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 2wls_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.021 0.000 1.382 1 E CA 0.000 56.417 56.400 0.028 0.000 0.976 1 E CB 0.000 29.718 29.700 0.030 0.000 0.812 2 G N -0.710 108.102 108.800 0.020 0.000 3.038 2 G HA2 -0.156 3.807 3.960 0.005 0.000 0.197 2 G HA3 -0.156 3.807 3.960 0.005 0.000 0.197 2 G C 1.060 175.970 174.900 0.016 0.000 1.925 2 G CA 0.930 46.039 45.100 0.016 0.000 1.405 2 G HN 0.819 nan 8.290 nan 0.000 0.524 3 R N 1.203 121.713 120.500 0.016 0.000 2.393 3 R HA 0.654 4.997 4.340 0.005 0.000 0.244 3 R C 0.740 177.051 176.300 0.018 0.000 0.920 3 R CA 1.333 57.442 56.100 0.015 0.000 1.076 3 R CB -0.415 29.892 30.300 0.011 0.000 1.119 3 R HN 0.650 nan 8.270 nan 0.000 0.524 4 E N 0.869 121.083 120.200 0.023 0.000 2.345 4 E HA 0.120 4.473 4.350 0.005 0.000 0.259 4 E C -0.956 175.666 176.600 0.037 0.000 1.117 4 E CA -0.800 55.617 56.400 0.028 0.000 0.913 4 E CB 0.790 30.510 29.700 0.033 0.000 1.057 4 E HN 0.329 nan 8.360 nan 0.000 0.432 5 D N 2.388 122.816 120.400 0.047 0.000 2.382 5 D HA -0.014 4.630 4.640 0.005 0.000 0.259 5 D C -1.527 174.814 176.300 0.068 0.000 1.224 5 D CA -1.722 52.319 54.000 0.069 0.000 0.894 5 D CB 0.900 41.760 40.800 0.100 0.000 1.127 5 D HN 0.131 nan 8.370 nan 0.000 0.487 6 P HA -0.140 nan 4.420 nan 0.000 0.222 6 P C 0.464 177.782 177.300 0.030 0.000 1.147 6 P CA 0.967 64.087 63.100 0.034 0.000 0.790 6 P CB 0.246 31.957 31.700 0.018 0.000 0.780 7 Q N -0.623 119.189 119.800 0.021 0.000 2.280 7 Q HA 0.210 4.553 4.340 0.005 0.000 0.202 7 Q C 1.328 177.382 176.000 0.090 0.000 0.903 7 Q CA 0.197 55.985 55.803 -0.026 0.000 0.948 7 Q CB 0.098 28.690 28.738 -0.244 0.000 1.058 7 Q HN 0.369 nan 8.270 nan 0.000 0.493 8 L N 0.505 121.815 121.223 0.146 0.000 3.016 8 L HA 0.314 4.657 4.340 0.005 0.000 0.267 8 L C -0.198 176.848 176.870 0.292 0.000 1.182 8 L CA -0.017 54.944 54.840 0.202 0.000 0.997 8 L CB 0.625 42.732 42.059 0.080 0.000 1.354 8 L HN 0.129 nan 8.230 nan 0.000 0.569 9 L N 0.805 122.152 121.223 0.207 0.000 2.287 9 L HA 0.615 4.958 4.340 0.005 0.000 0.287 9 L C -0.730 176.194 176.870 0.091 0.000 1.022 9 L CA -0.532 54.407 54.840 0.165 0.000 0.814 9 L CB 1.913 44.027 42.059 0.093 0.000 1.217 9 L HN -0.242 nan 8.230 nan 0.000 0.420 10 V N 3.229 123.172 119.914 0.049 0.000 2.971 10 V HA 0.487 4.610 4.120 0.005 0.000 0.309 10 V C -0.523 175.493 176.094 -0.130 0.000 1.130 10 V CA -0.722 61.468 62.300 -0.183 0.000 0.964 10 V CB 3.010 34.474 31.823 -0.599 0.000 1.029 10 V HN 0.753 nan 8.190 nan 0.000 0.427 11 R N 2.497 122.892 120.500 -0.176 0.000 2.460 11 R HA 0.850 5.194 4.340 0.005 0.000 0.303 11 R C -1.000 175.210 176.300 -0.151 0.000 0.968 11 R CA -0.324 55.712 56.100 -0.108 0.000 0.889 11 R CB 1.847 32.086 30.300 -0.102 0.000 1.123 11 R HN 0.696 nan 8.270 nan 0.000 0.455 12 V N 1.655 121.532 119.914 -0.062 0.000 3.126 12 V HA 0.491 4.614 4.120 0.005 0.000 0.314 12 V C 0.979 176.997 176.094 -0.127 0.000 1.138 12 V CA -1.075 61.186 62.300 -0.065 0.000 1.034 12 V CB 1.723 33.646 31.823 0.166 0.000 1.075 12 V HN 0.874 nan 8.190 nan 0.000 0.442 13 R N 1.606 122.017 120.500 -0.148 0.000 2.185 13 R HA -0.036 4.307 4.340 0.005 0.000 0.247 13 R C 1.624 177.799 176.300 -0.208 0.000 1.159 13 R CA 2.467 58.474 56.100 -0.155 0.000 0.988 13 R CB -0.977 29.244 30.300 -0.130 0.000 0.871 13 R HN 1.070 nan 8.270 nan 0.000 0.458 14 G N -2.129 106.498 108.800 -0.289 0.000 2.887 14 G HA2 0.437 4.400 3.960 0.005 0.000 0.211 14 G HA3 0.437 4.400 3.960 0.005 0.000 0.211 14 G C 0.247 174.229 174.900 -1.530 0.000 1.152 14 G CA 0.229 44.931 45.100 -0.663 0.000 0.769 14 G HN 0.694 nan 8.290 nan 0.000 0.541 15 G N -0.981 107.142 108.800 -1.128 0.000 2.362 15 G HA2 0.203 4.166 3.960 0.005 0.000 0.288 15 G HA3 0.203 4.166 3.960 0.005 0.000 0.288 15 G C -1.295 173.507 174.900 -0.164 0.000 1.305 15 G CA -0.989 43.535 45.100 -0.959 0.000 0.910 15 G HN 0.210 nan 8.290 nan 0.000 0.518 16 Q N -0.440 119.432 119.800 0.121 0.000 2.293 16 Q HA 0.636 4.979 4.340 0.005 0.000 0.251 16 Q C -0.471 175.817 176.000 0.479 0.000 0.930 16 Q CA 0.023 55.983 55.803 0.261 0.000 0.893 16 Q CB 1.528 30.365 28.738 0.165 0.000 1.215 16 Q HN 0.429 nan 8.270 nan 0.000 0.425 17 L N 1.592 123.022 121.223 0.344 0.000 2.370 17 L HA 0.599 4.943 4.340 0.005 0.000 0.266 17 L C -0.420 176.635 176.870 0.308 0.000 1.002 17 L CA -0.786 54.265 54.840 0.352 0.000 0.818 17 L CB 2.155 44.465 42.059 0.419 0.000 1.325 17 L HN 0.457 nan 8.230 nan 0.000 0.418 18 R N 0.938 121.592 120.500 0.257 0.000 2.360 18 R HA 0.623 4.966 4.340 0.005 0.000 0.318 18 R C -0.170 176.217 176.300 0.146 0.000 0.950 18 R CA -0.316 55.906 56.100 0.204 0.000 0.837 18 R CB 1.528 31.890 30.300 0.103 0.000 1.165 18 R HN 0.833 nan 8.270 nan 0.000 0.458 19 G N 3.430 112.263 108.800 0.055 0.000 2.509 19 G HA2 0.420 4.383 3.960 0.005 0.000 0.269 19 G HA3 0.420 4.383 3.960 0.005 0.000 0.269 19 G C -0.820 173.854 174.900 -0.376 0.000 1.416 19 G CA -0.650 44.129 45.100 -0.534 0.000 1.052 19 G HN 0.598 nan 8.290 nan 0.000 0.542 20 I N -1.194 119.094 120.570 -0.470 0.000 2.722 20 I HA 0.487 4.660 4.170 0.005 0.000 0.295 20 I C -0.438 175.542 176.117 -0.228 0.000 1.161 20 I CA -1.067 60.072 61.300 -0.269 0.000 1.032 20 I CB 2.231 40.090 38.000 -0.236 0.000 1.244 20 I HN 0.412 nan 8.210 nan 0.000 0.421 21 R N 7.594 127.991 120.500 -0.171 0.000 2.216 21 R HA 0.542 4.885 4.340 0.005 0.000 0.332 21 R C -1.614 174.559 176.300 -0.210 0.000 1.056 21 R CA -0.398 55.560 56.100 -0.236 0.000 0.901 21 R CB 0.533 30.615 30.300 -0.363 0.000 1.039 21 R HN 0.610 nan 8.270 nan 0.000 0.456 22 L N 3.708 124.829 121.223 -0.171 0.000 2.331 22 L HA 0.448 4.791 4.340 0.005 0.000 0.275 22 L C 0.188 176.976 176.870 -0.137 0.000 1.022 22 L CA -1.149 53.617 54.840 -0.124 0.000 0.812 22 L CB 1.541 43.566 42.059 -0.056 0.000 1.257 22 L HN 0.335 nan 8.230 nan 0.000 0.435 23 K N 1.988 122.317 120.400 -0.118 0.000 2.276 23 K HA 0.630 4.953 4.320 0.005 0.000 0.283 23 K C -0.533 175.992 176.600 -0.125 0.000 1.044 23 K CA -0.070 56.153 56.287 -0.108 0.000 0.944 23 K CB 1.574 34.027 32.500 -0.079 0.000 1.012 23 K HN 0.724 nan 8.250 nan 0.000 0.472 24 A N 4.783 127.534 122.820 -0.115 0.000 2.413 24 A HA 0.559 4.882 4.320 0.005 0.000 0.307 24 A C -1.932 175.640 177.584 -0.021 0.000 1.087 24 A CA -1.516 50.439 52.037 -0.137 0.000 0.750 24 A CB 1.117 20.001 19.000 -0.193 0.000 1.296 24 A HN 0.371 nan 8.150 nan 0.000 0.423 25 P HA -0.181 nan 4.420 nan 0.000 0.218 25 P C 1.317 178.644 177.300 0.045 0.000 1.154 25 P CA 2.382 65.527 63.100 0.075 0.000 0.872 25 P CB 0.242 32.020 31.700 0.131 0.000 0.790 26 G N -2.510 106.318 108.800 0.047 0.000 3.141 26 G HA2 0.457 4.420 3.960 0.005 0.000 0.218 26 G HA3 0.457 4.420 3.960 0.005 0.000 0.218 26 G C 0.487 175.401 174.900 0.023 0.000 1.170 26 G CA 0.437 45.558 45.100 0.035 0.000 0.769 26 G HN 0.638 nan 8.290 nan 0.000 0.546 27 G N -0.685 108.119 108.800 0.006 0.000 2.369 27 G HA2 0.308 4.271 3.960 0.005 0.000 0.307 27 G HA3 0.308 4.271 3.960 0.005 0.000 0.307 27 G C -3.446 171.434 174.900 -0.033 0.000 1.327 27 G CA -0.889 44.209 45.100 -0.004 0.000 0.963 27 G HN 0.049 nan 8.290 nan 0.000 0.590 28 P HA 0.518 nan 4.420 nan 0.000 0.274 28 P C 0.053 177.329 177.300 -0.040 0.000 1.231 28 P CA -0.379 62.629 63.100 -0.154 0.000 0.790 28 P CB 1.490 32.949 31.700 -0.403 0.000 0.951 29 V N -1.384 118.506 119.914 -0.040 0.000 2.914 29 V HA 0.650 4.773 4.120 0.005 0.000 0.314 29 V C -0.418 175.760 176.094 0.140 0.000 1.084 29 V CA -0.813 61.557 62.300 0.117 0.000 0.963 29 V CB 1.977 33.878 31.823 0.131 0.000 1.025 29 V HN 0.361 nan 8.190 nan 0.000 0.432 30 S N 2.165 118.032 115.700 0.278 0.000 2.513 30 S HA 0.812 5.286 4.470 0.005 0.000 0.276 30 S C 0.080 174.694 174.600 0.024 0.000 1.254 30 S CA 0.116 58.432 58.200 0.193 0.000 1.053 30 S CB 1.021 64.439 63.200 0.363 0.000 0.958 30 S HN 1.578 nan 8.310 nan 0.000 0.491 31 A N 3.002 125.631 122.820 -0.318 0.000 2.374 31 A HA 0.797 5.121 4.320 0.005 0.000 0.305 31 A C -1.275 175.877 177.584 -0.719 0.000 1.053 31 A CA -0.639 51.123 52.037 -0.458 0.000 0.726 31 A CB 0.590 19.326 19.000 -0.439 0.000 1.229 31 A HN 0.668 nan 8.150 nan 0.000 0.431 32 F N 2.613 122.386 119.950 -0.295 0.000 2.434 32 F HA 0.520 5.050 4.527 0.005 0.000 0.355 32 F C -0.251 175.354 175.800 -0.325 0.000 1.115 32 F CA -0.358 57.538 58.000 -0.173 0.000 1.010 32 F CB 1.461 40.498 39.000 0.063 0.000 1.234 32 F HN 0.354 nan 8.300 nan 0.000 0.439 33 L N 2.181 123.258 121.223 -0.243 0.000 2.334 33 L HA 0.745 5.088 4.340 0.005 0.000 0.276 33 L C 0.878 177.650 176.870 -0.164 0.000 1.014 33 L CA -1.025 53.607 54.840 -0.347 0.000 0.815 33 L CB 1.800 43.440 42.059 -0.699 0.000 1.268 33 L HN 0.828 nan 8.230 nan 0.000 0.428 34 G N 2.763 111.528 108.800 -0.058 0.000 2.160 34 G HA2 -0.252 3.711 3.960 0.005 0.000 0.244 34 G HA3 -0.252 3.711 3.960 0.005 0.000 0.244 34 G C 0.013 174.980 174.900 0.113 0.000 1.022 34 G CA -0.357 44.732 45.100 -0.017 0.000 0.741 34 G HN 0.507 nan 8.290 nan 0.000 0.508 35 I N 1.616 122.247 120.570 0.101 0.000 2.581 35 I HA 0.185 4.358 4.170 0.005 0.000 0.285 35 I C -1.655 174.543 176.117 0.136 0.000 1.129 35 I CA -1.794 59.565 61.300 0.098 0.000 1.397 35 I CB 0.629 38.650 38.000 0.034 0.000 1.399 35 I HN -0.064 nan 8.210 nan 0.000 0.537 36 P HA 0.049 nan 4.420 nan 0.000 0.276 36 P C -0.188 177.082 177.300 -0.051 0.000 1.230 36 P CA 0.025 63.009 63.100 -0.193 0.000 0.776 36 P CB 0.318 31.904 31.700 -0.189 0.000 0.888 37 F N 0.690 120.487 119.950 -0.254 0.000 2.781 37 F HA 0.790 5.321 4.527 0.006 0.000 0.322 37 F C -0.112 175.673 175.800 -0.025 0.000 1.108 37 F CA -0.735 57.174 58.000 -0.152 0.000 1.179 37 F CB 0.197 38.964 39.000 -0.388 0.000 1.072 37 F HN 0.320 nan 8.300 nan 0.000 0.545 38 A N 0.000 122.509 122.820 -0.518 0.000 2.612 38 A HA 0.560 4.883 4.320 0.005 0.000 0.293 38 A C -1.031 176.373 177.584 -0.300 0.000 1.075 38 A CA -0.773 51.037 52.037 -0.380 0.000 0.680 38 A CB 0.991 19.653 19.000 -0.564 0.000 1.279 38 A HN 0.058 nan 8.150 nan 0.000 0.411 39 E N 1.430 121.534 120.200 -0.159 0.000 2.415 39 E HA 0.234 4.587 4.350 0.005 0.000 0.263 39 E C -2.303 174.196 176.600 -0.169 0.000 0.995 39 E CA -1.309 55.019 56.400 -0.120 0.000 0.915 39 E CB 0.044 29.710 29.700 -0.056 0.000 0.951 39 E HN 0.249 nan 8.360 nan 0.000 0.449 40 P HA -0.037 nan 4.420 nan 0.000 0.256 40 P C -2.164 175.067 177.300 -0.116 0.000 1.173 40 P CA -0.557 62.457 63.100 -0.143 0.000 0.768 40 P CB -0.074 31.578 31.700 -0.080 0.000 0.758 41 P HA 0.002 nan 4.420 nan 0.000 0.228 41 P C -0.152 177.082 177.300 -0.111 0.000 1.748 41 P CA 0.108 63.143 63.100 -0.108 0.000 0.909 41 P CB -0.077 31.558 31.700 -0.109 0.000 1.882 42 V N -3.224 116.633 119.914 -0.095 0.000 3.193 42 V HA 0.884 5.007 4.120 0.005 0.000 0.320 42 V C 1.008 177.055 176.094 -0.078 0.000 1.112 42 V CA 0.162 62.404 62.300 -0.097 0.000 1.026 42 V CB 0.686 32.462 31.823 -0.079 0.000 1.128 42 V HN 0.501 nan 8.190 nan 0.000 0.452 43 G N 2.130 110.885 108.800 -0.075 0.000 2.622 43 G HA2 -0.354 3.610 3.960 0.005 0.000 0.307 43 G HA3 -0.354 3.610 3.960 0.005 0.000 0.307 43 G C 1.227 176.099 174.900 -0.047 0.000 1.226 43 G CA 1.772 46.841 45.100 -0.051 0.000 0.997 43 G HN 2.411 nan 8.290 nan 0.000 0.551 44 S N 0.438 116.124 115.700 -0.024 0.000 2.547 44 S HA 0.062 4.535 4.470 0.005 0.000 0.235 44 S C 1.867 176.461 174.600 -0.009 0.000 0.980 44 S CA 1.547 59.744 58.200 -0.006 0.000 0.941 44 S CB -0.038 63.164 63.200 0.004 0.000 0.763 44 S HN 0.654 nan 8.310 nan 0.000 0.532 45 R N 0.779 121.258 120.500 -0.035 0.000 2.317 45 R HA 0.229 4.572 4.340 0.005 0.000 0.208 45 R C 0.890 177.144 176.300 -0.077 0.000 0.914 45 R CA -0.229 55.848 56.100 -0.038 0.000 1.060 45 R CB -0.006 30.269 30.300 -0.042 0.000 1.015 45 R HN 0.455 nan 8.270 nan 0.000 0.498 46 R N 0.825 121.235 120.500 -0.150 0.000 2.585 46 R HA -0.139 4.204 4.340 0.005 0.000 0.275 46 R C -0.245 175.850 176.300 -0.342 0.000 1.018 46 R CA 0.636 56.521 56.100 -0.358 0.000 1.072 46 R CB 0.132 30.103 30.300 -0.549 0.000 0.953 46 R HN 0.080 nan 8.270 nan 0.000 0.419 47 F N -0.861 119.094 119.950 0.010 0.000 2.666 47 F HA -0.315 4.215 4.527 0.005 0.000 0.458 47 F C 0.253 176.034 175.800 -0.032 0.000 0.561 47 F CA 0.710 58.689 58.000 -0.034 0.000 1.129 47 F CB -1.438 37.532 39.000 -0.051 0.000 1.751 47 F HN 0.446 nan 8.300 nan 0.000 0.275 48 M N 1.516 121.173 119.600 0.096 0.000 2.255 48 M HA 0.342 4.826 4.480 0.005 0.000 0.336 48 M C -1.851 174.467 176.300 0.030 0.000 1.135 48 M CA -1.408 53.928 55.300 0.060 0.000 1.145 48 M CB 0.179 32.802 32.600 0.038 0.000 1.473 48 M HN -0.334 nan 8.290 nan 0.000 0.462 49 P HA 0.097 nan 4.420 nan 0.000 0.266 49 P C -2.409 174.906 177.300 0.025 0.000 1.193 49 P CA -0.476 62.645 63.100 0.035 0.000 0.770 49 P CB -0.522 31.210 31.700 0.052 0.000 0.836 50 P HA 0.188 nan 4.420 nan 0.000 0.275 50 P C -0.683 176.632 177.300 0.024 0.000 1.227 50 P CA 0.088 63.193 63.100 0.008 0.000 0.781 50 P CB 0.653 32.371 31.700 0.032 0.000 0.906 51 E N 3.438 123.638 120.200 0.000 0.000 2.179 51 E HA 0.349 4.702 4.350 0.005 0.000 0.275 51 E C -2.276 174.336 176.600 0.021 0.000 0.945 51 E CA -2.392 54.020 56.400 0.020 0.000 0.792 51 E CB 0.388 30.095 29.700 0.012 0.000 1.125 51 E HN 0.337 nan 8.360 nan 0.000 0.397 52 P HA -0.138 nan 4.420 nan 0.000 0.264 52 P C -0.646 176.701 177.300 0.079 0.000 1.179 52 P CA 0.123 63.285 63.100 0.103 0.000 0.763 52 P CB 0.391 32.160 31.700 0.115 0.000 0.806 53 K N 3.736 124.203 120.400 0.112 0.000 2.416 53 K HA 0.051 4.374 4.320 0.005 0.000 0.283 53 K C -0.109 176.582 176.600 0.151 0.000 1.037 53 K CA 0.333 56.692 56.287 0.119 0.000 0.995 53 K CB 0.097 32.712 32.500 0.192 0.000 0.938 53 K HN 0.225 nan 8.250 nan 0.000 0.475 54 R N 5.462 126.036 120.500 0.124 0.000 2.442 54 R HA 0.181 4.525 4.340 0.005 0.000 0.291 54 R C -2.024 174.367 176.300 0.151 0.000 1.069 54 R CA -1.560 54.603 56.100 0.106 0.000 1.022 54 R CB 0.271 30.618 30.300 0.078 0.000 0.976 54 R HN 0.582 nan 8.270 nan 0.000 0.443 55 P HA -0.120 nan 4.420 nan 0.000 0.264 55 P C -1.142 176.181 177.300 0.039 0.000 1.179 55 P CA 0.221 63.261 63.100 -0.100 0.000 0.763 55 P CB 0.291 31.897 31.700 -0.156 0.000 0.806 56 W N 1.157 122.489 121.300 0.053 0.000 2.703 56 W HA 0.712 5.376 4.660 0.005 0.000 0.359 56 W C -0.822 175.722 176.519 0.041 0.000 1.168 56 W CA -0.943 56.431 57.345 0.047 0.000 1.177 56 W CB 0.032 29.528 29.460 0.059 0.000 1.434 56 W HN 0.360 nan 8.180 nan 0.000 0.618 57 S N 0.877 116.770 115.700 0.321 0.000 2.537 57 S HA 0.861 5.334 4.470 0.005 0.000 0.301 57 S C 0.190 174.959 174.600 0.282 0.000 1.092 57 S CA -0.173 58.138 58.200 0.185 0.000 1.048 57 S CB 1.029 64.296 63.200 0.111 0.000 1.053 57 S HN 2.108 nan 8.310 nan 0.000 0.501 58 G N 0.285 109.202 108.800 0.195 0.000 2.741 58 G HA2 -0.108 3.855 3.960 0.005 0.000 0.222 58 G HA3 -0.108 3.855 3.960 0.005 0.000 0.222 58 G C -0.812 174.259 174.900 0.286 0.000 1.364 58 G CA -0.467 44.747 45.100 0.189 0.000 0.866 58 G HN 1.577 nan 8.290 nan 0.000 0.555 59 V N 0.995 121.034 119.914 0.208 0.000 2.368 59 V HA 0.465 4.589 4.120 0.005 0.000 0.266 59 V C 1.029 177.219 176.094 0.160 0.000 1.045 59 V CA -0.128 62.304 62.300 0.221 0.000 0.899 59 V CB 1.046 32.954 31.823 0.142 0.000 1.006 59 V HN 0.806 nan 8.190 nan 0.000 0.470 60 L N 5.094 126.417 121.223 0.166 0.000 2.410 60 L HA 0.250 4.594 4.340 0.005 0.000 0.273 60 L C 0.689 177.550 176.870 -0.016 0.000 1.144 60 L CA 0.131 54.907 54.840 -0.107 0.000 0.863 60 L CB 0.532 42.267 42.059 -0.541 0.000 1.140 60 L HN 0.691 nan 8.230 nan 0.000 0.463 61 D N 4.941 125.311 120.400 -0.049 0.000 2.371 61 D HA 0.118 4.761 4.640 0.005 0.000 0.256 61 D C -0.305 175.963 176.300 -0.053 0.000 1.193 61 D CA 0.133 54.113 54.000 -0.033 0.000 0.881 61 D CB 1.514 42.283 40.800 -0.051 0.000 1.143 61 D HN 0.681 nan 8.370 nan 0.000 0.473 62 A N 3.168 125.979 122.820 -0.014 0.000 2.985 62 A HA 0.192 4.515 4.320 0.005 0.000 0.303 62 A C 1.009 178.513 177.584 -0.132 0.000 1.048 62 A CA -0.367 51.653 52.037 -0.027 0.000 1.016 62 A CB -0.132 18.955 19.000 0.146 0.000 1.118 62 A HN 0.582 nan 8.150 nan 0.000 0.529 63 T N -3.129 111.328 114.554 -0.162 0.000 3.040 63 T HA 0.259 4.612 4.350 0.005 0.000 0.250 63 T C 0.734 175.279 174.700 -0.259 0.000 1.058 63 T CA 0.798 62.771 62.100 -0.211 0.000 0.988 63 T CB -0.228 68.549 68.868 -0.151 0.000 0.993 63 T HN 0.736 nan 8.240 nan 0.000 0.519 64 T N -0.676 113.721 114.554 -0.261 0.000 2.896 64 T HA 0.689 5.042 4.350 0.005 0.000 0.297 64 T C -0.811 173.716 174.700 -0.288 0.000 1.108 64 T CA -0.941 60.993 62.100 -0.277 0.000 1.004 64 T CB 1.056 69.835 68.868 -0.147 0.000 1.159 64 T HN -0.007 nan 8.240 nan 0.000 0.499 65 F N 1.903 121.794 119.950 -0.098 0.000 2.506 65 F HA 0.363 4.893 4.527 0.005 0.000 0.351 65 F C 1.444 177.148 175.800 -0.160 0.000 1.136 65 F CA -0.112 57.830 58.000 -0.098 0.000 1.298 65 F CB 0.495 39.469 39.000 -0.043 0.000 1.145 65 F HN 0.487 nan 8.300 nan 0.000 0.593 66 Q N 1.067 120.874 119.800 0.013 0.000 2.199 66 Q HA 0.232 4.576 4.340 0.005 0.000 0.205 66 Q C -0.252 175.661 176.000 -0.145 0.000 1.001 66 Q CA -0.794 54.852 55.803 -0.262 0.000 1.019 66 Q CB 0.551 28.841 28.738 -0.748 0.000 1.132 66 Q HN 0.510 nan 8.270 nan 0.000 0.530 67 N N -0.158 118.422 118.700 -0.200 0.000 2.345 67 N HA -0.028 4.716 4.740 0.005 0.000 0.243 67 N C -0.575 174.916 175.510 -0.031 0.000 1.246 67 N CA 0.232 53.229 53.050 -0.088 0.000 0.863 67 N CB 0.324 38.779 38.487 -0.053 0.000 1.096 67 N HN 0.167 nan 8.380 nan 0.000 0.446 68 V N 1.991 121.865 119.914 -0.067 0.000 2.509 68 V HA 0.086 4.210 4.120 0.005 0.000 0.284 68 V C 0.590 176.635 176.094 -0.082 0.000 1.047 68 V CA -0.862 61.391 62.300 -0.079 0.000 0.952 68 V CB 1.181 32.922 31.823 -0.137 0.000 0.988 68 V HN 0.723 nan 8.190 nan 0.000 0.469 69 c N 4.661 123.233 118.600 -0.047 0.000 2.611 69 c HA 0.051 4.625 4.570 0.005 0.000 0.416 69 c C 0.552 174.599 174.090 -0.073 0.000 1.366 69 c CA -0.478 55.826 56.329 -0.041 0.000 1.761 69 c CB -1.248 41.265 42.510 0.004 0.000 2.619 69 c HN 0.750 nan 8.230 nan 0.000 0.606 70 Y N 4.235 124.404 120.300 -0.218 0.000 2.810 70 Y HA 0.192 4.746 4.550 0.005 0.000 0.332 70 Y C 0.832 176.743 175.900 0.018 0.000 1.243 70 Y CA 1.136 59.108 58.100 -0.213 0.000 1.537 70 Y CB 0.171 38.295 38.460 -0.561 0.000 1.265 70 Y HN 0.764 nan 8.280 nan 0.000 0.572 71 Q N 3.944 123.807 119.800 0.103 0.000 2.687 71 Q HA 0.196 4.539 4.340 0.005 0.000 0.295 71 Q C -1.840 174.339 176.000 0.300 0.000 0.920 71 Q CA -1.212 54.770 55.803 0.298 0.000 0.766 71 Q CB 1.080 29.935 28.738 0.195 0.000 1.467 71 Q HN 0.638 nan 8.270 nan 0.000 0.415 72 Y N 1.148 121.650 120.300 0.336 0.000 2.610 72 Y HA 0.348 4.901 4.550 0.005 0.000 0.332 72 Y C -0.981 175.090 175.900 0.284 0.000 1.201 72 Y CA 0.416 58.729 58.100 0.354 0.000 1.465 72 Y CB 0.848 39.627 38.460 0.532 0.000 1.283 72 Y HN 0.423 nan 8.280 nan 0.000 0.563 73 V N 6.639 126.240 119.914 -0.521 0.000 2.459 73 V HA 0.129 4.252 4.120 0.005 0.000 0.295 73 V C -0.492 175.305 176.094 -0.495 0.000 1.029 73 V CA -1.101 61.003 62.300 -0.327 0.000 0.874 73 V CB 1.600 33.302 31.823 -0.202 0.000 0.985 73 V HN 0.790 nan 8.190 nan 0.000 0.438 74 D N 2.670 123.052 120.400 -0.030 0.000 2.424 74 D HA 0.276 4.919 4.640 0.005 0.000 0.244 74 D C 1.020 177.377 176.300 0.095 0.000 1.134 74 D CA 0.653 54.764 54.000 0.185 0.000 0.881 74 D CB 1.272 42.310 40.800 0.397 0.000 1.191 74 D HN 0.800 nan 8.370 nan 0.000 0.445 75 T N 0.769 115.396 114.554 0.121 0.000 3.043 75 T HA 0.009 4.363 4.350 0.005 0.000 0.272 75 T C 1.590 176.305 174.700 0.025 0.000 0.990 75 T CA -0.419 61.715 62.100 0.055 0.000 0.897 75 T CB -0.113 68.768 68.868 0.022 0.000 1.111 75 T HN 0.280 nan 8.240 nan 0.000 0.529 76 L N 0.896 122.138 121.223 0.031 0.000 2.013 76 L HA 0.081 4.424 4.340 0.005 0.000 0.212 76 L C -0.181 176.402 176.870 -0.478 0.000 1.073 76 L CA 1.735 56.412 54.840 -0.272 0.000 0.753 76 L CB -0.435 41.385 42.059 -0.398 0.000 0.890 76 L HN 0.454 nan 8.230 nan 0.000 0.432 77 Y N -0.906 119.426 120.300 0.054 0.000 2.592 77 Y HA 0.393 4.946 4.550 0.005 0.000 0.354 77 Y C -2.216 173.730 175.900 0.076 0.000 1.063 77 Y CA -3.205 54.910 58.100 0.025 0.000 1.205 77 Y CB -0.061 38.398 38.460 -0.002 0.000 1.106 77 Y HN 0.019 nan 8.280 nan 0.000 0.649 78 P HA 0.006 nan 4.420 nan 0.000 0.257 78 P C 1.067 178.430 177.300 0.105 0.000 1.162 78 P CA 2.136 65.296 63.100 0.099 0.000 0.762 78 P CB 0.501 32.232 31.700 0.051 0.000 0.753 79 G N 2.854 111.701 108.800 0.078 0.000 2.212 79 G HA2 -0.311 3.652 3.960 0.005 0.000 0.266 79 G HA3 -0.311 3.652 3.960 0.005 0.000 0.266 79 G C 0.089 175.026 174.900 0.061 0.000 0.978 79 G CA -0.301 44.825 45.100 0.043 0.000 0.632 79 G HN 0.555 nan 8.290 nan 0.000 0.537 80 F N 2.297 122.205 119.950 -0.071 0.000 2.506 80 F HA 0.555 5.085 4.527 0.005 0.000 0.371 80 F C 1.395 177.086 175.800 -0.182 0.000 1.078 80 F CA -0.430 57.468 58.000 -0.169 0.000 1.195 80 F CB 1.149 40.007 39.000 -0.236 0.000 1.099 80 F HN 0.187 nan 8.300 nan 0.000 0.548 81 E N 4.217 124.021 120.200 -0.660 0.000 2.097 81 E HA -0.135 4.219 4.350 0.005 0.000 0.196 81 E C 2.248 178.352 176.600 -0.826 0.000 1.000 81 E CA 2.033 58.055 56.400 -0.630 0.000 0.804 81 E CB -0.576 28.820 29.700 -0.507 0.000 0.740 81 E HN 0.905 nan 8.360 nan 0.000 0.454 82 G N -0.920 106.854 108.800 -1.710 0.000 2.442 82 G HA2 -0.321 3.643 3.960 0.005 0.000 0.219 82 G HA3 -0.321 3.643 3.960 0.005 0.000 0.219 82 G C 1.708 176.565 174.900 -0.072 0.000 1.141 82 G CA 1.788 46.178 45.100 -1.183 0.000 0.763 82 G HN 0.503 nan 8.290 nan 0.000 0.554 83 T N -1.892 112.606 114.554 -0.093 0.000 3.033 83 T HA 0.125 4.478 4.350 0.005 0.000 0.248 83 T C 1.930 176.767 174.700 0.229 0.000 1.040 83 T CA 0.861 63.222 62.100 0.435 0.000 1.133 83 T CB 0.021 69.221 68.868 0.553 0.000 0.895 83 T HN 0.124 nan 8.240 nan 0.000 0.465 84 E N 2.307 122.503 120.200 -0.008 0.000 2.204 84 E HA -0.100 4.254 4.350 0.005 0.000 0.195 84 E C 2.238 178.738 176.600 -0.166 0.000 0.990 84 E CA 1.281 57.645 56.400 -0.060 0.000 0.821 84 E CB -0.518 29.119 29.700 -0.105 0.000 0.750 84 E HN 0.799 nan 8.360 nan 0.000 0.477 85 M N -2.340 117.061 119.600 -0.332 0.000 2.358 85 M HA -0.071 4.412 4.480 0.005 0.000 0.264 85 M C 1.277 177.186 176.300 -0.651 0.000 1.064 85 M CA 1.400 56.352 55.300 -0.579 0.000 1.093 85 M CB -0.531 31.577 32.600 -0.821 0.000 1.401 85 M HN 0.009 nan 8.290 nan 0.000 0.440 86 W N 0.938 122.176 121.300 -0.104 0.000 3.114 86 W HA 0.280 4.943 4.660 0.005 0.000 0.279 86 W C 0.401 176.852 176.519 -0.113 0.000 1.277 86 W CA -0.987 56.283 57.345 -0.126 0.000 1.630 86 W CB -0.133 29.304 29.460 -0.039 0.000 1.087 86 W HN 0.104 nan 8.180 nan 0.000 0.637 87 N N 1.660 120.407 118.700 0.077 0.000 2.482 87 N HA 0.114 4.857 4.740 0.005 0.000 0.260 87 N C -2.348 173.122 175.510 -0.067 0.000 1.236 87 N CA -1.379 51.686 53.050 0.025 0.000 0.938 87 N CB -0.109 38.388 38.487 0.017 0.000 1.128 87 N HN -0.323 nan 8.380 nan 0.000 0.448 88 P HA 0.024 nan 4.420 nan 0.000 0.265 88 P C 0.209 177.431 177.300 -0.130 0.000 1.187 88 P CA 0.200 63.223 63.100 -0.129 0.000 0.766 88 P CB 0.347 31.966 31.700 -0.135 0.000 0.820 89 N N 1.868 120.479 118.700 -0.149 0.000 2.241 89 N HA 0.108 4.851 4.740 0.005 0.000 0.238 89 N C 0.019 175.464 175.510 -0.107 0.000 1.244 89 N CA -0.152 52.818 53.050 -0.134 0.000 0.880 89 N CB 0.701 39.090 38.487 -0.163 0.000 1.179 89 N HN 0.284 nan 8.380 nan 0.000 0.513 90 R N -0.364 120.071 120.500 -0.109 0.000 2.795 90 R HA 0.259 4.603 4.340 0.005 0.000 0.268 90 R C -0.915 175.323 176.300 -0.102 0.000 1.041 90 R CA -0.818 55.230 56.100 -0.087 0.000 0.927 90 R CB 1.576 31.836 30.300 -0.066 0.000 1.235 90 R HN 0.149 nan 8.270 nan 0.000 0.463 91 E N 1.796 121.941 120.200 -0.091 0.000 2.502 91 E HA -0.031 4.323 4.350 0.005 0.000 0.261 91 E C -0.657 175.862 176.600 -0.134 0.000 0.974 91 E CA 0.065 56.404 56.400 -0.100 0.000 0.936 91 E CB 0.555 30.211 29.700 -0.074 0.000 0.926 91 E HN 0.274 nan 8.360 nan 0.000 0.459 92 L N 3.419 124.520 121.223 -0.203 0.000 2.380 92 L HA 0.214 4.558 4.340 0.005 0.000 0.273 92 L C 0.387 177.156 176.870 -0.168 0.000 1.138 92 L CA 0.100 54.740 54.840 -0.334 0.000 0.832 92 L CB 1.108 42.715 42.059 -0.755 0.000 1.124 92 L HN 0.451 nan 8.230 nan 0.000 0.454 93 S N 0.917 116.576 115.700 -0.068 0.000 2.552 93 S HA 0.188 4.662 4.470 0.005 0.000 0.272 93 S C 0.175 174.784 174.600 0.016 0.000 1.150 93 S CA -0.662 57.578 58.200 0.067 0.000 0.849 93 S CB 1.632 64.842 63.200 0.016 0.000 1.113 93 S HN 0.745 nan 8.310 nan 0.000 0.458 94 E N 0.825 120.993 120.200 -0.053 0.000 2.285 94 E HA -0.039 4.314 4.350 0.005 0.000 0.194 94 E C -0.372 176.165 176.600 -0.105 0.000 0.997 94 E CA 0.459 56.741 56.400 -0.196 0.000 0.845 94 E CB 0.145 29.673 29.700 -0.286 0.000 0.782 94 E HN 0.537 nan 8.360 nan 0.000 0.491 95 D N 0.060 120.439 120.400 -0.036 0.000 2.422 95 D HA 0.007 4.650 4.640 0.005 0.000 0.227 95 D C 0.037 176.426 176.300 0.147 0.000 1.190 95 D CA -0.315 53.697 54.000 0.021 0.000 0.905 95 D CB 0.244 41.072 40.800 0.047 0.000 1.034 95 D HN 0.131 nan 8.370 nan 0.000 0.507 96 c N 2.715 121.389 118.600 0.124 0.000 4.150 96 c HA 0.315 4.889 4.570 0.005 0.000 0.330 96 c C 0.518 174.726 174.090 0.197 0.000 1.905 96 c CA -0.625 55.846 56.329 0.237 0.000 1.724 96 c CB -1.208 41.354 42.510 0.088 0.000 3.096 96 c HN 0.468 nan 8.230 nan 0.000 0.601 97 L N 2.574 123.665 121.223 -0.219 0.000 2.415 97 L HA 0.382 4.725 4.340 0.005 0.000 0.269 97 L C -0.912 175.512 176.870 -0.744 0.000 1.244 97 L CA 0.645 55.185 54.840 -0.500 0.000 1.113 97 L CB -0.779 40.771 42.059 -0.848 0.000 1.352 97 L HN 0.396 nan 8.230 nan 0.000 0.433 98 Y N 1.942 122.335 120.300 0.155 0.000 2.545 98 Y HA 0.632 5.186 4.550 0.005 0.000 0.348 98 Y C -0.057 176.043 175.900 0.334 0.000 1.002 98 Y CA -1.259 56.967 58.100 0.210 0.000 1.039 98 Y CB 1.988 40.486 38.460 0.065 0.000 1.271 98 Y HN 0.206 nan 8.280 nan 0.000 0.467 99 L N -0.167 121.212 121.223 0.261 0.000 2.279 99 L HA 0.777 5.120 4.340 0.005 0.000 0.262 99 L C -1.119 175.738 176.870 -0.022 0.000 1.019 99 L CA -1.107 53.740 54.840 0.013 0.000 0.823 99 L CB 1.530 43.369 42.059 -0.367 0.000 1.358 99 L HN 0.476 nan 8.230 nan 0.000 0.432 100 N N -0.182 118.505 118.700 -0.021 0.000 2.240 100 N HA 0.704 5.447 4.740 0.005 0.000 0.302 100 N C -1.543 173.845 175.510 -0.203 0.000 1.106 100 N CA -0.450 52.502 53.050 -0.163 0.000 0.778 100 N CB 2.903 41.283 38.487 -0.179 0.000 1.431 100 N HN 0.464 nan 8.380 nan 0.000 0.479 101 V N 1.333 121.050 119.914 -0.328 0.000 2.588 101 V HA 0.476 4.599 4.120 0.005 0.000 0.304 101 V C -0.834 175.158 176.094 -0.169 0.000 1.042 101 V CA -0.738 61.456 62.300 -0.178 0.000 0.877 101 V CB 2.256 33.842 31.823 -0.395 0.000 0.996 101 V HN 0.555 nan 8.190 nan 0.000 0.425 102 W N 2.955 124.342 121.300 0.145 0.000 2.587 102 W HA 0.681 5.345 4.660 0.006 0.000 0.324 102 W C 0.091 176.711 176.519 0.169 0.000 1.040 102 W CA -0.439 57.000 57.345 0.157 0.000 1.222 102 W CB 2.458 31.998 29.460 0.132 0.000 1.381 102 W HN 0.664 nan 8.180 nan 0.000 0.483 103 T N 0.223 115.021 114.554 0.406 0.000 2.883 103 T HA 0.545 4.898 4.350 0.005 0.000 0.296 103 T C -2.816 172.055 174.700 0.285 0.000 1.117 103 T CA -2.388 59.907 62.100 0.325 0.000 1.006 103 T CB 2.348 71.428 68.868 0.354 0.000 1.191 103 T HN -0.099 nan 8.240 nan 0.000 0.508 104 P HA 0.212 nan 4.420 nan 0.000 0.271 104 P C -1.541 175.904 177.300 0.243 0.000 1.238 104 P CA -0.153 63.065 63.100 0.196 0.000 0.794 104 P CB 0.111 31.895 31.700 0.141 0.000 0.959 105 Y N 1.459 121.812 120.300 0.088 0.000 2.346 105 Y HA 0.416 4.970 4.550 0.005 0.000 0.332 105 Y C -2.264 173.670 175.900 0.056 0.000 0.985 105 Y CA -2.314 55.831 58.100 0.076 0.000 1.112 105 Y CB 1.245 39.738 38.460 0.054 0.000 1.170 105 Y HN 0.328 nan 8.280 nan 0.000 0.447 106 P HA 0.269 nan 4.420 nan 0.000 0.274 106 P C -0.923 176.318 177.300 -0.098 0.000 1.256 106 P CA -0.477 62.365 63.100 -0.430 0.000 0.795 106 P CB 1.144 32.640 31.700 -0.340 0.000 1.038 107 R N 0.753 121.222 120.500 -0.053 0.000 2.698 107 R HA 0.130 4.474 4.340 0.005 0.000 0.266 107 R C -1.595 174.730 176.300 0.041 0.000 1.026 107 R CA -0.960 55.177 56.100 0.061 0.000 1.102 107 R CB -0.924 29.431 30.300 0.092 0.000 0.978 107 R HN 0.481 nan 8.270 nan 0.000 0.436 108 P HA -0.084 nan 4.420 nan 0.000 0.267 108 P C -0.183 177.135 177.300 0.030 0.000 1.200 108 P CA 0.201 63.332 63.100 0.052 0.000 0.772 108 P CB 0.732 32.473 31.700 0.069 0.000 0.855 109 A N 3.240 126.073 122.820 0.020 0.000 1.832 109 A HA -0.020 4.303 4.320 0.005 0.000 0.214 109 A C 1.211 178.799 177.584 0.008 0.000 1.204 109 A CA 1.628 53.670 52.037 0.009 0.000 0.606 109 A CB -1.260 17.744 19.000 0.007 0.000 0.849 109 A HN 0.724 nan 8.150 nan 0.000 0.445 110 S N -0.243 115.463 115.700 0.010 0.000 2.693 110 S HA 0.552 5.025 4.470 0.005 0.000 0.276 110 S C -2.951 171.658 174.600 0.014 0.000 1.192 110 S CA -1.621 56.583 58.200 0.007 0.000 0.994 110 S CB 0.410 63.611 63.200 0.003 0.000 1.012 110 S HN 0.126 nan 8.310 nan 0.000 0.550 111 P HA 0.225 nan 4.420 nan 0.000 0.265 111 P C -0.666 176.647 177.300 0.021 0.000 1.222 111 P CA 0.103 63.213 63.100 0.017 0.000 0.767 111 P CB 0.021 31.724 31.700 0.004 0.000 0.801 112 T N 5.913 120.491 114.554 0.041 0.000 2.882 112 T HA 0.357 4.711 4.350 0.005 0.000 0.287 112 T C -2.305 172.420 174.700 0.043 0.000 0.992 112 T CA -1.773 60.353 62.100 0.043 0.000 1.076 112 T CB 0.358 69.265 68.868 0.066 0.000 0.961 112 T HN 0.172 nan 8.240 nan 0.000 0.490 113 P HA 0.150 nan 4.420 nan 0.000 0.266 113 P C -0.895 176.440 177.300 0.058 0.000 1.195 113 P CA -0.244 62.870 63.100 0.023 0.000 0.768 113 P CB 0.359 32.056 31.700 -0.005 0.000 0.838 114 V N 4.804 124.769 119.914 0.084 0.000 2.435 114 V HA 0.313 4.437 4.120 0.005 0.000 0.290 114 V C 0.344 176.520 176.094 0.136 0.000 1.030 114 V CA -0.540 61.834 62.300 0.124 0.000 0.881 114 V CB 1.161 33.073 31.823 0.148 0.000 0.983 114 V HN 0.355 nan 8.190 nan 0.000 0.445 115 L N 5.689 127.002 121.223 0.149 0.000 2.309 115 L HA 0.602 4.946 4.340 0.005 0.000 0.282 115 L C -0.549 176.547 176.870 0.377 0.000 1.036 115 L CA -0.338 54.609 54.840 0.178 0.000 0.806 115 L CB 1.619 43.672 42.059 -0.008 0.000 1.220 115 L HN 0.487 nan 8.230 nan 0.000 0.429 116 I N 2.641 123.501 120.570 0.483 0.000 2.411 116 I HA 0.192 4.365 4.170 0.005 0.000 0.284 116 I C -0.634 175.777 176.117 0.491 0.000 1.012 116 I CA -0.392 61.169 61.300 0.435 0.000 1.119 116 I CB 1.344 39.469 38.000 0.209 0.000 1.261 116 I HN 0.637 nan 8.210 nan 0.000 0.448 117 W N 8.443 129.844 121.300 0.167 0.000 2.272 117 W HA 0.540 5.202 4.660 0.004 0.000 0.318 117 W C -1.386 174.994 176.519 -0.231 0.000 1.255 117 W CA -0.490 56.663 57.345 -0.319 0.000 1.200 117 W CB 1.094 30.437 29.460 -0.195 0.000 1.170 117 W HN 0.347 nan 8.180 nan 0.000 0.549 118 I N 9.042 128.897 120.570 -1.192 0.000 2.420 118 I HA 0.058 4.231 4.170 0.005 0.000 0.282 118 I C -0.339 174.867 176.117 -1.519 0.000 1.019 118 I CA -1.120 59.535 61.300 -1.076 0.000 1.130 118 I CB 0.717 38.291 38.000 -0.708 0.000 1.262 118 I HN 0.294 nan 8.210 nan 0.000 0.454 119 Y N 4.556 124.247 120.300 -1.014 0.000 2.550 119 Y HA 0.643 5.196 4.550 0.005 0.000 0.343 119 Y C 0.719 176.387 175.900 -0.387 0.000 1.245 119 Y CA -0.717 56.940 58.100 -0.739 0.000 1.462 119 Y CB -0.045 38.242 38.460 -0.289 0.000 1.340 119 Y HN 0.515 nan 8.280 nan 0.000 0.604 120 G N -0.740 108.029 108.800 -0.052 0.000 2.702 120 G HA2 0.514 4.477 3.960 0.005 0.000 0.254 120 G HA3 0.514 4.477 3.960 0.005 0.000 0.254 120 G C 0.170 174.979 174.900 -0.152 0.000 1.380 120 G CA -0.981 44.026 45.100 -0.155 0.000 1.042 120 G HN 1.718 nan 8.290 nan 0.000 0.557 121 G N -2.637 105.928 108.800 -0.392 0.000 2.321 121 G HA2 0.411 4.374 3.960 0.005 0.000 0.177 121 G HA3 0.411 4.374 3.960 0.005 0.000 0.177 121 G C 1.034 175.432 174.900 -0.836 0.000 1.072 121 G CA 0.684 45.442 45.100 -0.569 0.000 0.768 121 G HN 2.343 nan 8.290 nan 0.000 0.481 122 G N -0.511 107.763 108.800 -0.877 0.000 2.187 122 G HA2 -0.141 3.822 3.960 0.005 0.000 0.261 122 G HA3 -0.141 3.822 3.960 0.005 0.000 0.261 122 G C 0.957 175.492 174.900 -0.608 0.000 1.000 122 G CA 0.885 45.185 45.100 -1.333 0.000 0.718 122 G HN 1.850 nan 8.290 nan 0.000 0.519 123 F N -3.351 116.426 119.950 -0.288 0.000 2.935 123 F HA -0.321 4.209 4.527 0.005 0.000 0.317 123 F C 1.456 177.298 175.800 0.069 0.000 0.699 123 F CA 2.182 60.128 58.000 -0.091 0.000 1.127 123 F CB -2.088 36.722 39.000 -0.317 0.000 1.491 123 F HN 0.908 nan 8.300 nan 0.000 0.337 124 Y N -1.000 119.336 120.300 0.059 0.000 2.453 124 Y HA 0.650 5.203 4.550 0.005 0.000 0.247 124 Y C 0.598 176.586 175.900 0.147 0.000 1.124 124 Y CA 0.244 58.414 58.100 0.117 0.000 1.243 124 Y CB 0.031 38.496 38.460 0.009 0.000 1.213 124 Y HN 0.083 nan 8.280 nan 0.000 0.523 125 S N -0.779 114.642 115.700 -0.464 0.000 2.688 125 S HA 0.900 5.374 4.470 0.005 0.000 0.275 125 S C -0.216 174.195 174.600 -0.315 0.000 1.175 125 S CA -0.502 57.488 58.200 -0.349 0.000 0.818 125 S CB 1.538 64.439 63.200 -0.498 0.000 1.157 125 S HN 1.314 nan 8.310 nan 0.000 0.482 126 G N -0.768 107.812 108.800 -0.367 0.000 2.406 126 G HA2 0.568 4.532 3.960 0.005 0.000 0.680 126 G HA3 0.568 4.532 3.960 0.005 0.000 0.680 126 G C -0.768 173.432 174.900 -1.167 0.000 1.338 126 G CA -0.172 44.488 45.100 -0.734 0.000 0.941 126 G HN 2.230 nan 8.290 nan 0.000 0.633 127 A N -1.067 120.878 122.820 -1.458 0.000 2.582 127 A HA 0.966 5.290 4.320 0.005 0.000 0.297 127 A C 0.364 177.788 177.584 -0.267 0.000 1.059 127 A CA 0.584 52.167 52.037 -0.757 0.000 0.705 127 A CB 0.869 19.655 19.000 -0.356 0.000 1.279 127 A HN 2.587 nan 8.150 nan 0.000 0.404 128 A N 0.567 123.459 122.820 0.121 0.000 2.275 128 A HA 0.369 4.692 4.320 0.005 0.000 0.212 128 A C 1.498 179.141 177.584 0.099 0.000 1.201 128 A CA 1.382 53.654 52.037 0.392 0.000 0.843 128 A CB -0.494 18.806 19.000 0.500 0.000 0.873 128 A HN 1.788 nan 8.150 nan 0.000 0.492 129 S N -0.531 114.992 115.700 -0.295 0.000 2.556 129 S HA 0.328 4.801 4.470 0.005 0.000 0.216 129 S C 0.524 174.712 174.600 -0.687 0.000 0.970 129 S CA -0.441 57.121 58.200 -1.063 0.000 0.912 129 S CB -0.538 62.033 63.200 -1.049 0.000 0.790 129 S HN 0.380 nan 8.310 nan 0.000 0.504 130 L N 2.166 123.156 121.223 -0.390 0.000 2.499 130 L HA 0.111 4.454 4.340 0.005 0.000 0.281 130 L C 1.226 177.807 176.870 -0.482 0.000 1.234 130 L CA -0.324 54.236 54.840 -0.468 0.000 0.839 130 L CB 0.177 41.839 42.059 -0.662 0.000 1.104 130 L HN 0.085 nan 8.230 nan 0.000 0.500 131 D N 0.790 120.923 120.400 -0.446 0.000 2.144 131 D HA -0.133 4.510 4.640 0.005 0.000 0.199 131 D C 1.977 178.010 176.300 -0.445 0.000 0.984 131 D CA 1.254 55.048 54.000 -0.344 0.000 0.834 131 D CB -0.039 40.593 40.800 -0.280 0.000 0.955 131 D HN 0.513 nan 8.370 nan 0.000 0.465 132 V N -1.346 118.157 119.914 -0.686 0.000 3.241 132 V HA -0.149 3.974 4.120 0.005 0.000 0.269 132 V C 0.817 176.324 176.094 -0.978 0.000 1.151 132 V CA 1.025 62.873 62.300 -0.754 0.000 1.158 132 V CB -1.164 30.153 31.823 -0.844 0.000 0.764 132 V HN 0.079 nan 8.190 nan 0.000 0.508 133 Y N 0.128 119.893 120.300 -0.892 0.000 2.658 133 Y HA 0.468 5.021 4.550 0.005 0.000 0.276 133 Y C 0.712 176.082 175.900 -0.883 0.000 1.167 133 Y CA -2.016 55.240 58.100 -1.408 0.000 1.230 133 Y CB -0.652 37.395 38.460 -0.689 0.000 1.144 133 Y HN 0.232 nan 8.280 nan 0.000 0.529 134 D N 0.669 120.787 120.400 -0.471 0.000 2.346 134 D HA 0.093 4.736 4.640 0.005 0.000 0.260 134 D C 1.362 177.401 176.300 -0.436 0.000 1.252 134 D CA 0.278 54.069 54.000 -0.347 0.000 0.895 134 D CB 1.295 42.041 40.800 -0.091 0.000 1.097 134 D HN 0.490 nan 8.370 nan 0.000 0.489 135 G N 3.851 111.832 108.800 -1.365 0.000 2.848 135 G HA2 -0.177 3.786 3.960 0.005 0.000 0.208 135 G HA3 -0.177 3.786 3.960 0.005 0.000 0.208 135 G C 1.475 175.899 174.900 -0.793 0.000 1.152 135 G CA 0.171 44.685 45.100 -0.977 0.000 0.789 135 G HN 0.598 nan 8.290 nan 0.000 0.531 136 R N -0.823 119.152 120.500 -0.875 0.000 2.115 136 R HA 0.033 4.377 4.340 0.005 0.000 0.230 136 R C 1.597 177.651 176.300 -0.410 0.000 1.111 136 R CA 1.124 56.917 56.100 -0.511 0.000 0.976 136 R CB -0.557 29.453 30.300 -0.484 0.000 0.870 136 R HN 0.320 nan 8.270 nan 0.000 0.445 137 F N 1.245 121.114 119.950 -0.134 0.000 2.187 137 F HA 0.102 4.633 4.527 0.006 0.000 0.295 137 F C 2.198 177.947 175.800 -0.086 0.000 1.091 137 F CA 0.650 58.595 58.000 -0.092 0.000 1.308 137 F CB -0.417 38.520 39.000 -0.106 0.000 1.030 137 F HN -0.136 nan 8.300 nan 0.000 0.487 138 L N -0.140 121.120 121.223 0.061 0.000 2.046 138 L HA -0.200 4.143 4.340 0.005 0.000 0.208 138 L C 2.724 179.605 176.870 0.018 0.000 1.077 138 L CA 1.173 56.006 54.840 -0.012 0.000 0.747 138 L CB -0.925 41.070 42.059 -0.107 0.000 0.896 138 L HN 0.173 nan 8.230 nan 0.000 0.432 139 A N -0.921 121.918 122.820 0.033 0.000 1.858 139 A HA -0.250 4.074 4.320 0.005 0.000 0.216 139 A C 2.284 179.916 177.584 0.080 0.000 1.190 139 A CA 1.644 53.737 52.037 0.094 0.000 0.617 139 A CB -0.539 18.567 19.000 0.178 0.000 0.827 139 A HN 0.391 nan 8.150 nan 0.000 0.443 140 Q N -0.089 119.741 119.800 0.050 0.000 1.990 140 Q HA -0.089 4.254 4.340 0.005 0.000 0.200 140 Q C 2.203 178.236 176.000 0.054 0.000 0.980 140 Q CA 2.162 57.995 55.803 0.051 0.000 0.832 140 Q CB -0.436 28.310 28.738 0.014 0.000 0.897 140 Q HN 0.391 nan 8.270 nan 0.000 0.427 141 V N 1.297 121.244 119.914 0.056 0.000 2.548 141 V HA -0.112 4.012 4.120 0.005 0.000 0.249 141 V C 1.731 177.843 176.094 0.030 0.000 1.055 141 V CA 1.542 63.870 62.300 0.046 0.000 1.065 141 V CB -0.161 31.693 31.823 0.052 0.000 0.681 141 V HN 0.255 nan 8.190 nan 0.000 0.462 142 E N -0.499 119.717 120.200 0.027 0.000 2.498 142 E HA 0.209 4.563 4.350 0.005 0.000 0.203 142 E C 1.724 178.341 176.600 0.029 0.000 1.013 142 E CA 0.692 57.102 56.400 0.016 0.000 0.927 142 E CB 0.717 30.416 29.700 -0.001 0.000 1.012 142 E HN 0.553 nan 8.360 nan 0.000 0.482 143 G N 1.922 110.750 108.800 0.047 0.000 2.187 143 G HA2 -0.334 3.629 3.960 0.005 0.000 0.261 143 G HA3 -0.334 3.629 3.960 0.005 0.000 0.261 143 G C 0.556 175.499 174.900 0.071 0.000 1.000 143 G CA 0.504 45.642 45.100 0.063 0.000 0.718 143 G HN 0.466 nan 8.290 nan 0.000 0.519 144 A N -0.871 121.989 122.820 0.066 0.000 2.351 144 A HA 0.678 5.002 4.320 0.005 0.000 0.257 144 A C 0.551 178.211 177.584 0.126 0.000 1.087 144 A CA 0.190 52.270 52.037 0.072 0.000 0.798 144 A CB 1.058 20.079 19.000 0.035 0.000 1.033 144 A HN 1.109 nan 8.150 nan 0.000 0.488 145 V N 2.764 122.759 119.914 0.135 0.000 2.364 145 V HA 0.360 4.483 4.120 0.005 0.000 0.272 145 V C -0.051 176.169 176.094 0.210 0.000 1.036 145 V CA -0.060 62.350 62.300 0.183 0.000 0.880 145 V CB 0.671 32.594 31.823 0.166 0.000 0.991 145 V HN 0.708 nan 8.190 nan 0.000 0.460 146 L N 5.990 127.392 121.223 0.299 0.000 2.341 146 L HA 0.760 5.103 4.340 0.005 0.000 0.278 146 L C -1.006 176.156 176.870 0.487 0.000 1.005 146 L CA -0.388 54.681 54.840 0.382 0.000 0.818 146 L CB 1.972 44.252 42.059 0.369 0.000 1.259 146 L HN 0.428 nan 8.230 nan 0.000 0.418 147 V N 3.169 123.348 119.914 0.442 0.000 2.577 147 V HA 0.594 4.717 4.120 0.005 0.000 0.303 147 V C -0.513 175.831 176.094 0.416 0.000 1.042 147 V CA -0.437 62.079 62.300 0.360 0.000 0.872 147 V CB 2.155 34.110 31.823 0.220 0.000 0.998 147 V HN 0.849 nan 8.190 nan 0.000 0.423 148 S N 5.767 121.724 115.700 0.429 0.000 2.542 148 S HA 0.902 5.375 4.470 0.005 0.000 0.293 148 S C -0.719 174.016 174.600 0.225 0.000 1.089 148 S CA -0.814 57.625 58.200 0.397 0.000 0.961 148 S CB 2.300 65.878 63.200 0.630 0.000 1.062 148 S HN 0.825 nan 8.310 nan 0.000 0.483 149 M N 1.246 120.926 119.600 0.134 0.000 2.602 149 M HA 0.639 5.123 4.480 0.005 0.000 0.312 149 M C -1.676 174.791 176.300 0.279 0.000 1.181 149 M CA -0.569 54.784 55.300 0.089 0.000 0.910 149 M CB 1.220 33.694 32.600 -0.210 0.000 1.723 149 M HN 0.535 nan 8.290 nan 0.000 0.459 150 N N 2.330 121.265 118.700 0.392 0.000 2.530 150 N HA 0.592 5.335 4.740 0.005 0.000 0.277 150 N C -1.371 174.406 175.510 0.445 0.000 1.168 150 N CA 0.144 53.458 53.050 0.439 0.000 0.979 150 N CB 0.547 39.251 38.487 0.363 0.000 1.141 150 N HN 0.722 nan 8.380 nan 0.000 0.459 151 Y N -2.133 118.321 120.300 0.257 0.000 2.562 151 Y HA 0.554 5.107 4.550 0.005 0.000 0.345 151 Y C -0.282 175.743 175.900 0.209 0.000 1.045 151 Y CA -1.339 56.873 58.100 0.186 0.000 1.028 151 Y CB 0.931 39.437 38.460 0.077 0.000 1.297 151 Y HN 0.204 nan 8.280 nan 0.000 0.463 152 R N 2.056 122.683 120.500 0.211 0.000 2.489 152 R HA 0.482 4.825 4.340 0.005 0.000 0.287 152 R C -0.149 176.291 176.300 0.234 0.000 1.053 152 R CA -0.224 55.958 56.100 0.135 0.000 1.036 152 R CB 0.824 31.171 30.300 0.078 0.000 0.966 152 R HN 0.706 nan 8.270 nan 0.000 0.432 153 V N 0.347 120.426 119.914 0.275 0.000 3.234 153 V HA 0.850 4.974 4.120 0.005 0.000 0.317 153 V C 0.946 177.336 176.094 0.494 0.000 1.147 153 V CA -0.153 62.420 62.300 0.456 0.000 1.037 153 V CB 1.006 32.989 31.823 0.267 0.000 1.148 153 V HN 0.948 nan 8.190 nan 0.000 0.455 154 G N 1.492 110.604 108.800 0.521 0.000 2.581 154 G HA2 -0.332 3.631 3.960 0.005 0.000 0.291 154 G HA3 -0.332 3.631 3.960 0.005 0.000 0.291 154 G C 1.048 176.055 174.900 0.179 0.000 1.277 154 G CA 1.827 47.151 45.100 0.375 0.000 0.959 154 G HN 2.268 nan 8.290 nan 0.000 0.554 155 T N -1.752 112.637 114.554 -0.275 0.000 2.720 155 T HA -0.102 4.252 4.350 0.005 0.000 0.268 155 T C 2.151 176.680 174.700 -0.286 0.000 1.037 155 T CA 2.584 64.274 62.100 -0.683 0.000 1.144 155 T CB -0.433 67.886 68.868 -0.915 0.000 0.864 155 T HN 0.557 nan 8.240 nan 0.000 0.444 156 F N 2.124 122.085 119.950 0.019 0.000 2.269 156 F HA 0.241 4.772 4.527 0.005 0.000 0.301 156 F C 2.726 178.493 175.800 -0.054 0.000 1.082 156 F CA 0.694 58.666 58.000 -0.047 0.000 1.360 156 F CB -0.838 38.113 39.000 -0.081 0.000 1.041 156 F HN 0.375 nan 8.300 nan 0.000 0.512 157 G N -2.033 106.826 108.800 0.100 0.000 2.719 157 G HA2 0.031 3.994 3.960 0.005 0.000 0.211 157 G HA3 0.031 3.994 3.960 0.005 0.000 0.211 157 G C 0.890 175.276 174.900 -0.856 0.000 1.140 157 G CA 0.274 45.183 45.100 -0.318 0.000 0.790 157 G HN 0.363 nan 8.290 nan 0.000 0.529 158 F N -0.890 119.127 119.950 0.111 0.000 2.974 158 F HA 0.402 4.932 4.527 0.006 0.000 0.357 158 F C 0.433 176.301 175.800 0.114 0.000 1.114 158 F CA -0.938 57.115 58.000 0.089 0.000 1.099 158 F CB 0.352 39.408 39.000 0.093 0.000 1.205 158 F HN -0.087 nan 8.300 nan 0.000 0.535 159 L N 2.374 123.646 121.223 0.082 0.000 2.534 159 L HA 0.524 4.867 4.340 0.005 0.000 0.271 159 L C -0.061 176.795 176.870 -0.025 0.000 1.178 159 L CA -0.000 54.814 54.840 -0.042 0.000 0.907 159 L CB 0.343 42.094 42.059 -0.514 0.000 1.164 159 L HN 0.126 nan 8.230 nan 0.000 0.482 160 A N 6.358 129.209 122.820 0.051 0.000 2.393 160 A HA 0.644 4.968 4.320 0.005 0.000 0.306 160 A C -0.952 176.615 177.584 -0.028 0.000 1.050 160 A CA -0.613 51.424 52.037 -0.001 0.000 0.724 160 A CB 1.283 20.309 19.000 0.044 0.000 1.248 160 A HN 0.740 nan 8.150 nan 0.000 0.424 161 L N 3.658 124.845 121.223 -0.060 0.000 2.417 161 L HA 0.308 4.652 4.340 0.005 0.000 0.258 161 L C -2.338 174.519 176.870 -0.022 0.000 1.088 161 L CA -1.816 52.996 54.840 -0.046 0.000 0.975 161 L CB 1.145 43.162 42.059 -0.070 0.000 1.341 161 L HN 0.419 nan 8.230 nan 0.000 0.431 162 P HA 0.049 nan 4.420 nan 0.000 0.264 162 P C 0.987 178.288 177.300 0.001 0.000 1.183 162 P CA 0.817 63.919 63.100 0.002 0.000 0.763 162 P CB 0.960 32.662 31.700 0.004 0.000 0.807 163 G N 1.686 110.490 108.800 0.007 0.000 2.358 163 G HA2 -0.260 3.703 3.960 0.005 0.000 0.224 163 G HA3 -0.260 3.703 3.960 0.005 0.000 0.224 163 G C 0.536 175.440 174.900 0.005 0.000 1.073 163 G CA 0.282 45.386 45.100 0.006 0.000 0.635 163 G HN 0.847 nan 8.290 nan 0.000 0.509 164 S N 0.173 115.872 115.700 -0.001 0.000 2.596 164 S HA 0.545 5.018 4.470 0.005 0.000 0.260 164 S C 1.231 175.836 174.600 0.008 0.000 1.336 164 S CA 0.738 58.937 58.200 -0.002 0.000 0.993 164 S CB 1.700 64.891 63.200 -0.015 0.000 0.923 164 S HN 0.572 nan 8.310 nan 0.000 0.567 165 R N -0.145 120.361 120.500 0.011 0.000 2.206 165 R HA 0.103 4.447 4.340 0.005 0.000 0.198 165 R C 0.963 177.280 176.300 0.028 0.000 0.986 165 R CA 0.787 56.899 56.100 0.020 0.000 1.029 165 R CB -0.112 30.200 30.300 0.019 0.000 0.966 165 R HN 0.806 nan 8.270 nan 0.000 0.487 166 E N -0.627 119.588 120.200 0.025 0.000 2.474 166 E HA 0.180 4.533 4.350 0.005 0.000 0.195 166 E C -0.372 176.264 176.600 0.061 0.000 1.039 166 E CA 0.287 56.716 56.400 0.048 0.000 0.881 166 E CB 1.524 31.252 29.700 0.046 0.000 0.970 166 E HN 0.226 nan 8.360 nan 0.000 0.486 167 A N 0.961 123.792 122.820 0.018 0.000 3.330 167 A HA 0.303 4.626 4.320 0.005 0.000 0.256 167 A C -2.323 175.256 177.584 -0.008 0.000 1.185 167 A CA -0.853 51.179 52.037 -0.008 0.000 0.940 167 A CB 0.416 19.325 19.000 -0.153 0.000 1.397 167 A HN -0.074 nan 8.150 nan 0.000 0.678 168 P HA 0.182 nan 4.420 nan 0.000 0.225 168 P C 0.992 178.307 177.300 0.026 0.000 1.156 168 P CA 1.885 65.000 63.100 0.025 0.000 0.787 168 P CB 0.194 31.917 31.700 0.039 0.000 0.802 169 G N 0.162 108.973 108.800 0.019 0.000 2.730 169 G HA2 -0.174 3.789 3.960 0.005 0.000 0.686 169 G HA3 -0.174 3.789 3.960 0.005 0.000 0.686 169 G C -0.169 174.725 174.900 -0.009 0.000 1.343 169 G CA -0.312 44.802 45.100 0.023 0.000 0.826 169 G HN 0.129 nan 8.290 nan 0.000 0.582 170 N N -2.416 116.275 118.700 -0.015 0.000 2.753 170 N HA -0.274 4.469 4.740 0.005 0.000 0.251 170 N C 1.829 177.180 175.510 -0.264 0.000 1.097 170 N CA 2.417 55.395 53.050 -0.120 0.000 0.786 170 N CB -1.678 36.697 38.487 -0.187 0.000 1.137 170 N HN 1.944 nan 8.380 nan 0.000 0.566 171 V N -2.831 116.917 119.914 -0.275 0.000 2.626 171 V HA 0.031 4.154 4.120 0.005 0.000 0.252 171 V C 2.284 178.222 176.094 -0.259 0.000 1.067 171 V CA 2.192 64.378 62.300 -0.191 0.000 1.081 171 V CB -0.802 30.962 31.823 -0.099 0.000 0.686 171 V HN 0.276 nan 8.190 nan 0.000 0.468 172 G N 0.684 109.107 108.800 -0.629 0.000 2.418 172 G HA2 -0.173 3.790 3.960 0.005 0.000 0.217 172 G HA3 -0.173 3.790 3.960 0.005 0.000 0.217 172 G C 1.550 176.410 174.900 -0.067 0.000 1.158 172 G CA 1.250 46.117 45.100 -0.390 0.000 0.771 172 G HN 0.536 nan 8.290 nan 0.000 0.545 173 L N -0.089 121.044 121.223 -0.150 0.000 2.083 173 L HA 0.014 4.357 4.340 0.005 0.000 0.209 173 L C 2.867 179.748 176.870 0.017 0.000 1.083 173 L CA 0.478 55.200 54.840 -0.196 0.000 0.752 173 L CB -0.338 41.252 42.059 -0.781 0.000 0.899 173 L HN 0.196 nan 8.230 nan 0.000 0.433 174 L N -0.617 120.616 121.223 0.016 0.000 2.141 174 L HA -0.194 4.149 4.340 0.005 0.000 0.209 174 L C 2.210 179.190 176.870 0.182 0.000 1.094 174 L CA 0.844 55.787 54.840 0.171 0.000 0.763 174 L CB -0.635 41.501 42.059 0.129 0.000 0.908 174 L HN 0.290 nan 8.230 nan 0.000 0.437 175 D N 0.077 120.571 120.400 0.157 0.000 2.104 175 D HA -0.214 4.429 4.640 0.005 0.000 0.194 175 D C 2.260 178.733 176.300 0.289 0.000 0.994 175 D CA 1.236 55.404 54.000 0.279 0.000 0.830 175 D CB -0.213 40.762 40.800 0.293 0.000 0.959 175 D HN 0.404 nan 8.370 nan 0.000 0.452 176 Q N 0.102 119.993 119.800 0.152 0.000 2.061 176 Q HA -0.143 4.201 4.340 0.005 0.000 0.204 176 Q C 2.316 178.316 176.000 0.000 0.000 0.984 176 Q CA 1.085 56.901 55.803 0.022 0.000 0.846 176 Q CB -0.089 28.649 28.738 -0.000 0.000 0.902 176 Q HN 0.209 nan 8.270 nan 0.000 0.421 177 R N 0.579 121.160 120.500 0.134 0.000 2.096 177 R HA -0.163 4.181 4.340 0.005 0.000 0.235 177 R C 2.211 178.572 176.300 0.101 0.000 1.127 177 R CA 0.925 57.083 56.100 0.096 0.000 0.968 177 R CB -0.210 30.253 30.300 0.271 0.000 0.861 177 R HN 0.215 nan 8.270 nan 0.000 0.440 178 L N 0.816 122.144 121.223 0.176 0.000 2.083 178 L HA -0.058 4.285 4.340 0.005 0.000 0.209 178 L C 2.216 179.202 176.870 0.193 0.000 1.083 178 L CA 2.117 57.100 54.840 0.238 0.000 0.752 178 L CB -0.639 41.631 42.059 0.352 0.000 0.899 178 L HN 0.260 nan 8.230 nan 0.000 0.433 179 A N -0.836 121.946 122.820 -0.063 0.000 1.969 179 A HA -0.098 4.226 4.320 0.005 0.000 0.218 179 A C 2.214 179.778 177.584 -0.033 0.000 1.169 179 A CA 1.550 53.367 52.037 -0.367 0.000 0.635 179 A CB -0.683 17.764 19.000 -0.922 0.000 0.810 179 A HN 0.497 nan 8.150 nan 0.000 0.445 180 L N -1.000 120.208 121.223 -0.025 0.000 2.017 180 L HA -0.261 4.083 4.340 0.005 0.000 0.208 180 L C 2.868 179.798 176.870 0.101 0.000 1.073 180 L CA 1.705 56.560 54.840 0.024 0.000 0.745 180 L CB -0.839 41.191 42.059 -0.048 0.000 0.894 180 L HN 0.480 nan 8.230 nan 0.000 0.432 181 Q N -0.881 118.988 119.800 0.115 0.000 2.030 181 Q HA -0.280 4.063 4.340 0.005 0.000 0.204 181 Q C 2.012 178.105 176.000 0.156 0.000 0.986 181 Q CA 2.253 58.128 55.803 0.121 0.000 0.843 181 Q CB -0.402 28.411 28.738 0.126 0.000 0.904 181 Q HN 0.510 nan 8.270 nan 0.000 0.420 182 W N 0.600 121.926 121.300 0.044 0.000 2.305 182 W HA -0.286 4.377 4.660 0.005 0.000 0.308 182 W C 1.878 178.429 176.519 0.053 0.000 1.226 182 W CA 1.589 58.973 57.345 0.064 0.000 1.253 182 W CB -0.180 29.323 29.460 0.073 0.000 1.146 182 W HN -0.099 nan 8.180 nan 0.000 0.507 183 V N 0.678 120.816 119.914 0.373 0.000 2.307 183 V HA -0.331 3.792 4.120 0.005 0.000 0.245 183 V C 2.581 178.692 176.094 0.028 0.000 1.045 183 V CA 2.075 64.511 62.300 0.228 0.000 1.024 183 V CB -0.986 30.990 31.823 0.256 0.000 0.651 183 V HN 0.190 nan 8.190 nan 0.000 0.449 184 Q N -0.037 119.790 119.800 0.045 0.000 2.045 184 Q HA -0.297 4.046 4.340 0.005 0.000 0.206 184 Q C 2.260 178.227 176.000 -0.055 0.000 0.991 184 Q CA 2.386 58.199 55.803 0.016 0.000 0.851 184 Q CB -0.438 28.317 28.738 0.029 0.000 0.911 184 Q HN 0.818 nan 8.270 nan 0.000 0.418 185 E N -0.322 119.809 120.200 -0.115 0.000 2.208 185 E HA -0.106 4.248 4.350 0.005 0.000 0.193 185 E C 1.101 177.544 176.600 -0.262 0.000 0.988 185 E CA 0.883 57.180 56.400 -0.171 0.000 0.828 185 E CB 0.255 29.852 29.700 -0.173 0.000 0.763 185 E HN 0.297 nan 8.360 nan 0.000 0.478 186 N N -0.362 118.091 118.700 -0.411 0.000 2.239 186 N HA 0.004 4.747 4.740 0.005 0.000 0.208 186 N C 1.321 176.706 175.510 -0.208 0.000 1.200 186 N CA 0.019 52.779 53.050 -0.483 0.000 0.895 186 N CB 0.367 38.192 38.487 -1.103 0.000 1.085 186 N HN 0.130 nan 8.380 nan 0.000 0.500 187 I N 2.383 122.894 120.570 -0.099 0.000 2.614 187 I HA -0.048 4.126 4.170 0.005 0.000 0.258 187 I C 2.138 178.356 176.117 0.167 0.000 1.189 187 I CA 0.519 61.898 61.300 0.133 0.000 1.462 187 I CB -0.214 37.857 38.000 0.118 0.000 1.092 187 I HN 0.035 nan 8.210 nan 0.000 0.442 188 A N 0.389 123.233 122.820 0.041 0.000 2.024 188 A HA -0.116 4.207 4.320 0.005 0.000 0.220 188 A C 2.432 179.999 177.584 -0.028 0.000 1.164 188 A CA 1.484 53.529 52.037 0.013 0.000 0.643 188 A CB -1.068 17.916 19.000 -0.027 0.000 0.806 188 A HN 0.470 nan 8.150 nan 0.000 0.451 189 A N -1.958 120.799 122.820 -0.105 0.000 2.178 189 A HA 0.128 4.451 4.320 0.005 0.000 0.218 189 A C 1.459 178.762 177.584 -0.467 0.000 1.157 189 A CA 1.120 52.970 52.037 -0.312 0.000 0.689 189 A CB -0.614 18.104 19.000 -0.470 0.000 0.787 189 A HN 0.517 nan 8.150 nan 0.000 0.465 190 F N -2.119 117.783 119.950 -0.080 0.000 2.706 190 F HA 0.390 4.920 4.527 0.006 0.000 0.308 190 F C 1.701 177.507 175.800 0.010 0.000 1.095 190 F CA 0.569 58.539 58.000 -0.050 0.000 1.244 190 F CB 0.685 39.666 39.000 -0.031 0.000 1.063 190 F HN 0.302 nan 8.300 nan 0.000 0.582 191 G N 0.488 109.371 108.800 0.139 0.000 2.144 191 G HA2 -0.140 3.823 3.960 0.005 0.000 0.218 191 G HA3 -0.140 3.823 3.960 0.005 0.000 0.218 191 G C 0.539 175.504 174.900 0.109 0.000 0.988 191 G CA -0.343 44.815 45.100 0.097 0.000 0.659 191 G HN 0.674 nan 8.290 nan 0.000 0.522 192 G N -0.486 108.399 108.800 0.142 0.000 2.476 192 G HA2 0.484 4.447 3.960 0.005 0.000 0.269 192 G HA3 0.484 4.447 3.960 0.005 0.000 0.269 192 G C -0.785 174.162 174.900 0.078 0.000 1.195 192 G CA 0.237 45.409 45.100 0.120 0.000 0.843 192 G HN 0.212 nan 8.290 nan 0.000 0.545 193 D N 1.358 121.796 120.400 0.063 0.000 2.454 193 D HA 0.343 4.986 4.640 0.005 0.000 0.225 193 D C -1.528 174.803 176.300 0.051 0.000 1.081 193 D CA -2.373 51.648 54.000 0.035 0.000 0.864 193 D CB 1.888 42.691 40.800 0.005 0.000 1.040 193 D HN -0.014 nan 8.370 nan 0.000 0.517 194 P HA -0.046 nan 4.420 nan 0.000 0.228 194 P C 1.337 178.730 177.300 0.154 0.000 1.151 194 P CA 0.734 63.895 63.100 0.102 0.000 0.770 194 P CB 0.123 31.860 31.700 0.063 0.000 0.786 195 M N -1.915 117.700 119.600 0.025 0.000 2.541 195 M HA 0.081 4.564 4.480 0.005 0.000 0.252 195 M C 0.745 176.715 176.300 -0.550 0.000 1.125 195 M CA 0.834 56.044 55.300 -0.149 0.000 1.091 195 M CB -0.233 32.288 32.600 -0.133 0.000 1.420 195 M HN -0.135 nan 8.290 nan 0.000 0.486 196 S N 1.327 116.897 115.700 -0.216 0.000 2.252 196 S HA 0.448 4.921 4.470 0.005 0.000 0.187 196 S C -0.917 173.747 174.600 0.107 0.000 1.587 196 S CA -0.411 57.688 58.200 -0.168 0.000 1.215 196 S CB 0.343 63.473 63.200 -0.117 0.000 1.085 196 S HN -0.002 nan 8.310 nan 0.000 0.466 197 V N 4.250 124.410 119.914 0.410 0.000 2.378 197 V HA 0.492 4.616 4.120 0.005 0.000 0.288 197 V C 0.079 176.371 176.094 0.330 0.000 1.016 197 V CA -0.513 61.992 62.300 0.341 0.000 0.840 197 V CB 1.791 33.807 31.823 0.321 0.000 0.994 197 V HN 0.694 nan 8.190 nan 0.000 0.431 198 T N 6.594 121.285 114.554 0.229 0.000 2.794 198 T HA 0.595 4.949 4.350 0.005 0.000 0.280 198 T C -0.184 174.663 174.700 0.245 0.000 0.987 198 T CA -0.325 61.912 62.100 0.228 0.000 0.993 198 T CB 0.927 69.883 68.868 0.146 0.000 0.939 198 T HN 0.337 nan 8.240 nan 0.000 0.449 199 L N 5.011 126.349 121.223 0.192 0.000 2.326 199 L HA 0.663 5.006 4.340 0.005 0.000 0.278 199 L C -0.508 176.575 176.870 0.354 0.000 1.092 199 L CA -0.792 54.132 54.840 0.139 0.000 0.810 199 L CB 0.403 42.324 42.059 -0.231 0.000 1.153 199 L HN 0.639 nan 8.230 nan 0.000 0.439 200 F N 0.812 120.833 119.950 0.118 0.000 2.601 200 F HA 0.949 5.479 4.527 0.005 0.000 0.309 200 F C -0.364 175.491 175.800 0.092 0.000 1.089 200 F CA -1.394 56.735 58.000 0.215 0.000 0.940 200 F CB 1.557 40.806 39.000 0.416 0.000 1.273 200 F HN 0.466 nan 8.300 nan 0.000 0.450 201 G N 1.302 110.006 108.800 -0.159 0.000 2.576 201 G HA2 0.500 4.464 3.960 0.005 0.000 0.290 201 G HA3 0.500 4.464 3.960 0.005 0.000 0.290 201 G C -2.570 172.153 174.900 -0.296 0.000 1.442 201 G CA -0.783 43.821 45.100 -0.827 0.000 0.792 201 G HN 0.885 nan 8.290 nan 0.000 0.491 202 E N 0.062 120.034 120.200 -0.379 0.000 2.317 202 E HA 0.637 4.991 4.350 0.005 0.000 0.270 202 E C 0.594 177.132 176.600 -0.104 0.000 0.885 202 E CA 0.376 56.757 56.400 -0.032 0.000 0.760 202 E CB 2.289 32.112 29.700 0.206 0.000 1.227 202 E HN 1.257 nan 8.360 nan 0.000 0.434 203 S N 2.841 118.545 115.700 0.007 0.000 4.114 203 S HA -0.385 4.088 4.470 0.005 0.000 0.618 203 S C 1.407 176.069 174.600 0.103 0.000 1.937 203 S CA 2.263 60.522 58.200 0.097 0.000 4.228 203 S CB -1.667 61.502 63.200 -0.051 0.000 0.216 203 S HN 1.082 nan 8.310 nan 0.000 0.528 204 A N 1.319 124.053 122.820 -0.143 0.000 2.067 204 A HA 0.280 4.603 4.320 0.005 0.000 0.219 204 A C 2.529 179.834 177.584 -0.464 0.000 1.158 204 A CA 2.099 53.859 52.037 -0.462 0.000 0.661 204 A CB -1.602 16.586 19.000 -1.355 0.000 0.801 204 A HN 1.662 nan 8.150 nan 0.000 0.452 205 G N -0.190 108.393 108.800 -0.362 0.000 2.421 205 G HA2 -0.017 3.946 3.960 0.005 0.000 0.216 205 G HA3 -0.017 3.946 3.960 0.005 0.000 0.216 205 G C 1.750 176.466 174.900 -0.306 0.000 1.171 205 G CA 1.333 46.170 45.100 -0.437 0.000 0.775 205 G HN 0.733 nan 8.290 nan 0.000 0.543 206 A N 1.211 123.930 122.820 -0.169 0.000 1.877 206 A HA 0.273 4.596 4.320 0.005 0.000 0.216 206 A C 2.830 180.391 177.584 -0.038 0.000 1.186 206 A CA 2.295 54.298 52.037 -0.058 0.000 0.620 206 A CB -0.865 18.163 19.000 0.046 0.000 0.822 206 A HN 0.834 nan 8.150 nan 0.000 0.443 207 A N -0.644 122.175 122.820 -0.000 0.000 1.940 207 A HA -0.083 4.241 4.320 0.005 0.000 0.219 207 A C 2.433 180.002 177.584 -0.024 0.000 1.176 207 A CA 2.089 54.115 52.037 -0.019 0.000 0.631 207 A CB -0.835 18.158 19.000 -0.012 0.000 0.814 207 A HN 0.445 nan 8.150 nan 0.000 0.446 208 S N -0.560 115.116 115.700 -0.041 0.000 2.356 208 S HA -0.142 4.332 4.470 0.005 0.000 0.223 208 S C 1.919 176.421 174.600 -0.164 0.000 1.032 208 S CA 1.447 59.569 58.200 -0.130 0.000 1.005 208 S CB -0.491 62.577 63.200 -0.222 0.000 0.867 208 S HN 0.354 nan 8.310 nan 0.000 0.449 209 V N 1.624 121.476 119.914 -0.103 0.000 2.332 209 V HA -0.190 3.933 4.120 0.005 0.000 0.248 209 V C 2.591 178.663 176.094 -0.036 0.000 1.055 209 V CA 1.991 64.252 62.300 -0.066 0.000 1.038 209 V CB -1.475 30.296 31.823 -0.087 0.000 0.651 209 V HN 0.605 nan 8.190 nan 0.000 0.450 210 G N -1.007 107.769 108.800 -0.039 0.000 2.442 210 G HA2 -0.304 3.659 3.960 0.005 0.000 0.219 210 G HA3 -0.304 3.659 3.960 0.005 0.000 0.219 210 G C 1.607 176.514 174.900 0.011 0.000 1.141 210 G CA 1.166 46.255 45.100 -0.018 0.000 0.763 210 G HN 0.458 nan 8.290 nan 0.000 0.554 211 M N -0.244 119.337 119.600 -0.032 0.000 2.319 211 M HA 0.075 4.558 4.480 0.005 0.000 0.265 211 M C 2.201 178.573 176.300 0.119 0.000 1.068 211 M CA 0.715 56.037 55.300 0.036 0.000 1.118 211 M CB -0.067 32.533 32.600 0.001 0.000 1.395 211 M HN 0.185 nan 8.290 nan 0.000 0.435 212 H N -0.266 118.916 119.070 0.187 0.000 2.428 212 H HA 0.029 4.588 4.556 0.005 0.000 0.296 212 H C 2.059 177.578 175.328 0.319 0.000 1.062 212 H CA 1.300 57.470 56.048 0.204 0.000 1.350 212 H CB -0.213 29.560 29.762 0.019 0.000 1.403 212 H HN 0.407 nan 8.280 nan 0.000 0.533 213 I N 0.612 121.426 120.570 0.406 0.000 2.394 213 I HA -0.194 3.979 4.170 0.005 0.000 0.251 213 I C 1.664 177.946 176.117 0.275 0.000 1.136 213 I CA 0.927 62.482 61.300 0.424 0.000 1.425 213 I CB -0.051 38.116 38.000 0.278 0.000 1.079 213 I HN 0.121 nan 8.210 nan 0.000 0.425 214 L N -0.672 120.668 121.223 0.195 0.000 2.592 214 L HA 0.119 4.462 4.340 0.005 0.000 0.227 214 L C 0.795 177.702 176.870 0.063 0.000 1.127 214 L CA 0.106 55.036 54.840 0.150 0.000 0.884 214 L CB 0.038 42.169 42.059 0.120 0.000 1.065 214 L HN -0.004 nan 8.230 nan 0.000 0.457 215 S N 0.190 115.901 115.700 0.017 0.000 2.669 215 S HA 0.259 4.732 4.470 0.005 0.000 0.315 215 S C 1.047 175.577 174.600 -0.116 0.000 1.106 215 S CA -0.599 57.495 58.200 -0.177 0.000 1.107 215 S CB 0.934 63.757 63.200 -0.627 0.000 0.990 215 S HN 0.051 nan 8.310 nan 0.000 0.471 216 L N 6.100 127.264 121.223 -0.099 0.000 2.011 216 L HA -0.090 4.253 4.340 0.005 0.000 0.225 216 L C -0.745 176.081 176.870 -0.074 0.000 1.084 216 L CA 2.517 57.313 54.840 -0.073 0.000 0.791 216 L CB -2.355 39.663 42.059 -0.069 0.000 0.898 216 L HN 0.498 nan 8.230 nan 0.000 0.440 217 P HA -0.084 nan 4.420 nan 0.000 0.221 217 P C 1.795 179.082 177.300 -0.023 0.000 1.145 217 P CA 1.191 64.253 63.100 -0.063 0.000 0.795 217 P CB 0.084 31.739 31.700 -0.075 0.000 0.775 218 S N -1.250 114.451 115.700 0.003 0.000 2.470 218 S HA 0.015 4.489 4.470 0.005 0.000 0.225 218 S C 1.835 176.524 174.600 0.148 0.000 1.006 218 S CA 0.317 58.602 58.200 0.142 0.000 0.934 218 S CB -0.336 63.065 63.200 0.335 0.000 0.778 218 S HN 0.017 nan 8.310 nan 0.000 0.517 219 R N 2.250 122.754 120.500 0.006 0.000 2.117 219 R HA -0.032 4.311 4.340 0.005 0.000 0.243 219 R C 2.208 178.271 176.300 -0.395 0.000 1.143 219 R CA 1.597 57.565 56.100 -0.220 0.000 0.968 219 R CB -1.376 28.841 30.300 -0.139 0.000 0.863 219 R HN 0.556 nan 8.270 nan 0.000 0.444 220 S N -0.273 115.301 115.700 -0.209 0.000 2.701 220 S HA 0.121 4.594 4.470 0.005 0.000 0.220 220 S C 1.501 175.988 174.600 -0.189 0.000 0.954 220 S CA 0.076 58.156 58.200 -0.200 0.000 0.936 220 S CB -0.161 62.979 63.200 -0.101 0.000 0.777 220 S HN 0.210 nan 8.310 nan 0.000 0.518 221 L N 0.255 121.386 121.223 -0.154 0.000 2.766 221 L HA 0.499 4.842 4.340 0.005 0.000 0.242 221 L C -0.127 176.757 176.870 0.023 0.000 1.136 221 L CA -0.307 54.523 54.840 -0.016 0.000 0.933 221 L CB 0.249 42.361 42.059 0.088 0.000 1.241 221 L HN 0.542 nan 8.230 nan 0.000 0.522 222 F N -4.346 115.403 119.950 -0.335 0.000 2.713 222 F HA 0.454 4.984 4.527 0.005 0.000 0.311 222 F C 0.380 175.855 175.800 -0.542 0.000 1.141 222 F CA -0.966 56.812 58.000 -0.370 0.000 0.939 222 F CB 0.800 39.740 39.000 -0.100 0.000 1.325 222 F HN -0.146 nan 8.300 nan 0.000 0.453 223 H N -0.474 118.657 119.070 0.101 0.000 2.800 223 H HA 0.450 5.009 4.556 0.005 0.000 0.257 223 H C -0.024 175.346 175.328 0.072 0.000 0.967 223 H CA 0.007 56.040 56.048 -0.025 0.000 1.192 223 H CB 0.950 30.700 29.762 -0.022 0.000 1.441 223 H HN 0.421 nan 8.280 nan 0.000 0.461 224 R N 0.131 120.835 120.500 0.340 0.000 2.799 224 R HA 0.714 5.058 4.340 0.005 0.000 0.270 224 R C -1.437 175.123 176.300 0.432 0.000 1.010 224 R CA -0.683 55.587 56.100 0.282 0.000 0.916 224 R CB 2.946 33.221 30.300 -0.041 0.000 1.228 224 R HN 0.155 nan 8.270 nan 0.000 0.469 225 A N 1.081 124.178 122.820 0.462 0.000 2.520 225 A HA 0.636 4.959 4.320 0.005 0.000 0.298 225 A C -1.429 176.319 177.584 0.273 0.000 1.051 225 A CA -0.595 51.643 52.037 0.335 0.000 0.690 225 A CB 1.811 20.951 19.000 0.233 0.000 1.281 225 A HN 0.305 nan 8.150 nan 0.000 0.402 226 V N 2.095 122.129 119.914 0.200 0.000 2.448 226 V HA 0.531 4.655 4.120 0.005 0.000 0.295 226 V C -1.021 175.173 176.094 0.166 0.000 1.025 226 V CA -0.421 61.932 62.300 0.087 0.000 0.859 226 V CB 1.172 33.048 31.823 0.089 0.000 0.988 226 V HN 0.670 nan 8.190 nan 0.000 0.431 227 L N 5.169 126.464 121.223 0.120 0.000 2.294 227 L HA 0.524 4.867 4.340 0.005 0.000 0.283 227 L C 0.017 177.009 176.870 0.202 0.000 1.015 227 L CA -0.024 54.890 54.840 0.123 0.000 0.831 227 L CB 1.434 43.521 42.059 0.047 0.000 1.217 227 L HN 0.646 nan 8.230 nan 0.000 0.420 228 Q N 1.934 121.899 119.800 0.276 0.000 2.340 228 Q HA 0.476 4.819 4.340 0.005 0.000 0.259 228 Q C 0.150 176.282 176.000 0.220 0.000 0.964 228 Q CA -0.561 55.452 55.803 0.349 0.000 0.900 228 Q CB 1.287 30.320 28.738 0.492 0.000 1.228 228 Q HN 0.610 nan 8.270 nan 0.000 0.449 229 S N 1.030 116.845 115.700 0.192 0.000 3.631 229 S HA -0.151 4.323 4.470 0.005 0.000 0.366 229 S C 0.028 174.805 174.600 0.295 0.000 0.993 229 S CA 0.531 58.863 58.200 0.221 0.000 1.167 229 S CB -1.235 62.094 63.200 0.215 0.000 0.909 229 S HN 1.009 nan 8.310 nan 0.000 0.478 230 G N -0.373 108.561 108.800 0.223 0.000 2.556 230 G HA2 0.633 4.597 3.960 0.005 0.000 0.294 230 G HA3 0.633 4.597 3.960 0.005 0.000 0.294 230 G C -0.931 174.040 174.900 0.118 0.000 1.516 230 G CA 0.159 45.434 45.100 0.292 0.000 0.824 230 G HN 0.965 nan 8.290 nan 0.000 0.535 231 T N -1.108 113.469 114.554 0.037 0.000 2.894 231 T HA 0.735 5.088 4.350 0.005 0.000 0.309 231 T C -2.263 172.307 174.700 -0.216 0.000 1.208 231 T CA -1.333 60.712 62.100 -0.090 0.000 1.016 231 T CB 3.085 71.887 68.868 -0.110 0.000 1.192 231 T HN 0.293 nan 8.240 nan 0.000 0.491 232 P HA -0.044 nan 4.420 nan 0.000 0.219 232 P C 0.336 177.488 177.300 -0.246 0.000 1.150 232 P CA 0.773 63.757 63.100 -0.193 0.000 0.814 232 P CB -0.036 31.601 31.700 -0.105 0.000 0.787 233 N N 0.525 119.097 118.700 -0.213 0.000 2.366 233 N HA 0.278 5.021 4.740 0.005 0.000 0.277 233 N C 0.814 176.133 175.510 -0.318 0.000 1.275 233 N CA 0.599 53.520 53.050 -0.214 0.000 0.964 233 N CB -0.118 38.286 38.487 -0.138 0.000 1.167 233 N HN 0.201 nan 8.380 nan 0.000 0.568 234 G N -1.273 107.360 108.800 -0.279 0.000 2.655 234 G HA2 -0.126 3.838 3.960 0.005 0.000 0.680 234 G HA3 -0.126 3.838 3.960 0.005 0.000 0.680 234 G C -2.365 172.300 174.900 -0.391 0.000 1.302 234 G CA -0.209 44.677 45.100 -0.356 0.000 0.872 234 G HN 0.548 nan 8.290 nan 0.000 0.540 235 P HA 0.177 nan 4.420 nan 0.000 0.245 235 P C 1.455 178.685 177.300 -0.116 0.000 1.203 235 P CA 1.774 64.733 63.100 -0.235 0.000 0.792 235 P CB 0.004 31.522 31.700 -0.304 0.000 0.997 236 W N -1.885 119.336 121.300 -0.132 0.000 2.865 236 W HA 0.589 5.252 4.660 0.004 0.000 0.300 236 W C 0.921 177.524 176.519 0.141 0.000 1.096 236 W CA 0.429 57.782 57.345 0.013 0.000 1.524 236 W CB -0.749 28.778 29.460 0.111 0.000 0.991 236 W HN -0.177 nan 8.180 nan 0.000 0.571 237 A N 1.911 124.342 122.820 -0.648 0.000 2.123 237 A HA 0.146 4.469 4.320 0.005 0.000 0.214 237 A C 1.142 178.537 177.584 -0.314 0.000 1.152 237 A CA 1.765 53.478 52.037 -0.540 0.000 0.728 237 A CB -0.734 17.696 19.000 -0.950 0.000 0.814 237 A HN 0.224 nan 8.150 nan 0.000 0.464 238 T N -3.094 111.305 114.554 -0.259 0.000 2.883 238 T HA 0.626 4.979 4.350 0.005 0.000 0.296 238 T C -0.670 173.948 174.700 -0.138 0.000 1.117 238 T CA -0.118 61.853 62.100 -0.214 0.000 1.006 238 T CB 1.476 70.232 68.868 -0.187 0.000 1.191 238 T HN 0.856 nan 8.240 nan 0.000 0.508 239 V N -1.070 118.774 119.914 -0.117 0.000 3.040 239 V HA 0.888 5.011 4.120 0.005 0.000 0.312 239 V C 0.332 176.388 176.094 -0.065 0.000 1.115 239 V CA -0.862 61.388 62.300 -0.083 0.000 0.998 239 V CB 1.313 33.087 31.823 -0.082 0.000 1.042 239 V HN 1.377 nan 8.190 nan 0.000 0.433 240 S N 2.019 117.688 115.700 -0.052 0.000 2.584 240 S HA 0.515 4.988 4.470 0.005 0.000 0.270 240 S C 1.460 176.043 174.600 -0.030 0.000 1.346 240 S CA 0.157 58.334 58.200 -0.038 0.000 1.018 240 S CB 1.167 64.346 63.200 -0.034 0.000 0.899 240 S HN 1.996 nan 8.310 nan 0.000 0.542 241 A N 2.657 125.466 122.820 -0.019 0.000 1.917 241 A HA 0.059 4.383 4.320 0.005 0.000 0.219 241 A C 2.241 179.815 177.584 -0.016 0.000 1.182 241 A CA 1.940 53.970 52.037 -0.012 0.000 0.633 241 A CB -1.894 17.102 19.000 -0.006 0.000 0.819 241 A HN 1.199 nan 8.150 nan 0.000 0.448 242 G N -0.464 108.324 108.800 -0.019 0.000 2.446 242 G HA2 -0.271 3.692 3.960 0.005 0.000 0.217 242 G HA3 -0.271 3.692 3.960 0.005 0.000 0.217 242 G C 1.476 176.361 174.900 -0.026 0.000 1.168 242 G CA 1.414 46.502 45.100 -0.020 0.000 0.771 242 G HN 0.607 nan 8.290 nan 0.000 0.551 243 E N 0.889 121.069 120.200 -0.034 0.000 2.106 243 E HA 0.105 4.459 4.350 0.005 0.000 0.192 243 E C 2.587 179.153 176.600 -0.056 0.000 0.984 243 E CA 1.383 57.755 56.400 -0.047 0.000 0.806 243 E CB -0.488 29.179 29.700 -0.055 0.000 0.750 243 E HN 0.291 nan 8.360 nan 0.000 0.458 244 A N 0.801 123.596 122.820 -0.043 0.000 1.930 244 A HA -0.121 4.202 4.320 0.005 0.000 0.217 244 A C 2.259 179.842 177.584 -0.001 0.000 1.175 244 A CA 1.505 53.526 52.037 -0.027 0.000 0.627 244 A CB -0.560 18.442 19.000 0.004 0.000 0.815 244 A HN 0.269 nan 8.150 nan 0.000 0.443 245 R N -0.341 120.153 120.500 -0.009 0.000 2.073 245 R HA -0.140 4.203 4.340 0.005 0.000 0.234 245 R C 2.444 178.738 176.300 -0.010 0.000 1.134 245 R CA 1.607 57.702 56.100 -0.009 0.000 0.952 245 R CB -0.353 29.939 30.300 -0.013 0.000 0.850 245 R HN 0.505 nan 8.270 nan 0.000 0.433 246 R N 0.533 121.022 120.500 -0.019 0.000 2.083 246 R HA -0.163 4.180 4.340 0.005 0.000 0.237 246 R C 2.194 178.482 176.300 -0.020 0.000 1.137 246 R CA 1.976 58.064 56.100 -0.021 0.000 0.951 246 R CB -0.142 30.142 30.300 -0.028 0.000 0.851 246 R HN 0.274 nan 8.270 nan 0.000 0.434 247 R N -0.250 120.223 120.500 -0.046 0.000 2.092 247 R HA -0.022 4.321 4.340 0.005 0.000 0.231 247 R C 2.378 178.723 176.300 0.075 0.000 1.119 247 R CA 1.155 57.212 56.100 -0.072 0.000 0.970 247 R CB -0.297 29.828 30.300 -0.293 0.000 0.864 247 R HN 0.270 nan 8.270 nan 0.000 0.440 248 A N 0.786 123.680 122.820 0.124 0.000 1.883 248 A HA -0.227 4.097 4.320 0.005 0.000 0.217 248 A C 2.316 179.922 177.584 0.037 0.000 1.186 248 A CA 2.273 54.389 52.037 0.133 0.000 0.624 248 A CB -1.087 17.936 19.000 0.038 0.000 0.822 248 A HN 0.497 nan 8.150 nan 0.000 0.444 249 T N -2.150 112.410 114.554 0.010 0.000 2.857 249 T HA -0.087 4.266 4.350 0.005 0.000 0.266 249 T C 1.788 176.491 174.700 0.005 0.000 1.048 249 T CA 1.441 63.536 62.100 -0.008 0.000 1.139 249 T CB -0.418 68.442 68.868 -0.013 0.000 0.874 249 T HN 0.238 nan 8.240 nan 0.000 0.455 250 L N 0.748 121.983 121.223 0.021 0.000 2.083 250 L HA 0.197 4.540 4.340 0.005 0.000 0.209 250 L C 2.302 179.199 176.870 0.046 0.000 1.083 250 L CA 1.608 56.466 54.840 0.030 0.000 0.752 250 L CB -1.166 40.912 42.059 0.031 0.000 0.899 250 L HN 0.408 nan 8.230 nan 0.000 0.433 251 L N -0.321 120.949 121.223 0.079 0.000 2.056 251 L HA -0.045 4.298 4.340 0.005 0.000 0.207 251 L C 2.516 179.386 176.870 -0.001 0.000 1.078 251 L CA 1.911 56.801 54.840 0.083 0.000 0.749 251 L CB -0.860 41.304 42.059 0.174 0.000 0.901 251 L HN 0.260 nan 8.230 nan 0.000 0.433 252 A N -0.109 122.700 122.820 -0.019 0.000 1.873 252 A HA -0.260 4.063 4.320 0.005 0.000 0.218 252 A C 2.395 179.955 177.584 -0.041 0.000 1.193 252 A CA 2.023 54.034 52.037 -0.043 0.000 0.629 252 A CB -0.680 18.291 19.000 -0.050 0.000 0.826 252 A HN 0.505 nan 8.150 nan 0.000 0.447 253 R N -0.603 119.881 120.500 -0.027 0.000 2.115 253 R HA -0.177 4.166 4.340 0.005 0.000 0.239 253 R C 2.111 178.380 176.300 -0.051 0.000 1.133 253 R CA 1.817 57.901 56.100 -0.026 0.000 0.935 253 R CB -0.885 29.410 30.300 -0.008 0.000 0.853 253 R HN 0.577 nan 8.270 nan 0.000 0.433 254 L N 0.972 122.159 121.223 -0.061 0.000 2.189 254 L HA -0.141 4.203 4.340 0.005 0.000 0.214 254 L C 2.221 178.886 176.870 -0.341 0.000 1.097 254 L CA 1.001 55.756 54.840 -0.142 0.000 0.764 254 L CB -0.435 41.575 42.059 -0.083 0.000 0.900 254 L HN 0.193 nan 8.230 nan 0.000 0.436 255 V N -4.294 115.470 119.914 -0.250 0.000 3.621 255 V HA 0.506 4.629 4.120 0.005 0.000 0.285 255 V C 1.005 177.041 176.094 -0.097 0.000 1.346 255 V CA 0.258 62.424 62.300 -0.223 0.000 1.104 255 V CB 0.055 31.797 31.823 -0.134 0.000 0.913 255 V HN 0.411 nan 8.190 nan 0.000 0.432 256 G N -0.448 108.308 108.800 -0.073 0.000 2.455 256 G HA2 -0.112 3.851 3.960 0.005 0.000 0.169 256 G HA3 -0.112 3.851 3.960 0.005 0.000 0.169 256 G C -0.319 174.568 174.900 -0.023 0.000 1.074 256 G CA -0.227 44.852 45.100 -0.036 0.000 0.796 256 G HN 0.736 nan 8.290 nan 0.000 0.489 266 D N 1.412 121.801 120.400 -0.017 0.000 2.149 266 D HA -0.054 4.590 4.640 0.005 0.000 0.201 266 D C 1.396 177.682 176.300 -0.024 0.000 0.972 266 D CA 1.549 55.532 54.000 -0.028 0.000 0.835 266 D CB 0.103 40.885 40.800 -0.030 0.000 0.966 266 D HN 0.600 nan 8.370 nan 0.000 0.476 267 T N 1.492 116.039 114.554 -0.012 0.000 2.665 267 T HA -0.189 4.164 4.350 0.005 0.000 0.268 267 T C 1.771 176.470 174.700 -0.000 0.000 1.035 267 T CA 1.533 63.632 62.100 -0.002 0.000 1.151 267 T CB -0.269 68.601 68.868 0.003 0.000 0.862 267 T HN 0.348 nan 8.240 nan 0.000 0.438 268 E N 0.672 120.870 120.200 -0.003 0.000 2.152 268 E HA 0.078 4.432 4.350 0.005 0.000 0.192 268 E C 2.213 178.810 176.600 -0.005 0.000 0.983 268 E CA 0.374 56.773 56.400 -0.001 0.000 0.818 268 E CB -0.225 29.474 29.700 -0.002 0.000 0.758 268 E HN 0.344 nan 8.360 nan 0.000 0.467 269 L N 0.864 122.077 121.223 -0.017 0.000 1.994 269 L HA -0.181 4.162 4.340 0.005 0.000 0.208 269 L C 2.271 179.118 176.870 -0.038 0.000 1.071 269 L CA 1.332 56.153 54.840 -0.031 0.000 0.745 269 L CB -0.088 41.944 42.059 -0.045 0.000 0.892 269 L HN 0.158 nan 8.230 nan 0.000 0.431 270 I N -0.126 120.417 120.570 -0.047 0.000 2.179 270 I HA -0.282 3.891 4.170 0.005 0.000 0.242 270 I C 2.785 178.931 176.117 0.050 0.000 1.088 270 I CA 1.123 62.395 61.300 -0.046 0.000 1.357 270 I CB -0.541 37.435 38.000 -0.039 0.000 1.051 270 I HN 0.308 nan 8.210 nan 0.000 0.409 271 A N -0.086 122.758 122.820 0.040 0.000 1.948 271 A HA -0.333 3.990 4.320 0.005 0.000 0.220 271 A C 2.553 180.167 177.584 0.050 0.000 1.177 271 A CA 2.184 54.251 52.037 0.050 0.000 0.636 271 A CB -1.387 17.631 19.000 0.029 0.000 0.815 271 A HN 0.675 nan 8.150 nan 0.000 0.449 272 c N -0.594 118.025 118.600 0.032 0.000 2.462 272 c HA 0.016 4.589 4.570 0.005 0.000 0.278 272 c C 2.544 176.663 174.090 0.048 0.000 1.253 272 c CA 1.071 57.417 56.329 0.027 0.000 1.713 272 c CB -1.590 40.926 42.510 0.009 0.000 2.049 272 c HN 0.583 nan 8.230 nan 0.000 0.477 273 L N 0.564 121.822 121.223 0.058 0.000 2.089 273 L HA -0.192 4.151 4.340 0.005 0.000 0.213 273 L C 2.987 179.974 176.870 0.195 0.000 1.079 273 L CA 1.840 56.750 54.840 0.117 0.000 0.758 273 L CB -0.686 41.429 42.059 0.094 0.000 0.891 273 L HN 0.403 nan 8.230 nan 0.000 0.433 274 R N -0.664 119.958 120.500 0.204 0.000 2.328 274 R HA -0.101 4.242 4.340 0.005 0.000 0.207 274 R C 2.035 178.364 176.300 0.049 0.000 1.056 274 R CA 1.511 57.685 56.100 0.124 0.000 1.016 274 R CB -0.242 30.123 30.300 0.108 0.000 0.872 274 R HN 0.550 nan 8.270 nan 0.000 0.471 275 T N -2.179 112.405 114.554 0.050 0.000 3.044 275 T HA 0.141 4.494 4.350 0.005 0.000 0.250 275 T C 0.891 175.605 174.700 0.023 0.000 1.081 275 T CA -0.270 61.846 62.100 0.027 0.000 1.040 275 T CB 0.261 69.144 68.868 0.024 0.000 0.962 275 T HN -0.098 nan 8.240 nan 0.000 0.506 276 R N 2.687 123.208 120.500 0.035 0.000 2.490 276 R HA 0.380 4.723 4.340 0.005 0.000 0.280 276 R C -2.740 173.572 176.300 0.020 0.000 1.077 276 R CA -2.093 54.026 56.100 0.031 0.000 1.065 276 R CB -0.274 30.049 30.300 0.038 0.000 1.003 276 R HN 0.256 nan 8.270 nan 0.000 0.470 277 P HA 0.054 nan 4.420 nan 0.000 0.271 277 P C 0.282 177.560 177.300 -0.036 0.000 1.216 277 P CA 0.025 63.112 63.100 -0.020 0.000 0.776 277 P CB 0.622 32.319 31.700 -0.006 0.000 0.881 278 A N 2.504 125.236 122.820 -0.147 0.000 1.927 278 A HA -0.301 4.022 4.320 0.005 0.000 0.220 278 A C 2.182 179.675 177.584 -0.153 0.000 1.185 278 A CA 2.099 54.021 52.037 -0.192 0.000 0.639 278 A CB -1.318 17.123 19.000 -0.932 0.000 0.820 278 A HN 0.556 nan 8.150 nan 0.000 0.451 279 Q N -0.096 119.593 119.800 -0.185 0.000 2.170 279 Q HA -0.172 4.171 4.340 0.005 0.000 0.203 279 Q C 1.352 177.434 176.000 0.136 0.000 0.976 279 Q CA 2.053 57.906 55.803 0.083 0.000 0.858 279 Q CB -0.406 28.418 28.738 0.144 0.000 0.907 279 Q HN 0.650 nan 8.270 nan 0.000 0.433 280 D N -0.620 119.848 120.400 0.112 0.000 2.117 280 D HA -0.138 4.505 4.640 0.005 0.000 0.197 280 D C 1.680 178.111 176.300 0.219 0.000 0.987 280 D CA 1.068 55.176 54.000 0.181 0.000 0.829 280 D CB -0.102 40.785 40.800 0.144 0.000 0.961 280 D HN 0.288 nan 8.370 nan 0.000 0.460 281 L N -0.086 121.207 121.223 0.117 0.000 2.017 281 L HA -0.145 4.199 4.340 0.005 0.000 0.208 281 L C 2.457 179.370 176.870 0.072 0.000 1.073 281 L CA 0.697 55.553 54.840 0.028 0.000 0.745 281 L CB -0.609 41.336 42.059 -0.190 0.000 0.894 281 L HN -0.009 nan 8.230 nan 0.000 0.432 282 V N -0.105 119.914 119.914 0.175 0.000 2.343 282 V HA -0.290 3.833 4.120 0.005 0.000 0.247 282 V C 1.979 178.202 176.094 0.215 0.000 1.051 282 V CA 1.898 64.358 62.300 0.266 0.000 1.036 282 V CB -0.576 31.511 31.823 0.440 0.000 0.654 282 V HN 0.426 nan 8.190 nan 0.000 0.451 283 D N -1.030 119.456 120.400 0.143 0.000 2.309 283 D HA -0.121 4.522 4.640 0.005 0.000 0.212 283 D C 1.646 177.742 176.300 -0.340 0.000 0.968 283 D CA 1.238 55.221 54.000 -0.028 0.000 0.882 283 D CB -0.158 40.590 40.800 -0.087 0.000 0.918 283 D HN 0.651 nan 8.370 nan 0.000 0.503 284 H N -1.270 117.771 119.070 -0.048 0.000 2.893 284 H HA 0.112 4.671 4.556 0.005 0.000 0.270 284 H C 1.608 176.808 175.328 -0.213 0.000 1.095 284 H CA 0.091 56.009 56.048 -0.218 0.000 1.186 284 H CB 0.524 30.273 29.762 -0.022 0.000 1.562 284 H HN 0.197 nan 8.280 nan 0.000 0.536 285 E N 0.446 120.634 120.200 -0.019 0.000 2.204 285 E HA -0.200 4.153 4.350 0.005 0.000 0.195 285 E C 0.720 177.249 176.600 -0.118 0.000 0.990 285 E CA 1.020 57.431 56.400 0.019 0.000 0.821 285 E CB -0.235 29.454 29.700 -0.018 0.000 0.750 285 E HN 0.540 nan 8.360 nan 0.000 0.477 286 W N 0.538 121.772 121.300 -0.110 0.000 2.937 286 W HA 0.033 4.696 4.660 0.005 0.000 0.245 286 W C 1.364 177.972 176.519 0.149 0.000 1.306 286 W CA 0.228 57.549 57.345 -0.041 0.000 1.470 286 W CB 0.223 29.629 29.460 -0.090 0.000 1.132 286 W HN 0.232 nan 8.180 nan 0.000 0.675 287 H N -0.778 118.427 119.070 0.226 0.000 2.539 287 H HA 0.058 4.617 4.556 0.005 0.000 0.267 287 H C 1.985 177.373 175.328 0.101 0.000 0.982 287 H CA 0.763 56.911 56.048 0.167 0.000 1.146 287 H CB -0.773 29.102 29.762 0.189 0.000 1.382 287 H HN 0.207 nan 8.280 nan 0.000 0.577 288 V N -1.947 118.062 119.914 0.159 0.000 3.542 288 V HA 0.240 4.363 4.120 0.005 0.000 0.296 288 V C 0.635 176.716 176.094 -0.022 0.000 1.364 288 V CA -0.176 62.152 62.300 0.048 0.000 1.118 288 V CB -0.633 31.182 31.823 -0.014 0.000 0.972 288 V HN 0.007 nan 8.190 nan 0.000 0.430 289 L N 1.708 122.940 121.223 0.015 0.000 2.416 289 L HA 0.295 4.638 4.340 0.005 0.000 0.272 289 L C -0.673 176.200 176.870 0.004 0.000 1.161 289 L CA -1.202 53.634 54.840 -0.007 0.000 0.845 289 L CB 0.838 42.922 42.059 0.040 0.000 1.119 289 L HN 0.129 nan 8.230 nan 0.000 0.464 290 P HA -0.087 nan 4.420 nan 0.000 0.217 290 P C -0.533 176.768 177.300 0.001 0.000 1.150 290 P CA 1.125 64.219 63.100 -0.010 0.000 0.832 290 P CB 0.354 32.042 31.700 -0.019 0.000 0.787 291 Q N -1.702 118.100 119.800 0.004 0.000 2.495 291 Q HA 0.321 4.664 4.340 0.005 0.000 0.287 291 Q C -0.694 175.314 176.000 0.014 0.000 1.078 291 Q CA -0.790 55.018 55.803 0.008 0.000 0.793 291 Q CB 1.206 29.946 28.738 0.003 0.000 1.459 291 Q HN -0.059 nan 8.270 nan 0.000 0.422 292 E N 0.997 121.205 120.200 0.013 0.000 2.415 292 E HA 0.281 4.634 4.350 0.005 0.000 0.260 292 E C -1.044 175.561 176.600 0.009 0.000 1.016 292 E CA 0.164 56.573 56.400 0.014 0.000 0.924 292 E CB 0.294 30.000 29.700 0.010 0.000 0.961 292 E HN 0.585 nan 8.360 nan 0.000 0.459 293 S N 3.929 119.633 115.700 0.007 0.000 2.565 293 S HA 0.559 5.033 4.470 0.005 0.000 0.269 293 S C -0.370 174.222 174.600 -0.014 0.000 1.153 293 S CA -1.090 57.108 58.200 -0.004 0.000 0.835 293 S CB 0.696 63.890 63.200 -0.011 0.000 1.122 293 S HN 0.513 nan 8.310 nan 0.000 0.462 294 I N -1.796 118.766 120.570 -0.015 0.000 2.750 294 I HA 0.752 4.925 4.170 0.005 0.000 0.308 294 I C -0.208 175.870 176.117 -0.065 0.000 1.016 294 I CA -1.056 60.236 61.300 -0.013 0.000 1.098 294 I CB 0.757 38.791 38.000 0.056 0.000 1.279 294 I HN 0.763 nan 8.210 nan 0.000 0.454 295 F N 2.135 121.857 119.950 -0.381 0.000 3.071 295 F HA -0.184 4.347 4.527 0.006 0.000 0.295 295 F C -0.362 174.923 175.800 -0.859 0.000 0.919 295 F CA 0.553 58.098 58.000 -0.758 0.000 1.050 295 F CB -0.606 37.861 39.000 -0.889 0.000 1.040 295 F HN 0.604 nan 8.300 nan 0.000 0.692 296 R N 0.718 120.761 120.500 -0.762 0.000 2.574 296 R HA 0.581 4.924 4.340 0.005 0.000 0.288 296 R C -1.031 174.846 176.300 -0.706 0.000 1.004 296 R CA -0.534 55.222 56.100 -0.574 0.000 0.895 296 R CB 1.253 31.446 30.300 -0.178 0.000 1.191 296 R HN 0.016 nan 8.270 nan 0.000 0.444 297 F N -0.571 119.472 119.950 0.154 0.000 2.546 297 F HA 0.373 4.902 4.527 0.005 0.000 0.320 297 F C 1.581 177.295 175.800 -0.142 0.000 1.076 297 F CA -0.800 57.201 58.000 0.002 0.000 0.928 297 F CB 1.817 40.910 39.000 0.154 0.000 1.189 297 F HN 0.340 nan 8.300 nan 0.000 0.465 298 S N 0.693 116.276 115.700 -0.195 0.000 2.368 298 S HA 0.009 4.483 4.470 0.005 0.000 0.224 298 S C -0.042 174.156 174.600 -0.670 0.000 1.029 298 S CA 1.146 59.072 58.200 -0.456 0.000 0.988 298 S CB -0.203 62.673 63.200 -0.539 0.000 0.838 298 S HN 0.363 nan 8.310 nan 0.000 0.462 299 F N 1.359 121.306 119.950 -0.005 0.000 2.430 299 F HA 0.537 5.067 4.527 0.005 0.000 0.362 299 F C -0.082 175.710 175.800 -0.014 0.000 1.103 299 F CA -0.950 57.074 58.000 0.041 0.000 1.045 299 F CB 1.384 40.438 39.000 0.090 0.000 1.276 299 F HN -0.116 nan 8.300 nan 0.000 0.444 300 V N 0.648 120.523 119.914 -0.064 0.000 3.167 300 V HA 0.765 4.888 4.120 0.005 0.000 0.310 300 V C -2.904 172.847 176.094 -0.571 0.000 1.207 300 V CA -3.375 58.566 62.300 -0.598 0.000 1.059 300 V CB 2.050 33.672 31.823 -0.334 0.000 1.079 300 V HN 0.245 nan 8.190 nan 0.000 0.446 301 P HA 0.100 nan 4.420 nan 0.000 0.261 301 P C -0.540 176.637 177.300 -0.206 0.000 1.173 301 P CA 0.600 63.449 63.100 -0.418 0.000 0.760 301 P CB 0.453 31.826 31.700 -0.545 0.000 0.783 302 V N 5.556 125.429 119.914 -0.069 0.000 2.532 302 V HA 0.185 4.308 4.120 0.005 0.000 0.295 302 V C -0.132 175.948 176.094 -0.024 0.000 1.041 302 V CA -0.741 61.535 62.300 -0.039 0.000 0.926 302 V CB 1.833 33.661 31.823 0.007 0.000 0.992 302 V HN 0.135 nan 8.190 nan 0.000 0.457 303 V N 7.330 127.229 119.914 -0.024 0.000 2.341 303 V HA 0.181 4.304 4.120 0.005 0.000 0.248 303 V C 0.685 176.788 176.094 0.015 0.000 1.107 303 V CA 0.207 62.506 62.300 -0.002 0.000 1.069 303 V CB 0.214 32.028 31.823 -0.016 0.000 1.177 303 V HN 1.052 nan 8.190 nan 0.000 0.492 304 D N 2.680 123.104 120.400 0.040 0.000 2.369 304 D HA 0.118 4.761 4.640 0.005 0.000 0.211 304 D C 1.452 177.776 176.300 0.041 0.000 1.077 304 D CA 0.426 54.451 54.000 0.042 0.000 0.842 304 D CB 0.368 41.203 40.800 0.059 0.000 0.947 304 D HN 0.644 nan 8.370 nan 0.000 0.509 305 G N 0.754 109.577 108.800 0.039 0.000 2.283 305 G HA2 -0.314 3.649 3.960 0.005 0.000 0.280 305 G HA3 -0.314 3.649 3.960 0.005 0.000 0.280 305 G C 0.153 175.076 174.900 0.037 0.000 1.029 305 G CA 0.910 46.029 45.100 0.030 0.000 0.840 305 G HN 0.534 nan 8.290 nan 0.000 0.505 306 D N -1.965 118.473 120.400 0.063 0.000 2.756 306 D HA 0.179 4.823 4.640 0.005 0.000 0.148 306 D C 1.629 177.980 176.300 0.085 0.000 1.444 306 D CA 0.282 54.324 54.000 0.069 0.000 1.556 306 D CB -0.713 40.140 40.800 0.089 0.000 1.646 306 D HN 0.052 nan 8.370 nan 0.000 0.205 307 F N 1.516 121.478 119.950 0.020 0.000 2.065 307 F HA 0.133 4.663 4.527 0.005 0.000 0.298 307 F C 0.693 176.501 175.800 0.014 0.000 1.112 307 F CA 1.341 59.356 58.000 0.025 0.000 1.212 307 F CB 0.087 39.102 39.000 0.023 0.000 0.975 307 F HN -0.002 nan 8.300 nan 0.000 0.476 308 L N 0.830 122.227 121.223 0.290 0.000 2.262 308 L HA 0.182 4.525 4.340 0.005 0.000 0.288 308 L C 1.342 178.258 176.870 0.076 0.000 1.035 308 L CA -0.100 54.834 54.840 0.156 0.000 0.820 308 L CB 1.421 43.563 42.059 0.138 0.000 1.204 308 L HN 0.145 nan 8.230 nan 0.000 0.424 309 S N 0.713 116.436 115.700 0.038 0.000 2.436 309 S HA 0.012 4.485 4.470 0.005 0.000 0.228 309 S C 0.445 175.055 174.600 0.017 0.000 1.014 309 S CA 0.338 58.550 58.200 0.020 0.000 0.950 309 S CB 0.258 63.460 63.200 0.003 0.000 0.784 309 S HN 0.703 nan 8.310 nan 0.000 0.504 310 D N 0.419 120.830 120.400 0.018 0.000 2.812 310 D HA 0.344 4.988 4.640 0.005 0.000 0.318 310 D C -0.805 175.499 176.300 0.007 0.000 1.234 310 D CA 0.008 54.014 54.000 0.010 0.000 0.989 310 D CB 1.431 42.236 40.800 0.007 0.000 1.442 310 D HN 0.236 nan 8.370 nan 0.000 0.537 311 T N -1.064 113.487 114.554 -0.004 0.000 2.926 311 T HA 0.287 4.640 4.350 0.005 0.000 0.307 311 T C -1.829 172.865 174.700 -0.010 0.000 1.059 311 T CA -0.797 61.293 62.100 -0.017 0.000 1.122 311 T CB 1.157 70.008 68.868 -0.029 0.000 0.972 311 T HN 0.098 nan 8.240 nan 0.000 0.545 312 P HA -0.125 nan 4.420 nan 0.000 0.216 312 P C 1.482 178.774 177.300 -0.014 0.000 1.150 312 P CA 1.084 64.171 63.100 -0.021 0.000 0.843 312 P CB 0.061 31.719 31.700 -0.069 0.000 0.787 313 E N -0.234 119.947 120.200 -0.031 0.000 2.058 313 E HA -0.242 4.111 4.350 0.005 0.000 0.194 313 E C 1.872 178.477 176.600 0.007 0.000 0.997 313 E CA 1.487 57.875 56.400 -0.020 0.000 0.801 313 E CB -0.484 29.198 29.700 -0.031 0.000 0.746 313 E HN 0.088 nan 8.360 nan 0.000 0.450 314 A N 1.155 123.980 122.820 0.008 0.000 1.855 314 A HA -0.143 4.180 4.320 0.005 0.000 0.215 314 A C 2.276 179.884 177.584 0.041 0.000 1.191 314 A CA 1.349 53.397 52.037 0.018 0.000 0.613 314 A CB -0.801 18.204 19.000 0.009 0.000 0.829 314 A HN 0.305 nan 8.150 nan 0.000 0.442 315 L N 0.042 121.296 121.223 0.051 0.000 2.042 315 L HA -0.205 4.139 4.340 0.005 0.000 0.210 315 L C 2.565 179.543 176.870 0.179 0.000 1.076 315 L CA 1.764 56.658 54.840 0.089 0.000 0.749 315 L CB -0.795 41.319 42.059 0.092 0.000 0.893 315 L HN 0.690 nan 8.230 nan 0.000 0.432 316 I N -3.194 117.476 120.570 0.167 0.000 2.676 316 I HA -0.106 4.067 4.170 0.005 0.000 0.259 316 I C 1.708 177.958 176.117 0.222 0.000 1.194 316 I CA 1.226 62.667 61.300 0.234 0.000 1.473 316 I CB -0.396 37.643 38.000 0.064 0.000 1.096 316 I HN 0.150 nan 8.210 nan 0.000 0.443 317 N N 0.920 119.695 118.700 0.125 0.000 2.463 317 N HA -0.037 4.706 4.740 0.005 0.000 0.181 317 N C 1.535 177.090 175.510 0.076 0.000 1.078 317 N CA 1.573 54.677 53.050 0.090 0.000 0.902 317 N CB 0.142 38.660 38.487 0.051 0.000 0.970 317 N HN 0.728 nan 8.380 nan 0.000 0.451 318 T N -5.116 109.479 114.554 0.069 0.000 3.046 318 T HA 0.274 4.627 4.350 0.005 0.000 0.270 318 T C 0.877 175.534 174.700 -0.073 0.000 0.920 318 T CA -0.239 61.865 62.100 0.006 0.000 0.874 318 T CB -0.007 68.859 68.868 -0.003 0.000 1.214 318 T HN -0.004 nan 8.240 nan 0.000 0.536 319 G N 1.057 109.783 108.800 -0.122 0.000 2.539 319 G HA2 0.459 4.422 3.960 0.005 0.000 0.258 319 G HA3 0.459 4.422 3.960 0.005 0.000 0.258 319 G C -1.113 173.293 174.900 -0.823 0.000 1.202 319 G CA -0.395 44.420 45.100 -0.476 0.000 0.851 319 G HN 0.368 nan 8.290 nan 0.000 0.556 320 D N -0.307 119.642 120.400 -0.751 0.000 2.280 320 D HA 0.399 5.042 4.640 0.005 0.000 0.243 320 D C -0.394 175.479 176.300 -0.711 0.000 1.129 320 D CA -0.509 53.157 54.000 -0.556 0.000 0.848 320 D CB 0.568 41.209 40.800 -0.266 0.000 1.107 320 D HN 0.102 nan 8.370 nan 0.000 0.471 321 F N 2.502 122.460 119.950 0.012 0.000 2.908 321 F HA 0.255 4.785 4.527 0.005 0.000 0.328 321 F C 1.726 177.536 175.800 0.017 0.000 1.211 321 F CA -0.493 57.518 58.000 0.019 0.000 1.291 321 F CB 0.193 39.213 39.000 0.033 0.000 0.962 321 F HN 0.357 nan 8.300 nan 0.000 0.505 322 Q N 1.527 121.378 119.800 0.086 0.000 2.045 322 Q HA -0.185 4.158 4.340 0.005 0.000 0.206 322 Q C 1.970 178.013 176.000 0.071 0.000 0.991 322 Q CA 2.563 58.403 55.803 0.062 0.000 0.851 322 Q CB -0.441 28.306 28.738 0.015 0.000 0.911 322 Q HN 0.653 nan 8.270 nan 0.000 0.418 323 D N -0.662 119.775 120.400 0.061 0.000 2.344 323 D HA 0.225 4.868 4.640 0.005 0.000 0.242 323 D C -0.292 176.049 176.300 0.068 0.000 1.159 323 D CA -0.021 54.007 54.000 0.046 0.000 0.859 323 D CB -0.229 40.580 40.800 0.015 0.000 0.925 323 D HN 0.080 nan 8.370 nan 0.000 0.510 324 L N -0.045 121.245 121.223 0.112 0.000 2.356 324 L HA 0.512 4.855 4.340 0.005 0.000 0.277 324 L C -0.959 175.993 176.870 0.138 0.000 0.996 324 L CA -0.796 54.124 54.840 0.133 0.000 0.822 324 L CB 2.288 44.460 42.059 0.189 0.000 1.256 324 L HN 0.057 nan 8.230 nan 0.000 0.413 325 Q N 3.237 123.131 119.800 0.157 0.000 2.282 325 Q HA 0.803 5.147 4.340 0.005 0.000 0.260 325 Q C -1.387 174.879 176.000 0.444 0.000 0.964 325 Q CA -0.452 55.501 55.803 0.250 0.000 0.880 325 Q CB 2.615 31.445 28.738 0.153 0.000 1.286 325 Q HN 0.467 nan 8.270 nan 0.000 0.445 326 V N 2.519 122.689 119.914 0.426 0.000 2.733 326 V HA 0.403 4.526 4.120 0.005 0.000 0.306 326 V C -1.586 174.467 176.094 -0.068 0.000 1.084 326 V CA -0.856 61.590 62.300 0.243 0.000 0.905 326 V CB 2.077 33.954 31.823 0.091 0.000 1.010 326 V HN 0.564 nan 8.190 nan 0.000 0.424 327 L N 6.845 127.781 121.223 -0.479 0.000 2.296 327 L HA 0.904 5.247 4.340 0.005 0.000 0.286 327 L C -0.434 176.343 176.870 -0.156 0.000 1.023 327 L CA -0.280 54.239 54.840 -0.534 0.000 0.812 327 L CB 1.582 42.899 42.059 -1.236 0.000 1.223 327 L HN 0.631 nan 8.230 nan 0.000 0.421 328 V N 2.288 122.202 119.914 0.000 0.000 2.925 328 V HA 1.120 5.243 4.120 0.005 0.000 0.311 328 V C -0.293 175.678 176.094 -0.206 0.000 1.104 328 V CA 0.218 62.509 62.300 -0.016 0.000 0.954 328 V CB 1.247 33.013 31.823 -0.095 0.000 1.022 328 V HN 1.070 nan 8.190 nan 0.000 0.427 329 G N 1.326 109.868 108.800 -0.430 0.000 2.606 329 G HA2 0.865 4.828 3.960 0.005 0.000 0.300 329 G HA3 0.865 4.828 3.960 0.005 0.000 0.300 329 G C -1.120 173.499 174.900 -0.469 0.000 1.360 329 G CA -0.035 44.337 45.100 -1.213 0.000 0.783 329 G HN 2.125 nan 8.290 nan 0.000 0.484 330 V N -2.518 117.196 119.914 -0.333 0.000 3.188 330 V HA 0.891 5.014 4.120 0.005 0.000 0.305 330 V C 0.072 176.310 176.094 0.239 0.000 1.232 330 V CA -0.403 61.919 62.300 0.037 0.000 1.043 330 V CB 1.083 32.908 31.823 0.003 0.000 1.068 330 V HN 1.847 nan 8.190 nan 0.000 0.439 331 V N -0.053 120.037 119.914 0.293 0.000 3.109 331 V HA 0.580 4.703 4.120 0.005 0.000 0.317 331 V C 1.376 177.647 176.094 0.294 0.000 1.074 331 V CA 0.101 62.630 62.300 0.383 0.000 1.033 331 V CB 1.309 33.356 31.823 0.373 0.000 1.111 331 V HN 1.093 nan 8.190 nan 0.000 0.458 332 K N -0.187 120.390 120.400 0.295 0.000 2.097 332 K HA -0.057 4.266 4.320 0.005 0.000 0.206 332 K C 0.389 177.108 176.600 0.198 0.000 1.049 332 K CA 1.834 58.250 56.287 0.215 0.000 0.933 332 K CB 0.070 32.679 32.500 0.182 0.000 0.717 332 K HN 0.902 nan 8.250 nan 0.000 0.442 333 D N 1.044 121.572 120.400 0.214 0.000 2.634 333 D HA 0.026 4.669 4.640 0.005 0.000 0.318 333 D C 0.123 176.562 176.300 0.231 0.000 1.226 333 D CA -0.069 54.049 54.000 0.197 0.000 0.899 333 D CB 1.307 42.202 40.800 0.158 0.000 1.025 333 D HN 0.116 nan 8.370 nan 0.000 0.501 334 E N 0.596 120.941 120.200 0.243 0.000 2.130 334 E HA -0.142 4.211 4.350 0.005 0.000 0.196 334 E C 1.942 178.735 176.600 0.322 0.000 0.998 334 E CA 0.854 57.433 56.400 0.297 0.000 0.806 334 E CB 0.113 29.941 29.700 0.214 0.000 0.738 334 E HN 0.466 nan 8.360 nan 0.000 0.459 335 G N 0.738 109.689 108.800 0.252 0.000 2.539 335 G HA2 -0.156 3.807 3.960 0.005 0.000 0.215 335 G HA3 -0.156 3.807 3.960 0.005 0.000 0.215 335 G C 1.708 176.815 174.900 0.344 0.000 1.141 335 G CA 0.805 46.075 45.100 0.283 0.000 0.806 335 G HN 0.375 nan 8.290 nan 0.000 0.533 336 S N 0.217 116.060 115.700 0.238 0.000 2.374 336 S HA -0.289 4.185 4.470 0.005 0.000 0.227 336 S C 2.111 176.734 174.600 0.040 0.000 1.037 336 S CA 1.473 59.764 58.200 0.152 0.000 1.024 336 S CB -0.881 62.325 63.200 0.011 0.000 0.861 336 S HN 0.426 nan 8.310 nan 0.000 0.456 337 Y N 1.707 121.902 120.300 -0.176 0.000 2.139 337 Y HA -0.230 4.324 4.550 0.005 0.000 0.282 337 Y C 1.821 177.549 175.900 -0.286 0.000 1.179 337 Y CA 2.112 59.953 58.100 -0.432 0.000 1.161 337 Y CB -0.498 37.617 38.460 -0.575 0.000 0.970 337 Y HN 0.306 nan 8.280 nan 0.000 0.511 338 F N -0.905 119.142 119.950 0.161 0.000 2.293 338 F HA -0.132 4.398 4.527 0.005 0.000 0.297 338 F C 2.029 177.880 175.800 0.087 0.000 1.089 338 F CA 0.806 58.883 58.000 0.129 0.000 1.377 338 F CB -0.659 38.345 39.000 0.007 0.000 1.051 338 F HN -0.029 nan 8.300 nan 0.000 0.511 339 L N 0.180 121.480 121.223 0.128 0.000 2.127 339 L HA -0.173 4.170 4.340 0.005 0.000 0.211 339 L C 2.367 179.255 176.870 0.029 0.000 1.089 339 L CA 1.246 55.997 54.840 -0.149 0.000 0.757 339 L CB -1.076 40.594 42.059 -0.648 0.000 0.899 339 L HN 0.198 nan 8.230 nan 0.000 0.434 340 V N -4.886 115.115 119.914 0.146 0.000 3.380 340 V HA -0.149 3.975 4.120 0.005 0.000 0.268 340 V C 0.934 177.009 176.094 -0.031 0.000 1.168 340 V CA 0.556 62.952 62.300 0.160 0.000 1.156 340 V CB -1.193 30.750 31.823 0.201 0.000 0.785 340 V HN 0.259 nan 8.190 nan 0.000 0.487 341 Y N 2.434 122.755 120.300 0.036 0.000 2.903 341 Y HA 0.634 5.187 4.550 0.005 0.000 0.387 341 Y C 1.491 177.378 175.900 -0.021 0.000 1.189 341 Y CA 0.169 58.261 58.100 -0.015 0.000 1.856 341 Y CB 0.090 38.526 38.460 -0.040 0.000 1.917 341 Y HN 0.408 nan 8.280 nan 0.000 0.448 342 G N -0.018 108.837 108.800 0.093 0.000 2.141 342 G HA2 -0.202 3.761 3.960 0.005 0.000 0.195 342 G HA3 -0.202 3.761 3.960 0.005 0.000 0.195 342 G C -0.650 174.301 174.900 0.085 0.000 1.012 342 G CA -0.282 44.859 45.100 0.068 0.000 0.696 342 G HN 0.219 nan 8.290 nan 0.000 0.508 343 V N 1.366 121.352 119.914 0.121 0.000 2.364 343 V HA 0.435 4.558 4.120 0.005 0.000 0.272 343 V C -1.623 174.639 176.094 0.280 0.000 1.036 343 V CA -1.705 60.693 62.300 0.163 0.000 0.880 343 V CB 1.467 33.333 31.823 0.072 0.000 0.991 343 V HN 0.168 nan 8.190 nan 0.000 0.460 344 P HA 0.370 nan 4.420 nan 0.000 0.271 344 P C 0.930 178.311 177.300 0.135 0.000 1.226 344 P CA 0.810 63.990 63.100 0.135 0.000 0.765 344 P CB 0.934 32.678 31.700 0.074 0.000 0.835 345 G N 1.677 110.501 108.800 0.041 0.000 2.380 345 G HA2 -0.172 3.791 3.960 0.005 0.000 0.197 345 G HA3 -0.172 3.791 3.960 0.005 0.000 0.197 345 G C -0.280 174.405 174.900 -0.358 0.000 1.001 345 G CA -0.583 44.407 45.100 -0.184 0.000 0.668 345 G HN 0.382 nan 8.290 nan 0.000 0.483 346 F N 1.632 121.567 119.950 -0.025 0.000 2.422 346 F HA 0.832 5.362 4.527 0.005 0.000 0.333 346 F C 0.621 176.472 175.800 0.084 0.000 1.095 346 F CA -0.106 57.886 58.000 -0.012 0.000 1.038 346 F CB 2.246 41.287 39.000 0.069 0.000 1.156 346 F HN 0.182 nan 8.300 nan 0.000 0.483 347 S N 1.019 116.918 115.700 0.332 0.000 2.567 347 S HA 0.268 4.742 4.470 0.005 0.000 0.270 347 S C 0.115 175.002 174.600 0.480 0.000 1.152 347 S CA -0.852 57.557 58.200 0.348 0.000 0.835 347 S CB 1.388 64.700 63.200 0.187 0.000 1.115 347 S HN 0.763 nan 8.310 nan 0.000 0.459 348 K N 0.872 121.468 120.400 0.327 0.000 2.432 348 K HA 0.148 4.471 4.320 0.005 0.000 0.196 348 K C 0.043 176.662 176.600 0.033 0.000 1.038 348 K CA 1.047 57.418 56.287 0.140 0.000 0.986 348 K CB -0.072 32.211 32.500 -0.360 0.000 0.782 348 K HN 0.442 nan 8.250 nan 0.000 0.485 349 D N 0.804 121.228 120.400 0.040 0.000 2.367 349 D HA 0.001 4.644 4.640 0.005 0.000 0.207 349 D C -0.086 176.238 176.300 0.040 0.000 1.034 349 D CA 0.318 54.310 54.000 -0.013 0.000 0.861 349 D CB 0.136 40.914 40.800 -0.036 0.000 0.943 349 D HN 0.493 nan 8.370 nan 0.000 0.515 350 N N -0.714 118.038 118.700 0.087 0.000 3.167 350 N HA 0.116 4.859 4.740 0.005 0.000 0.323 350 N C 0.478 176.009 175.510 0.035 0.000 1.478 350 N CA -0.508 52.563 53.050 0.035 0.000 0.753 350 N CB 0.782 39.249 38.487 -0.034 0.000 1.721 350 N HN -0.421 nan 8.380 nan 0.000 0.618 351 E N -0.539 119.604 120.200 -0.095 0.000 2.482 351 E HA 0.026 4.379 4.350 0.005 0.000 0.196 351 E C -0.332 175.864 176.600 -0.674 0.000 1.047 351 E CA 0.303 56.558 56.400 -0.241 0.000 0.869 351 E CB -0.623 28.991 29.700 -0.144 0.000 0.836 351 E HN 0.595 nan 8.360 nan 0.000 0.520 352 S N 0.307 115.658 115.700 -0.583 0.000 3.521 352 S HA -0.205 4.268 4.470 0.005 0.000 0.362 352 S C 0.440 174.583 174.600 -0.762 0.000 1.044 352 S CA 0.228 57.961 58.200 -0.779 0.000 1.091 352 S CB -2.044 60.465 63.200 -1.152 0.000 0.908 352 S HN 0.319 nan 8.310 nan 0.000 0.473 353 L N 1.501 122.436 121.223 -0.480 0.000 2.500 353 L HA 0.332 4.675 4.340 0.005 0.000 0.272 353 L C 0.736 177.396 176.870 -0.351 0.000 1.149 353 L CA 0.106 54.731 54.840 -0.357 0.000 0.897 353 L CB -0.086 41.837 42.059 -0.227 0.000 1.178 353 L HN 0.438 nan 8.230 nan 0.000 0.473 354 I N 0.135 120.500 120.570 -0.342 0.000 2.982 354 I HA 0.668 4.841 4.170 0.005 0.000 0.312 354 I C 0.478 176.516 176.117 -0.132 0.000 1.041 354 I CA -0.673 60.463 61.300 -0.273 0.000 1.053 354 I CB 1.937 39.739 38.000 -0.329 0.000 1.248 354 I HN 0.544 nan 8.210 nan 0.000 0.471 355 S N 1.988 117.643 115.700 -0.074 0.000 2.669 355 S HA 0.381 4.854 4.470 0.005 0.000 0.270 355 S C 0.938 175.563 174.600 0.041 0.000 1.225 355 S CA -0.441 57.745 58.200 -0.023 0.000 0.991 355 S CB 1.460 64.651 63.200 -0.015 0.000 0.987 355 S HN 0.874 nan 8.310 nan 0.000 0.552 356 R N 0.347 120.874 120.500 0.046 0.000 2.120 356 R HA -0.034 4.309 4.340 0.005 0.000 0.234 356 R C 2.251 178.643 176.300 0.154 0.000 1.123 356 R CA 1.474 57.641 56.100 0.111 0.000 0.975 356 R CB -1.026 29.310 30.300 0.060 0.000 0.866 356 R HN 0.822 nan 8.270 nan 0.000 0.446 357 A N 0.511 123.383 122.820 0.088 0.000 1.898 357 A HA -0.176 4.147 4.320 0.005 0.000 0.216 357 A C 1.988 179.618 177.584 0.077 0.000 1.181 357 A CA 1.345 53.424 52.037 0.070 0.000 0.620 357 A CB -0.401 18.623 19.000 0.041 0.000 0.819 357 A HN 0.491 nan 8.150 nan 0.000 0.442 358 Q N -1.787 118.062 119.800 0.081 0.000 2.224 358 Q HA -0.113 4.230 4.340 0.005 0.000 0.203 358 Q C 1.810 177.912 176.000 0.170 0.000 0.970 358 Q CA 1.411 57.270 55.803 0.094 0.000 0.865 358 Q CB -0.285 28.481 28.738 0.047 0.000 0.922 358 Q HN 0.814 nan 8.270 nan 0.000 0.445 359 F N 1.032 121.012 119.950 0.049 0.000 2.128 359 F HA -0.147 4.383 4.527 0.005 0.000 0.295 359 F C 1.702 177.543 175.800 0.069 0.000 1.100 359 F CA 0.980 59.025 58.000 0.075 0.000 1.260 359 F CB 0.079 39.108 39.000 0.047 0.000 1.009 359 F HN -0.065 nan 8.300 nan 0.000 0.476 360 L N 0.322 121.477 121.223 -0.112 0.000 2.083 360 L HA -0.175 4.168 4.340 0.005 0.000 0.209 360 L C 2.819 179.612 176.870 -0.128 0.000 1.083 360 L CA 1.036 55.763 54.840 -0.189 0.000 0.752 360 L CB -1.383 40.658 42.059 -0.029 0.000 0.899 360 L HN 0.265 nan 8.230 nan 0.000 0.433 361 A N 0.679 123.473 122.820 -0.043 0.000 1.898 361 A HA -0.075 4.248 4.320 0.005 0.000 0.216 361 A C 2.450 180.020 177.584 -0.023 0.000 1.181 361 A CA 1.590 53.618 52.037 -0.015 0.000 0.620 361 A CB -1.211 17.803 19.000 0.022 0.000 0.819 361 A HN 0.418 nan 8.150 nan 0.000 0.442 362 G N -0.620 108.174 108.800 -0.011 0.000 2.422 362 G HA2 -0.096 3.867 3.960 0.005 0.000 0.218 362 G HA3 -0.096 3.867 3.960 0.005 0.000 0.218 362 G C 1.455 176.305 174.900 -0.082 0.000 1.146 362 G CA 1.230 46.333 45.100 0.005 0.000 0.769 362 G HN 0.319 nan 8.290 nan 0.000 0.547 363 V N 0.911 120.701 119.914 -0.206 0.000 2.427 363 V HA -0.093 4.031 4.120 0.005 0.000 0.248 363 V C 2.916 178.951 176.094 -0.097 0.000 1.051 363 V CA 1.378 63.555 62.300 -0.206 0.000 1.048 363 V CB -0.350 31.261 31.823 -0.354 0.000 0.666 363 V HN 0.208 nan 8.190 nan 0.000 0.456 364 R N -0.024 120.429 120.500 -0.078 0.000 2.120 364 R HA 0.005 4.348 4.340 0.005 0.000 0.234 364 R C 2.019 178.305 176.300 -0.023 0.000 1.123 364 R CA 1.356 57.433 56.100 -0.038 0.000 0.975 364 R CB -0.738 29.546 30.300 -0.026 0.000 0.866 364 R HN 0.465 nan 8.270 nan 0.000 0.446 365 I N -0.680 119.877 120.570 -0.022 0.000 2.400 365 I HA -0.045 4.128 4.170 0.005 0.000 0.248 365 I C 2.177 178.290 176.117 -0.008 0.000 1.109 365 I CA 1.215 62.511 61.300 -0.007 0.000 1.425 365 I CB -0.464 37.538 38.000 0.004 0.000 1.094 365 I HN 0.184 nan 8.210 nan 0.000 0.425 366 G N 0.453 109.242 108.800 -0.018 0.000 2.511 366 G HA2 -0.025 3.938 3.960 0.005 0.000 0.217 366 G HA3 -0.025 3.938 3.960 0.005 0.000 0.217 366 G C 0.856 175.759 174.900 0.004 0.000 1.133 366 G CA 0.347 45.439 45.100 -0.014 0.000 0.792 366 G HN 0.237 nan 8.290 nan 0.000 0.539 367 V N 2.010 121.914 119.914 -0.016 0.000 2.446 367 V HA 0.209 4.332 4.120 0.005 0.000 0.257 367 V C -1.398 174.697 176.094 0.001 0.000 1.036 367 V CA -1.106 61.175 62.300 -0.032 0.000 1.196 367 V CB 1.357 33.140 31.823 -0.066 0.000 1.446 367 V HN 0.056 nan 8.190 nan 0.000 0.558 368 P HA -0.174 nan 4.420 nan 0.000 0.219 368 P C 1.047 178.353 177.300 0.010 0.000 1.146 368 P CA 1.205 64.311 63.100 0.010 0.000 0.808 368 P CB 0.398 32.105 31.700 0.011 0.000 0.779 369 Q N 0.183 119.996 119.800 0.022 0.000 2.378 369 Q HA 0.168 4.511 4.340 0.005 0.000 0.205 369 Q C 1.185 177.184 176.000 -0.001 0.000 0.954 369 Q CA 0.452 56.262 55.803 0.012 0.000 0.901 369 Q CB -0.926 27.828 28.738 0.027 0.000 0.981 369 Q HN 0.153 nan 8.270 nan 0.000 0.483 370 A N 1.674 124.491 122.820 -0.005 0.000 2.454 370 A HA 0.400 4.723 4.320 0.005 0.000 0.260 370 A C 0.527 178.103 177.584 -0.013 0.000 1.106 370 A CA -0.266 51.762 52.037 -0.015 0.000 0.780 370 A CB 0.040 19.032 19.000 -0.014 0.000 1.044 370 A HN 0.379 nan 8.150 nan 0.000 0.498 371 S N 2.165 117.854 115.700 -0.019 0.000 2.592 371 S HA -0.008 4.465 4.470 0.005 0.000 0.256 371 S C 0.536 175.135 174.600 -0.003 0.000 1.369 371 S CA 0.735 58.927 58.200 -0.013 0.000 0.984 371 S CB 0.196 63.384 63.200 -0.020 0.000 0.919 371 S HN 0.643 nan 8.310 nan 0.000 0.576 372 D N -0.064 120.338 120.400 0.003 0.000 2.117 372 D HA -0.040 4.604 4.640 0.005 0.000 0.197 372 D C 1.725 178.041 176.300 0.026 0.000 0.987 372 D CA 0.960 54.968 54.000 0.014 0.000 0.829 372 D CB -0.329 40.479 40.800 0.015 0.000 0.961 372 D HN 0.407 nan 8.370 nan 0.000 0.460 373 L N 0.619 121.857 121.223 0.024 0.000 2.027 373 L HA -0.006 4.337 4.340 0.005 0.000 0.206 373 L C 2.051 178.956 176.870 0.058 0.000 1.074 373 L CA 1.716 56.581 54.840 0.043 0.000 0.745 373 L CB -0.953 41.127 42.059 0.034 0.000 0.898 373 L HN 0.008 nan 8.230 nan 0.000 0.433 374 A N -0.548 122.285 122.820 0.021 0.000 1.940 374 A HA -0.158 4.165 4.320 0.005 0.000 0.219 374 A C 2.407 180.025 177.584 0.058 0.000 1.176 374 A CA 1.950 53.994 52.037 0.012 0.000 0.631 374 A CB -1.113 17.854 19.000 -0.055 0.000 0.814 374 A HN 0.573 nan 8.150 nan 0.000 0.446 375 A N -0.545 122.301 122.820 0.043 0.000 1.968 375 A HA -0.022 4.301 4.320 0.005 0.000 0.217 375 A C 1.935 179.564 177.584 0.075 0.000 1.169 375 A CA 1.892 53.955 52.037 0.043 0.000 0.638 375 A CB -0.351 18.655 19.000 0.010 0.000 0.812 375 A HN 0.562 nan 8.150 nan 0.000 0.446 376 E N 0.639 120.893 120.200 0.090 0.000 2.047 376 E HA -0.044 4.309 4.350 0.005 0.000 0.191 376 E C 2.002 178.705 176.600 0.172 0.000 0.987 376 E CA 1.629 58.101 56.400 0.121 0.000 0.799 376 E CB -0.532 29.232 29.700 0.106 0.000 0.752 376 E HN 0.414 nan 8.360 nan 0.000 0.449 377 A N 0.403 123.342 122.820 0.199 0.000 1.892 377 A HA -0.221 4.102 4.320 0.005 0.000 0.218 377 A C 2.562 180.303 177.584 0.261 0.000 1.188 377 A CA 2.069 54.275 52.037 0.281 0.000 0.631 377 A CB -1.121 18.150 19.000 0.451 0.000 0.822 377 A HN 0.221 nan 8.150 nan 0.000 0.447 378 V N -0.600 119.502 119.914 0.313 0.000 2.287 378 V HA -0.252 3.871 4.120 0.005 0.000 0.248 378 V C 2.571 178.865 176.094 0.333 0.000 1.053 378 V CA 2.097 64.580 62.300 0.305 0.000 1.027 378 V CB -0.743 31.228 31.823 0.247 0.000 0.646 378 V HN 0.386 nan 8.190 nan 0.000 0.447 379 V N -0.403 119.659 119.914 0.248 0.000 2.427 379 V HA -0.224 3.899 4.120 0.005 0.000 0.248 379 V C 2.238 178.555 176.094 0.372 0.000 1.051 379 V CA 1.788 64.278 62.300 0.316 0.000 1.048 379 V CB -0.418 31.520 31.823 0.191 0.000 0.666 379 V HN 0.445 nan 8.190 nan 0.000 0.456 380 L N -0.693 120.730 121.223 0.333 0.000 2.027 380 L HA -0.203 4.140 4.340 0.005 0.000 0.206 380 L C 2.555 179.627 176.870 0.336 0.000 1.074 380 L CA 2.123 57.224 54.840 0.435 0.000 0.745 380 L CB -0.816 41.416 42.059 0.290 0.000 0.898 380 L HN 0.431 nan 8.230 nan 0.000 0.433 381 H N -0.990 118.074 119.070 -0.009 0.000 2.387 381 H HA -0.200 4.358 4.556 0.004 0.000 0.299 381 H C 1.771 176.966 175.328 -0.221 0.000 1.090 381 H CA 1.890 57.768 56.048 -0.283 0.000 1.332 381 H CB 0.096 29.321 29.762 -0.895 0.000 1.386 381 H HN 0.265 nan 8.280 nan 0.000 0.516 382 Y N -0.461 119.906 120.300 0.112 0.000 2.497 382 Y HA 0.142 4.696 4.550 0.007 0.000 0.265 382 Y C 0.815 176.678 175.900 -0.062 0.000 1.111 382 Y CA 0.252 58.425 58.100 0.122 0.000 1.288 382 Y CB 0.398 39.072 38.460 0.357 0.000 1.082 382 Y HN 0.010 nan 8.280 nan 0.000 0.536 383 T N 1.573 116.097 114.554 -0.050 0.000 2.902 383 T HA -0.064 4.290 4.350 0.005 0.000 0.301 383 T C -0.267 174.057 174.700 -0.627 0.000 1.012 383 T CA -0.131 61.653 62.100 -0.527 0.000 1.151 383 T CB 0.197 68.400 68.868 -1.109 0.000 0.946 383 T HN 0.088 nan 8.240 nan 0.000 0.542 384 D N 2.251 122.330 120.400 -0.535 0.000 2.374 384 D HA 0.090 4.734 4.640 0.005 0.000 0.240 384 D C 0.101 176.150 176.300 -0.418 0.000 1.229 384 D CA -0.640 53.120 54.000 -0.401 0.000 0.895 384 D CB 0.195 40.719 40.800 -0.459 0.000 1.046 384 D HN 0.603 nan 8.370 nan 0.000 0.498 385 W N 3.168 124.398 121.300 -0.117 0.000 2.699 385 W HA 0.069 4.731 4.660 0.003 0.000 0.249 385 W C 1.962 178.401 176.519 -0.134 0.000 1.280 385 W CA -0.271 57.011 57.345 -0.104 0.000 1.345 385 W CB 0.069 29.476 29.460 -0.089 0.000 1.128 385 W HN 0.431 nan 8.180 nan 0.000 0.642 386 L N -0.860 120.349 121.223 -0.023 0.000 2.072 386 L HA -0.123 4.221 4.340 0.005 0.000 0.205 386 L C 0.304 176.890 176.870 -0.474 0.000 1.079 386 L CA 1.334 56.039 54.840 -0.224 0.000 0.752 386 L CB -0.274 41.645 42.059 -0.233 0.000 0.906 386 L HN 0.040 nan 8.230 nan 0.000 0.436 387 H N -1.560 117.388 119.070 -0.203 0.000 2.471 387 H HA 0.164 4.723 4.556 0.005 0.000 0.234 387 H C -1.852 173.325 175.328 -0.252 0.000 1.388 387 H CA -1.490 54.438 56.048 -0.199 0.000 1.198 387 H CB 0.063 29.694 29.762 -0.219 0.000 1.714 387 H HN 0.047 nan 8.280 nan 0.000 0.536 388 P HA -0.142 nan 4.420 nan 0.000 0.231 388 P C 0.414 177.598 177.300 -0.194 0.000 1.158 388 P CA 1.137 64.052 63.100 -0.309 0.000 0.763 388 P CB 0.647 32.163 31.700 -0.307 0.000 0.805 389 E N -0.814 119.331 120.200 -0.091 0.000 2.601 389 E HA 0.047 4.400 4.350 0.005 0.000 0.219 389 E C -0.074 176.507 176.600 -0.031 0.000 0.964 389 E CA -0.141 56.227 56.400 -0.053 0.000 1.050 389 E CB 0.098 29.786 29.700 -0.020 0.000 1.068 389 E HN 0.206 nan 8.360 nan 0.000 0.496 390 D N 2.689 123.088 120.400 -0.001 0.000 2.382 390 D HA 0.009 4.652 4.640 0.005 0.000 0.259 390 D C -1.667 174.626 176.300 -0.011 0.000 1.224 390 D CA -1.665 52.359 54.000 0.041 0.000 0.894 390 D CB 1.321 42.226 40.800 0.175 0.000 1.127 390 D HN -0.177 nan 8.370 nan 0.000 0.487 391 P HA -0.090 nan 4.420 nan 0.000 0.222 391 P C 0.957 178.187 177.300 -0.117 0.000 1.147 391 P CA 0.892 63.935 63.100 -0.095 0.000 0.790 391 P CB 0.316 31.953 31.700 -0.105 0.000 0.780 392 T N -2.082 112.408 114.554 -0.106 0.000 2.894 392 T HA -0.066 4.288 4.350 0.005 0.000 0.258 392 T C 1.590 176.195 174.700 -0.158 0.000 1.043 392 T CA 0.850 62.860 62.100 -0.150 0.000 1.141 392 T CB -0.710 68.048 68.868 -0.184 0.000 0.873 392 T HN 0.242 nan 8.240 nan 0.000 0.449 393 H N 1.043 120.042 119.070 -0.119 0.000 2.353 393 H HA 0.039 4.598 4.556 0.004 0.000 0.300 393 H C 2.318 177.543 175.328 -0.171 0.000 1.090 393 H CA 1.113 57.086 56.048 -0.125 0.000 1.327 393 H CB -0.323 29.348 29.762 -0.151 0.000 1.383 393 H HN 0.282 nan 8.280 nan 0.000 0.508 394 L N 0.307 121.463 121.223 -0.112 0.000 2.017 394 L HA -0.160 4.183 4.340 0.005 0.000 0.208 394 L C 2.939 179.759 176.870 -0.083 0.000 1.073 394 L CA 0.985 55.651 54.840 -0.291 0.000 0.745 394 L CB -0.376 41.528 42.059 -0.259 0.000 0.894 394 L HN 0.139 nan 8.230 nan 0.000 0.432 395 R N 0.581 121.064 120.500 -0.029 0.000 2.096 395 R HA -0.208 4.136 4.340 0.005 0.000 0.240 395 R C 1.696 178.126 176.300 0.216 0.000 1.139 395 R CA 2.363 58.517 56.100 0.090 0.000 0.952 395 R CB -0.451 29.775 30.300 -0.123 0.000 0.854 395 R HN 0.374 nan 8.270 nan 0.000 0.436 396 D N 0.171 120.649 120.400 0.129 0.000 2.183 396 D HA -0.058 4.585 4.640 0.005 0.000 0.203 396 D C 1.745 178.161 176.300 0.194 0.000 0.969 396 D CA 1.256 55.364 54.000 0.179 0.000 0.842 396 D CB -0.262 40.608 40.800 0.118 0.000 0.957 396 D HN 0.365 nan 8.370 nan 0.000 0.484 397 A N 0.875 123.778 122.820 0.140 0.000 1.902 397 A HA -0.169 4.154 4.320 0.005 0.000 0.217 397 A C 2.156 179.903 177.584 0.271 0.000 1.181 397 A CA 1.628 53.780 52.037 0.192 0.000 0.623 397 A CB -0.528 18.447 19.000 -0.041 0.000 0.818 397 A HN 0.153 nan 8.150 nan 0.000 0.443 398 M N 0.050 119.863 119.600 0.356 0.000 2.108 398 M HA -0.118 4.365 4.480 0.005 0.000 0.261 398 M C 2.286 178.692 176.300 0.176 0.000 1.066 398 M CA 2.284 57.819 55.300 0.392 0.000 1.107 398 M CB -0.565 32.338 32.600 0.506 0.000 1.356 398 M HN 0.399 nan 8.290 nan 0.000 0.406 399 S N -0.463 115.356 115.700 0.198 0.000 2.383 399 S HA -0.035 4.438 4.470 0.005 0.000 0.227 399 S C 2.013 176.701 174.600 0.147 0.000 1.026 399 S CA 1.333 59.638 58.200 0.174 0.000 0.981 399 S CB -0.530 62.832 63.200 0.270 0.000 0.818 399 S HN 0.627 nan 8.310 nan 0.000 0.472 400 A N 0.869 123.794 122.820 0.174 0.000 1.898 400 A HA 0.046 4.369 4.320 0.005 0.000 0.216 400 A C 2.326 179.958 177.584 0.081 0.000 1.181 400 A CA 1.592 53.751 52.037 0.203 0.000 0.620 400 A CB -1.045 18.176 19.000 0.369 0.000 0.819 400 A HN 0.440 nan 8.150 nan 0.000 0.442 401 V N -0.249 119.580 119.914 -0.142 0.000 2.252 401 V HA -0.275 3.848 4.120 0.005 0.000 0.249 401 V C 2.594 178.596 176.094 -0.154 0.000 1.056 401 V CA 2.235 64.371 62.300 -0.273 0.000 1.022 401 V CB -0.863 30.815 31.823 -0.242 0.000 0.641 401 V HN 0.384 nan 8.190 nan 0.000 0.445 402 V N 0.674 120.531 119.914 -0.094 0.000 2.295 402 V HA -0.169 3.954 4.120 0.005 0.000 0.246 402 V C 2.638 178.604 176.094 -0.212 0.000 1.049 402 V CA 2.220 64.442 62.300 -0.131 0.000 1.024 402 V CB -1.461 30.335 31.823 -0.045 0.000 0.648 402 V HN 0.614 nan 8.190 nan 0.000 0.447 403 G N -0.308 108.441 108.800 -0.084 0.000 2.421 403 G HA2 -0.257 3.706 3.960 0.005 0.000 0.216 403 G HA3 -0.257 3.706 3.960 0.005 0.000 0.216 403 G C 1.247 176.060 174.900 -0.146 0.000 1.171 403 G CA 1.124 46.186 45.100 -0.064 0.000 0.775 403 G HN 0.503 nan 8.290 nan 0.000 0.543 404 D N -0.438 119.889 120.400 -0.122 0.000 2.117 404 D HA -0.064 4.579 4.640 0.005 0.000 0.198 404 D C 2.109 178.099 176.300 -0.517 0.000 0.982 404 D CA 1.158 55.058 54.000 -0.167 0.000 0.828 404 D CB -0.410 40.450 40.800 0.099 0.000 0.967 404 D HN 0.410 nan 8.370 nan 0.000 0.464 405 H N 0.716 119.207 119.070 -0.964 0.000 2.389 405 H HA 0.055 4.614 4.556 0.005 0.000 0.299 405 H C 1.447 176.375 175.328 -0.666 0.000 1.081 405 H CA 1.491 56.807 56.048 -1.220 0.000 1.345 405 H CB 0.114 29.053 29.762 -1.372 0.000 1.393 405 H HN -0.012 nan 8.280 nan 0.000 0.520 406 N N -0.840 117.408 118.700 -0.753 0.000 2.409 406 N HA 0.011 4.755 4.740 0.005 0.000 0.174 406 N C 1.167 176.425 175.510 -0.420 0.000 1.037 406 N CA 1.053 53.600 53.050 -0.837 0.000 0.898 406 N CB 1.089 38.497 38.487 -1.799 0.000 1.010 406 N HN 0.264 nan 8.380 nan 0.000 0.445 407 V N -0.458 119.267 119.914 -0.316 0.000 3.449 407 V HA 0.062 4.186 4.120 0.005 0.000 0.208 407 V C 2.168 178.215 176.094 -0.079 0.000 1.269 407 V CA 0.154 62.403 62.300 -0.085 0.000 1.301 407 V CB -0.226 31.610 31.823 0.022 0.000 1.306 407 V HN -0.192 nan 8.190 nan 0.000 0.531 408 V N 0.086 119.953 119.914 -0.078 0.000 2.324 408 V HA -0.317 3.806 4.120 0.005 0.000 0.250 408 V C 2.455 178.513 176.094 -0.060 0.000 1.060 408 V CA 2.650 64.919 62.300 -0.052 0.000 1.042 408 V CB -0.748 31.071 31.823 -0.008 0.000 0.650 408 V HN 0.687 nan 8.190 nan 0.000 0.450 409 c N -0.841 117.711 118.600 -0.081 0.000 2.492 409 c HA 0.055 4.629 4.570 0.005 0.000 0.279 409 c C 0.492 174.552 174.090 -0.050 0.000 1.335 409 c CA 0.683 56.997 56.329 -0.026 0.000 1.734 409 c CB -1.516 41.011 42.510 0.028 0.000 2.027 409 c HN 0.464 nan 8.230 nan 0.000 0.496 410 P HA -0.066 nan 4.420 nan 0.000 0.216 410 P C 1.761 179.006 177.300 -0.091 0.000 1.153 410 P CA 1.357 64.391 63.100 -0.111 0.000 0.848 410 P CB -0.135 31.470 31.700 -0.159 0.000 0.787 411 V N 0.142 120.004 119.914 -0.088 0.000 2.343 411 V HA -0.254 3.869 4.120 0.005 0.000 0.247 411 V C 2.457 178.471 176.094 -0.134 0.000 1.051 411 V CA 2.227 64.464 62.300 -0.104 0.000 1.036 411 V CB -1.699 30.063 31.823 -0.102 0.000 0.654 411 V HN 0.092 nan 8.190 nan 0.000 0.451 412 A N -0.095 122.659 122.820 -0.110 0.000 1.865 412 A HA -0.359 3.965 4.320 0.005 0.000 0.217 412 A C 2.229 179.786 177.584 -0.045 0.000 1.191 412 A CA 2.459 54.439 52.037 -0.095 0.000 0.623 412 A CB -0.694 18.296 19.000 -0.016 0.000 0.826 412 A HN 0.616 nan 8.150 nan 0.000 0.444 413 Q N -0.733 119.058 119.800 -0.016 0.000 2.112 413 Q HA -0.195 4.148 4.340 0.005 0.000 0.206 413 Q C 1.862 177.850 176.000 -0.019 0.000 0.987 413 Q CA 2.073 57.879 55.803 0.004 0.000 0.858 413 Q CB -0.442 28.295 28.738 -0.001 0.000 0.905 413 Q HN 0.525 nan 8.270 nan 0.000 0.420 414 L N 0.185 121.370 121.223 -0.063 0.000 2.017 414 L HA -0.030 4.313 4.340 0.005 0.000 0.208 414 L C 2.272 179.088 176.870 -0.090 0.000 1.073 414 L CA 2.230 57.019 54.840 -0.085 0.000 0.745 414 L CB -1.040 40.955 42.059 -0.108 0.000 0.894 414 L HN 0.321 nan 8.230 nan 0.000 0.432 415 A N -0.530 122.208 122.820 -0.136 0.000 1.908 415 A HA -0.092 4.231 4.320 0.005 0.000 0.218 415 A C 2.319 179.933 177.584 0.050 0.000 1.181 415 A CA 1.670 53.600 52.037 -0.178 0.000 0.627 415 A CB -1.664 16.996 19.000 -0.566 0.000 0.818 415 A HN 0.547 nan 8.150 nan 0.000 0.445 416 G N -0.248 108.631 108.800 0.131 0.000 2.545 416 G HA2 -0.269 3.694 3.960 0.005 0.000 0.217 416 G HA3 -0.269 3.694 3.960 0.005 0.000 0.217 416 G C 1.648 176.635 174.900 0.145 0.000 1.218 416 G CA 0.941 46.187 45.100 0.244 0.000 0.787 416 G HN 0.430 nan 8.290 nan 0.000 0.571 417 R N -0.202 120.350 120.500 0.086 0.000 2.091 417 R HA -0.015 4.328 4.340 0.005 0.000 0.238 417 R C 2.543 178.902 176.300 0.099 0.000 1.136 417 R CA 0.664 56.815 56.100 0.086 0.000 0.959 417 R CB -1.185 29.155 30.300 0.066 0.000 0.856 417 R HN 0.329 nan 8.270 nan 0.000 0.437 418 L N 0.533 121.767 121.223 0.019 0.000 2.027 418 L HA -0.030 4.314 4.340 0.005 0.000 0.206 418 L C 2.500 179.425 176.870 0.091 0.000 1.074 418 L CA 1.891 56.711 54.840 -0.033 0.000 0.745 418 L CB -1.235 40.713 42.059 -0.185 0.000 0.898 418 L HN 0.148 nan 8.230 nan 0.000 0.433 419 A N -0.689 122.195 122.820 0.108 0.000 1.902 419 A HA -0.117 4.206 4.320 0.005 0.000 0.217 419 A C 2.312 179.959 177.584 0.105 0.000 1.181 419 A CA 1.553 53.661 52.037 0.119 0.000 0.623 419 A CB -0.894 18.212 19.000 0.176 0.000 0.818 419 A HN 0.367 nan 8.150 nan 0.000 0.443 420 A N -1.381 121.506 122.820 0.111 0.000 2.248 420 A HA -0.002 4.321 4.320 0.005 0.000 0.210 420 A C 1.367 179.014 177.584 0.105 0.000 1.174 420 A CA 1.165 53.257 52.037 0.092 0.000 0.750 420 A CB -0.289 18.764 19.000 0.088 0.000 0.780 420 A HN 0.649 nan 8.150 nan 0.000 0.478 421 Q N -2.186 117.705 119.800 0.153 0.000 2.074 421 Q HA 0.360 4.703 4.340 0.005 0.000 0.265 421 Q C 0.725 176.841 176.000 0.192 0.000 0.855 421 Q CA 0.279 56.185 55.803 0.173 0.000 1.083 421 Q CB 0.909 29.797 28.738 0.250 0.000 1.260 421 Q HN 0.672 nan 8.270 nan 0.000 0.427 422 G N 1.094 109.982 108.800 0.148 0.000 2.697 422 G HA2 -0.218 3.746 3.960 0.005 0.000 0.200 422 G HA3 -0.218 3.746 3.960 0.005 0.000 0.200 422 G C 0.365 175.341 174.900 0.127 0.000 1.106 422 G CA -0.342 44.833 45.100 0.125 0.000 0.748 422 G HN 0.510 nan 8.290 nan 0.000 0.503 423 A N 0.799 123.721 122.820 0.170 0.000 2.520 423 A HA 0.571 4.895 4.320 0.005 0.000 0.235 423 A C 0.672 178.297 177.584 0.067 0.000 1.065 423 A CA 1.099 53.211 52.037 0.124 0.000 0.764 423 A CB 0.112 19.164 19.000 0.087 0.000 1.002 423 A HN 0.884 nan 8.150 nan 0.000 0.502 424 R N 1.831 122.365 120.500 0.056 0.000 2.216 424 R HA 0.466 4.809 4.340 0.005 0.000 0.332 424 R C -1.281 174.995 176.300 -0.040 0.000 1.056 424 R CA -0.131 55.961 56.100 -0.014 0.000 0.901 424 R CB 0.328 30.640 30.300 0.021 0.000 1.039 424 R HN 0.478 nan 8.270 nan 0.000 0.456 425 V N 5.837 125.669 119.914 -0.137 0.000 2.495 425 V HA 0.395 4.518 4.120 0.005 0.000 0.298 425 V C -0.938 175.000 176.094 -0.259 0.000 1.031 425 V CA -0.754 61.493 62.300 -0.088 0.000 0.871 425 V CB 1.440 33.286 31.823 0.037 0.000 0.988 425 V HN 0.651 nan 8.190 nan 0.000 0.432 426 Y N 2.040 122.327 120.300 -0.021 0.000 2.429 426 Y HA 0.800 5.352 4.550 0.003 0.000 0.342 426 Y C 0.305 176.351 175.900 0.244 0.000 1.004 426 Y CA -0.592 57.507 58.100 -0.001 0.000 1.075 426 Y CB 2.273 40.350 38.460 -0.638 0.000 1.214 426 Y HN 0.757 nan 8.280 nan 0.000 0.455 427 A N 2.972 126.263 122.820 0.785 0.000 2.449 427 A HA 0.825 5.149 4.320 0.005 0.000 0.302 427 A C -1.918 176.021 177.584 0.592 0.000 1.048 427 A CA -0.686 51.635 52.037 0.473 0.000 0.708 427 A CB 0.955 20.042 19.000 0.146 0.000 1.274 427 A HN 0.758 nan 8.150 nan 0.000 0.410 428 Y N -0.178 120.310 120.300 0.314 0.000 2.615 428 Y HA 0.815 5.367 4.550 0.003 0.000 0.341 428 Y C -1.094 174.924 175.900 0.196 0.000 1.089 428 Y CA -1.549 56.658 58.100 0.178 0.000 1.049 428 Y CB 1.397 39.908 38.460 0.086 0.000 1.296 428 Y HN 0.714 nan 8.280 nan 0.000 0.470 429 I N 2.903 123.697 120.570 0.374 0.000 2.465 429 I HA 0.463 4.636 4.170 0.005 0.000 0.291 429 I C -1.814 174.615 176.117 0.520 0.000 1.014 429 I CA -1.069 60.426 61.300 0.325 0.000 1.093 429 I CB 1.286 39.414 38.000 0.215 0.000 1.267 429 I HN 0.748 nan 8.210 nan 0.000 0.431 430 F N 7.336 127.558 119.950 0.453 0.000 2.411 430 F HA 0.392 4.923 4.527 0.007 0.000 0.355 430 F C 0.494 176.450 175.800 0.261 0.000 1.117 430 F CA 0.056 58.283 58.000 0.378 0.000 1.139 430 F CB 0.870 40.117 39.000 0.412 0.000 1.120 430 F HN 0.544 nan 8.300 nan 0.000 0.493 431 E N 3.288 123.365 120.200 -0.206 0.000 2.660 431 E HA -0.020 4.333 4.350 0.005 0.000 0.216 431 E C -0.863 175.639 176.600 -0.163 0.000 0.986 431 E CA -0.156 56.202 56.400 -0.070 0.000 1.037 431 E CB 0.259 29.943 29.700 -0.026 0.000 1.041 431 E HN 0.510 nan 8.360 nan 0.000 0.480 432 H N 1.581 120.300 119.070 -0.584 0.000 2.594 432 H HA 0.217 4.776 4.556 0.005 0.000 0.304 432 H C -0.340 175.005 175.328 0.030 0.000 1.068 432 H CA -0.653 55.163 56.048 -0.387 0.000 1.308 432 H CB 0.474 29.806 29.762 -0.717 0.000 1.409 432 H HN -0.125 nan 8.280 nan 0.000 0.460 433 R N 4.258 124.519 120.500 -0.399 0.000 2.316 433 R HA 0.422 4.766 4.340 0.005 0.000 0.314 433 R C -0.565 175.470 176.300 -0.443 0.000 1.069 433 R CA -0.420 55.539 56.100 -0.235 0.000 0.959 433 R CB 0.208 30.446 30.300 -0.104 0.000 0.987 433 R HN 0.760 nan 8.270 nan 0.000 0.446 434 A N 3.618 126.460 122.820 0.037 0.000 2.546 434 A HA 0.018 4.341 4.320 0.005 0.000 0.243 434 A C 1.432 179.079 177.584 0.105 0.000 1.063 434 A CA 0.463 52.680 52.037 0.300 0.000 0.757 434 A CB 0.291 19.605 19.000 0.523 0.000 0.991 434 A HN 1.057 nan 8.150 nan 0.000 0.503 435 S N 1.884 117.677 115.700 0.154 0.000 2.420 435 S HA -0.203 4.271 4.470 0.005 0.000 0.237 435 S C 1.498 176.077 174.600 -0.034 0.000 1.023 435 S CA 1.915 60.153 58.200 0.063 0.000 0.991 435 S CB -0.931 62.333 63.200 0.106 0.000 0.792 435 S HN 1.440 nan 8.310 nan 0.000 0.488 436 T N -0.867 113.621 114.554 -0.111 0.000 3.169 436 T HA 0.315 4.668 4.350 0.005 0.000 0.250 436 T C 0.346 174.963 174.700 -0.139 0.000 1.111 436 T CA -0.520 61.446 62.100 -0.223 0.000 1.010 436 T CB -0.551 67.998 68.868 -0.532 0.000 0.984 436 T HN 0.234 nan 8.240 nan 0.000 0.537 437 L N 3.809 124.994 121.223 -0.062 0.000 2.455 437 L HA 0.311 4.655 4.340 0.005 0.000 0.272 437 L C 1.597 178.415 176.870 -0.087 0.000 1.174 437 L CA 0.600 55.406 54.840 -0.057 0.000 0.869 437 L CB 0.986 43.025 42.059 -0.034 0.000 1.130 437 L HN 0.439 nan 8.230 nan 0.000 0.474 438 T N -0.275 114.184 114.554 -0.158 0.000 3.081 438 T HA 0.078 4.431 4.350 0.005 0.000 0.250 438 T C 0.390 175.042 174.700 -0.080 0.000 1.100 438 T CA -0.367 61.628 62.100 -0.174 0.000 1.038 438 T CB -0.314 68.336 68.868 -0.363 0.000 0.962 438 T HN 0.404 nan 8.240 nan 0.000 0.516 439 W N 2.572 123.850 121.300 -0.038 0.000 2.215 439 W HA 0.473 5.137 4.660 0.006 0.000 0.342 439 W C -2.294 174.117 176.519 -0.180 0.000 1.237 439 W CA -2.457 54.838 57.345 -0.083 0.000 1.283 439 W CB -0.009 29.318 29.460 -0.223 0.000 1.131 439 W HN -0.044 nan 8.180 nan 0.000 0.606 440 P HA -0.023 nan 4.420 nan 0.000 0.269 440 P C 0.587 177.807 177.300 -0.133 0.000 1.217 440 P CA 0.067 63.116 63.100 -0.086 0.000 0.783 440 P CB 0.593 32.194 31.700 -0.165 0.000 0.898 441 L N 0.867 122.080 121.223 -0.017 0.000 2.191 441 L HA -0.121 4.223 4.340 0.005 0.000 0.212 441 L C 2.312 179.209 176.870 0.044 0.000 1.103 441 L CA 1.172 56.020 54.840 0.012 0.000 0.769 441 L CB -0.862 41.231 42.059 0.057 0.000 0.908 441 L HN 0.632 nan 8.230 nan 0.000 0.438 442 W N -0.642 120.693 121.300 0.059 0.000 2.421 442 W HA -0.160 4.503 4.660 0.004 0.000 0.270 442 W C 1.699 178.268 176.519 0.084 0.000 1.233 442 W CA 0.586 57.969 57.345 0.063 0.000 1.226 442 W CB -0.740 28.759 29.460 0.064 0.000 1.121 442 W HN 0.189 nan 8.180 nan 0.000 0.579 443 M N 1.274 120.547 119.600 -0.545 0.000 2.562 443 M HA 0.129 4.612 4.480 0.005 0.000 0.257 443 M C 1.784 177.990 176.300 -0.157 0.000 1.099 443 M CA 1.412 56.383 55.300 -0.550 0.000 1.099 443 M CB -0.673 31.438 32.600 -0.814 0.000 1.427 443 M HN 0.191 nan 8.290 nan 0.000 0.489 444 G N 0.813 109.576 108.800 -0.062 0.000 2.583 444 G HA2 -0.290 3.673 3.960 0.005 0.000 0.292 444 G HA3 -0.290 3.673 3.960 0.005 0.000 0.292 444 G C -0.132 174.781 174.900 0.022 0.000 1.203 444 G CA -0.172 44.939 45.100 0.019 0.000 0.987 444 G HN 0.230 nan 8.290 nan 0.000 0.554 445 V N 3.905 123.876 119.914 0.095 0.000 2.284 445 V HA 0.445 4.568 4.120 0.005 0.000 0.260 445 V C -1.733 174.483 176.094 0.204 0.000 1.084 445 V CA -0.703 61.702 62.300 0.176 0.000 0.894 445 V CB 0.960 32.946 31.823 0.273 0.000 1.119 445 V HN 0.527 nan 8.190 nan 0.000 0.484 446 P HA 0.184 nan 4.420 nan 0.000 0.276 446 P C -0.236 177.280 177.300 0.360 0.000 1.252 446 P CA -0.581 62.631 63.100 0.187 0.000 0.802 446 P CB 0.384 32.074 31.700 -0.015 0.000 1.035 447 H N 0.812 119.984 119.070 0.169 0.000 3.216 447 H HA 0.221 4.780 4.556 0.005 0.000 0.283 447 H C 1.507 176.782 175.328 -0.087 0.000 0.921 447 H CA 2.386 58.468 56.048 0.058 0.000 1.419 447 H CB -0.901 28.867 29.762 0.011 0.000 1.460 447 H HN 0.748 nan 8.280 nan 0.000 0.553 448 G N 3.654 112.236 108.800 -0.363 0.000 2.179 448 G HA2 -0.283 3.680 3.960 0.005 0.000 0.220 448 G HA3 -0.283 3.680 3.960 0.005 0.000 0.220 448 G C 0.368 175.125 174.900 -0.238 0.000 0.990 448 G CA 0.234 45.065 45.100 -0.448 0.000 0.646 448 G HN 0.622 nan 8.290 nan 0.000 0.517 449 Y N 1.371 121.733 120.300 0.103 0.000 2.571 449 Y HA 0.279 4.832 4.550 0.005 0.000 0.275 449 Y C 2.169 178.124 175.900 0.093 0.000 1.179 449 Y CA 0.620 58.837 58.100 0.195 0.000 1.242 449 Y CB 0.479 39.105 38.460 0.276 0.000 1.126 449 Y HN 0.475 nan 8.280 nan 0.000 0.524 450 E N 0.118 120.219 120.200 -0.164 0.000 2.276 450 E HA -0.051 4.302 4.350 0.005 0.000 0.193 450 E C 1.656 178.115 176.600 -0.234 0.000 0.983 450 E CA 0.644 56.623 56.400 -0.702 0.000 0.861 450 E CB -0.395 28.594 29.700 -1.184 0.000 0.817 450 E HN 0.529 nan 8.360 nan 0.000 0.485 451 I N 2.883 123.399 120.570 -0.089 0.000 2.145 451 I HA -0.340 3.834 4.170 0.005 0.000 0.244 451 I C 2.679 178.761 176.117 -0.059 0.000 1.075 451 I CA 2.325 63.620 61.300 -0.008 0.000 1.332 451 I CB -0.622 37.442 38.000 0.106 0.000 1.033 451 I HN 0.244 nan 8.210 nan 0.000 0.410 452 E N 0.931 121.036 120.200 -0.159 0.000 2.209 452 E HA -0.227 4.127 4.350 0.005 0.000 0.196 452 E C 2.004 178.323 176.600 -0.469 0.000 0.993 452 E CA 1.447 57.644 56.400 -0.338 0.000 0.819 452 E CB -0.477 28.994 29.700 -0.382 0.000 0.745 452 E HN 0.458 nan 8.360 nan 0.000 0.477 453 F N 1.455 121.290 119.950 -0.192 0.000 2.219 453 F HA 0.034 4.566 4.527 0.008 0.000 0.294 453 F C 2.385 177.964 175.800 -0.368 0.000 1.086 453 F CA 0.496 58.333 58.000 -0.271 0.000 1.330 453 F CB -0.146 38.755 39.000 -0.164 0.000 1.047 453 F HN -0.062 nan 8.300 nan 0.000 0.495 454 I N -0.853 119.568 120.570 -0.247 0.000 2.208 454 I HA -0.304 3.869 4.170 0.005 0.000 0.245 454 I C 2.079 177.979 176.117 -0.362 0.000 1.097 454 I CA 1.860 62.872 61.300 -0.481 0.000 1.363 454 I CB -1.251 36.370 38.000 -0.631 0.000 1.051 454 I HN 0.097 nan 8.210 nan 0.000 0.413 455 F N 1.049 120.812 119.950 -0.313 0.000 2.748 455 F HA 0.172 4.702 4.527 0.005 0.000 0.299 455 F C 1.849 177.496 175.800 -0.255 0.000 1.154 455 F CA 0.884 58.737 58.000 -0.245 0.000 1.446 455 F CB -0.276 38.565 39.000 -0.266 0.000 1.112 455 F HN 0.299 nan 8.300 nan 0.000 0.584 456 G N 0.032 108.683 108.800 -0.248 0.000 2.149 456 G HA2 -0.290 3.673 3.960 0.005 0.000 0.235 456 G HA3 -0.290 3.673 3.960 0.005 0.000 0.235 456 G C 0.917 175.266 174.900 -0.918 0.000 1.018 456 G CA 0.275 45.115 45.100 -0.434 0.000 0.728 456 G HN 0.287 nan 8.290 nan 0.000 0.508 457 L N 0.300 121.011 121.223 -0.854 0.000 2.079 457 L HA 0.052 4.395 4.340 0.005 0.000 0.210 457 L C 0.359 176.659 176.870 -0.951 0.000 1.081 457 L CA 2.587 56.843 54.840 -0.973 0.000 0.752 457 L CB -0.929 40.776 42.059 -0.589 0.000 0.896 457 L HN 0.192 nan 8.230 nan 0.000 0.433 458 P HA -0.136 nan 4.420 nan 0.000 0.226 458 P C 1.437 178.481 177.300 -0.427 0.000 1.146 458 P CA 0.824 63.305 63.100 -1.031 0.000 0.773 458 P CB 0.069 31.243 31.700 -0.876 0.000 0.772 459 L N -1.235 119.701 121.223 -0.478 0.000 2.478 459 L HA 0.019 4.362 4.340 0.005 0.000 0.223 459 L C 0.869 177.669 176.870 -0.117 0.000 1.140 459 L CA 0.969 55.658 54.840 -0.252 0.000 0.842 459 L CB -1.270 40.659 42.059 -0.217 0.000 0.953 459 L HN -0.032 nan 8.230 nan 0.000 0.452 460 D N 0.022 120.315 120.400 -0.178 0.000 2.336 460 D HA 0.085 4.728 4.640 0.005 0.000 0.249 460 D C -1.626 174.701 176.300 0.044 0.000 1.213 460 D CA -2.056 51.972 54.000 0.047 0.000 0.870 460 D CB 1.594 42.467 40.800 0.122 0.000 1.076 460 D HN -0.045 nan 8.370 nan 0.000 0.483 461 P HA -0.174 nan 4.420 nan 0.000 0.216 461 P C 1.174 178.500 177.300 0.044 0.000 1.153 461 P CA 1.236 64.364 63.100 0.046 0.000 0.858 461 P CB 0.023 31.747 31.700 0.040 0.000 0.789 462 S N -1.689 114.035 115.700 0.040 0.000 2.653 462 S HA -0.010 4.463 4.470 0.005 0.000 0.233 462 S C 1.541 176.151 174.600 0.016 0.000 0.970 462 S CA 0.445 58.659 58.200 0.022 0.000 0.947 462 S CB -1.273 61.938 63.200 0.017 0.000 0.771 462 S HN 0.073 nan 8.310 nan 0.000 0.538 463 L N 0.012 121.263 121.223 0.046 0.000 2.463 463 L HA 0.226 4.569 4.340 0.005 0.000 0.219 463 L C 0.439 177.284 176.870 -0.041 0.000 1.088 463 L CA 0.169 55.038 54.840 0.049 0.000 0.849 463 L CB -0.379 41.805 42.059 0.209 0.000 1.012 463 L HN 0.294 nan 8.230 nan 0.000 0.468 464 N N -2.002 116.700 118.700 0.004 0.000 2.967 464 N HA -0.195 4.548 4.740 0.005 0.000 0.241 464 N C -0.343 175.122 175.510 -0.075 0.000 0.983 464 N CA 0.682 53.701 53.050 -0.052 0.000 0.918 464 N CB -1.707 36.715 38.487 -0.108 0.000 1.109 464 N HN 0.228 nan 8.380 nan 0.000 0.567 465 Y N 1.425 121.720 120.300 -0.008 0.000 2.426 465 Y HA 0.136 4.689 4.550 0.005 0.000 0.344 465 Y C 2.033 177.967 175.900 0.057 0.000 1.256 465 Y CA 0.608 58.731 58.100 0.039 0.000 1.451 465 Y CB 0.378 38.858 38.460 0.033 0.000 1.342 465 Y HN 0.090 nan 8.280 nan 0.000 0.600 466 T N -2.706 112.000 114.554 0.253 0.000 2.828 466 T HA 0.053 4.407 4.350 0.005 0.000 0.290 466 T C 1.097 175.890 174.700 0.155 0.000 1.019 466 T CA -0.367 61.831 62.100 0.163 0.000 1.031 466 T CB 0.953 69.906 68.868 0.142 0.000 1.001 466 T HN 0.715 nan 8.240 nan 0.000 0.531 467 T N 1.415 116.027 114.554 0.097 0.000 2.788 467 T HA -0.069 4.284 4.350 0.005 0.000 0.268 467 T C 1.740 176.484 174.700 0.074 0.000 1.044 467 T CA 1.786 63.931 62.100 0.074 0.000 1.139 467 T CB -0.383 68.514 68.868 0.048 0.000 0.867 467 T HN 0.797 nan 8.240 nan 0.000 0.454 468 E N 1.410 121.648 120.200 0.065 0.000 2.106 468 E HA -0.086 4.267 4.350 0.005 0.000 0.192 468 E C 2.124 178.774 176.600 0.084 0.000 0.984 468 E CA 0.920 57.342 56.400 0.037 0.000 0.806 468 E CB -0.224 29.465 29.700 -0.020 0.000 0.750 468 E HN 0.545 nan 8.360 nan 0.000 0.458 469 E N 0.498 120.796 120.200 0.164 0.000 2.077 469 E HA -0.122 4.231 4.350 0.005 0.000 0.193 469 E C 2.113 178.884 176.600 0.285 0.000 0.989 469 E CA 0.509 57.112 56.400 0.339 0.000 0.800 469 E CB -0.005 30.034 29.700 0.565 0.000 0.746 469 E HN 0.038 nan 8.360 nan 0.000 0.452 470 R N 0.606 121.201 120.500 0.158 0.000 2.117 470 R HA -0.168 4.176 4.340 0.005 0.000 0.243 470 R C 2.070 178.398 176.300 0.048 0.000 1.143 470 R CA 1.179 57.311 56.100 0.053 0.000 0.968 470 R CB -0.227 30.097 30.300 0.040 0.000 0.863 470 R HN 0.237 nan 8.270 nan 0.000 0.444 471 I N -0.523 120.096 120.570 0.082 0.000 2.480 471 I HA -0.198 3.975 4.170 0.005 0.000 0.251 471 I C 2.049 178.229 176.117 0.105 0.000 1.124 471 I CA 0.329 61.668 61.300 0.064 0.000 1.444 471 I CB -0.288 37.744 38.000 0.053 0.000 1.098 471 I HN 0.035 nan 8.210 nan 0.000 0.428 472 F N 2.152 122.079 119.950 -0.038 0.000 2.126 472 F HA -0.281 4.249 4.527 0.004 0.000 0.299 472 F C 2.412 178.213 175.800 0.002 0.000 1.096 472 F CA 1.393 59.358 58.000 -0.059 0.000 1.255 472 F CB -0.685 38.218 39.000 -0.162 0.000 0.997 472 F HN 0.046 nan 8.300 nan 0.000 0.479 473 A N -0.189 122.599 122.820 -0.054 0.000 1.933 473 A HA -0.244 4.079 4.320 0.005 0.000 0.218 473 A C 2.147 179.624 177.584 -0.180 0.000 1.175 473 A CA 1.849 53.796 52.037 -0.151 0.000 0.628 473 A CB -0.855 18.093 19.000 -0.086 0.000 0.814 473 A HN 0.596 nan 8.150 nan 0.000 0.444 474 Q N -0.896 118.838 119.800 -0.109 0.000 2.119 474 Q HA -0.107 4.236 4.340 0.005 0.000 0.201 474 Q C 2.362 178.279 176.000 -0.139 0.000 0.972 474 Q CA 1.363 57.105 55.803 -0.102 0.000 0.847 474 Q CB -0.134 28.569 28.738 -0.058 0.000 0.903 474 Q HN 0.613 nan 8.270 nan 0.000 0.433 475 R N 0.173 120.589 120.500 -0.141 0.000 2.083 475 R HA -0.134 4.210 4.340 0.005 0.000 0.237 475 R C 2.275 178.387 176.300 -0.313 0.000 1.137 475 R CA 1.255 57.210 56.100 -0.241 0.000 0.951 475 R CB -0.325 29.936 30.300 -0.065 0.000 0.851 475 R HN 0.256 nan 8.270 nan 0.000 0.434 476 L N 0.115 121.229 121.223 -0.182 0.000 1.994 476 L HA -0.219 4.124 4.340 0.005 0.000 0.208 476 L C 2.575 179.428 176.870 -0.029 0.000 1.071 476 L CA 1.557 56.361 54.840 -0.060 0.000 0.745 476 L CB -0.474 41.348 42.059 -0.395 0.000 0.892 476 L HN 0.285 nan 8.230 nan 0.000 0.431 477 M N -0.711 118.800 119.600 -0.147 0.000 2.195 477 M HA -0.224 4.259 4.480 0.005 0.000 0.260 477 M C 2.283 178.580 176.300 -0.006 0.000 1.066 477 M CA 1.553 56.795 55.300 -0.097 0.000 1.089 477 M CB -0.373 32.155 32.600 -0.121 0.000 1.377 477 M HN 0.121 nan 8.290 nan 0.000 0.411 478 K N -0.090 120.269 120.400 -0.068 0.000 2.001 478 K HA -0.114 4.209 4.320 0.005 0.000 0.208 478 K C 1.869 178.480 176.600 0.018 0.000 1.048 478 K CA 1.687 57.923 56.287 -0.086 0.000 0.932 478 K CB -0.469 31.905 32.500 -0.211 0.000 0.715 478 K HN 0.330 nan 8.250 nan 0.000 0.437 479 Y N -0.257 120.167 120.300 0.208 0.000 2.128 479 Y HA -0.235 4.320 4.550 0.008 0.000 0.284 479 Y C 2.471 178.501 175.900 0.216 0.000 1.154 479 Y CA 1.021 59.274 58.100 0.254 0.000 1.149 479 Y CB -0.710 38.042 38.460 0.487 0.000 0.976 479 Y HN 0.234 nan 8.280 nan 0.000 0.505 480 W N 0.653 122.030 121.300 0.129 0.000 2.355 480 W HA -0.236 4.426 4.660 0.004 0.000 0.309 480 W C 2.567 179.085 176.519 -0.002 0.000 1.206 480 W CA 2.314 59.671 57.345 0.021 0.000 1.284 480 W CB -0.670 28.737 29.460 -0.089 0.000 1.145 480 W HN 0.238 nan 8.180 nan 0.000 0.502 481 T N -1.870 112.785 114.554 0.167 0.000 2.867 481 T HA -0.165 4.189 4.350 0.005 0.000 0.268 481 T C 1.444 176.165 174.700 0.035 0.000 1.057 481 T CA 1.274 63.405 62.100 0.051 0.000 1.136 481 T CB -0.650 68.226 68.868 0.014 0.000 0.874 481 T HN -0.068 nan 8.240 nan 0.000 0.466 482 N N 0.941 119.675 118.700 0.057 0.000 2.120 482 N HA -0.022 4.721 4.740 0.005 0.000 0.188 482 N C 1.377 176.883 175.510 -0.007 0.000 1.024 482 N CA 1.089 54.153 53.050 0.023 0.000 0.852 482 N CB -0.644 37.868 38.487 0.042 0.000 1.003 482 N HN 0.524 nan 8.380 nan 0.000 0.424 483 F N 1.483 121.345 119.950 -0.146 0.000 2.186 483 F HA -0.011 4.520 4.527 0.006 0.000 0.299 483 F C 2.125 177.845 175.800 -0.133 0.000 1.090 483 F CA 1.106 58.976 58.000 -0.216 0.000 1.307 483 F CB -0.267 38.517 39.000 -0.360 0.000 1.019 483 F HN 0.016 nan 8.300 nan 0.000 0.489 484 A N 0.805 123.564 122.820 -0.101 0.000 1.877 484 A HA -0.164 4.159 4.320 0.005 0.000 0.216 484 A C 2.359 179.837 177.584 -0.176 0.000 1.186 484 A CA 1.675 53.626 52.037 -0.144 0.000 0.620 484 A CB -0.723 18.249 19.000 -0.045 0.000 0.822 484 A HN 0.429 nan 8.150 nan 0.000 0.443 485 R N -1.117 119.311 120.500 -0.120 0.000 2.081 485 R HA -0.093 4.251 4.340 0.005 0.000 0.235 485 R C 2.086 178.303 176.300 -0.137 0.000 1.131 485 R CA 1.927 57.967 56.100 -0.101 0.000 0.960 485 R CB -0.253 30.011 30.300 -0.059 0.000 0.856 485 R HN 0.746 nan 8.270 nan 0.000 0.436 486 T N -5.725 108.721 114.554 -0.179 0.000 2.969 486 T HA 0.233 4.587 4.350 0.005 0.000 0.258 486 T C 1.148 175.716 174.700 -0.219 0.000 0.962 486 T CA 0.437 62.443 62.100 -0.157 0.000 0.903 486 T CB 1.325 70.137 68.868 -0.094 0.000 1.177 486 T HN 0.325 nan 8.240 nan 0.000 0.511 487 G N 1.366 109.905 108.800 -0.434 0.000 2.136 487 G HA2 -0.127 3.837 3.960 0.005 0.000 0.242 487 G HA3 -0.127 3.837 3.960 0.005 0.000 0.242 487 G C -0.394 174.412 174.900 -0.156 0.000 0.989 487 G CA 0.166 44.933 45.100 -0.556 0.000 0.682 487 G HN 0.865 nan 8.290 nan 0.000 0.522 488 D N -0.875 119.437 120.400 -0.146 0.000 2.763 488 D HA 0.420 5.063 4.640 0.005 0.000 0.235 488 D C -1.301 174.865 176.300 -0.225 0.000 1.334 488 D CA -1.436 52.454 54.000 -0.183 0.000 0.950 488 D CB 1.963 42.730 40.800 -0.056 0.000 1.433 488 D HN -0.023 nan 8.370 nan 0.000 0.580 489 P HA -0.073 nan 4.420 nan 0.000 0.223 489 P C 0.031 177.373 177.300 0.070 0.000 1.151 489 P CA 0.249 63.210 63.100 -0.232 0.000 0.787 489 P CB 0.319 31.591 31.700 -0.714 0.000 0.788 490 N N 1.930 120.626 118.700 -0.006 0.000 2.492 490 N HA -0.007 4.737 4.740 0.005 0.000 0.262 490 N C 0.204 175.769 175.510 0.091 0.000 1.202 490 N CA 0.443 53.573 53.050 0.134 0.000 0.926 490 N CB 0.388 38.942 38.487 0.112 0.000 1.078 490 N HN 0.070 nan 8.380 nan 0.000 0.454 491 D N 2.352 122.814 120.400 0.103 0.000 2.401 491 D HA 0.059 4.702 4.640 0.005 0.000 0.254 491 D C -1.430 174.900 176.300 0.050 0.000 1.192 491 D CA -1.388 52.644 54.000 0.052 0.000 0.885 491 D CB 1.241 42.062 40.800 0.035 0.000 1.147 491 D HN 0.271 nan 8.370 nan 0.000 0.478 492 P HA -0.108 nan 4.420 nan 0.000 0.218 492 P C 1.332 178.650 177.300 0.030 0.000 1.149 492 P CA 1.356 64.474 63.100 0.031 0.000 0.817 492 P CB 0.281 31.991 31.700 0.018 0.000 0.785 493 R N 0.422 120.937 120.500 0.026 0.000 2.055 493 R HA -0.054 4.289 4.340 0.005 0.000 0.228 493 R C 1.350 177.669 176.300 0.031 0.000 1.143 493 R CA 1.474 57.588 56.100 0.024 0.000 0.945 493 R CB -1.983 28.327 30.300 0.017 0.000 0.841 493 R HN 0.140 nan 8.270 nan 0.000 0.429 494 D N 0.845 121.266 120.400 0.035 0.000 2.346 494 D HA 0.046 4.689 4.640 0.005 0.000 0.267 494 D C 0.264 176.599 176.300 0.060 0.000 1.320 494 D CA 0.787 54.813 54.000 0.043 0.000 0.951 494 D CB 0.838 41.664 40.800 0.043 0.000 1.079 494 D HN 0.469 nan 8.370 nan 0.000 0.509 495 S N 1.720 117.452 115.700 0.053 0.000 2.526 495 S HA 0.065 4.539 4.470 0.005 0.000 0.220 495 S C 1.936 176.571 174.600 0.057 0.000 1.017 495 S CA 0.101 58.338 58.200 0.060 0.000 0.930 495 S CB 0.372 63.603 63.200 0.051 0.000 0.856 495 S HN 0.406 nan 8.310 nan 0.000 0.497 496 K N 2.316 122.746 120.400 0.049 0.000 2.002 496 K HA 0.190 4.513 4.320 0.005 0.000 0.209 496 K C 1.256 177.889 176.600 0.055 0.000 1.048 496 K CA 1.544 57.858 56.287 0.045 0.000 0.930 496 K CB -1.369 31.152 32.500 0.036 0.000 0.714 496 K HN 0.433 nan 8.250 nan 0.000 0.438 497 S N 1.856 117.595 115.700 0.065 0.000 2.558 497 S HA 0.212 4.685 4.470 0.005 0.000 0.288 497 S C -2.227 172.435 174.600 0.103 0.000 1.318 497 S CA -0.822 57.430 58.200 0.086 0.000 1.056 497 S CB 0.890 64.153 63.200 0.104 0.000 0.853 497 S HN 0.500 nan 8.310 nan 0.000 0.505 498 P HA 0.057 nan 4.420 nan 0.000 0.269 498 P C -0.705 176.685 177.300 0.151 0.000 1.209 498 P CA -0.316 62.846 63.100 0.103 0.000 0.776 498 P CB 0.458 32.204 31.700 0.078 0.000 0.876 499 Q N 0.909 120.800 119.800 0.152 0.000 2.260 499 Q HA 0.196 4.539 4.340 0.005 0.000 0.242 499 Q C -0.578 175.589 176.000 0.279 0.000 0.932 499 Q CA 0.038 55.966 55.803 0.209 0.000 0.891 499 Q CB 0.998 29.842 28.738 0.177 0.000 1.222 499 Q HN 0.578 nan 8.270 nan 0.000 0.453 500 W N 5.820 127.188 121.300 0.114 0.000 2.283 500 W HA 0.370 5.033 4.660 0.005 0.000 0.317 500 W C -2.549 174.121 176.519 0.252 0.000 1.042 500 W CA -2.668 54.755 57.345 0.129 0.000 1.348 500 W CB 0.574 30.055 29.460 0.035 0.000 1.216 500 W HN 0.362 nan 8.180 nan 0.000 0.404 501 P HA 0.289 nan 4.420 nan 0.000 0.282 501 P C -2.538 175.008 177.300 0.411 0.000 1.249 501 P CA -1.609 61.739 63.100 0.414 0.000 0.806 501 P CB 0.898 32.748 31.700 0.249 0.000 0.984 502 P HA 0.001 nan 4.420 nan 0.000 0.270 502 P C -0.717 176.611 177.300 0.047 0.000 1.221 502 P CA 0.349 63.283 63.100 -0.278 0.000 0.788 502 P CB 0.095 31.612 31.700 -0.305 0.000 0.904 503 Y N 1.205 121.466 120.300 -0.064 0.000 2.323 503 Y HA 0.510 5.065 4.550 0.008 0.000 0.331 503 Y C -0.088 175.817 175.900 0.009 0.000 1.092 503 Y CA 0.079 58.209 58.100 0.049 0.000 1.150 503 Y CB 0.840 39.360 38.460 0.100 0.000 1.200 503 Y HN 0.399 nan 8.280 nan 0.000 0.472 504 T N 0.230 114.468 114.554 -0.526 0.000 2.903 504 T HA 0.212 4.565 4.350 0.005 0.000 0.299 504 T C 0.817 175.239 174.700 -0.464 0.000 1.093 504 T CA -0.208 61.697 62.100 -0.324 0.000 1.002 504 T CB 1.176 69.946 68.868 -0.164 0.000 1.127 504 T HN 0.738 nan 8.240 nan 0.000 0.488 505 T N 0.029 114.465 114.554 -0.196 0.000 2.759 505 T HA -0.126 4.228 4.350 0.005 0.000 0.269 505 T C 2.240 176.872 174.700 -0.114 0.000 1.042 505 T CA 1.411 63.441 62.100 -0.116 0.000 1.140 505 T CB -0.946 67.915 68.868 -0.011 0.000 0.864 505 T HN 0.926 nan 8.240 nan 0.000 0.455 506 A N 2.043 124.804 122.820 -0.098 0.000 1.835 506 A HA 0.355 4.678 4.320 0.005 0.000 0.215 506 A C 2.778 180.316 177.584 -0.077 0.000 1.199 506 A CA 2.200 54.198 52.037 -0.064 0.000 0.615 506 A CB -1.384 17.589 19.000 -0.045 0.000 0.838 506 A HN 0.881 nan 8.150 nan 0.000 0.444 507 A N -2.324 120.428 122.820 -0.113 0.000 2.115 507 A HA 0.271 4.594 4.320 0.005 0.000 0.211 507 A C 0.914 178.428 177.584 -0.118 0.000 1.169 507 A CA 0.871 52.857 52.037 -0.085 0.000 0.787 507 A CB -0.264 18.703 19.000 -0.055 0.000 0.858 507 A HN 0.615 nan 8.150 nan 0.000 0.474 508 Q N -0.100 119.505 119.800 -0.325 0.000 2.451 508 Q HA -0.220 4.123 4.340 0.005 0.000 0.305 508 Q C -0.641 175.384 176.000 0.042 0.000 1.345 508 Q CA 0.727 56.255 55.803 -0.460 0.000 0.854 508 Q CB -1.866 26.835 28.738 -0.062 0.000 1.162 508 Q HN 0.819 nan 8.270 nan 0.000 0.440 509 Q N 0.389 120.218 119.800 0.048 0.000 2.259 509 Q HA 0.574 4.918 4.340 0.005 0.000 0.249 509 Q C -0.481 175.813 176.000 0.489 0.000 0.914 509 Q CA -0.313 55.616 55.803 0.210 0.000 0.904 509 Q CB 0.839 29.638 28.738 0.102 0.000 1.213 509 Q HN 0.360 nan 8.270 nan 0.000 0.428 510 Y N -2.104 118.342 120.300 0.243 0.000 2.609 510 Y HA 0.653 5.216 4.550 0.021 0.000 0.336 510 Y C -1.044 174.861 175.900 0.008 0.000 1.129 510 Y CA -1.491 56.731 58.100 0.203 0.000 1.040 510 Y CB 0.406 38.975 38.460 0.183 0.000 1.310 510 Y HN 0.350 nan 8.280 nan 0.000 0.460 511 V N 0.023 119.850 119.914 -0.145 0.000 2.834 511 V HA 0.845 4.969 4.120 0.005 0.000 0.313 511 V C 0.078 176.103 176.094 -0.116 0.000 1.060 511 V CA -0.414 61.670 62.300 -0.359 0.000 0.989 511 V CB 1.179 32.517 31.823 -0.809 0.000 1.041 511 V HN 1.142 nan 8.190 nan 0.000 0.459 512 S N 3.020 118.648 115.700 -0.119 0.000 2.541 512 S HA 0.730 5.203 4.470 0.005 0.000 0.283 512 S C -0.585 173.981 174.600 -0.057 0.000 1.196 512 S CA -0.739 57.459 58.200 -0.003 0.000 1.062 512 S CB 0.885 64.078 63.200 -0.013 0.000 1.009 512 S HN 0.742 nan 8.310 nan 0.000 0.502 513 L N 3.752 124.979 121.223 0.007 0.000 2.324 513 L HA 0.506 4.849 4.340 0.005 0.000 0.274 513 L C -0.534 176.219 176.870 -0.195 0.000 1.012 513 L CA -0.500 54.347 54.840 0.012 0.000 0.859 513 L CB 0.192 42.347 42.059 0.160 0.000 1.224 513 L HN 0.900 nan 8.230 nan 0.000 0.429 514 N N 2.010 120.515 118.700 -0.325 0.000 3.387 514 N HA 0.430 5.173 4.740 0.005 0.000 0.322 514 N C 0.373 175.304 175.510 -0.966 0.000 1.588 514 N CA -0.994 51.627 53.050 -0.715 0.000 0.778 514 N CB 0.724 38.975 38.487 -0.394 0.000 1.883 514 N HN 0.149 nan 8.380 nan 0.000 0.628 515 L N -1.134 119.541 121.223 -0.914 0.000 2.201 515 L HA 0.056 4.400 4.340 0.005 0.000 0.212 515 L C 0.456 177.118 176.870 -0.347 0.000 1.105 515 L CA 1.060 55.465 54.840 -0.724 0.000 0.775 515 L CB -0.506 41.202 42.059 -0.585 0.000 0.913 515 L HN 0.420 nan 8.230 nan 0.000 0.440 516 K N -0.075 120.168 120.400 -0.261 0.000 2.180 516 K HA 0.162 4.485 4.320 0.005 0.000 0.251 516 K C -2.151 174.397 176.600 -0.087 0.000 1.014 516 K CA -1.411 54.793 56.287 -0.138 0.000 0.913 516 K CB -0.164 32.271 32.500 -0.108 0.000 1.008 516 K HN -0.211 nan 8.250 nan 0.000 0.490 517 P HA -0.051 nan 4.420 nan 0.000 0.268 517 P C -0.396 176.907 177.300 0.004 0.000 1.208 517 P CA -0.081 63.028 63.100 0.015 0.000 0.777 517 P CB 0.394 32.105 31.700 0.018 0.000 0.875 518 L N 1.840 123.086 121.223 0.039 0.000 2.678 518 L HA -0.108 4.235 4.340 0.005 0.000 0.285 518 L C 1.059 177.901 176.870 -0.048 0.000 1.233 518 L CA 1.120 55.946 54.840 -0.024 0.000 0.920 518 L CB -0.250 41.809 42.059 -0.000 0.000 1.176 518 L HN 0.513 nan 8.230 nan 0.000 0.495 519 E N 3.604 123.748 120.200 -0.094 0.000 2.218 519 E HA 0.321 4.674 4.350 0.005 0.000 0.263 519 E C -1.336 175.175 176.600 -0.149 0.000 0.879 519 E CA -0.739 55.606 56.400 -0.092 0.000 0.762 519 E CB 1.980 31.633 29.700 -0.078 0.000 1.166 519 E HN 0.302 nan 8.360 nan 0.000 0.415 520 V N 5.424 125.260 119.914 -0.131 0.000 2.488 520 V HA 0.312 4.436 4.120 0.005 0.000 0.277 520 V C 0.383 176.329 176.094 -0.246 0.000 1.046 520 V CA 0.032 62.224 62.300 -0.180 0.000 0.986 520 V CB 0.848 32.623 31.823 -0.079 0.000 0.989 520 V HN 0.670 nan 8.190 nan 0.000 0.475 521 R N 4.432 124.634 120.500 -0.496 0.000 2.902 521 R HA 0.749 5.093 4.340 0.005 0.000 0.258 521 R C -0.720 175.303 176.300 -0.462 0.000 1.071 521 R CA -1.035 54.752 56.100 -0.523 0.000 1.024 521 R CB 2.032 31.918 30.300 -0.690 0.000 1.184 521 R HN 0.543 nan 8.270 nan 0.000 0.492 522 R N -0.029 120.393 120.500 -0.130 0.000 2.561 522 R HA 0.432 4.776 4.340 0.005 0.000 0.297 522 R C -0.851 175.608 176.300 0.265 0.000 0.969 522 R CA -0.482 55.664 56.100 0.077 0.000 0.879 522 R CB 2.225 32.549 30.300 0.041 0.000 1.178 522 R HN 0.916 nan 8.270 nan 0.000 0.445 523 G N 2.451 111.470 108.800 0.364 0.000 3.450 523 G HA2 -0.209 3.754 3.960 0.005 0.000 0.668 523 G HA3 -0.209 3.754 3.960 0.005 0.000 0.668 523 G C -1.078 174.046 174.900 0.374 0.000 0.941 523 G CA -0.919 44.377 45.100 0.327 0.000 0.766 523 G HN 0.334 nan 8.290 nan 0.000 0.451 524 L N 4.403 125.763 121.223 0.229 0.000 2.302 524 L HA 0.490 4.833 4.340 0.005 0.000 0.285 524 L C 1.610 178.504 176.870 0.040 0.000 1.090 524 L CA -0.394 54.415 54.840 -0.051 0.000 0.866 524 L CB -0.121 41.830 42.059 -0.180 0.000 1.244 524 L HN 0.723 nan 8.230 nan 0.000 0.435 525 R N 2.713 123.261 120.500 0.080 0.000 3.301 525 R HA -0.281 4.063 4.340 0.005 0.000 0.249 525 R C 1.363 177.758 176.300 0.157 0.000 0.964 525 R CA 0.687 56.867 56.100 0.133 0.000 0.653 525 R CB -1.903 28.481 30.300 0.141 0.000 1.043 525 R HN 0.751 nan 8.270 nan 0.000 0.454 526 A N 0.700 123.613 122.820 0.155 0.000 1.859 526 A HA -0.264 4.059 4.320 0.005 0.000 0.217 526 A C 2.064 179.741 177.584 0.155 0.000 1.198 526 A CA 1.384 53.512 52.037 0.152 0.000 0.629 526 A CB -0.160 18.925 19.000 0.141 0.000 0.830 526 A HN 0.427 nan 8.150 nan 0.000 0.446 527 Q N -0.772 119.115 119.800 0.146 0.000 2.030 527 Q HA -0.141 4.202 4.340 0.005 0.000 0.204 527 Q C 2.310 178.429 176.000 0.198 0.000 0.986 527 Q CA 2.172 58.063 55.803 0.148 0.000 0.843 527 Q CB -1.264 27.545 28.738 0.118 0.000 0.904 527 Q HN 0.661 nan 8.270 nan 0.000 0.420 528 T N 0.631 115.327 114.554 0.236 0.000 2.720 528 T HA -0.145 4.208 4.350 0.005 0.000 0.268 528 T C 1.991 176.905 174.700 0.356 0.000 1.037 528 T CA 1.241 63.513 62.100 0.286 0.000 1.144 528 T CB -0.293 68.790 68.868 0.358 0.000 0.864 528 T HN 0.335 nan 8.240 nan 0.000 0.444 529 c N 1.407 120.198 118.600 0.318 0.000 2.432 529 c HA 0.215 4.788 4.570 0.005 0.000 0.282 529 c C 3.069 177.315 174.090 0.259 0.000 1.388 529 c CA 0.032 56.554 56.329 0.322 0.000 1.777 529 c CB -1.412 41.228 42.510 0.217 0.000 1.882 529 c HN 0.644 nan 8.230 nan 0.000 0.520 530 A N 0.121 123.067 122.820 0.211 0.000 1.933 530 A HA -0.170 4.154 4.320 0.005 0.000 0.218 530 A C 1.850 179.543 177.584 0.182 0.000 1.175 530 A CA 1.499 53.639 52.037 0.171 0.000 0.628 530 A CB -0.763 18.323 19.000 0.144 0.000 0.814 530 A HN 0.525 nan 8.150 nan 0.000 0.444 531 F N -0.624 119.315 119.950 -0.018 0.000 2.046 531 F HA -0.202 4.328 4.527 0.004 0.000 0.297 531 F C 1.986 177.728 175.800 -0.096 0.000 1.123 531 F CA 1.825 59.728 58.000 -0.162 0.000 1.199 531 F CB -0.727 37.897 39.000 -0.626 0.000 0.972 531 F HN 0.387 nan 8.300 nan 0.000 0.474 532 W N 0.538 121.797 121.300 -0.069 0.000 2.381 532 W HA -0.142 4.520 4.660 0.003 0.000 0.301 532 W C 2.206 178.663 176.519 -0.103 0.000 1.205 532 W CA 1.114 58.365 57.345 -0.157 0.000 1.285 532 W CB -0.587 28.910 29.460 0.062 0.000 1.133 532 W HN -0.025 nan 8.180 nan 0.000 0.521 533 N N -0.587 118.234 118.700 0.201 0.000 2.392 533 N HA 0.054 4.797 4.740 0.005 0.000 0.177 533 N C 1.442 176.992 175.510 0.066 0.000 1.066 533 N CA 0.784 53.906 53.050 0.120 0.000 0.895 533 N CB -0.048 38.511 38.487 0.120 0.000 0.988 533 N HN 0.240 nan 8.380 nan 0.000 0.457 534 R N -1.422 119.120 120.500 0.069 0.000 2.215 534 R HA 0.232 4.575 4.340 0.005 0.000 0.190 534 R C 1.372 177.714 176.300 0.071 0.000 0.968 534 R CA -0.034 56.109 56.100 0.072 0.000 1.122 534 R CB -0.069 30.294 30.300 0.106 0.000 1.151 534 R HN 0.026 nan 8.270 nan 0.000 0.582 535 F N 1.342 121.232 119.950 -0.100 0.000 2.123 535 F HA 0.059 4.589 4.527 0.006 0.000 0.289 535 F C 1.857 177.533 175.800 -0.207 0.000 1.099 535 F CA 0.960 58.884 58.000 -0.127 0.000 1.234 535 F CB -0.337 38.606 39.000 -0.095 0.000 1.034 535 F HN -0.153 nan 8.300 nan 0.000 0.479 536 L N 1.009 121.903 121.223 -0.549 0.000 2.021 536 L HA -0.208 4.136 4.340 0.005 0.000 0.215 536 L C -0.341 176.287 176.870 -0.403 0.000 1.074 536 L CA 2.551 57.018 54.840 -0.622 0.000 0.760 536 L CB -2.353 39.369 42.059 -0.561 0.000 0.889 536 L HN 0.139 nan 8.230 nan 0.000 0.433 537 P HA -0.181 nan 4.420 nan 0.000 0.215 537 P C 1.440 178.628 177.300 -0.188 0.000 1.153 537 P CA 1.521 64.529 63.100 -0.154 0.000 0.853 537 P CB -0.031 31.618 31.700 -0.085 0.000 0.788 538 K N -1.166 119.091 120.400 -0.237 0.000 2.148 538 K HA -0.094 4.229 4.320 0.005 0.000 0.204 538 K C 1.949 178.371 176.600 -0.296 0.000 1.050 538 K CA 0.783 56.940 56.287 -0.218 0.000 0.942 538 K CB -0.771 31.628 32.500 -0.167 0.000 0.724 538 K HN 0.069 nan 8.250 nan 0.000 0.446 539 L N 2.029 122.947 121.223 -0.510 0.000 1.976 539 L HA -0.118 4.225 4.340 0.005 0.000 0.209 539 L C 1.788 178.507 176.870 -0.252 0.000 1.071 539 L CA 1.642 56.194 54.840 -0.481 0.000 0.746 539 L CB -0.659 40.972 42.059 -0.713 0.000 0.890 539 L HN 0.181 nan 8.230 nan 0.000 0.432 540 L N -2.169 118.922 121.223 -0.221 0.000 2.610 540 L HA 0.149 4.492 4.340 0.005 0.000 0.232 540 L C 0.693 177.505 176.870 -0.097 0.000 1.149 540 L CA 0.402 55.164 54.840 -0.131 0.000 0.872 540 L CB -1.077 40.918 42.059 -0.107 0.000 0.992 540 L HN 0.191 nan 8.230 nan 0.000 0.447 541 S N 1.738 117.373 115.700 -0.107 0.000 4.069 541 S HA 0.653 5.126 4.470 0.005 0.000 0.192 541 S C 0.433 174.993 174.600 -0.067 0.000 1.441 541 S CA 0.233 58.387 58.200 -0.076 0.000 0.994 541 S CB -0.419 62.738 63.200 -0.073 0.000 1.456 541 S HN 0.729 nan 8.310 nan 0.000 0.458 542 A N 0.000 122.784 122.820 -0.060 0.000 2.254 542 A HA 0.000 4.323 4.320 0.005 0.000 0.244 542 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 542 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486