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 2wu3_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SATATE 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 0.000 176.611 176.600 0.019 0.000 1.382 1 E CA 0.000 56.415 56.400 0.025 0.000 0.976 1 E CB 0.000 29.718 29.700 0.030 0.000 0.812 2 G N 0.297 109.107 108.800 0.018 0.000 3.876 2 G HA2 -0.142 3.818 3.960 0.000 0.000 0.203 2 G HA3 -0.142 3.818 3.960 0.000 0.000 0.203 2 G C 0.910 175.818 174.900 0.013 0.000 1.162 2 G CA 0.148 45.256 45.100 0.014 0.000 0.903 2 G HN 0.302 nan 8.290 nan 0.000 0.390 3 R N 0.915 121.423 120.500 0.013 0.000 2.282 3 R HA 0.288 4.628 4.340 0.000 0.000 0.195 3 R C 0.950 177.259 176.300 0.015 0.000 0.909 3 R CA 0.134 56.242 56.100 0.012 0.000 1.039 3 R CB 0.207 30.512 30.300 0.008 0.000 1.015 3 R HN 0.480 nan 8.270 nan 0.000 0.513 4 E N 1.575 121.785 120.200 0.018 0.000 2.521 4 E HA -0.145 4.205 4.350 0.000 0.000 0.265 4 E C -0.243 176.375 176.600 0.030 0.000 1.291 4 E CA 0.610 57.023 56.400 0.023 0.000 1.092 4 E CB 0.315 30.033 29.700 0.030 0.000 0.992 4 E HN -0.092 nan 8.360 nan 0.000 0.492 5 D N 0.591 121.016 120.400 0.041 0.000 2.313 5 D HA 0.111 4.751 4.640 0.000 0.000 0.239 5 D C -1.831 174.506 176.300 0.062 0.000 1.142 5 D CA -2.075 51.962 54.000 0.062 0.000 0.847 5 D CB 1.103 41.958 40.800 0.092 0.000 1.082 5 D HN 0.106 nan 8.370 nan 0.000 0.480 6 P HA -0.177 nan 4.420 nan 0.000 0.221 6 P C 0.898 178.212 177.300 0.024 0.000 1.145 6 P CA 0.815 63.933 63.100 0.029 0.000 0.795 6 P CB 0.439 32.147 31.700 0.013 0.000 0.775 7 Q N -0.413 119.399 119.800 0.021 0.000 2.403 7 Q HA 0.117 4.457 4.340 0.000 0.000 0.203 7 Q C 1.523 177.573 176.000 0.085 0.000 0.932 7 Q CA 0.457 56.240 55.803 -0.032 0.000 0.945 7 Q CB -0.601 27.982 28.738 -0.260 0.000 1.045 7 Q HN 0.223 nan 8.270 nan 0.000 0.511 8 L N -0.187 121.119 121.223 0.138 0.000 2.766 8 L HA 0.334 4.674 4.340 0.000 0.000 0.242 8 L C -0.468 176.568 176.870 0.276 0.000 1.136 8 L CA -0.155 54.799 54.840 0.191 0.000 0.933 8 L CB 0.524 42.630 42.059 0.078 0.000 1.241 8 L HN 0.101 nan 8.230 nan 0.000 0.522 9 L N 0.657 121.994 121.223 0.190 0.000 2.287 9 L HA 0.556 4.896 4.340 0.000 0.000 0.287 9 L C -0.683 176.239 176.870 0.087 0.000 1.022 9 L CA -0.497 54.441 54.840 0.163 0.000 0.814 9 L CB 1.823 43.938 42.059 0.093 0.000 1.217 9 L HN -0.255 nan 8.230 nan 0.000 0.420 10 V N 3.030 122.976 119.914 0.052 0.000 2.876 10 V HA 0.505 4.625 4.120 0.000 0.000 0.312 10 V C -0.366 175.666 176.094 -0.104 0.000 1.085 10 V CA -0.789 61.403 62.300 -0.181 0.000 0.945 10 V CB 2.690 34.132 31.823 -0.637 0.000 1.017 10 V HN 0.742 nan 8.190 nan 0.000 0.428 11 R N 2.203 122.614 120.500 -0.148 0.000 2.407 11 R HA 0.823 5.163 4.340 0.000 0.000 0.303 11 R C -0.928 175.309 176.300 -0.105 0.000 0.981 11 R CA -0.319 55.736 56.100 -0.075 0.000 0.905 11 R CB 1.759 32.013 30.300 -0.078 0.000 1.099 11 R HN 0.692 nan 8.270 nan 0.000 0.459 12 V N 1.669 121.583 119.914 0.000 0.000 3.155 12 V HA 0.495 4.615 4.120 0.000 0.000 0.313 12 V C 0.966 177.015 176.094 -0.075 0.000 1.162 12 V CA -1.098 61.205 62.300 0.005 0.000 1.048 12 V CB 1.650 33.631 31.823 0.264 0.000 1.092 12 V HN 0.848 nan 8.190 nan 0.000 0.447 13 R N 1.451 121.892 120.500 -0.099 0.000 2.170 13 R HA -0.019 4.321 4.340 0.000 0.000 0.242 13 R C 1.773 177.955 176.300 -0.197 0.000 1.145 13 R CA 2.333 58.357 56.100 -0.126 0.000 0.984 13 R CB -1.101 29.135 30.300 -0.106 0.000 0.869 13 R HN 1.037 nan 8.270 nan 0.000 0.455 14 G N -1.831 106.807 108.800 -0.269 0.000 2.494 14 G HA2 0.347 4.307 3.960 0.000 0.000 0.216 14 G HA3 0.347 4.307 3.960 0.000 0.000 0.216 14 G C 0.525 174.537 174.900 -1.480 0.000 1.140 14 G CA 0.446 45.079 45.100 -0.777 0.000 0.801 14 G HN 0.736 nan 8.290 nan 0.000 0.536 15 G N -1.184 107.034 108.800 -0.970 0.000 2.291 15 G HA2 0.148 4.109 3.960 0.000 0.000 0.249 15 G HA3 0.148 4.109 3.960 0.000 0.000 0.249 15 G C -1.334 173.542 174.900 -0.040 0.000 1.340 15 G CA -0.810 43.865 45.100 -0.708 0.000 1.017 15 G HN 0.302 nan 8.290 nan 0.000 0.470 16 Q N -0.207 119.741 119.800 0.247 0.000 2.243 16 Q HA 0.699 5.039 4.340 0.000 0.000 0.252 16 Q C -0.511 175.765 176.000 0.461 0.000 0.909 16 Q CA -0.263 55.726 55.803 0.310 0.000 0.922 16 Q CB 1.541 30.397 28.738 0.197 0.000 1.215 16 Q HN 0.439 nan 8.270 nan 0.000 0.427 17 L N 2.148 123.571 121.223 0.334 0.000 2.365 17 L HA 0.604 4.944 4.340 0.000 0.000 0.273 17 L C -0.449 176.601 176.870 0.300 0.000 1.000 17 L CA -0.775 54.270 54.840 0.342 0.000 0.819 17 L CB 2.002 44.317 42.059 0.427 0.000 1.284 17 L HN 0.452 nan 8.230 nan 0.000 0.418 18 R N 1.371 122.010 120.500 0.232 0.000 2.288 18 R HA 0.590 4.930 4.340 0.000 0.000 0.326 18 R C -0.076 176.282 176.300 0.096 0.000 0.959 18 R CA -0.289 55.912 56.100 0.169 0.000 0.834 18 R CB 1.383 31.730 30.300 0.079 0.000 1.157 18 R HN 0.827 nan 8.270 nan 0.000 0.470 19 G N 3.375 112.171 108.800 -0.007 0.000 2.531 19 G HA2 0.409 4.369 3.960 0.000 0.000 0.281 19 G HA3 0.409 4.369 3.960 0.000 0.000 0.281 19 G C -0.869 173.782 174.900 -0.415 0.000 1.382 19 G CA -0.705 44.044 45.100 -0.584 0.000 1.045 19 G HN 0.613 nan 8.290 nan 0.000 0.533 20 I N -1.123 119.148 120.570 -0.499 0.000 2.647 20 I HA 0.491 4.661 4.170 0.000 0.000 0.295 20 I C -0.102 175.864 176.117 -0.253 0.000 1.078 20 I CA -1.148 59.974 61.300 -0.296 0.000 1.048 20 I CB 2.139 39.977 38.000 -0.271 0.000 1.239 20 I HN 0.417 nan 8.210 nan 0.000 0.421 21 R N 8.132 128.516 120.500 -0.194 0.000 2.419 21 R HA 0.414 4.754 4.340 0.000 0.000 0.305 21 R C -1.406 174.753 176.300 -0.235 0.000 1.242 21 R CA -0.426 55.518 56.100 -0.259 0.000 1.105 21 R CB 0.056 30.134 30.300 -0.370 0.000 1.116 21 R HN 0.649 nan 8.270 nan 0.000 0.523 22 L N 3.359 124.476 121.223 -0.177 0.000 2.395 22 L HA 0.295 4.635 4.340 0.000 0.000 0.269 22 L C 0.357 177.151 176.870 -0.126 0.000 1.133 22 L CA -0.413 54.352 54.840 -0.125 0.000 0.812 22 L CB 1.020 43.046 42.059 -0.055 0.000 1.125 22 L HN 0.386 nan 8.230 nan 0.000 0.452 23 K N 1.798 122.136 120.400 -0.104 0.000 2.248 23 K HA 0.556 4.877 4.320 0.000 0.000 0.281 23 K C -0.606 175.949 176.600 -0.076 0.000 1.054 23 K CA -0.200 56.035 56.287 -0.085 0.000 0.903 23 K CB 1.219 33.680 32.500 -0.066 0.000 1.077 23 K HN 0.675 nan 8.250 nan 0.000 0.474 24 A N 5.251 128.033 122.820 -0.063 0.000 2.299 24 A HA 0.488 4.808 4.320 0.000 0.000 0.332 24 A C -1.959 175.653 177.584 0.047 0.000 1.131 24 A CA -1.738 50.273 52.037 -0.043 0.000 0.844 24 A CB 0.583 19.536 19.000 -0.078 0.000 1.251 24 A HN 0.634 nan 8.150 nan 0.000 0.486 25 P HA -0.159 nan 4.420 nan 0.000 0.216 25 P C 1.247 178.587 177.300 0.065 0.000 1.154 25 P CA 2.274 65.437 63.100 0.105 0.000 0.865 25 P CB 0.218 32.000 31.700 0.138 0.000 0.789 26 G N -2.630 106.212 108.800 0.070 0.000 3.088 26 G HA2 0.472 4.432 3.960 0.000 0.000 0.217 26 G HA3 0.472 4.432 3.960 0.000 0.000 0.217 26 G C 0.476 175.399 174.900 0.039 0.000 1.159 26 G CA 0.440 45.569 45.100 0.049 0.000 0.760 26 G HN 0.615 nan 8.290 nan 0.000 0.550 27 G N -0.574 108.243 108.800 0.029 0.000 2.369 27 G HA2 0.368 4.328 3.960 0.000 0.000 0.293 27 G HA3 0.368 4.328 3.960 0.000 0.000 0.293 27 G C -3.499 171.397 174.900 -0.006 0.000 1.301 27 G CA -0.821 44.290 45.100 0.018 0.000 0.913 27 G HN 0.037 nan 8.290 nan 0.000 0.540 28 P HA 0.547 nan 4.420 nan 0.000 0.282 28 P C 0.011 177.307 177.300 -0.006 0.000 1.249 28 P CA -0.506 62.523 63.100 -0.118 0.000 0.806 28 P CB 1.591 33.084 31.700 -0.346 0.000 0.984 29 V N -1.053 118.854 119.914 -0.011 0.000 2.960 29 V HA 0.649 4.769 4.120 0.000 0.000 0.315 29 V C -0.204 175.978 176.094 0.146 0.000 1.087 29 V CA -0.874 61.506 62.300 0.134 0.000 0.982 29 V CB 1.819 33.737 31.823 0.158 0.000 1.039 29 V HN 0.364 nan 8.190 nan 0.000 0.437 30 S N 1.938 117.807 115.700 0.282 0.000 2.489 30 S HA 0.775 5.245 4.470 0.000 0.000 0.277 30 S C 0.109 174.740 174.600 0.052 0.000 1.230 30 S CA 0.075 58.402 58.200 0.212 0.000 1.053 30 S CB 0.887 64.338 63.200 0.418 0.000 0.955 30 S HN 1.464 nan 8.310 nan 0.000 0.488 31 A N 3.134 125.789 122.820 -0.275 0.000 2.342 31 A HA 0.818 5.138 4.320 0.000 0.000 0.323 31 A C -1.144 176.018 177.584 -0.704 0.000 1.125 31 A CA -0.613 51.151 52.037 -0.455 0.000 0.785 31 A CB 0.485 19.160 19.000 -0.542 0.000 1.221 31 A HN 0.687 nan 8.150 nan 0.000 0.463 32 F N 2.604 122.389 119.950 -0.275 0.000 2.434 32 F HA 0.463 4.990 4.527 -0.000 0.000 0.367 32 F C -0.253 175.377 175.800 -0.285 0.000 1.093 32 F CA -0.269 57.642 58.000 -0.148 0.000 1.085 32 F CB 1.214 40.272 39.000 0.095 0.000 1.322 32 F HN 0.341 nan 8.300 nan 0.000 0.452 33 L N 1.831 122.906 121.223 -0.247 0.000 2.331 33 L HA 0.723 5.063 4.340 0.000 0.000 0.275 33 L C 0.955 177.728 176.870 -0.162 0.000 1.022 33 L CA -1.094 53.550 54.840 -0.327 0.000 0.812 33 L CB 1.719 43.376 42.059 -0.670 0.000 1.257 33 L HN 0.785 nan 8.230 nan 0.000 0.435 34 G N 2.850 111.614 108.800 -0.060 0.000 2.295 34 G HA2 -0.262 3.698 3.960 0.000 0.000 0.287 34 G HA3 -0.262 3.698 3.960 0.000 0.000 0.287 34 G C -0.124 174.815 174.900 0.065 0.000 1.055 34 G CA -0.237 44.834 45.100 -0.048 0.000 0.922 34 G HN 0.478 nan 8.290 nan 0.000 0.503 35 I N 1.513 122.145 120.570 0.102 0.000 2.379 35 I HA 0.233 4.403 4.170 0.000 0.000 0.290 35 I C -1.638 174.564 176.117 0.143 0.000 1.063 35 I CA -2.188 59.169 61.300 0.094 0.000 1.351 35 I CB 0.962 38.970 38.000 0.013 0.000 1.410 35 I HN -0.041 nan 8.210 nan 0.000 0.505 36 P HA 0.074 nan 4.420 nan 0.000 0.275 36 P C -0.212 177.039 177.300 -0.082 0.000 1.227 36 P CA -0.014 62.949 63.100 -0.228 0.000 0.781 36 P CB 0.415 31.976 31.700 -0.232 0.000 0.906 37 F N 0.220 120.021 119.950 -0.249 0.000 2.798 37 F HA 0.761 5.288 4.527 0.001 0.000 0.328 37 F C -0.064 175.719 175.800 -0.028 0.000 1.098 37 F CA -0.672 57.247 58.000 -0.134 0.000 1.172 37 F CB 0.077 38.892 39.000 -0.308 0.000 1.072 37 F HN 0.334 nan 8.300 nan 0.000 0.555 38 A N 0.136 122.649 122.820 -0.512 0.000 2.566 38 A HA 0.621 4.941 4.320 0.000 0.000 0.292 38 A C -0.838 176.582 177.584 -0.274 0.000 1.112 38 A CA -0.761 51.088 52.037 -0.313 0.000 0.707 38 A CB 1.030 19.775 19.000 -0.425 0.000 1.302 38 A HN 0.069 nan 8.150 nan 0.000 0.409 39 E N 1.013 121.129 120.200 -0.140 0.000 2.392 39 E HA 0.234 4.584 4.350 0.000 0.000 0.264 39 E C -2.309 174.190 176.600 -0.168 0.000 1.024 39 E CA -1.352 54.980 56.400 -0.114 0.000 0.903 39 E CB -0.003 29.669 29.700 -0.047 0.000 0.963 39 E HN 0.222 nan 8.360 nan 0.000 0.432 40 P HA -0.010 nan 4.420 nan 0.000 0.256 40 P C -2.266 174.969 177.300 -0.109 0.000 1.173 40 P CA -0.657 62.359 63.100 -0.140 0.000 0.768 40 P CB -0.180 31.473 31.700 -0.078 0.000 0.758 41 P HA 0.002 nan 4.420 nan 0.000 0.225 41 P C -0.129 177.114 177.300 -0.093 0.000 1.768 41 P CA 0.102 63.148 63.100 -0.091 0.000 0.943 41 P CB -0.201 31.449 31.700 -0.084 0.000 1.936 42 V N -2.560 117.305 119.914 -0.082 0.000 3.193 42 V HA 0.899 5.019 4.120 0.000 0.000 0.320 42 V C 1.083 177.135 176.094 -0.070 0.000 1.112 42 V CA 0.126 62.376 62.300 -0.084 0.000 1.026 42 V CB 0.712 32.494 31.823 -0.068 0.000 1.128 42 V HN 0.540 nan 8.190 nan 0.000 0.452 43 G N 2.052 110.810 108.800 -0.069 0.000 2.672 43 G HA2 -0.388 3.572 3.960 0.000 0.000 0.324 43 G HA3 -0.388 3.572 3.960 0.000 0.000 0.324 43 G C 1.343 176.214 174.900 -0.047 0.000 1.286 43 G CA 2.168 47.238 45.100 -0.050 0.000 1.004 43 G HN 2.430 nan 8.290 nan 0.000 0.548 44 S N 0.432 116.118 115.700 -0.022 0.000 2.493 44 S HA -0.054 4.416 4.470 0.000 0.000 0.243 44 S C 1.929 176.524 174.600 -0.007 0.000 0.991 44 S CA 1.815 60.012 58.200 -0.005 0.000 0.957 44 S CB -0.143 63.060 63.200 0.005 0.000 0.756 44 S HN 0.674 nan 8.310 nan 0.000 0.521 45 R N 0.924 121.406 120.500 -0.029 0.000 2.300 45 R HA 0.214 4.554 4.340 0.000 0.000 0.199 45 R C 0.935 177.198 176.300 -0.061 0.000 0.920 45 R CA -0.136 55.947 56.100 -0.029 0.000 1.046 45 R CB -0.257 30.023 30.300 -0.033 0.000 0.984 45 R HN 0.511 nan 8.270 nan 0.000 0.493 46 R N 0.866 121.285 120.500 -0.135 0.000 2.585 46 R HA -0.127 4.213 4.340 0.000 0.000 0.275 46 R C -0.249 175.868 176.300 -0.306 0.000 1.018 46 R CA 0.568 56.470 56.100 -0.331 0.000 1.072 46 R CB 0.095 30.070 30.300 -0.542 0.000 0.953 46 R HN 0.068 nan 8.270 nan 0.000 0.419 47 F N -0.697 119.265 119.950 0.020 0.000 2.571 47 F HA -0.306 4.221 4.527 -0.000 0.000 0.515 47 F C 0.252 176.040 175.800 -0.021 0.000 0.532 47 F CA 0.683 58.670 58.000 -0.022 0.000 1.158 47 F CB -1.432 37.544 39.000 -0.039 0.000 1.848 47 F HN 0.453 nan 8.300 nan 0.000 0.266 48 M N 1.848 121.525 119.600 0.128 0.000 2.255 48 M HA 0.328 4.808 4.480 0.000 0.000 0.336 48 M C -1.912 174.417 176.300 0.049 0.000 1.135 48 M CA -1.381 53.967 55.300 0.080 0.000 1.145 48 M CB 0.034 32.668 32.600 0.056 0.000 1.473 48 M HN -0.312 nan 8.290 nan 0.000 0.462 49 P HA 0.098 nan 4.420 nan 0.000 0.265 49 P C -2.336 174.990 177.300 0.043 0.000 1.193 49 P CA -0.576 62.553 63.100 0.050 0.000 0.765 49 P CB -0.562 31.176 31.700 0.063 0.000 0.823 50 P HA 0.029 nan 4.420 nan 0.000 0.264 50 P C -0.480 176.847 177.300 0.045 0.000 1.193 50 P CA 0.418 63.537 63.100 0.031 0.000 0.763 50 P CB 0.778 32.519 31.700 0.068 0.000 0.810 51 E N 4.551 124.763 120.200 0.021 0.000 2.216 51 E HA 0.301 4.651 4.350 0.000 0.000 0.279 51 E C -2.189 174.435 176.600 0.040 0.000 0.997 51 E CA -2.212 54.209 56.400 0.035 0.000 0.817 51 E CB 0.283 29.996 29.700 0.023 0.000 1.096 51 E HN 0.360 nan 8.360 nan 0.000 0.393 52 P HA -0.106 nan 4.420 nan 0.000 0.266 52 P C -0.613 176.742 177.300 0.092 0.000 1.193 52 P CA 0.035 63.203 63.100 0.113 0.000 0.770 52 P CB 0.405 32.178 31.700 0.121 0.000 0.836 53 K N 4.007 124.483 120.400 0.127 0.000 2.412 53 K HA 0.046 4.366 4.320 0.000 0.000 0.284 53 K C 0.029 176.723 176.600 0.157 0.000 1.046 53 K CA 0.390 56.756 56.287 0.133 0.000 0.999 53 K CB -0.032 32.594 32.500 0.211 0.000 0.941 53 K HN 0.261 nan 8.250 nan 0.000 0.474 54 R N 5.410 125.984 120.500 0.124 0.000 2.537 54 R HA 0.102 4.442 4.340 0.000 0.000 0.280 54 R C -1.975 174.411 176.300 0.143 0.000 1.058 54 R CA -1.514 54.649 56.100 0.104 0.000 1.057 54 R CB -0.023 30.327 30.300 0.082 0.000 0.973 54 R HN 0.565 nan 8.270 nan 0.000 0.438 55 P HA -0.077 nan 4.420 nan 0.000 0.266 55 P C -0.964 176.345 177.300 0.015 0.000 1.195 55 P CA 0.150 63.172 63.100 -0.130 0.000 0.768 55 P CB 0.322 31.913 31.700 -0.180 0.000 0.838 56 W N 1.265 122.600 121.300 0.058 0.000 2.758 56 W HA 0.715 5.375 4.660 -0.000 0.000 0.355 56 W C -0.652 175.894 176.519 0.044 0.000 1.223 56 W CA -0.967 56.408 57.345 0.050 0.000 1.182 56 W CB -0.108 29.389 29.460 0.061 0.000 1.464 56 W HN 0.366 nan 8.180 nan 0.000 0.630 57 S N 0.854 116.758 115.700 0.339 0.000 2.501 57 S HA 0.833 5.304 4.470 0.000 0.000 0.301 57 S C 0.184 174.950 174.600 0.276 0.000 1.096 57 S CA -0.039 58.281 58.200 0.199 0.000 1.063 57 S CB 0.970 64.240 63.200 0.117 0.000 1.042 57 S HN 2.184 nan 8.310 nan 0.000 0.494 58 G N 0.680 109.596 108.800 0.194 0.000 2.681 58 G HA2 -0.128 3.832 3.960 0.000 0.000 0.220 58 G HA3 -0.128 3.832 3.960 0.000 0.000 0.220 58 G C -0.798 174.262 174.900 0.266 0.000 1.353 58 G CA -0.408 44.800 45.100 0.180 0.000 0.872 58 G HN 1.626 nan 8.290 nan 0.000 0.557 59 V N 1.192 121.221 119.914 0.192 0.000 2.348 59 V HA 0.477 4.597 4.120 0.000 0.000 0.270 59 V C 1.006 177.190 176.094 0.150 0.000 1.037 59 V CA -0.152 62.267 62.300 0.199 0.000 0.872 59 V CB 1.048 32.947 31.823 0.127 0.000 1.002 59 V HN 0.779 nan 8.190 nan 0.000 0.464 60 L N 5.164 126.486 121.223 0.165 0.000 2.360 60 L HA 0.308 4.648 4.340 0.000 0.000 0.276 60 L C 0.578 177.432 176.870 -0.027 0.000 1.121 60 L CA -0.046 54.739 54.840 -0.092 0.000 0.845 60 L CB 0.626 42.387 42.059 -0.498 0.000 1.143 60 L HN 0.658 nan 8.230 nan 0.000 0.452 61 D N 4.920 125.283 120.400 -0.062 0.000 2.343 61 D HA 0.158 4.798 4.640 0.000 0.000 0.255 61 D C -0.340 175.915 176.300 -0.074 0.000 1.187 61 D CA 0.022 53.993 54.000 -0.049 0.000 0.875 61 D CB 1.606 42.369 40.800 -0.063 0.000 1.136 61 D HN 0.680 nan 8.370 nan 0.000 0.469 62 A N 3.160 125.956 122.820 -0.040 0.000 2.985 62 A HA 0.193 4.513 4.320 0.000 0.000 0.303 62 A C 0.958 178.446 177.584 -0.161 0.000 1.048 62 A CA -0.395 51.609 52.037 -0.055 0.000 1.016 62 A CB -0.116 18.949 19.000 0.109 0.000 1.118 62 A HN 0.572 nan 8.150 nan 0.000 0.529 63 T N -3.128 111.313 114.554 -0.189 0.000 3.023 63 T HA 0.256 4.606 4.350 0.000 0.000 0.253 63 T C 0.714 175.238 174.700 -0.294 0.000 1.038 63 T CA 0.805 62.759 62.100 -0.243 0.000 0.962 63 T CB -0.229 68.530 68.868 -0.181 0.000 1.018 63 T HN 0.692 nan 8.240 nan 0.000 0.521 64 T N -0.635 113.747 114.554 -0.286 0.000 2.896 64 T HA 0.704 5.054 4.350 0.000 0.000 0.297 64 T C -0.883 173.639 174.700 -0.297 0.000 1.108 64 T CA -0.899 61.023 62.100 -0.297 0.000 1.004 64 T CB 1.108 69.872 68.868 -0.173 0.000 1.159 64 T HN -0.008 nan 8.240 nan 0.000 0.499 65 F N 2.031 121.904 119.950 -0.128 0.000 2.471 65 F HA 0.364 4.891 4.527 0.000 0.000 0.353 65 F C 1.443 177.134 175.800 -0.180 0.000 1.113 65 F CA -0.296 57.629 58.000 -0.125 0.000 1.262 65 F CB 0.606 39.562 39.000 -0.073 0.000 1.146 65 F HN 0.483 nan 8.300 nan 0.000 0.578 66 Q N 1.610 121.396 119.800 -0.024 0.000 2.272 66 Q HA 0.168 4.508 4.340 0.000 0.000 0.192 66 Q C -0.004 175.905 176.000 -0.152 0.000 1.059 66 Q CA -0.535 55.100 55.803 -0.281 0.000 1.084 66 Q CB 0.436 28.712 28.738 -0.770 0.000 1.139 66 Q HN 0.532 nan 8.270 nan 0.000 0.593 67 N N -0.352 118.229 118.700 -0.200 0.000 2.344 67 N HA 0.005 4.745 4.740 0.000 0.000 0.236 67 N C -0.559 174.920 175.510 -0.052 0.000 1.279 67 N CA 0.162 53.153 53.050 -0.100 0.000 0.882 67 N CB 0.383 38.829 38.487 -0.069 0.000 1.110 67 N HN 0.159 nan 8.380 nan 0.000 0.436 68 V N 1.390 121.248 119.914 -0.093 0.000 2.481 68 V HA 0.121 4.241 4.120 0.000 0.000 0.286 68 V C 0.472 176.499 176.094 -0.111 0.000 1.042 68 V CA -0.889 61.345 62.300 -0.110 0.000 0.928 68 V CB 1.215 32.938 31.823 -0.167 0.000 0.986 68 V HN 0.716 nan 8.190 nan 0.000 0.462 69 c N 4.366 122.922 118.600 -0.074 0.000 2.596 69 c HA 0.061 4.631 4.570 0.000 0.000 0.414 69 c C 0.573 174.606 174.090 -0.096 0.000 1.396 69 c CA -0.561 55.732 56.329 -0.059 0.000 1.698 69 c CB -1.344 41.162 42.510 -0.006 0.000 2.572 69 c HN 0.744 nan 8.230 nan 0.000 0.604 70 Y N 3.946 124.096 120.300 -0.251 0.000 2.881 70 Y HA 0.132 4.682 4.550 0.000 0.000 0.335 70 Y C 0.916 176.794 175.900 -0.036 0.000 1.263 70 Y CA 1.102 59.037 58.100 -0.276 0.000 1.572 70 Y CB 0.118 38.164 38.460 -0.690 0.000 1.237 70 Y HN 0.756 nan 8.280 nan 0.000 0.568 71 Q N 3.981 123.847 119.800 0.111 0.000 2.575 71 Q HA 0.247 4.587 4.340 0.000 0.000 0.290 71 Q C -1.912 174.242 176.000 0.257 0.000 0.963 71 Q CA -1.233 54.721 55.803 0.252 0.000 0.783 71 Q CB 1.267 30.082 28.738 0.128 0.000 1.467 71 Q HN 0.626 nan 8.270 nan 0.000 0.402 72 Y N 1.198 121.640 120.300 0.237 0.000 2.425 72 Y HA 0.416 4.966 4.550 -0.000 0.000 0.331 72 Y C -1.012 174.980 175.900 0.153 0.000 1.157 72 Y CA 0.075 58.293 58.100 0.197 0.000 1.372 72 Y CB 1.046 39.613 38.460 0.178 0.000 1.253 72 Y HN 0.458 nan 8.280 nan 0.000 0.536 73 V N 6.555 126.175 119.914 -0.489 0.000 2.398 73 V HA 0.163 4.283 4.120 0.000 0.000 0.286 73 V C -0.419 175.449 176.094 -0.376 0.000 1.026 73 V CA -1.073 61.051 62.300 -0.292 0.000 0.868 73 V CB 1.450 33.154 31.823 -0.198 0.000 0.982 73 V HN 0.730 nan 8.190 nan 0.000 0.443 74 D N 3.355 123.763 120.400 0.014 0.000 2.308 74 D HA 0.300 4.940 4.640 0.000 0.000 0.251 74 D C 0.470 176.877 176.300 0.177 0.000 1.127 74 D CA 0.222 54.352 54.000 0.217 0.000 0.876 74 D CB 1.781 42.831 40.800 0.417 0.000 1.176 74 D HN 0.756 nan 8.370 nan 0.000 0.446 75 T N 0.261 114.929 114.554 0.189 0.000 3.584 75 T HA 0.120 4.470 4.350 0.000 0.000 0.259 75 T C 1.007 175.765 174.700 0.098 0.000 1.009 75 T CA -0.491 61.681 62.100 0.120 0.000 1.103 75 T CB 0.053 68.958 68.868 0.062 0.000 1.099 75 T HN 0.083 nan 8.240 nan 0.000 0.539 76 L N 0.441 121.722 121.223 0.097 0.000 2.102 76 L HA 0.419 4.759 4.340 0.000 0.000 0.202 76 L C -0.260 176.331 176.870 -0.466 0.000 1.076 76 L CA 1.274 55.989 54.840 -0.209 0.000 0.761 76 L CB -0.104 41.711 42.059 -0.407 0.000 0.921 76 L HN 0.457 nan 8.230 nan 0.000 0.444 77 Y N 0.533 120.876 120.300 0.072 0.000 2.919 77 Y HA 0.416 4.966 4.550 0.000 0.000 0.341 77 Y C -2.158 173.806 175.900 0.107 0.000 1.045 77 Y CA -3.398 54.733 58.100 0.052 0.000 1.218 77 Y CB -0.122 38.352 38.460 0.023 0.000 1.137 77 Y HN 0.085 nan 8.280 nan 0.000 0.577 78 P HA 0.150 nan 4.420 nan 0.000 0.264 78 P C 0.980 178.348 177.300 0.113 0.000 1.236 78 P CA 1.188 64.354 63.100 0.110 0.000 0.811 78 P CB 0.498 32.233 31.700 0.059 0.000 0.840 79 G N 3.243 112.107 108.800 0.108 0.000 2.259 79 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 79 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 79 G C -0.039 174.916 174.900 0.093 0.000 1.001 79 G CA -0.637 44.505 45.100 0.071 0.000 0.627 79 G HN 0.492 nan 8.290 nan 0.000 0.501 80 F N 2.791 122.721 119.950 -0.035 0.000 2.543 80 F HA 0.565 5.092 4.527 -0.000 0.000 0.375 80 F C 1.398 177.118 175.800 -0.134 0.000 1.075 80 F CA -0.139 57.790 58.000 -0.119 0.000 1.225 80 F CB 1.399 40.307 39.000 -0.153 0.000 1.099 80 F HN 0.168 nan 8.300 nan 0.000 0.561 81 E N 3.916 123.700 120.200 -0.693 0.000 2.204 81 E HA -0.041 4.309 4.350 0.000 0.000 0.195 81 E C 2.213 178.319 176.600 -0.823 0.000 0.990 81 E CA 1.569 57.591 56.400 -0.631 0.000 0.821 81 E CB -0.458 28.963 29.700 -0.464 0.000 0.750 81 E HN 0.880 nan 8.360 nan 0.000 0.477 82 G N -0.651 107.122 108.800 -1.712 0.000 2.448 82 G HA2 -0.281 3.679 3.960 0.000 0.000 0.219 82 G HA3 -0.281 3.679 3.960 0.000 0.000 0.219 82 G C 1.683 176.565 174.900 -0.030 0.000 1.127 82 G CA 1.591 46.043 45.100 -1.079 0.000 0.766 82 G HN 0.487 nan 8.290 nan 0.000 0.552 83 T N -2.374 112.150 114.554 -0.051 0.000 3.042 83 T HA 0.122 4.472 4.350 0.000 0.000 0.245 83 T C 1.892 176.742 174.700 0.251 0.000 1.029 83 T CA 0.759 63.130 62.100 0.451 0.000 1.120 83 T CB 0.027 69.254 68.868 0.597 0.000 0.917 83 T HN 0.121 nan 8.240 nan 0.000 0.467 84 E N 2.344 122.556 120.200 0.020 0.000 2.209 84 E HA -0.124 4.226 4.350 0.000 0.000 0.196 84 E C 2.238 178.747 176.600 -0.151 0.000 0.993 84 E CA 1.462 57.836 56.400 -0.045 0.000 0.819 84 E CB -0.536 29.107 29.700 -0.094 0.000 0.745 84 E HN 0.820 nan 8.360 nan 0.000 0.477 85 M N -2.144 117.271 119.600 -0.308 0.000 2.279 85 M HA -0.085 4.396 4.480 0.000 0.000 0.264 85 M C 1.510 177.451 176.300 -0.598 0.000 1.062 85 M CA 1.496 56.472 55.300 -0.540 0.000 1.099 85 M CB -0.643 31.494 32.600 -0.772 0.000 1.394 85 M HN 0.007 nan 8.290 nan 0.000 0.426 86 W N 1.166 122.386 121.300 -0.133 0.000 2.863 86 W HA 0.219 4.879 4.660 -0.001 0.000 0.258 86 W C 0.549 176.979 176.519 -0.149 0.000 1.298 86 W CA -0.888 56.364 57.345 -0.155 0.000 1.451 86 W CB -0.304 29.111 29.460 -0.075 0.000 1.107 86 W HN 0.130 nan 8.180 nan 0.000 0.641 87 N N 1.611 120.344 118.700 0.055 0.000 2.453 87 N HA 0.082 4.822 4.740 0.000 0.000 0.253 87 N C -2.356 173.099 175.510 -0.092 0.000 1.252 87 N CA -1.219 51.828 53.050 -0.006 0.000 0.917 87 N CB -0.171 38.313 38.487 -0.005 0.000 1.117 87 N HN -0.307 nan 8.380 nan 0.000 0.442 88 P HA 0.056 nan 4.420 nan 0.000 0.266 88 P C 0.208 177.420 177.300 -0.146 0.000 1.195 88 P CA 0.127 63.136 63.100 -0.152 0.000 0.768 88 P CB 0.357 31.962 31.700 -0.157 0.000 0.838 89 N N 1.570 120.172 118.700 -0.162 0.000 2.241 89 N HA 0.117 4.857 4.740 0.000 0.000 0.238 89 N C 0.078 175.519 175.510 -0.115 0.000 1.244 89 N CA -0.100 52.865 53.050 -0.141 0.000 0.880 89 N CB 0.530 38.917 38.487 -0.166 0.000 1.179 89 N HN 0.132 nan 8.380 nan 0.000 0.513 90 R N 0.242 120.670 120.500 -0.120 0.000 2.817 90 R HA 0.273 4.613 4.340 0.000 0.000 0.268 90 R C -0.826 175.405 176.300 -0.115 0.000 1.027 90 R CA -0.606 55.437 56.100 -0.094 0.000 0.928 90 R CB 1.311 31.565 30.300 -0.077 0.000 1.228 90 R HN 0.319 nan 8.270 nan 0.000 0.469 91 E N 1.624 121.760 120.200 -0.106 0.000 2.413 91 E HA 0.037 4.387 4.350 0.000 0.000 0.263 91 E C -0.424 176.078 176.600 -0.164 0.000 1.015 91 E CA -0.089 56.238 56.400 -0.123 0.000 0.916 91 E CB 0.573 30.215 29.700 -0.097 0.000 0.947 91 E HN 0.290 nan 8.360 nan 0.000 0.440 92 L N 3.247 124.328 121.223 -0.238 0.000 2.380 92 L HA 0.229 4.569 4.340 0.000 0.000 0.273 92 L C 0.334 177.021 176.870 -0.305 0.000 1.138 92 L CA 0.088 54.691 54.840 -0.395 0.000 0.832 92 L CB 1.025 42.644 42.059 -0.732 0.000 1.124 92 L HN 0.506 nan 8.230 nan 0.000 0.454 93 S N 1.082 116.664 115.700 -0.197 0.000 2.608 93 S HA 0.127 4.597 4.470 0.000 0.000 0.285 93 S C 0.116 174.729 174.600 0.021 0.000 1.108 93 S CA -0.695 57.524 58.200 0.032 0.000 0.858 93 S CB 1.347 64.542 63.200 -0.007 0.000 1.077 93 S HN 0.751 nan 8.310 nan 0.000 0.450 94 E N 0.964 121.159 120.200 -0.008 0.000 2.274 94 E HA -0.051 4.299 4.350 0.000 0.000 0.194 94 E C -0.309 176.242 176.600 -0.081 0.000 0.996 94 E CA 0.497 56.810 56.400 -0.145 0.000 0.840 94 E CB 0.077 29.639 29.700 -0.231 0.000 0.772 94 E HN 0.551 nan 8.360 nan 0.000 0.491 95 D N -0.242 120.144 120.400 -0.025 0.000 2.393 95 D HA 0.041 4.681 4.640 0.000 0.000 0.232 95 D C -0.217 176.166 176.300 0.138 0.000 1.192 95 D CA -0.149 53.864 54.000 0.022 0.000 0.882 95 D CB 0.736 41.563 40.800 0.047 0.000 1.038 95 D HN -0.023 nan 8.370 nan 0.000 0.499 96 c N 4.166 122.833 118.600 0.111 0.000 4.673 96 c HA 0.251 4.821 4.570 0.000 0.000 0.528 96 c C 0.059 174.219 174.090 0.116 0.000 1.406 96 c CA -0.302 56.097 56.329 0.116 0.000 2.438 96 c CB -0.505 42.002 42.510 -0.005 0.000 3.494 96 c HN 0.594 nan 8.230 nan 0.000 0.537 97 L N 2.756 123.807 121.223 -0.286 0.000 2.358 97 L HA 0.424 4.764 4.340 0.000 0.000 0.274 97 L C -1.303 174.992 176.870 -0.959 0.000 1.136 97 L CA 0.180 54.650 54.840 -0.616 0.000 0.970 97 L CB -0.418 41.102 42.059 -0.898 0.000 1.314 97 L HN 0.372 nan 8.230 nan 0.000 0.427 98 Y N 2.127 122.435 120.300 0.014 0.000 2.524 98 Y HA 0.595 5.145 4.550 -0.000 0.000 0.347 98 Y C -0.118 175.980 175.900 0.331 0.000 1.005 98 Y CA -1.217 56.964 58.100 0.135 0.000 1.025 98 Y CB 2.065 40.541 38.460 0.027 0.000 1.275 98 Y HN 0.239 nan 8.280 nan 0.000 0.460 99 L N -0.243 121.169 121.223 0.314 0.000 2.279 99 L HA 0.783 5.123 4.340 0.000 0.000 0.262 99 L C -1.323 175.558 176.870 0.019 0.000 1.019 99 L CA -1.134 53.755 54.840 0.083 0.000 0.823 99 L CB 1.674 43.589 42.059 -0.241 0.000 1.358 99 L HN 0.554 nan 8.230 nan 0.000 0.432 100 N N -0.749 117.970 118.700 0.031 0.000 2.272 100 N HA 0.812 5.552 4.740 0.000 0.000 0.305 100 N C -1.593 173.853 175.510 -0.107 0.000 1.103 100 N CA -0.843 52.154 53.050 -0.087 0.000 0.791 100 N CB 2.695 41.130 38.487 -0.086 0.000 1.356 100 N HN 0.466 nan 8.380 nan 0.000 0.486 101 V N 1.208 120.990 119.914 -0.220 0.000 2.577 101 V HA 0.437 4.557 4.120 0.000 0.000 0.303 101 V C -0.989 175.088 176.094 -0.028 0.000 1.042 101 V CA -0.729 61.531 62.300 -0.066 0.000 0.872 101 V CB 1.362 33.032 31.823 -0.256 0.000 0.998 101 V HN 0.619 nan 8.190 nan 0.000 0.423 102 W N 2.888 124.292 121.300 0.173 0.000 2.632 102 W HA 0.696 5.357 4.660 0.001 0.000 0.328 102 W C 0.110 176.742 176.519 0.189 0.000 1.044 102 W CA -0.471 56.981 57.345 0.178 0.000 1.225 102 W CB 2.495 32.033 29.460 0.129 0.000 1.396 102 W HN 0.652 nan 8.180 nan 0.000 0.499 103 T N -0.011 114.802 114.554 0.431 0.000 2.883 103 T HA 0.515 4.865 4.350 0.000 0.000 0.296 103 T C -2.833 172.044 174.700 0.295 0.000 1.117 103 T CA -2.413 59.890 62.100 0.338 0.000 1.006 103 T CB 2.242 71.327 68.868 0.361 0.000 1.191 103 T HN -0.093 nan 8.240 nan 0.000 0.508 104 P HA 0.175 nan 4.420 nan 0.000 0.269 104 P C -1.531 175.920 177.300 0.251 0.000 1.211 104 P CA -0.092 63.129 63.100 0.201 0.000 0.781 104 P CB 0.086 31.872 31.700 0.143 0.000 0.877 105 Y N 1.960 122.319 120.300 0.098 0.000 2.338 105 Y HA 0.458 5.008 4.550 -0.000 0.000 0.333 105 Y C -2.410 173.528 175.900 0.062 0.000 0.968 105 Y CA -2.460 55.691 58.100 0.085 0.000 1.123 105 Y CB 1.074 39.573 38.460 0.064 0.000 1.165 105 Y HN 0.345 nan 8.280 nan 0.000 0.452 106 P HA 0.324 nan 4.420 nan 0.000 0.279 106 P C -0.845 176.413 177.300 -0.069 0.000 1.282 106 P CA -0.556 62.333 63.100 -0.352 0.000 0.788 106 P CB 0.808 32.329 31.700 -0.299 0.000 1.139 107 R N 0.187 120.662 120.500 -0.041 0.000 2.784 107 R HA 0.210 4.550 4.340 0.000 0.000 0.266 107 R C -1.932 174.393 176.300 0.042 0.000 1.044 107 R CA -1.072 55.063 56.100 0.059 0.000 1.151 107 R CB -1.015 29.330 30.300 0.076 0.000 1.037 107 R HN 0.417 nan 8.270 nan 0.000 0.478 108 P HA -0.049 nan 4.420 nan 0.000 0.267 108 P C -0.219 177.097 177.300 0.028 0.000 1.200 108 P CA 0.271 63.401 63.100 0.051 0.000 0.772 108 P CB 0.783 32.523 31.700 0.067 0.000 0.855 109 A N 2.824 125.655 122.820 0.019 0.000 1.825 109 A HA -0.040 4.280 4.320 0.000 0.000 0.214 109 A C 0.851 178.439 177.584 0.007 0.000 1.206 109 A CA 1.575 53.617 52.037 0.007 0.000 0.609 109 A CB -1.328 17.676 19.000 0.006 0.000 0.851 109 A HN 0.644 nan 8.150 nan 0.000 0.445 110 S N 0.753 116.459 115.700 0.009 0.000 2.632 110 S HA 0.511 4.981 4.470 0.000 0.000 0.271 110 S C -2.748 171.860 174.600 0.014 0.000 1.260 110 S CA -1.580 56.624 58.200 0.006 0.000 1.010 110 S CB 0.534 63.735 63.200 0.003 0.000 0.965 110 S HN 0.358 nan 8.310 nan 0.000 0.534 111 P HA 0.088 nan 4.420 nan 0.000 0.261 111 P C -0.589 176.724 177.300 0.021 0.000 1.183 111 P CA 0.196 63.307 63.100 0.019 0.000 0.761 111 P CB -0.068 31.636 31.700 0.007 0.000 0.785 112 T N 5.537 120.115 114.554 0.040 0.000 2.867 112 T HA 0.420 4.770 4.350 0.000 0.000 0.282 112 T C -2.375 172.351 174.700 0.043 0.000 1.000 112 T CA -1.808 60.317 62.100 0.041 0.000 1.042 112 T CB 0.789 69.695 68.868 0.063 0.000 0.973 112 T HN 0.241 nan 8.240 nan 0.000 0.465 113 P HA 0.255 nan 4.420 nan 0.000 0.271 113 P C -0.935 176.399 177.300 0.057 0.000 1.216 113 P CA -0.400 62.715 63.100 0.025 0.000 0.776 113 P CB 0.436 32.131 31.700 -0.010 0.000 0.881 114 V N 4.372 124.337 119.914 0.085 0.000 2.435 114 V HA 0.328 4.448 4.120 0.000 0.000 0.290 114 V C 0.290 176.464 176.094 0.134 0.000 1.030 114 V CA -0.572 61.800 62.300 0.121 0.000 0.881 114 V CB 1.181 33.089 31.823 0.142 0.000 0.983 114 V HN 0.348 nan 8.190 nan 0.000 0.445 115 L N 5.619 126.934 121.223 0.154 0.000 2.295 115 L HA 0.599 4.940 4.340 0.000 0.000 0.285 115 L C -0.557 176.537 176.870 0.373 0.000 1.035 115 L CA -0.314 54.650 54.840 0.205 0.000 0.806 115 L CB 1.566 43.660 42.059 0.057 0.000 1.214 115 L HN 0.471 nan 8.230 nan 0.000 0.426 116 I N 2.612 123.442 120.570 0.434 0.000 2.362 116 I HA 0.221 4.391 4.170 0.000 0.000 0.289 116 I C -0.617 175.778 176.117 0.463 0.000 0.994 116 I CA -0.436 61.096 61.300 0.388 0.000 1.158 116 I CB 1.518 39.625 38.000 0.177 0.000 1.315 116 I HN 0.650 nan 8.210 nan 0.000 0.451 117 W N 8.395 129.783 121.300 0.147 0.000 2.365 117 W HA 0.545 5.205 4.660 -0.001 0.000 0.316 117 W C -1.450 174.937 176.519 -0.220 0.000 1.164 117 W CA -0.588 56.590 57.345 -0.277 0.000 1.204 117 W CB 1.186 30.533 29.460 -0.189 0.000 1.213 117 W HN 0.348 nan 8.180 nan 0.000 0.539 118 I N 9.064 128.947 120.570 -1.145 0.000 2.420 118 I HA 0.064 4.234 4.170 0.000 0.000 0.282 118 I C -0.319 174.976 176.117 -1.370 0.000 1.019 118 I CA -1.111 59.588 61.300 -1.002 0.000 1.130 118 I CB 0.585 38.184 38.000 -0.669 0.000 1.262 118 I HN 0.312 nan 8.210 nan 0.000 0.454 119 Y N 4.401 124.195 120.300 -0.843 0.000 2.457 119 Y HA 0.615 5.164 4.550 -0.000 0.000 0.341 119 Y C 0.791 176.467 175.900 -0.372 0.000 1.240 119 Y CA -0.705 57.011 58.100 -0.639 0.000 1.437 119 Y CB -0.081 38.207 38.460 -0.287 0.000 1.328 119 Y HN 0.548 nan 8.280 nan 0.000 0.588 120 G N -0.667 108.091 108.800 -0.070 0.000 2.583 120 G HA2 0.497 4.457 3.960 0.000 0.000 0.280 120 G HA3 0.497 4.457 3.960 0.000 0.000 0.280 120 G C 0.270 175.075 174.900 -0.158 0.000 1.376 120 G CA -0.916 44.072 45.100 -0.185 0.000 1.043 120 G HN 1.709 nan 8.290 nan 0.000 0.538 121 G N -2.942 105.590 108.800 -0.446 0.000 2.321 121 G HA2 0.421 4.381 3.960 0.000 0.000 0.219 121 G HA3 0.421 4.381 3.960 0.000 0.000 0.219 121 G C 1.014 175.319 174.900 -0.992 0.000 1.057 121 G CA 0.743 45.465 45.100 -0.629 0.000 0.849 121 G HN 2.310 nan 8.290 nan 0.000 0.520 122 G N -0.463 107.709 108.800 -1.045 0.000 2.166 122 G HA2 -0.155 3.805 3.960 0.000 0.000 0.260 122 G HA3 -0.155 3.805 3.960 0.000 0.000 0.260 122 G C 0.910 175.435 174.900 -0.625 0.000 0.986 122 G CA 0.783 45.012 45.100 -1.452 0.000 0.683 122 G HN 1.749 nan 8.290 nan 0.000 0.527 123 F N -3.200 116.531 119.950 -0.365 0.000 2.914 123 F HA -0.289 4.238 4.527 -0.000 0.000 0.304 123 F C 1.324 177.180 175.800 0.094 0.000 0.712 123 F CA 2.109 60.037 58.000 -0.121 0.000 1.211 123 F CB -2.086 36.710 39.000 -0.339 0.000 1.515 123 F HN 0.992 nan 8.300 nan 0.000 0.350 124 Y N -1.186 119.157 120.300 0.072 0.000 2.563 124 Y HA 0.680 5.230 4.550 -0.000 0.000 0.250 124 Y C 0.385 176.329 175.900 0.073 0.000 1.126 124 Y CA 0.120 58.292 58.100 0.120 0.000 1.231 124 Y CB 0.007 38.492 38.460 0.041 0.000 1.288 124 Y HN 0.078 nan 8.280 nan 0.000 0.537 125 S N -0.964 114.477 115.700 -0.432 0.000 2.661 125 S HA 0.864 5.334 4.470 0.000 0.000 0.268 125 S C -0.238 174.156 174.600 -0.344 0.000 1.162 125 S CA -0.568 57.430 58.200 -0.337 0.000 0.817 125 S CB 1.360 64.309 63.200 -0.418 0.000 1.141 125 S HN 1.363 nan 8.310 nan 0.000 0.477 126 G N -0.810 107.742 108.800 -0.412 0.000 2.465 126 G HA2 0.557 4.517 3.960 0.000 0.000 0.681 126 G HA3 0.557 4.517 3.960 0.000 0.000 0.681 126 G C -0.766 173.391 174.900 -1.238 0.000 1.340 126 G CA -0.143 44.483 45.100 -0.790 0.000 0.884 126 G HN 2.125 nan 8.290 nan 0.000 0.650 127 A N -0.508 121.541 122.820 -1.284 0.000 2.589 127 A HA 1.010 5.330 4.320 0.000 0.000 0.296 127 A C 0.572 178.001 177.584 -0.259 0.000 1.062 127 A CA 0.468 52.055 52.037 -0.750 0.000 0.686 127 A CB 1.119 19.898 19.000 -0.368 0.000 1.282 127 A HN 2.567 nan 8.150 nan 0.000 0.404 128 A N 0.514 123.402 122.820 0.113 0.000 2.208 128 A HA 0.270 4.590 4.320 0.000 0.000 0.209 128 A C 1.687 179.323 177.584 0.086 0.000 1.161 128 A CA 1.636 53.884 52.037 0.352 0.000 0.782 128 A CB -0.505 18.760 19.000 0.441 0.000 0.816 128 A HN 1.776 nan 8.150 nan 0.000 0.477 129 S N -0.419 115.092 115.700 -0.315 0.000 2.575 129 S HA 0.295 4.765 4.470 0.000 0.000 0.215 129 S C 0.527 174.688 174.600 -0.731 0.000 0.966 129 S CA -0.456 57.071 58.200 -1.122 0.000 0.911 129 S CB -0.626 61.826 63.200 -1.246 0.000 0.780 129 S HN 0.385 nan 8.310 nan 0.000 0.514 130 L N 2.354 123.340 121.223 -0.395 0.000 2.506 130 L HA 0.105 4.445 4.340 0.000 0.000 0.281 130 L C 1.213 177.799 176.870 -0.474 0.000 1.228 130 L CA -0.431 54.132 54.840 -0.463 0.000 0.850 130 L CB 0.143 41.812 42.059 -0.649 0.000 1.110 130 L HN 0.070 nan 8.230 nan 0.000 0.496 131 D N 1.297 121.451 120.400 -0.410 0.000 2.133 131 D HA -0.160 4.480 4.640 0.000 0.000 0.195 131 D C 2.031 178.064 176.300 -0.445 0.000 0.997 131 D CA 1.550 55.359 54.000 -0.318 0.000 0.840 131 D CB -0.107 40.537 40.800 -0.259 0.000 0.947 131 D HN 0.564 nan 8.370 nan 0.000 0.452 132 V N -1.331 118.159 119.914 -0.706 0.000 3.026 132 V HA -0.178 3.942 4.120 0.000 0.000 0.265 132 V C 1.089 176.531 176.094 -1.086 0.000 1.121 132 V CA 1.134 62.944 62.300 -0.816 0.000 1.142 132 V CB -1.170 30.098 31.823 -0.924 0.000 0.730 132 V HN 0.088 nan 8.190 nan 0.000 0.503 133 Y N 0.204 119.953 120.300 -0.917 0.000 2.571 133 Y HA 0.457 5.007 4.550 -0.000 0.000 0.275 133 Y C 0.815 176.198 175.900 -0.861 0.000 1.179 133 Y CA -1.909 55.318 58.100 -1.454 0.000 1.242 133 Y CB -0.770 37.174 38.460 -0.859 0.000 1.126 133 Y HN 0.243 nan 8.280 nan 0.000 0.524 134 D N 0.931 121.075 120.400 -0.428 0.000 2.363 134 D HA 0.052 4.692 4.640 0.000 0.000 0.263 134 D C 1.333 177.342 176.300 -0.485 0.000 1.258 134 D CA 0.389 54.187 54.000 -0.337 0.000 0.907 134 D CB 1.129 41.850 40.800 -0.133 0.000 1.107 134 D HN 0.464 nan 8.370 nan 0.000 0.495 135 G N 3.876 111.833 108.800 -1.405 0.000 3.181 135 G HA2 -0.132 3.828 3.960 0.000 0.000 0.219 135 G HA3 -0.132 3.828 3.960 0.000 0.000 0.219 135 G C 1.438 175.761 174.900 -0.961 0.000 1.182 135 G CA 0.069 44.522 45.100 -1.079 0.000 0.791 135 G HN 0.613 nan 8.290 nan 0.000 0.537 136 R N -0.828 119.081 120.500 -0.985 0.000 2.120 136 R HA -0.009 4.331 4.340 0.000 0.000 0.234 136 R C 1.462 177.479 176.300 -0.471 0.000 1.123 136 R CA 1.199 56.950 56.100 -0.582 0.000 0.975 136 R CB -0.523 29.457 30.300 -0.534 0.000 0.866 136 R HN 0.312 nan 8.270 nan 0.000 0.446 137 F N 1.185 121.052 119.950 -0.138 0.000 2.179 137 F HA 0.129 4.656 4.527 0.000 0.000 0.292 137 F C 2.193 177.936 175.800 -0.095 0.000 1.089 137 F CA 0.526 58.467 58.000 -0.098 0.000 1.295 137 F CB -0.515 38.418 39.000 -0.113 0.000 1.041 137 F HN -0.138 nan 8.300 nan 0.000 0.487 138 L N -0.217 121.030 121.223 0.039 0.000 2.131 138 L HA -0.166 4.174 4.340 0.000 0.000 0.210 138 L C 2.654 179.526 176.870 0.003 0.000 1.092 138 L CA 1.008 55.830 54.840 -0.029 0.000 0.759 138 L CB -0.863 41.119 42.059 -0.128 0.000 0.903 138 L HN 0.177 nan 8.230 nan 0.000 0.435 139 A N -0.811 122.016 122.820 0.011 0.000 1.855 139 A HA -0.235 4.085 4.320 0.000 0.000 0.215 139 A C 2.282 179.914 177.584 0.080 0.000 1.191 139 A CA 1.453 53.539 52.037 0.081 0.000 0.613 139 A CB -0.544 18.551 19.000 0.158 0.000 0.829 139 A HN 0.353 nan 8.150 nan 0.000 0.442 140 Q N -0.080 119.756 119.800 0.061 0.000 2.020 140 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 140 Q C 2.196 178.234 176.000 0.063 0.000 0.982 140 Q CA 2.239 58.082 55.803 0.068 0.000 0.838 140 Q CB -0.389 28.382 28.738 0.054 0.000 0.899 140 Q HN 0.396 nan 8.270 nan 0.000 0.423 141 V N 1.081 121.030 119.914 0.060 0.000 2.535 141 V HA -0.096 4.024 4.120 0.000 0.000 0.246 141 V C 1.724 177.833 176.094 0.025 0.000 1.045 141 V CA 1.424 63.749 62.300 0.043 0.000 1.058 141 V CB -0.113 31.733 31.823 0.039 0.000 0.689 141 V HN 0.242 nan 8.190 nan 0.000 0.461 142 E N -0.348 119.865 120.200 0.021 0.000 2.481 142 E HA 0.206 4.556 4.350 0.000 0.000 0.198 142 E C 1.739 178.354 176.600 0.026 0.000 1.027 142 E CA 0.728 57.135 56.400 0.013 0.000 0.900 142 E CB 0.677 30.375 29.700 -0.005 0.000 0.993 142 E HN 0.564 nan 8.360 nan 0.000 0.482 143 G N 1.732 110.559 108.800 0.044 0.000 2.155 143 G HA2 -0.331 3.629 3.960 0.000 0.000 0.257 143 G HA3 -0.331 3.629 3.960 0.000 0.000 0.257 143 G C 0.573 175.514 174.900 0.069 0.000 0.983 143 G CA 0.401 45.536 45.100 0.059 0.000 0.676 143 G HN 0.487 nan 8.290 nan 0.000 0.528 144 A N -0.678 122.179 122.820 0.062 0.000 2.407 144 A HA 0.644 4.964 4.320 0.000 0.000 0.248 144 A C 0.569 178.225 177.584 0.121 0.000 1.082 144 A CA 0.321 52.399 52.037 0.069 0.000 0.785 144 A CB 0.995 20.016 19.000 0.035 0.000 1.020 144 A HN 1.121 nan 8.150 nan 0.000 0.489 145 V N 3.120 123.115 119.914 0.134 0.000 2.364 145 V HA 0.360 4.480 4.120 0.000 0.000 0.272 145 V C -0.092 176.129 176.094 0.213 0.000 1.036 145 V CA -0.062 62.348 62.300 0.184 0.000 0.880 145 V CB 0.753 32.675 31.823 0.165 0.000 0.991 145 V HN 0.715 nan 8.190 nan 0.000 0.460 146 L N 6.273 127.677 121.223 0.301 0.000 2.341 146 L HA 0.751 5.091 4.340 0.000 0.000 0.278 146 L C -0.847 176.309 176.870 0.476 0.000 1.005 146 L CA -0.287 54.775 54.840 0.371 0.000 0.818 146 L CB 1.918 44.178 42.059 0.334 0.000 1.259 146 L HN 0.429 nan 8.230 nan 0.000 0.418 147 V N 2.921 123.084 119.914 0.415 0.000 2.680 147 V HA 0.738 4.858 4.120 0.000 0.000 0.309 147 V C -0.532 175.801 176.094 0.398 0.000 1.052 147 V CA -0.447 62.062 62.300 0.348 0.000 0.908 147 V CB 2.060 34.011 31.823 0.215 0.000 1.001 147 V HN 0.848 nan 8.190 nan 0.000 0.431 148 S N 4.764 120.691 115.700 0.378 0.000 2.546 148 S HA 0.870 5.340 4.470 0.000 0.000 0.274 148 S C -0.907 173.828 174.600 0.226 0.000 1.121 148 S CA -0.847 57.567 58.200 0.357 0.000 0.887 148 S CB 2.280 65.815 63.200 0.559 0.000 1.094 148 S HN 0.895 nan 8.310 nan 0.000 0.474 149 M N 1.292 120.985 119.600 0.156 0.000 2.530 149 M HA 0.635 5.115 4.480 0.000 0.000 0.307 149 M C -1.752 174.734 176.300 0.310 0.000 1.161 149 M CA -0.558 54.826 55.300 0.140 0.000 0.903 149 M CB 1.304 33.828 32.600 -0.127 0.000 1.711 149 M HN 0.541 nan 8.290 nan 0.000 0.451 150 N N 3.149 122.104 118.700 0.424 0.000 2.520 150 N HA 0.524 5.264 4.740 0.000 0.000 0.273 150 N C -1.360 174.411 175.510 0.436 0.000 1.155 150 N CA 0.171 53.482 53.050 0.436 0.000 0.967 150 N CB 0.394 39.083 38.487 0.337 0.000 1.092 150 N HN 0.717 nan 8.380 nan 0.000 0.457 151 Y N -1.742 118.721 120.300 0.272 0.000 2.553 151 Y HA 0.557 5.107 4.550 0.000 0.000 0.347 151 Y C -0.170 175.863 175.900 0.222 0.000 1.019 151 Y CA -1.378 56.841 58.100 0.198 0.000 1.032 151 Y CB 0.983 39.494 38.460 0.085 0.000 1.284 151 Y HN 0.198 nan 8.280 nan 0.000 0.466 152 R N 2.293 122.933 120.500 0.235 0.000 2.449 152 R HA 0.417 4.757 4.340 0.000 0.000 0.296 152 R C -0.110 176.361 176.300 0.285 0.000 1.047 152 R CA -0.173 56.028 56.100 0.168 0.000 1.018 152 R CB 0.574 30.944 30.300 0.116 0.000 0.962 152 R HN 0.704 nan 8.270 nan 0.000 0.428 153 V N 0.753 120.848 119.914 0.303 0.000 3.211 153 V HA 0.859 4.979 4.120 0.000 0.000 0.319 153 V C 0.969 177.394 176.094 0.551 0.000 1.096 153 V CA -0.055 62.543 62.300 0.497 0.000 1.029 153 V CB 1.077 33.079 31.823 0.299 0.000 1.137 153 V HN 0.954 nan 8.190 nan 0.000 0.453 154 G N 1.632 110.791 108.800 0.598 0.000 2.564 154 G HA2 -0.307 3.653 3.960 0.000 0.000 0.273 154 G HA3 -0.307 3.653 3.960 0.000 0.000 0.273 154 G C 0.977 176.024 174.900 0.245 0.000 1.242 154 G CA 1.547 46.929 45.100 0.470 0.000 0.951 154 G HN 2.249 nan 8.290 nan 0.000 0.564 155 T N -1.588 112.836 114.554 -0.217 0.000 2.652 155 T HA -0.137 4.213 4.350 0.000 0.000 0.267 155 T C 2.160 176.761 174.700 -0.165 0.000 1.039 155 T CA 2.754 64.506 62.100 -0.581 0.000 1.153 155 T CB -0.558 67.824 68.868 -0.809 0.000 0.863 155 T HN 0.693 nan 8.240 nan 0.000 0.428 156 F N 2.391 122.409 119.950 0.113 0.000 2.184 156 F HA 0.109 4.636 4.527 -0.000 0.000 0.301 156 F C 2.722 178.534 175.800 0.019 0.000 1.076 156 F CA 1.017 59.028 58.000 0.018 0.000 1.295 156 F CB -1.006 37.971 39.000 -0.038 0.000 1.026 156 F HN 0.423 nan 8.300 nan 0.000 0.494 157 G N -2.538 106.361 108.800 0.164 0.000 2.833 157 G HA2 0.090 4.050 3.960 0.000 0.000 0.210 157 G HA3 0.090 4.050 3.960 0.000 0.000 0.210 157 G C 0.854 175.300 174.900 -0.756 0.000 1.139 157 G CA 0.136 45.100 45.100 -0.226 0.000 0.771 157 G HN 0.358 nan 8.290 nan 0.000 0.535 158 F N -0.614 119.425 119.950 0.148 0.000 2.915 158 F HA 0.422 4.949 4.527 0.001 0.000 0.347 158 F C 0.459 176.337 175.800 0.131 0.000 1.104 158 F CA -0.913 57.159 58.000 0.119 0.000 1.126 158 F CB 0.415 39.502 39.000 0.144 0.000 1.145 158 F HN -0.080 nan 8.300 nan 0.000 0.541 159 L N 2.142 123.410 121.223 0.075 0.000 2.455 159 L HA 0.573 4.913 4.340 0.000 0.000 0.272 159 L C -0.108 176.730 176.870 -0.054 0.000 1.174 159 L CA 0.027 54.821 54.840 -0.076 0.000 0.869 159 L CB 0.502 42.234 42.059 -0.545 0.000 1.130 159 L HN 0.112 nan 8.230 nan 0.000 0.474 160 A N 5.997 128.839 122.820 0.036 0.000 2.486 160 A HA 0.672 4.992 4.320 0.000 0.000 0.300 160 A C -1.238 176.333 177.584 -0.023 0.000 1.048 160 A CA -0.602 51.428 52.037 -0.011 0.000 0.696 160 A CB 1.391 20.417 19.000 0.043 0.000 1.278 160 A HN 0.699 nan 8.150 nan 0.000 0.405 161 L N 3.100 124.291 121.223 -0.052 0.000 2.371 161 L HA 0.344 4.684 4.340 0.000 0.000 0.262 161 L C -2.406 174.455 176.870 -0.015 0.000 1.054 161 L CA -1.738 53.081 54.840 -0.034 0.000 0.924 161 L CB 1.368 43.394 42.059 -0.056 0.000 1.295 161 L HN 0.400 nan 8.230 nan 0.000 0.441 162 P HA 0.077 nan 4.420 nan 0.000 0.264 162 P C 1.005 178.309 177.300 0.007 0.000 1.183 162 P CA 0.757 63.862 63.100 0.008 0.000 0.763 162 P CB 0.943 32.650 31.700 0.011 0.000 0.807 163 G N 1.620 110.427 108.800 0.012 0.000 2.284 163 G HA2 -0.249 3.711 3.960 0.000 0.000 0.230 163 G HA3 -0.249 3.711 3.960 0.000 0.000 0.230 163 G C 0.466 175.372 174.900 0.011 0.000 1.021 163 G CA 0.263 45.371 45.100 0.012 0.000 0.619 163 G HN 0.842 nan 8.290 nan 0.000 0.510 164 S N 0.090 115.793 115.700 0.006 0.000 2.600 164 S HA 0.579 5.049 4.470 0.000 0.000 0.265 164 S C 1.272 175.880 174.600 0.014 0.000 1.325 164 S CA 0.571 58.774 58.200 0.005 0.000 1.002 164 S CB 1.851 65.047 63.200 -0.007 0.000 0.921 164 S HN 0.508 nan 8.310 nan 0.000 0.554 165 R N 0.181 120.691 120.500 0.017 0.000 2.100 165 R HA 0.037 4.377 4.340 0.000 0.000 0.220 165 R C 1.071 177.391 176.300 0.033 0.000 1.091 165 R CA 1.193 57.308 56.100 0.025 0.000 0.986 165 R CB -0.228 30.086 30.300 0.024 0.000 0.888 165 R HN 0.822 nan 8.270 nan 0.000 0.444 166 E N -0.776 119.444 120.200 0.032 0.000 2.474 166 E HA 0.156 4.506 4.350 0.000 0.000 0.194 166 E C -0.291 176.349 176.600 0.067 0.000 1.041 166 E CA 0.408 56.840 56.400 0.053 0.000 0.874 166 E CB 1.355 31.086 29.700 0.053 0.000 0.914 166 E HN 0.256 nan 8.360 nan 0.000 0.498 167 A N 0.918 123.751 122.820 0.021 0.000 3.399 167 A HA 0.301 4.621 4.320 0.000 0.000 0.262 167 A C -2.313 175.263 177.584 -0.014 0.000 1.145 167 A CA -0.849 51.181 52.037 -0.011 0.000 0.916 167 A CB 0.396 19.297 19.000 -0.164 0.000 1.360 167 A HN -0.075 nan 8.150 nan 0.000 0.628 168 P HA 0.195 nan 4.420 nan 0.000 0.229 168 P C 0.992 178.306 177.300 0.023 0.000 1.160 168 P CA 1.831 64.945 63.100 0.024 0.000 0.777 168 P CB 0.205 31.929 31.700 0.040 0.000 0.814 169 G N 0.254 109.063 108.800 0.015 0.000 2.746 169 G HA2 -0.189 3.771 3.960 0.000 0.000 0.685 169 G HA3 -0.189 3.771 3.960 0.000 0.000 0.685 169 G C -0.101 174.788 174.900 -0.018 0.000 1.350 169 G CA -0.290 44.821 45.100 0.019 0.000 0.837 169 G HN 0.124 nan 8.290 nan 0.000 0.564 170 N N -2.450 116.232 118.700 -0.031 0.000 2.713 170 N HA -0.289 4.451 4.740 0.000 0.000 0.251 170 N C 1.858 177.198 175.510 -0.283 0.000 1.117 170 N CA 2.391 55.351 53.050 -0.149 0.000 0.770 170 N CB -1.622 36.729 38.487 -0.227 0.000 1.137 170 N HN 1.927 nan 8.380 nan 0.000 0.566 171 V N -2.723 117.033 119.914 -0.264 0.000 2.759 171 V HA 0.033 4.153 4.120 0.000 0.000 0.256 171 V C 2.278 178.234 176.094 -0.230 0.000 1.080 171 V CA 2.158 64.356 62.300 -0.170 0.000 1.101 171 V CB -0.779 31.001 31.823 -0.071 0.000 0.698 171 V HN 0.273 nan 8.190 nan 0.000 0.477 172 G N 0.859 109.316 108.800 -0.571 0.000 2.421 172 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 172 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 172 G C 1.516 176.372 174.900 -0.072 0.000 1.171 172 G CA 1.211 46.104 45.100 -0.346 0.000 0.775 172 G HN 0.534 nan 8.290 nan 0.000 0.543 173 L N 0.048 121.176 121.223 -0.158 0.000 2.079 173 L HA -0.072 4.268 4.340 0.000 0.000 0.210 173 L C 2.884 179.768 176.870 0.023 0.000 1.081 173 L CA 0.660 55.377 54.840 -0.205 0.000 0.752 173 L CB -0.407 41.195 42.059 -0.761 0.000 0.896 173 L HN 0.192 nan 8.230 nan 0.000 0.433 174 L N -0.734 120.502 121.223 0.020 0.000 2.141 174 L HA -0.192 4.148 4.340 0.000 0.000 0.209 174 L C 2.213 179.192 176.870 0.181 0.000 1.094 174 L CA 0.811 55.752 54.840 0.169 0.000 0.763 174 L CB -0.700 41.440 42.059 0.135 0.000 0.908 174 L HN 0.273 nan 8.230 nan 0.000 0.437 175 D N 0.173 120.673 120.400 0.167 0.000 2.104 175 D HA -0.221 4.419 4.640 0.000 0.000 0.194 175 D C 2.285 178.742 176.300 0.261 0.000 0.994 175 D CA 1.281 55.462 54.000 0.302 0.000 0.830 175 D CB -0.191 40.805 40.800 0.326 0.000 0.959 175 D HN 0.412 nan 8.370 nan 0.000 0.452 176 Q N -0.083 119.796 119.800 0.131 0.000 2.084 176 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 176 Q C 2.282 178.264 176.000 -0.030 0.000 0.978 176 Q CA 0.922 56.727 55.803 0.003 0.000 0.844 176 Q CB -0.021 28.718 28.738 0.003 0.000 0.898 176 Q HN 0.206 nan 8.270 nan 0.000 0.426 177 R N 0.620 121.188 120.500 0.115 0.000 2.092 177 R HA -0.137 4.203 4.340 0.000 0.000 0.231 177 R C 2.191 178.525 176.300 0.057 0.000 1.119 177 R CA 0.796 56.936 56.100 0.066 0.000 0.970 177 R CB -0.155 30.291 30.300 0.243 0.000 0.864 177 R HN 0.229 nan 8.270 nan 0.000 0.440 178 L N 0.807 122.104 121.223 0.123 0.000 2.083 178 L HA -0.008 4.332 4.340 0.000 0.000 0.209 178 L C 2.206 179.129 176.870 0.089 0.000 1.083 178 L CA 2.089 57.034 54.840 0.175 0.000 0.752 178 L CB -0.614 41.632 42.059 0.312 0.000 0.899 178 L HN 0.227 nan 8.230 nan 0.000 0.433 179 A N -0.400 122.296 122.820 -0.208 0.000 1.930 179 A HA -0.117 4.203 4.320 0.000 0.000 0.217 179 A C 2.209 179.737 177.584 -0.094 0.000 1.175 179 A CA 1.754 53.503 52.037 -0.480 0.000 0.627 179 A CB -0.819 17.568 19.000 -1.021 0.000 0.815 179 A HN 0.522 nan 8.150 nan 0.000 0.443 180 L N -1.064 120.108 121.223 -0.084 0.000 2.046 180 L HA -0.271 4.069 4.340 0.000 0.000 0.208 180 L C 2.815 179.722 176.870 0.062 0.000 1.077 180 L CA 1.728 56.555 54.840 -0.022 0.000 0.747 180 L CB -0.861 41.137 42.059 -0.101 0.000 0.896 180 L HN 0.458 nan 8.230 nan 0.000 0.432 181 Q N -0.870 118.976 119.800 0.077 0.000 2.084 181 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 181 Q C 2.044 178.123 176.000 0.131 0.000 0.978 181 Q CA 2.116 57.975 55.803 0.094 0.000 0.844 181 Q CB -0.305 28.495 28.738 0.104 0.000 0.898 181 Q HN 0.541 nan 8.270 nan 0.000 0.426 182 W N 0.140 121.443 121.300 0.005 0.000 2.338 182 W HA -0.219 4.441 4.660 -0.000 0.000 0.304 182 W C 1.767 178.301 176.519 0.026 0.000 1.212 182 W CA 1.247 58.611 57.345 0.031 0.000 1.264 182 W CB -0.051 29.425 29.460 0.027 0.000 1.142 182 W HN -0.130 nan 8.180 nan 0.000 0.512 183 V N 0.932 121.048 119.914 0.338 0.000 2.515 183 V HA -0.314 3.806 4.120 0.000 0.000 0.250 183 V C 2.513 178.608 176.094 0.002 0.000 1.058 183 V CA 1.884 64.301 62.300 0.195 0.000 1.064 183 V CB -0.846 31.110 31.823 0.221 0.000 0.675 183 V HN 0.219 nan 8.190 nan 0.000 0.461 184 Q N -0.069 119.738 119.800 0.011 0.000 2.020 184 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 184 Q C 2.284 178.238 176.000 -0.077 0.000 0.982 184 Q CA 2.143 57.940 55.803 -0.010 0.000 0.838 184 Q CB -0.294 28.449 28.738 0.008 0.000 0.899 184 Q HN 0.788 nan 8.270 nan 0.000 0.423 185 E N 0.182 120.299 120.200 -0.139 0.000 2.153 185 E HA -0.154 4.196 4.350 0.000 0.000 0.194 185 E C 0.800 177.235 176.600 -0.275 0.000 0.988 185 E CA 1.502 57.787 56.400 -0.192 0.000 0.811 185 E CB 0.165 29.740 29.700 -0.208 0.000 0.746 185 E HN 0.388 nan 8.360 nan 0.000 0.466 186 N N -1.222 117.212 118.700 -0.443 0.000 2.239 186 N HA 0.085 4.825 4.740 0.000 0.000 0.208 186 N C 1.020 176.406 175.510 -0.206 0.000 1.200 186 N CA -0.070 52.676 53.050 -0.507 0.000 0.895 186 N CB 0.323 38.117 38.487 -1.155 0.000 1.085 186 N HN 0.019 nan 8.380 nan 0.000 0.500 187 I N 1.853 122.342 120.570 -0.136 0.000 2.567 187 I HA -0.068 4.102 4.170 0.000 0.000 0.257 187 I C 2.007 178.226 176.117 0.170 0.000 1.184 187 I CA 0.528 61.886 61.300 0.098 0.000 1.451 187 I CB -0.364 37.683 38.000 0.078 0.000 1.089 187 I HN 0.173 nan 8.210 nan 0.000 0.441 188 A N 0.240 123.089 122.820 0.048 0.000 2.024 188 A HA -0.114 4.206 4.320 0.000 0.000 0.220 188 A C 2.428 180.010 177.584 -0.003 0.000 1.164 188 A CA 1.550 53.601 52.037 0.023 0.000 0.643 188 A CB -1.013 17.974 19.000 -0.021 0.000 0.806 188 A HN 0.468 nan 8.150 nan 0.000 0.451 189 A N -1.851 120.936 122.820 -0.055 0.000 2.168 189 A HA 0.207 4.527 4.320 0.000 0.000 0.215 189 A C 1.429 178.769 177.584 -0.407 0.000 1.152 189 A CA 1.011 52.885 52.037 -0.271 0.000 0.716 189 A CB -0.537 18.195 19.000 -0.446 0.000 0.794 189 A HN 0.495 nan 8.150 nan 0.000 0.465 190 F N -1.905 117.995 119.950 -0.084 0.000 2.706 190 F HA 0.401 4.929 4.527 0.000 0.000 0.308 190 F C 1.707 177.509 175.800 0.003 0.000 1.095 190 F CA 0.383 58.346 58.000 -0.061 0.000 1.244 190 F CB 0.474 39.441 39.000 -0.054 0.000 1.063 190 F HN 0.288 nan 8.300 nan 0.000 0.582 191 G N 0.338 109.226 108.800 0.147 0.000 2.148 191 G HA2 -0.132 3.828 3.960 0.000 0.000 0.203 191 G HA3 -0.132 3.828 3.960 0.000 0.000 0.203 191 G C 0.604 175.569 174.900 0.108 0.000 0.993 191 G CA -0.379 44.780 45.100 0.099 0.000 0.661 191 G HN 0.689 nan 8.290 nan 0.000 0.518 192 G N -0.411 108.472 108.800 0.140 0.000 2.539 192 G HA2 0.464 4.425 3.960 0.000 0.000 0.258 192 G HA3 0.464 4.425 3.960 0.000 0.000 0.258 192 G C -0.659 174.287 174.900 0.075 0.000 1.202 192 G CA 0.432 45.600 45.100 0.114 0.000 0.851 192 G HN 0.281 nan 8.290 nan 0.000 0.556 193 D N 1.298 121.736 120.400 0.063 0.000 2.460 193 D HA 0.347 4.987 4.640 0.000 0.000 0.232 193 D C -1.673 174.662 176.300 0.059 0.000 1.079 193 D CA -2.329 51.694 54.000 0.038 0.000 0.864 193 D CB 1.979 42.787 40.800 0.013 0.000 1.048 193 D HN -0.022 nan 8.370 nan 0.000 0.523 194 P HA -0.019 nan 4.420 nan 0.000 0.225 194 P C 1.225 178.630 177.300 0.174 0.000 1.148 194 P CA 0.915 64.074 63.100 0.099 0.000 0.779 194 P CB 0.082 31.814 31.700 0.054 0.000 0.780 195 M N -2.194 117.454 119.600 0.079 0.000 2.495 195 M HA 0.108 4.588 4.480 0.000 0.000 0.237 195 M C 0.566 176.637 176.300 -0.382 0.000 1.131 195 M CA 0.598 55.882 55.300 -0.027 0.000 1.032 195 M CB 0.132 32.681 32.600 -0.084 0.000 1.513 195 M HN -0.194 nan 8.290 nan 0.000 0.488 196 S N 1.269 116.910 115.700 -0.099 0.000 2.389 196 S HA 0.478 4.948 4.470 0.000 0.000 0.201 196 S C -1.001 173.695 174.600 0.159 0.000 1.422 196 S CA -0.467 57.671 58.200 -0.103 0.000 1.216 196 S CB 0.593 63.729 63.200 -0.107 0.000 1.130 196 S HN 0.032 nan 8.310 nan 0.000 0.465 197 V N 4.067 124.255 119.914 0.456 0.000 2.483 197 V HA 0.558 4.678 4.120 0.000 0.000 0.297 197 V C -0.173 176.103 176.094 0.302 0.000 1.027 197 V CA -0.522 61.968 62.300 0.317 0.000 0.855 197 V CB 2.075 34.056 31.823 0.263 0.000 0.995 197 V HN 0.716 nan 8.190 nan 0.000 0.424 198 T N 6.407 121.092 114.554 0.217 0.000 2.786 198 T HA 0.603 4.953 4.350 0.000 0.000 0.283 198 T C -0.276 174.571 174.700 0.245 0.000 0.992 198 T CA -0.350 61.882 62.100 0.219 0.000 0.954 198 T CB 0.900 69.843 68.868 0.126 0.000 0.934 198 T HN 0.353 nan 8.240 nan 0.000 0.440 199 L N 4.829 126.174 121.223 0.204 0.000 2.349 199 L HA 0.684 5.024 4.340 0.000 0.000 0.275 199 L C -0.375 176.713 176.870 0.363 0.000 1.115 199 L CA -0.760 54.172 54.840 0.152 0.000 0.820 199 L CB 0.233 42.177 42.059 -0.191 0.000 1.135 199 L HN 0.623 nan 8.230 nan 0.000 0.445 200 F N 0.481 120.496 119.950 0.108 0.000 2.601 200 F HA 0.960 5.486 4.527 -0.000 0.000 0.309 200 F C -0.312 175.465 175.800 -0.039 0.000 1.089 200 F CA -1.336 56.769 58.000 0.174 0.000 0.940 200 F CB 1.483 40.731 39.000 0.413 0.000 1.273 200 F HN 0.494 nan 8.300 nan 0.000 0.450 201 G N 1.161 109.790 108.800 -0.284 0.000 2.608 201 G HA2 0.524 4.484 3.960 0.000 0.000 0.291 201 G HA3 0.524 4.484 3.960 0.000 0.000 0.291 201 G C -2.382 172.263 174.900 -0.424 0.000 1.425 201 G CA -0.715 43.805 45.100 -0.967 0.000 0.787 201 G HN 0.880 nan 8.290 nan 0.000 0.484 205 G N 0.594 109.165 108.800 -0.381 0.000 2.414 205 G HA2 0.155 4.116 3.960 0.000 0.000 0.215 205 G HA3 0.155 4.116 3.960 0.000 0.000 0.215 205 G C 1.748 176.464 174.900 -0.307 0.000 1.188 205 G CA 1.841 46.678 45.100 -0.438 0.000 0.783 205 G HN 1.270 nan 8.290 nan 0.000 0.537 206 A N 1.413 124.117 122.820 -0.193 0.000 1.915 206 A HA 0.018 4.338 4.320 0.000 0.000 0.220 206 A C 2.831 180.394 177.584 -0.034 0.000 1.198 206 A CA 2.922 54.923 52.037 -0.059 0.000 0.647 206 A CB -1.022 18.007 19.000 0.049 0.000 0.825 206 A HN 0.966 nan 8.150 nan 0.000 0.456 207 A N -0.920 121.906 122.820 0.010 0.000 1.933 207 A HA -0.045 4.275 4.320 0.000 0.000 0.218 207 A C 2.424 180.002 177.584 -0.010 0.000 1.175 207 A CA 2.064 54.103 52.037 0.003 0.000 0.628 207 A CB -0.830 18.203 19.000 0.054 0.000 0.814 207 A HN 0.504 nan 8.150 nan 0.000 0.444 208 S N -0.419 115.261 115.700 -0.034 0.000 2.382 208 S HA -0.123 4.347 4.470 0.000 0.000 0.228 208 S C 1.847 176.345 174.600 -0.170 0.000 1.027 208 S CA 1.326 59.446 58.200 -0.134 0.000 0.991 208 S CB -0.454 62.611 63.200 -0.225 0.000 0.823 208 S HN 0.335 nan 8.310 nan 0.000 0.469 209 V N 1.827 121.676 119.914 -0.109 0.000 2.343 209 V HA -0.159 3.961 4.120 0.000 0.000 0.247 209 V C 2.623 178.700 176.094 -0.028 0.000 1.051 209 V CA 1.938 64.198 62.300 -0.066 0.000 1.036 209 V CB -1.464 30.316 31.823 -0.070 0.000 0.654 209 V HN 0.595 nan 8.190 nan 0.000 0.451 210 G N -0.921 107.860 108.800 -0.030 0.000 2.440 210 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 210 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 210 G C 1.611 176.524 174.900 0.022 0.000 1.154 210 G CA 1.164 46.259 45.100 -0.008 0.000 0.767 210 G HN 0.457 nan 8.290 nan 0.000 0.552 211 M N -0.362 119.224 119.600 -0.023 0.000 2.349 211 M HA 0.084 4.564 4.480 0.000 0.000 0.266 211 M C 2.256 178.625 176.300 0.115 0.000 1.076 211 M CA 0.596 55.922 55.300 0.043 0.000 1.126 211 M CB -0.086 32.524 32.600 0.016 0.000 1.392 211 M HN 0.193 nan 8.290 nan 0.000 0.440 212 H N 0.158 119.328 119.070 0.168 0.000 2.389 212 H HA -0.024 4.531 4.556 -0.000 0.000 0.299 212 H C 2.102 177.601 175.328 0.286 0.000 1.081 212 H CA 1.407 57.547 56.048 0.152 0.000 1.345 212 H CB -0.362 29.355 29.762 -0.075 0.000 1.393 212 H HN 0.398 nan 8.280 nan 0.000 0.520 213 I N 0.681 121.503 120.570 0.420 0.000 2.264 213 I HA -0.242 3.928 4.170 0.000 0.000 0.248 213 I C 1.864 178.160 176.117 0.298 0.000 1.111 213 I CA 1.151 62.722 61.300 0.452 0.000 1.382 213 I CB -0.170 38.014 38.000 0.307 0.000 1.060 213 I HN 0.139 nan 8.210 nan 0.000 0.418 214 L N -0.609 120.740 121.223 0.210 0.000 2.592 214 L HA 0.102 4.443 4.340 0.000 0.000 0.227 214 L C 0.860 177.766 176.870 0.060 0.000 1.127 214 L CA 0.055 54.990 54.840 0.158 0.000 0.884 214 L CB 0.089 42.225 42.059 0.129 0.000 1.065 214 L HN 0.035 nan 8.230 nan 0.000 0.457 215 S N -0.317 115.386 115.700 0.005 0.000 2.640 215 S HA 0.352 4.822 4.470 0.000 0.000 0.320 215 S C 1.001 175.519 174.600 -0.137 0.000 1.097 215 S CA -0.615 57.466 58.200 -0.198 0.000 1.092 215 S CB 1.114 63.900 63.200 -0.690 0.000 0.988 215 S HN 0.175 nan 8.310 nan 0.000 0.470 216 L N 5.307 126.463 121.223 -0.113 0.000 2.010 216 L HA -0.099 4.241 4.340 0.000 0.000 0.219 216 L C -0.753 176.077 176.870 -0.068 0.000 1.077 216 L CA 1.762 56.557 54.840 -0.074 0.000 0.773 216 L CB -1.183 40.835 42.059 -0.069 0.000 0.892 216 L HN 0.516 nan 8.230 nan 0.000 0.436 217 P HA -0.099 nan 4.420 nan 0.000 0.223 217 P C 1.434 178.727 177.300 -0.012 0.000 1.144 217 P CA 1.124 64.191 63.100 -0.055 0.000 0.783 217 P CB 0.112 31.773 31.700 -0.066 0.000 0.771 218 S N -1.194 114.516 115.700 0.017 0.000 2.478 218 S HA 0.052 4.522 4.470 0.000 0.000 0.222 218 S C 1.807 176.532 174.600 0.208 0.000 1.008 218 S CA 0.228 58.517 58.200 0.149 0.000 0.928 218 S CB -0.254 63.125 63.200 0.299 0.000 0.781 218 S HN 0.047 nan 8.310 nan 0.000 0.518 219 R N 1.985 122.517 120.500 0.053 0.000 2.092 219 R HA 0.013 4.353 4.340 0.000 0.000 0.231 219 R C 2.299 178.419 176.300 -0.299 0.000 1.119 219 R CA 1.384 57.381 56.100 -0.172 0.000 0.970 219 R CB -1.265 28.955 30.300 -0.134 0.000 0.864 219 R HN 0.549 nan 8.270 nan 0.000 0.440 220 S N 0.092 115.705 115.700 -0.146 0.000 2.603 220 S HA 0.047 4.517 4.470 0.000 0.000 0.229 220 S C 1.598 176.115 174.600 -0.139 0.000 0.972 220 S CA 0.374 58.489 58.200 -0.143 0.000 0.935 220 S CB -0.247 62.911 63.200 -0.071 0.000 0.769 220 S HN 0.234 nan 8.310 nan 0.000 0.536 221 L N 0.190 121.365 121.223 -0.079 0.000 2.693 221 L HA 0.500 4.840 4.340 0.000 0.000 0.235 221 L C -0.001 176.905 176.870 0.060 0.000 1.127 221 L CA -0.416 54.435 54.840 0.017 0.000 0.914 221 L CB 0.024 42.136 42.059 0.088 0.000 1.193 221 L HN 0.518 nan 8.230 nan 0.000 0.502 222 F N -4.058 115.679 119.950 -0.355 0.000 2.779 222 F HA 0.443 4.970 4.527 -0.001 0.000 0.316 222 F C 0.169 175.633 175.800 -0.560 0.000 1.164 222 F CA -1.111 56.638 58.000 -0.418 0.000 0.924 222 F CB 0.872 39.789 39.000 -0.139 0.000 1.348 222 F HN -0.134 nan 8.300 nan 0.000 0.467 223 H N -1.163 117.946 119.070 0.065 0.000 2.926 223 H HA 0.521 5.077 4.556 -0.000 0.000 0.249 223 H C -0.144 175.191 175.328 0.012 0.000 0.963 223 H CA -0.134 55.870 56.048 -0.073 0.000 1.158 223 H CB 0.654 30.386 29.762 -0.050 0.000 1.445 223 H HN 0.393 nan 8.280 nan 0.000 0.452 224 R N 0.084 120.754 120.500 0.283 0.000 2.869 224 R HA 0.833 5.173 4.340 0.000 0.000 0.263 224 R C -1.457 175.106 176.300 0.438 0.000 1.066 224 R CA -0.929 55.327 56.100 0.260 0.000 0.960 224 R CB 2.425 32.696 30.300 -0.048 0.000 1.221 224 R HN 0.157 nan 8.270 nan 0.000 0.474 225 A N 0.685 123.780 122.820 0.457 0.000 2.517 225 A HA 0.591 4.911 4.320 0.000 0.000 0.297 225 A C -1.519 176.232 177.584 0.278 0.000 1.050 225 A CA -0.597 51.649 52.037 0.348 0.000 0.694 225 A CB 1.775 20.962 19.000 0.311 0.000 1.277 225 A HN 0.296 nan 8.150 nan 0.000 0.400 226 V N 2.504 122.552 119.914 0.223 0.000 2.409 226 V HA 0.501 4.621 4.120 0.000 0.000 0.291 226 V C -1.031 175.176 176.094 0.187 0.000 1.020 226 V CA -0.397 61.979 62.300 0.127 0.000 0.848 226 V CB 1.227 33.128 31.823 0.129 0.000 0.990 226 V HN 0.686 nan 8.190 nan 0.000 0.430 227 L N 5.425 126.727 121.223 0.132 0.000 2.295 227 L HA 0.510 4.850 4.340 0.000 0.000 0.281 227 L C 0.081 177.075 176.870 0.207 0.000 1.018 227 L CA 0.079 54.995 54.840 0.127 0.000 0.841 227 L CB 1.424 43.512 42.059 0.048 0.000 1.218 227 L HN 0.656 nan 8.230 nan 0.000 0.424 228 Q N 2.109 122.074 119.800 0.276 0.000 2.347 228 Q HA 0.478 4.818 4.340 0.000 0.000 0.262 228 Q C 0.107 176.247 176.000 0.233 0.000 0.980 228 Q CA -0.584 55.438 55.803 0.364 0.000 0.867 228 Q CB 1.250 30.303 28.738 0.524 0.000 1.242 228 Q HN 0.585 nan 8.270 nan 0.000 0.453 229 S N 0.968 116.789 115.700 0.203 0.000 3.631 229 S HA -0.138 4.332 4.470 0.000 0.000 0.366 229 S C 0.067 174.851 174.600 0.306 0.000 0.993 229 S CA 0.499 58.838 58.200 0.232 0.000 1.167 229 S CB -1.318 62.020 63.200 0.229 0.000 0.909 229 S HN 1.042 nan 8.310 nan 0.000 0.478 230 G N -0.397 108.547 108.800 0.240 0.000 2.442 230 G HA2 0.614 4.574 3.960 0.000 0.000 0.296 230 G HA3 0.614 4.574 3.960 0.000 0.000 0.296 230 G C -0.901 174.065 174.900 0.110 0.000 1.564 230 G CA 0.158 45.448 45.100 0.317 0.000 0.828 230 G HN 1.039 nan 8.290 nan 0.000 0.571 231 T N -1.158 113.391 114.554 -0.009 0.000 2.868 231 T HA 0.776 5.126 4.350 0.000 0.000 0.306 231 T C -2.446 172.103 174.700 -0.252 0.000 1.224 231 T CA -1.453 60.570 62.100 -0.128 0.000 1.012 231 T CB 2.958 71.735 68.868 -0.152 0.000 1.221 231 T HN 0.226 nan 8.240 nan 0.000 0.499 232 P HA 0.026 nan 4.420 nan 0.000 0.217 232 P C 0.528 177.667 177.300 -0.269 0.000 1.154 232 P CA 0.614 63.590 63.100 -0.206 0.000 0.841 232 P CB -0.153 31.483 31.700 -0.106 0.000 0.790 233 N N 0.794 119.361 118.700 -0.222 0.000 2.235 233 N HA 0.221 4.961 4.740 0.000 0.000 0.231 233 N C 0.831 176.133 175.510 -0.347 0.000 1.330 233 N CA 0.976 53.892 53.050 -0.224 0.000 0.898 233 N CB -0.564 37.832 38.487 -0.152 0.000 1.151 233 N HN 0.284 nan 8.380 nan 0.000 0.472 234 G N -1.615 107.000 108.800 -0.308 0.000 2.603 234 G HA2 -0.093 3.867 3.960 0.000 0.000 0.686 234 G HA3 -0.093 3.867 3.960 0.000 0.000 0.686 234 G C -2.477 172.175 174.900 -0.413 0.000 1.286 234 G CA -0.245 44.615 45.100 -0.400 0.000 0.871 234 G HN 0.552 nan 8.290 nan 0.000 0.568 235 P HA 0.180 nan 4.420 nan 0.000 0.251 235 P C 1.394 178.620 177.300 -0.124 0.000 1.223 235 P CA 1.592 64.553 63.100 -0.232 0.000 0.796 235 P CB -0.057 31.485 31.700 -0.264 0.000 1.068 236 W N -1.903 119.305 121.300 -0.154 0.000 2.942 236 W HA 0.540 5.199 4.660 -0.001 0.000 0.260 236 W C 1.077 177.661 176.519 0.108 0.000 1.101 236 W CA 0.445 57.774 57.345 -0.027 0.000 1.436 236 W CB -0.836 28.643 29.460 0.033 0.000 0.883 236 W HN -0.178 nan 8.180 nan 0.000 0.646 237 A N 2.042 124.599 122.820 -0.438 0.000 2.066 237 A HA 0.080 4.400 4.320 0.000 0.000 0.218 237 A C 1.188 178.647 177.584 -0.210 0.000 1.157 237 A CA 1.923 53.781 52.037 -0.300 0.000 0.670 237 A CB -0.894 17.675 19.000 -0.717 0.000 0.804 237 A HN 0.276 nan 8.150 nan 0.000 0.453 238 T N -3.269 111.173 114.554 -0.187 0.000 2.883 238 T HA 0.623 4.973 4.350 0.000 0.000 0.296 238 T C -0.677 173.963 174.700 -0.100 0.000 1.117 238 T CA -0.135 61.870 62.100 -0.160 0.000 1.006 238 T CB 1.523 70.304 68.868 -0.145 0.000 1.191 238 T HN 0.912 nan 8.240 nan 0.000 0.508 239 V N -1.136 118.728 119.914 -0.084 0.000 3.007 239 V HA 0.876 4.996 4.120 0.000 0.000 0.311 239 V C 0.348 176.415 176.094 -0.044 0.000 1.120 239 V CA -0.803 61.462 62.300 -0.058 0.000 0.980 239 V CB 1.268 33.057 31.823 -0.057 0.000 1.033 239 V HN 1.402 nan 8.190 nan 0.000 0.429 240 S N 2.375 118.053 115.700 -0.037 0.000 2.580 240 S HA 0.457 4.927 4.470 0.000 0.000 0.266 240 S C 1.443 176.033 174.600 -0.018 0.000 1.354 240 S CA 0.240 58.425 58.200 -0.026 0.000 1.008 240 S CB 1.018 64.204 63.200 -0.024 0.000 0.898 240 S HN 2.049 nan 8.310 nan 0.000 0.555 241 A N 1.904 124.718 122.820 -0.009 0.000 1.930 241 A HA 0.160 4.480 4.320 0.000 0.000 0.217 241 A C 2.194 179.775 177.584 -0.005 0.000 1.175 241 A CA 1.532 53.568 52.037 -0.002 0.000 0.627 241 A CB -1.725 17.277 19.000 0.003 0.000 0.815 241 A HN 1.136 nan 8.150 nan 0.000 0.443 242 G N -0.392 108.402 108.800 -0.010 0.000 2.402 242 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 242 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 242 G C 1.458 176.349 174.900 -0.015 0.000 1.162 242 G CA 1.272 46.366 45.100 -0.011 0.000 0.777 242 G HN 0.560 nan 8.290 nan 0.000 0.539 243 E N 1.247 121.434 120.200 -0.022 0.000 2.077 243 E HA 0.032 4.383 4.350 0.000 0.000 0.193 243 E C 2.650 179.226 176.600 -0.040 0.000 0.989 243 E CA 1.518 57.897 56.400 -0.034 0.000 0.800 243 E CB -0.636 29.040 29.700 -0.040 0.000 0.746 243 E HN 0.256 nan 8.360 nan 0.000 0.452 244 A N 0.958 123.762 122.820 -0.027 0.000 1.902 244 A HA -0.206 4.114 4.320 0.000 0.000 0.217 244 A C 2.322 179.916 177.584 0.016 0.000 1.181 244 A CA 1.909 53.942 52.037 -0.006 0.000 0.623 244 A CB -0.682 18.331 19.000 0.022 0.000 0.818 244 A HN 0.306 nan 8.150 nan 0.000 0.443 245 R N -0.477 120.027 120.500 0.006 0.000 2.081 245 R HA -0.130 4.210 4.340 0.000 0.000 0.235 245 R C 2.426 178.730 176.300 0.006 0.000 1.131 245 R CA 1.629 57.733 56.100 0.006 0.000 0.960 245 R CB -0.313 29.986 30.300 -0.001 0.000 0.856 245 R HN 0.527 nan 8.270 nan 0.000 0.436 246 R N 0.456 120.953 120.500 -0.004 0.000 2.075 246 R HA -0.088 4.252 4.340 0.000 0.000 0.232 246 R C 2.116 178.415 176.300 -0.002 0.000 1.126 246 R CA 1.496 57.592 56.100 -0.006 0.000 0.963 246 R CB -0.090 30.202 30.300 -0.015 0.000 0.858 246 R HN 0.250 nan 8.270 nan 0.000 0.435 247 R N -0.031 120.454 120.500 -0.025 0.000 2.092 247 R HA -0.036 4.304 4.340 0.000 0.000 0.231 247 R C 2.347 178.709 176.300 0.105 0.000 1.119 247 R CA 1.294 57.366 56.100 -0.047 0.000 0.970 247 R CB -0.301 29.839 30.300 -0.268 0.000 0.864 247 R HN 0.250 nan 8.270 nan 0.000 0.440 248 A N 0.359 123.270 122.820 0.153 0.000 1.933 248 A HA -0.147 4.173 4.320 0.000 0.000 0.218 248 A C 2.101 179.726 177.584 0.069 0.000 1.175 248 A CA 1.871 54.011 52.037 0.172 0.000 0.628 248 A CB -0.667 18.372 19.000 0.066 0.000 0.814 248 A HN 0.255 nan 8.150 nan 0.000 0.444 249 T N -0.063 114.515 114.554 0.040 0.000 2.812 249 T HA -0.078 4.272 4.350 0.000 0.000 0.264 249 T C 1.830 176.547 174.700 0.028 0.000 1.042 249 T CA 1.332 63.441 62.100 0.016 0.000 1.140 249 T CB -0.318 68.555 68.868 0.007 0.000 0.870 249 T HN 0.291 nan 8.240 nan 0.000 0.445 250 L N 1.464 122.714 121.223 0.044 0.000 2.046 250 L HA 0.067 4.407 4.340 0.000 0.000 0.208 250 L C 2.180 179.094 176.870 0.074 0.000 1.077 250 L CA 1.514 56.385 54.840 0.052 0.000 0.747 250 L CB -1.088 41.003 42.059 0.053 0.000 0.896 250 L HN 0.226 nan 8.230 nan 0.000 0.432 251 L N -0.170 121.124 121.223 0.119 0.000 2.046 251 L HA -0.090 4.250 4.340 0.000 0.000 0.208 251 L C 2.509 179.403 176.870 0.041 0.000 1.077 251 L CA 2.036 56.957 54.840 0.135 0.000 0.747 251 L CB -0.928 41.280 42.059 0.248 0.000 0.896 251 L HN 0.270 nan 8.230 nan 0.000 0.432 252 A N -0.049 122.780 122.820 0.015 0.000 1.873 252 A HA -0.295 4.025 4.320 0.000 0.000 0.218 252 A C 2.424 179.996 177.584 -0.021 0.000 1.193 252 A CA 2.245 54.272 52.037 -0.017 0.000 0.629 252 A CB -0.750 18.235 19.000 -0.025 0.000 0.826 252 A HN 0.534 nan 8.150 nan 0.000 0.447 253 R N -0.765 119.731 120.500 -0.007 0.000 2.096 253 R HA -0.152 4.188 4.340 0.000 0.000 0.240 253 R C 2.072 178.354 176.300 -0.031 0.000 1.139 253 R CA 1.755 57.849 56.100 -0.010 0.000 0.952 253 R CB -0.666 29.637 30.300 0.004 0.000 0.854 253 R HN 0.566 nan 8.270 nan 0.000 0.436 254 L N 0.664 121.867 121.223 -0.034 0.000 2.265 254 L HA -0.113 4.227 4.340 0.000 0.000 0.215 254 L C 1.990 178.692 176.870 -0.280 0.000 1.117 254 L CA 0.735 55.520 54.840 -0.091 0.000 0.782 254 L CB -0.176 41.881 42.059 -0.003 0.000 0.914 254 L HN 0.192 nan 8.230 nan 0.000 0.441 255 V N -4.338 115.449 119.914 -0.212 0.000 3.427 255 V HA 0.547 4.667 4.120 0.000 0.000 0.305 255 V C 0.859 176.902 176.094 -0.086 0.000 1.412 255 V CA 0.150 62.328 62.300 -0.202 0.000 1.086 255 V CB 0.026 31.757 31.823 -0.154 0.000 0.964 255 V HN 0.343 nan 8.190 nan 0.000 0.439 256 G N -0.255 108.509 108.800 -0.060 0.000 2.683 256 G HA2 -0.134 3.826 3.960 0.000 0.000 0.234 256 G HA3 -0.134 3.826 3.960 0.000 0.000 0.234 256 G C -0.304 174.586 174.900 -0.016 0.000 1.135 256 G CA -0.160 44.923 45.100 -0.028 0.000 0.975 256 G HN 0.780 nan 8.290 nan 0.000 0.511 266 D N 1.539 121.934 120.400 -0.008 0.000 2.117 266 D HA -0.060 4.580 4.640 0.000 0.000 0.198 266 D C 1.382 177.675 176.300 -0.012 0.000 0.982 266 D CA 1.674 55.665 54.000 -0.015 0.000 0.828 266 D CB 0.061 40.851 40.800 -0.017 0.000 0.967 266 D HN 0.622 nan 8.370 nan 0.000 0.464 267 T N 0.940 115.493 114.554 -0.002 0.000 2.635 267 T HA -0.223 4.127 4.350 0.000 0.000 0.267 267 T C 1.781 176.487 174.700 0.010 0.000 1.040 267 T CA 1.703 63.807 62.100 0.007 0.000 1.156 267 T CB -0.255 68.619 68.868 0.010 0.000 0.863 267 T HN 0.380 nan 8.240 nan 0.000 0.430 268 E N 0.705 120.909 120.200 0.006 0.000 2.150 268 E HA -0.076 4.274 4.350 0.000 0.000 0.193 268 E C 2.305 178.908 176.600 0.006 0.000 0.985 268 E CA 0.655 57.060 56.400 0.008 0.000 0.814 268 E CB -0.264 29.440 29.700 0.006 0.000 0.752 268 E HN 0.505 nan 8.360 nan 0.000 0.466 269 L N 0.530 121.751 121.223 -0.004 0.000 2.093 269 L HA -0.101 4.239 4.340 0.000 0.000 0.208 269 L C 2.289 179.150 176.870 -0.015 0.000 1.085 269 L CA 1.003 55.835 54.840 -0.012 0.000 0.755 269 L CB -0.065 41.979 42.059 -0.025 0.000 0.904 269 L HN 0.194 nan 8.230 nan 0.000 0.435 270 I N -0.266 120.295 120.570 -0.015 0.000 2.286 270 I HA -0.203 3.967 4.170 0.000 0.000 0.245 270 I C 2.761 178.924 176.117 0.077 0.000 1.104 270 I CA 0.965 62.264 61.300 -0.002 0.000 1.397 270 I CB -0.552 37.442 38.000 -0.009 0.000 1.072 270 I HN 0.292 nan 8.210 nan 0.000 0.417 271 A N 0.012 122.866 122.820 0.057 0.000 1.903 271 A HA -0.369 3.951 4.320 0.000 0.000 0.219 271 A C 2.553 180.172 177.584 0.059 0.000 1.191 271 A CA 2.385 54.457 52.037 0.059 0.000 0.638 271 A CB -1.548 17.474 19.000 0.037 0.000 0.823 271 A HN 0.655 nan 8.150 nan 0.000 0.451 272 c N -0.601 118.025 118.600 0.043 0.000 2.453 272 c HA -0.011 4.559 4.570 0.000 0.000 0.277 272 c C 2.577 176.702 174.090 0.058 0.000 1.262 272 c CA 1.091 57.443 56.329 0.037 0.000 1.718 272 c CB -1.633 40.889 42.510 0.019 0.000 2.031 272 c HN 0.596 nan 8.230 nan 0.000 0.480 273 L N 0.452 121.722 121.223 0.078 0.000 2.089 273 L HA -0.210 4.130 4.340 0.000 0.000 0.213 273 L C 2.952 179.943 176.870 0.202 0.000 1.079 273 L CA 1.854 56.782 54.840 0.147 0.000 0.758 273 L CB -0.682 41.472 42.059 0.159 0.000 0.891 273 L HN 0.419 nan 8.230 nan 0.000 0.433 274 R N -0.778 119.835 120.500 0.188 0.000 2.280 274 R HA -0.086 4.255 4.340 0.000 0.000 0.207 274 R C 2.081 178.403 176.300 0.036 0.000 1.043 274 R CA 1.477 57.633 56.100 0.095 0.000 1.006 274 R CB -0.181 30.170 30.300 0.084 0.000 0.885 274 R HN 0.531 nan 8.270 nan 0.000 0.467 275 T N -2.115 112.465 114.554 0.043 0.000 3.044 275 T HA 0.140 4.490 4.350 0.000 0.000 0.250 275 T C 0.904 175.616 174.700 0.020 0.000 1.081 275 T CA -0.306 61.809 62.100 0.023 0.000 1.040 275 T CB 0.239 69.120 68.868 0.023 0.000 0.962 275 T HN -0.157 nan 8.240 nan 0.000 0.506 276 R N 3.086 123.604 120.500 0.031 0.000 2.489 276 R HA 0.318 4.658 4.340 0.000 0.000 0.287 276 R C -2.629 173.682 176.300 0.018 0.000 1.053 276 R CA -2.385 53.731 56.100 0.028 0.000 1.036 276 R CB -0.322 29.999 30.300 0.036 0.000 0.966 276 R HN 0.300 nan 8.270 nan 0.000 0.432 277 P HA -0.035 nan 4.420 nan 0.000 0.265 277 P C 0.311 177.595 177.300 -0.026 0.000 1.187 277 P CA 0.216 63.307 63.100 -0.014 0.000 0.766 277 P CB 0.530 32.235 31.700 0.009 0.000 0.820 278 A N 2.920 125.655 122.820 -0.142 0.000 1.917 278 A HA -0.293 4.028 4.320 0.000 0.000 0.219 278 A C 2.186 179.719 177.584 -0.084 0.000 1.182 278 A CA 2.037 53.965 52.037 -0.182 0.000 0.633 278 A CB -1.260 17.137 19.000 -1.005 0.000 0.819 278 A HN 0.543 nan 8.150 nan 0.000 0.448 279 Q N 0.083 119.810 119.800 -0.121 0.000 2.124 279 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 279 Q C 1.294 177.405 176.000 0.185 0.000 0.977 279 Q CA 2.028 57.911 55.803 0.135 0.000 0.850 279 Q CB -0.357 28.489 28.738 0.181 0.000 0.901 279 Q HN 0.651 nan 8.270 nan 0.000 0.429 280 D N -0.468 120.023 120.400 0.151 0.000 2.144 280 D HA -0.140 4.500 4.640 0.000 0.000 0.199 280 D C 1.762 178.221 176.300 0.264 0.000 0.984 280 D CA 1.008 55.138 54.000 0.216 0.000 0.834 280 D CB -0.107 40.776 40.800 0.139 0.000 0.955 280 D HN 0.336 nan 8.370 nan 0.000 0.465 281 L N 0.120 121.439 121.223 0.160 0.000 2.056 281 L HA -0.106 4.234 4.340 0.000 0.000 0.207 281 L C 2.542 179.510 176.870 0.165 0.000 1.078 281 L CA 0.567 55.462 54.840 0.091 0.000 0.749 281 L CB -0.558 41.427 42.059 -0.124 0.000 0.901 281 L HN -0.069 nan 8.230 nan 0.000 0.433 282 V N -0.002 120.071 119.914 0.265 0.000 2.343 282 V HA -0.275 3.845 4.120 0.000 0.000 0.247 282 V C 1.886 178.153 176.094 0.289 0.000 1.051 282 V CA 1.840 64.346 62.300 0.344 0.000 1.036 282 V CB -0.556 31.553 31.823 0.476 0.000 0.654 282 V HN 0.429 nan 8.190 nan 0.000 0.451 283 D N -1.228 119.314 120.400 0.237 0.000 2.384 283 D HA -0.110 4.530 4.640 0.000 0.000 0.222 283 D C 1.584 177.755 176.300 -0.216 0.000 0.976 283 D CA 1.180 55.228 54.000 0.081 0.000 0.915 283 D CB -0.089 40.736 40.800 0.041 0.000 0.896 283 D HN 0.640 nan 8.370 nan 0.000 0.523 284 H N -1.310 117.773 119.070 0.022 0.000 3.440 284 H HA 0.081 4.637 4.556 0.000 0.000 0.259 284 H C 1.707 176.998 175.328 -0.063 0.000 1.120 284 H CA 0.144 56.140 56.048 -0.086 0.000 1.191 284 H CB 0.580 30.390 29.762 0.080 0.000 1.537 284 H HN 0.152 nan 8.280 nan 0.000 0.547 285 E N 0.474 120.773 120.200 0.164 0.000 2.118 285 E HA -0.258 4.092 4.350 0.000 0.000 0.195 285 E C 1.349 178.104 176.600 0.259 0.000 0.992 285 E CA 1.184 57.766 56.400 0.304 0.000 0.804 285 E CB -0.364 29.523 29.700 0.312 0.000 0.741 285 E HN 0.441 nan 8.360 nan 0.000 0.458 286 W N 2.171 123.361 121.300 -0.183 0.000 2.699 286 W HA 0.007 4.667 4.660 0.000 0.000 0.249 286 W C 0.987 177.461 176.519 -0.074 0.000 1.280 286 W CA 0.879 58.095 57.345 -0.216 0.000 1.345 286 W CB -0.384 28.848 29.460 -0.379 0.000 1.128 286 W HN 0.293 nan 8.180 nan 0.000 0.642 287 H N -1.232 117.928 119.070 0.151 0.000 2.548 287 H HA -0.046 4.510 4.556 0.000 0.000 0.268 287 H C 2.069 177.424 175.328 0.045 0.000 0.975 287 H CA 1.060 57.129 56.048 0.035 0.000 1.195 287 H CB 0.064 29.866 29.762 0.066 0.000 1.397 287 H HN 0.015 nan 8.280 nan 0.000 0.572 288 V N -0.675 119.344 119.914 0.174 0.000 3.630 288 V HA 0.101 4.221 4.120 0.000 0.000 0.273 288 V C 0.600 176.698 176.094 0.007 0.000 1.248 288 V CA 0.101 62.446 62.300 0.075 0.000 1.170 288 V CB -0.961 30.885 31.823 0.039 0.000 0.899 288 V HN 0.162 nan 8.190 nan 0.000 0.457 289 L N 1.394 122.640 121.223 0.038 0.000 2.456 289 L HA 0.246 4.586 4.340 0.000 0.000 0.272 289 L C -0.679 176.189 176.870 -0.003 0.000 1.189 289 L CA -1.067 53.780 54.840 0.012 0.000 0.846 289 L CB 0.881 42.976 42.059 0.060 0.000 1.111 289 L HN 0.160 nan 8.230 nan 0.000 0.475 290 P HA -0.030 nan 4.420 nan 0.000 0.218 290 P C -0.597 176.694 177.300 -0.015 0.000 1.152 290 P CA 0.906 63.996 63.100 -0.017 0.000 0.826 290 P CB 0.421 32.109 31.700 -0.021 0.000 0.790 291 Q N -1.248 118.545 119.800 -0.012 0.000 2.458 291 Q HA 0.347 4.687 4.340 0.000 0.000 0.282 291 Q C -0.544 175.448 176.000 -0.013 0.000 1.106 291 Q CA -0.804 54.991 55.803 -0.012 0.000 0.814 291 Q CB 1.180 29.914 28.738 -0.007 0.000 1.425 291 Q HN -0.054 nan 8.270 nan 0.000 0.437 292 E N 0.911 121.100 120.200 -0.017 0.000 2.366 292 E HA 0.309 4.659 4.350 0.000 0.000 0.266 292 E C -1.027 175.576 176.600 0.005 0.000 1.015 292 E CA 0.030 56.420 56.400 -0.017 0.000 0.906 292 E CB 0.361 30.049 29.700 -0.020 0.000 0.979 292 E HN 0.605 nan 8.360 nan 0.000 0.443 293 S N 3.813 119.528 115.700 0.025 0.000 2.625 293 S HA 0.622 5.092 4.470 0.000 0.000 0.271 293 S C -0.401 174.233 174.600 0.057 0.000 1.161 293 S CA -1.072 57.145 58.200 0.028 0.000 0.820 293 S CB 0.794 63.995 63.200 0.003 0.000 1.137 293 S HN 0.545 nan 8.310 nan 0.000 0.470 294 I N -2.561 118.032 120.570 0.038 0.000 2.693 294 I HA 0.794 4.964 4.170 0.000 0.000 0.303 294 I C -0.358 175.731 176.117 -0.046 0.000 1.025 294 I CA -1.091 60.237 61.300 0.047 0.000 1.086 294 I CB 1.088 39.160 38.000 0.120 0.000 1.268 294 I HN 0.747 nan 8.210 nan 0.000 0.440 295 F N 2.127 121.850 119.950 -0.378 0.000 3.080 295 F HA -0.176 4.351 4.527 0.000 0.000 0.292 295 F C -0.330 174.885 175.800 -0.975 0.000 0.891 295 F CA 0.597 58.128 58.000 -0.783 0.000 1.086 295 F CB -0.614 37.886 39.000 -0.834 0.000 1.095 295 F HN 0.617 nan 8.300 nan 0.000 0.633 296 R N 0.397 120.375 120.500 -0.871 0.000 2.621 296 R HA 0.644 4.984 4.340 0.000 0.000 0.284 296 R C -1.033 174.733 176.300 -0.891 0.000 0.998 296 R CA -0.563 55.110 56.100 -0.711 0.000 0.895 296 R CB 1.460 31.622 30.300 -0.230 0.000 1.195 296 R HN -0.003 nan 8.270 nan 0.000 0.450 297 F N -0.701 119.301 119.950 0.086 0.000 2.551 297 F HA 0.353 4.879 4.527 -0.001 0.000 0.316 297 F C 1.534 177.329 175.800 -0.007 0.000 1.089 297 F CA -0.822 57.196 58.000 0.031 0.000 0.915 297 F CB 1.896 40.996 39.000 0.167 0.000 1.186 297 F HN 0.354 nan 8.300 nan 0.000 0.456 298 S N 0.831 116.591 115.700 0.099 0.000 2.368 298 S HA -0.009 4.461 4.470 0.000 0.000 0.225 298 S C -0.091 174.206 174.600 -0.504 0.000 1.030 298 S CA 1.254 59.340 58.200 -0.190 0.000 0.999 298 S CB -0.213 62.926 63.200 -0.102 0.000 0.844 298 S HN 0.364 nan 8.310 nan 0.000 0.459 299 F N 0.988 121.034 119.950 0.161 0.000 2.577 299 F HA 0.521 5.048 4.527 0.000 0.000 0.344 299 F C -0.112 175.709 175.800 0.036 0.000 1.145 299 F CA -0.983 57.103 58.000 0.144 0.000 0.996 299 F CB 1.486 40.610 39.000 0.207 0.000 1.248 299 F HN -0.121 nan 8.300 nan 0.000 0.447 300 V N 0.670 120.573 119.914 -0.017 0.000 3.167 300 V HA 0.778 4.898 4.120 0.000 0.000 0.310 300 V C -2.925 172.870 176.094 -0.497 0.000 1.207 300 V CA -3.343 58.615 62.300 -0.570 0.000 1.059 300 V CB 2.102 33.738 31.823 -0.312 0.000 1.079 300 V HN 0.253 nan 8.190 nan 0.000 0.446 301 P HA 0.138 nan 4.420 nan 0.000 0.261 301 P C -0.487 176.718 177.300 -0.159 0.000 1.183 301 P CA 0.535 63.443 63.100 -0.321 0.000 0.761 301 P CB 0.542 31.980 31.700 -0.437 0.000 0.785 302 V N 5.733 125.622 119.914 -0.041 0.000 2.567 302 V HA 0.143 4.263 4.120 0.000 0.000 0.289 302 V C 0.038 176.125 176.094 -0.012 0.000 1.049 302 V CA -0.635 61.652 62.300 -0.020 0.000 0.969 302 V CB 1.483 33.318 31.823 0.020 0.000 0.995 302 V HN 0.158 nan 8.190 nan 0.000 0.471 303 V N 7.862 127.767 119.914 -0.014 0.000 2.382 303 V HA 0.098 4.218 4.120 0.000 0.000 0.250 303 V C 0.921 177.028 176.094 0.022 0.000 1.069 303 V CA 0.542 62.846 62.300 0.007 0.000 1.130 303 V CB -0.194 31.625 31.823 -0.006 0.000 1.165 303 V HN 1.088 nan 8.190 nan 0.000 0.483 304 D N 2.625 123.052 120.400 0.046 0.000 2.354 304 D HA 0.088 4.728 4.640 0.000 0.000 0.209 304 D C 1.525 177.852 176.300 0.046 0.000 1.015 304 D CA 0.659 54.688 54.000 0.049 0.000 0.867 304 D CB 0.146 40.987 40.800 0.069 0.000 0.933 304 D HN 0.676 nan 8.370 nan 0.000 0.520 305 G N 0.703 109.531 108.800 0.046 0.000 2.221 305 G HA2 -0.296 3.664 3.960 0.000 0.000 0.265 305 G HA3 -0.296 3.664 3.960 0.000 0.000 0.265 305 G C 0.173 175.100 174.900 0.045 0.000 1.041 305 G CA 0.759 45.881 45.100 0.037 0.000 0.807 305 G HN 0.548 nan 8.290 nan 0.000 0.502 306 D N -1.957 118.487 120.400 0.073 0.000 2.797 306 D HA 0.148 4.788 4.640 0.000 0.000 0.151 306 D C 1.581 177.942 176.300 0.101 0.000 1.472 306 D CA 0.409 54.457 54.000 0.080 0.000 1.553 306 D CB -0.761 40.096 40.800 0.095 0.000 1.590 306 D HN 0.093 nan 8.370 nan 0.000 0.217 307 F N 1.429 121.392 119.950 0.023 0.000 2.126 307 F HA 0.200 4.726 4.527 -0.000 0.000 0.299 307 F C 0.584 176.395 175.800 0.018 0.000 1.096 307 F CA 1.241 59.257 58.000 0.027 0.000 1.255 307 F CB 0.200 39.215 39.000 0.025 0.000 0.997 307 F HN -0.012 nan 8.300 nan 0.000 0.479 308 L N 0.715 122.100 121.223 0.270 0.000 2.295 308 L HA 0.196 4.536 4.340 0.000 0.000 0.281 308 L C 1.420 178.335 176.870 0.075 0.000 1.018 308 L CA -0.239 54.692 54.840 0.152 0.000 0.841 308 L CB 1.439 43.587 42.059 0.149 0.000 1.218 308 L HN 0.072 nan 8.230 nan 0.000 0.424 309 S N 0.958 116.680 115.700 0.038 0.000 2.368 309 S HA -0.081 4.389 4.470 0.000 0.000 0.225 309 S C 0.561 175.173 174.600 0.020 0.000 1.030 309 S CA 0.841 59.053 58.200 0.021 0.000 0.999 309 S CB 0.175 63.377 63.200 0.003 0.000 0.844 309 S HN 0.708 nan 8.310 nan 0.000 0.459 310 D N 0.175 120.587 120.400 0.021 0.000 2.837 310 D HA 0.356 4.996 4.640 0.000 0.000 0.294 310 D C -0.596 175.711 176.300 0.012 0.000 1.158 310 D CA 0.062 54.070 54.000 0.013 0.000 1.073 310 D CB 1.554 42.359 40.800 0.009 0.000 1.419 310 D HN 0.308 nan 8.370 nan 0.000 0.584 311 T N -1.241 113.313 114.554 0.001 0.000 2.900 311 T HA 0.257 4.607 4.350 0.000 0.000 0.307 311 T C -1.840 172.856 174.700 -0.008 0.000 1.065 311 T CA -0.831 61.262 62.100 -0.012 0.000 1.105 311 T CB 1.168 70.021 68.868 -0.024 0.000 0.979 311 T HN 0.081 nan 8.240 nan 0.000 0.544 312 P HA -0.094 nan 4.420 nan 0.000 0.216 312 P C 1.397 178.687 177.300 -0.018 0.000 1.153 312 P CA 1.098 64.183 63.100 -0.024 0.000 0.858 312 P CB 0.059 31.714 31.700 -0.074 0.000 0.789 313 E N -0.505 119.674 120.200 -0.034 0.000 2.058 313 E HA -0.177 4.173 4.350 0.000 0.000 0.194 313 E C 2.142 178.745 176.600 0.005 0.000 0.997 313 E CA 1.709 58.095 56.400 -0.023 0.000 0.801 313 E CB -1.131 28.549 29.700 -0.034 0.000 0.746 313 E HN 0.126 nan 8.360 nan 0.000 0.450 314 A N 0.392 123.215 122.820 0.006 0.000 1.902 314 A HA -0.162 4.158 4.320 0.000 0.000 0.217 314 A C 2.197 179.804 177.584 0.038 0.000 1.181 314 A CA 1.289 53.336 52.037 0.016 0.000 0.623 314 A CB -0.663 18.342 19.000 0.008 0.000 0.818 314 A HN 0.207 nan 8.150 nan 0.000 0.443 315 L N -0.122 121.131 121.223 0.049 0.000 2.156 315 L HA -0.099 4.241 4.340 0.000 0.000 0.208 315 L C 2.556 179.531 176.870 0.175 0.000 1.095 315 L CA 1.375 56.266 54.840 0.085 0.000 0.770 315 L CB -0.588 41.522 42.059 0.085 0.000 0.914 315 L HN 0.674 nan 8.230 nan 0.000 0.439 316 I N -3.006 117.660 120.570 0.159 0.000 2.617 316 I HA -0.101 4.069 4.170 0.000 0.000 0.256 316 I C 1.666 177.908 176.117 0.209 0.000 1.167 316 I CA 1.199 62.629 61.300 0.217 0.000 1.469 316 I CB -0.378 37.648 38.000 0.043 0.000 1.098 316 I HN 0.135 nan 8.210 nan 0.000 0.436 317 N N 1.118 119.889 118.700 0.118 0.000 2.550 317 N HA -0.073 4.667 4.740 0.000 0.000 0.186 317 N C 1.616 177.177 175.510 0.085 0.000 1.110 317 N CA 1.695 54.798 53.050 0.088 0.000 0.912 317 N CB 0.017 38.533 38.487 0.048 0.000 0.968 317 N HN 0.755 nan 8.380 nan 0.000 0.448 318 T N -4.865 109.742 114.554 0.087 0.000 3.232 318 T HA 0.237 4.587 4.350 0.000 0.000 0.259 318 T C 1.221 175.896 174.700 -0.041 0.000 0.987 318 T CA 0.202 62.318 62.100 0.026 0.000 1.096 318 T CB -0.734 68.134 68.868 0.002 0.000 1.131 318 T HN 0.006 nan 8.240 nan 0.000 0.445 319 G N 1.651 110.390 108.800 -0.102 0.000 2.905 319 G HA2 0.250 4.210 3.960 0.000 0.000 0.233 319 G HA3 0.250 4.210 3.960 0.000 0.000 0.233 319 G C -0.676 173.786 174.900 -0.730 0.000 1.243 319 G CA 0.182 45.016 45.100 -0.443 0.000 0.856 319 G HN 0.595 nan 8.290 nan 0.000 0.594 320 D N -0.666 119.280 120.400 -0.757 0.000 2.193 320 D HA 0.491 5.131 4.640 0.000 0.000 0.244 320 D C -0.248 175.610 176.300 -0.738 0.000 1.064 320 D CA -0.527 53.144 54.000 -0.547 0.000 0.845 320 D CB 0.659 41.298 40.800 -0.268 0.000 1.148 320 D HN 0.127 nan 8.370 nan 0.000 0.464 321 F N 1.907 121.861 119.950 0.006 0.000 2.835 321 F HA 0.172 4.699 4.527 0.001 0.000 0.342 321 F C 1.726 177.533 175.800 0.010 0.000 1.202 321 F CA -0.463 57.543 58.000 0.010 0.000 1.240 321 F CB 0.423 39.438 39.000 0.025 0.000 1.005 321 F HN 0.308 nan 8.300 nan 0.000 0.507 322 Q N 0.168 120.025 119.800 0.094 0.000 2.096 322 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 322 Q C 1.221 177.260 176.000 0.065 0.000 0.982 322 Q CA 1.866 57.710 55.803 0.067 0.000 0.850 322 Q CB -0.237 28.514 28.738 0.021 0.000 0.901 322 Q HN 0.384 nan 8.270 nan 0.000 0.422 323 D N -0.099 120.332 120.400 0.051 0.000 2.371 323 D HA -0.023 4.617 4.640 0.000 0.000 0.221 323 D C -0.392 175.939 176.300 0.052 0.000 0.986 323 D CA 0.096 54.115 54.000 0.032 0.000 0.899 323 D CB 0.140 40.940 40.800 -0.001 0.000 0.902 323 D HN -0.061 nan 8.370 nan 0.000 0.530 324 L N 1.010 122.293 121.223 0.099 0.000 2.295 324 L HA 0.420 4.760 4.340 0.000 0.000 0.285 324 L C -0.976 175.973 176.870 0.132 0.000 1.035 324 L CA -0.393 54.518 54.840 0.118 0.000 0.806 324 L CB 1.627 43.790 42.059 0.172 0.000 1.214 324 L HN -0.171 nan 8.230 nan 0.000 0.426 325 Q N 3.330 123.222 119.800 0.154 0.000 2.312 325 Q HA 0.792 5.132 4.340 0.000 0.000 0.263 325 Q C -1.381 174.891 176.000 0.453 0.000 0.995 325 Q CA -0.514 55.445 55.803 0.261 0.000 0.853 325 Q CB 2.647 31.510 28.738 0.208 0.000 1.300 325 Q HN 0.430 nan 8.270 nan 0.000 0.448 326 V N 2.393 122.555 119.914 0.413 0.000 2.808 326 V HA 0.476 4.596 4.120 0.000 0.000 0.308 326 V C -1.611 174.430 176.094 -0.090 0.000 1.099 326 V CA -0.827 61.603 62.300 0.216 0.000 0.920 326 V CB 2.102 33.971 31.823 0.076 0.000 1.014 326 V HN 0.625 nan 8.190 nan 0.000 0.425 327 L N 7.071 128.028 121.223 -0.444 0.000 2.333 327 L HA 0.921 5.261 4.340 0.000 0.000 0.280 327 L C -0.522 176.252 176.870 -0.159 0.000 1.004 327 L CA -0.209 54.307 54.840 -0.539 0.000 0.820 327 L CB 1.676 42.973 42.059 -1.270 0.000 1.247 327 L HN 0.612 nan 8.230 nan 0.000 0.416 328 V N 2.099 122.011 119.914 -0.004 0.000 2.962 328 V HA 1.136 5.256 4.120 0.000 0.000 0.313 328 V C -0.209 175.779 176.094 -0.176 0.000 1.099 328 V CA 0.234 62.534 62.300 0.000 0.000 0.971 328 V CB 1.225 32.992 31.823 -0.094 0.000 1.028 328 V HN 1.119 nan 8.190 nan 0.000 0.430 329 G N 0.702 109.242 108.800 -0.434 0.000 2.430 329 G HA2 0.783 4.743 3.960 0.000 0.000 0.300 329 G HA3 0.783 4.743 3.960 0.000 0.000 0.300 329 G C -1.187 173.387 174.900 -0.543 0.000 1.330 329 G CA 0.116 44.511 45.100 -1.175 0.000 0.813 329 G HN 2.150 nan 8.290 nan 0.000 0.487 330 V N -2.370 117.303 119.914 -0.400 0.000 3.188 330 V HA 0.903 5.023 4.120 0.000 0.000 0.305 330 V C 0.254 176.495 176.094 0.245 0.000 1.232 330 V CA -0.345 61.968 62.300 0.022 0.000 1.043 330 V CB 1.112 32.934 31.823 -0.002 0.000 1.068 330 V HN 1.850 nan 8.190 nan 0.000 0.439 331 V N 0.077 120.168 119.914 0.296 0.000 3.262 331 V HA 0.563 4.683 4.120 0.000 0.000 0.313 331 V C 1.413 177.683 176.094 0.292 0.000 1.070 331 V CA 0.187 62.713 62.300 0.378 0.000 1.049 331 V CB 0.996 33.025 31.823 0.344 0.000 1.157 331 V HN 1.106 nan 8.190 nan 0.000 0.454 332 K N 0.113 120.687 120.400 0.290 0.000 2.001 332 K HA -0.060 4.260 4.320 0.000 0.000 0.208 332 K C 0.319 177.038 176.600 0.198 0.000 1.048 332 K CA 1.973 58.390 56.287 0.217 0.000 0.932 332 K CB -0.120 32.493 32.500 0.188 0.000 0.715 332 K HN 0.955 nan 8.250 nan 0.000 0.437 333 D N 1.388 121.910 120.400 0.204 0.000 2.772 333 D HA 0.048 4.688 4.640 0.000 0.000 0.273 333 D C 0.285 176.718 176.300 0.223 0.000 1.233 333 D CA -0.146 53.970 54.000 0.193 0.000 0.984 333 D CB 1.192 42.089 40.800 0.163 0.000 1.000 333 D HN 0.088 nan 8.370 nan 0.000 0.514 334 E N 0.812 121.153 120.200 0.235 0.000 2.097 334 E HA -0.161 4.189 4.350 0.000 0.000 0.196 334 E C 2.058 178.857 176.600 0.333 0.000 1.000 334 E CA 1.087 57.663 56.400 0.293 0.000 0.804 334 E CB -0.075 29.759 29.700 0.224 0.000 0.740 334 E HN 0.537 nan 8.360 nan 0.000 0.454 335 G N 0.541 109.500 108.800 0.264 0.000 2.986 335 G HA2 -0.084 3.876 3.960 0.000 0.000 0.213 335 G HA3 -0.084 3.876 3.960 0.000 0.000 0.213 335 G C 1.602 176.707 174.900 0.341 0.000 1.156 335 G CA 0.656 45.947 45.100 0.319 0.000 0.763 335 G HN 0.328 nan 8.290 nan 0.000 0.547 336 S N 0.043 115.892 115.700 0.249 0.000 2.368 336 S HA -0.217 4.253 4.470 0.000 0.000 0.225 336 S C 2.078 176.717 174.600 0.066 0.000 1.030 336 S CA 1.151 59.462 58.200 0.185 0.000 0.999 336 S CB -0.771 62.467 63.200 0.064 0.000 0.844 336 S HN 0.386 nan 8.310 nan 0.000 0.459 337 Y N 1.616 121.802 120.300 -0.189 0.000 2.181 337 Y HA -0.212 4.338 4.550 0.000 0.000 0.284 337 Y C 1.679 177.393 175.900 -0.310 0.000 1.179 337 Y CA 1.965 59.794 58.100 -0.452 0.000 1.179 337 Y CB -0.478 37.615 38.460 -0.612 0.000 0.973 337 Y HN 0.311 nan 8.280 nan 0.000 0.519 338 F N -1.102 118.932 119.950 0.141 0.000 2.512 338 F HA -0.069 4.458 4.527 -0.000 0.000 0.296 338 F C 1.886 177.729 175.800 0.071 0.000 1.110 338 F CA 0.626 58.691 58.000 0.108 0.000 1.446 338 F CB -0.330 38.692 39.000 0.036 0.000 1.092 338 F HN -0.029 nan 8.300 nan 0.000 0.554 339 L N -1.089 120.214 121.223 0.134 0.000 2.093 339 L HA -0.135 4.205 4.340 0.000 0.000 0.208 339 L C 2.262 179.173 176.870 0.068 0.000 1.085 339 L CA 0.569 55.328 54.840 -0.134 0.000 0.755 339 L CB -0.904 40.756 42.059 -0.665 0.000 0.904 339 L HN -0.065 nan 8.230 nan 0.000 0.435 340 V N -1.160 118.873 119.914 0.198 0.000 2.913 340 V HA -0.258 3.862 4.120 0.000 0.000 0.260 340 V C 2.064 178.266 176.094 0.180 0.000 1.098 340 V CA 1.558 64.027 62.300 0.282 0.000 1.121 340 V CB -0.514 31.442 31.823 0.222 0.000 0.714 340 V HN 0.335 nan 8.190 nan 0.000 0.487 341 Y N 0.218 120.592 120.300 0.125 0.000 2.262 341 Y HA 0.225 4.775 4.550 -0.000 0.000 0.295 341 Y C 2.225 178.216 175.900 0.151 0.000 1.121 341 Y CA 1.425 59.606 58.100 0.135 0.000 1.144 341 Y CB 0.136 38.670 38.460 0.124 0.000 1.043 341 Y HN 0.258 nan 8.280 nan 0.000 0.528 342 G N -1.105 107.879 108.800 0.306 0.000 4.165 342 G HA2 0.329 4.289 3.960 0.000 0.000 0.287 342 G HA3 0.329 4.289 3.960 0.000 0.000 0.287 342 G C -1.165 173.831 174.900 0.160 0.000 1.019 342 G CA -0.045 45.188 45.100 0.221 0.000 0.806 342 G HN -0.037 nan 8.290 nan 0.000 0.447 343 V N 2.140 122.153 119.914 0.165 0.000 2.347 343 V HA 0.342 4.462 4.120 0.000 0.000 0.280 343 V C -2.197 174.090 176.094 0.321 0.000 1.021 343 V CA -2.020 60.389 62.300 0.182 0.000 0.847 343 V CB 1.761 33.611 31.823 0.044 0.000 0.990 343 V HN 0.005 nan 8.190 nan 0.000 0.444 344 P HA 0.267 nan 4.420 nan 0.000 0.264 344 P C 1.002 178.419 177.300 0.195 0.000 1.193 344 P CA 1.237 64.442 63.100 0.174 0.000 0.763 344 P CB 0.701 32.463 31.700 0.103 0.000 0.810 345 G N 1.609 110.463 108.800 0.089 0.000 2.316 345 G HA2 -0.184 3.776 3.960 0.000 0.000 0.203 345 G HA3 -0.184 3.776 3.960 0.000 0.000 0.203 345 G C -0.244 174.479 174.900 -0.296 0.000 0.999 345 G CA -0.612 44.404 45.100 -0.140 0.000 0.649 345 G HN 0.387 nan 8.290 nan 0.000 0.489 346 F N 1.706 121.670 119.950 0.023 0.000 2.421 346 F HA 0.826 5.352 4.527 -0.000 0.000 0.337 346 F C 0.625 176.511 175.800 0.144 0.000 1.105 346 F CA -0.106 57.926 58.000 0.053 0.000 1.049 346 F CB 2.209 41.282 39.000 0.122 0.000 1.139 346 F HN 0.148 nan 8.300 nan 0.000 0.479 347 S N 1.141 117.066 115.700 0.375 0.000 2.596 347 S HA 0.295 4.765 4.470 0.000 0.000 0.270 347 S C 0.184 175.085 174.600 0.501 0.000 1.155 347 S CA -0.866 57.561 58.200 0.379 0.000 0.827 347 S CB 1.442 64.773 63.200 0.218 0.000 1.130 347 S HN 0.758 nan 8.310 nan 0.000 0.467 348 K N 0.625 121.212 120.400 0.310 0.000 2.459 348 K HA 0.188 4.508 4.320 0.000 0.000 0.193 348 K C -0.128 176.500 176.600 0.047 0.000 1.030 348 K CA 0.880 57.248 56.287 0.135 0.000 1.026 348 K CB 0.006 32.335 32.500 -0.285 0.000 0.809 348 K HN 0.408 nan 8.250 nan 0.000 0.504 349 D N 0.856 121.304 120.400 0.079 0.000 2.417 349 D HA 0.033 4.673 4.640 0.000 0.000 0.207 349 D C 0.040 176.379 176.300 0.065 0.000 1.075 349 D CA 0.115 54.124 54.000 0.016 0.000 0.851 349 D CB 0.292 41.081 40.800 -0.017 0.000 0.976 349 D HN 0.489 nan 8.370 nan 0.000 0.505 350 N N -0.168 118.602 118.700 0.118 0.000 3.091 350 N HA 0.161 4.901 4.740 0.000 0.000 0.329 350 N C 0.262 175.841 175.510 0.115 0.000 1.430 350 N CA -0.478 52.617 53.050 0.074 0.000 0.755 350 N CB 1.498 39.985 38.487 0.001 0.000 1.626 350 N HN -0.386 nan 8.380 nan 0.000 0.614 351 E N -0.156 120.033 120.200 -0.018 0.000 2.502 351 E HA 0.036 4.386 4.350 0.000 0.000 0.194 351 E C -0.221 176.026 176.600 -0.590 0.000 1.062 351 E CA 0.103 56.418 56.400 -0.141 0.000 0.867 351 E CB -0.393 29.264 29.700 -0.071 0.000 0.888 351 E HN 0.614 nan 8.360 nan 0.000 0.510 352 S N 0.128 115.518 115.700 -0.517 0.000 3.533 352 S HA -0.205 4.265 4.470 0.000 0.000 0.347 352 S C 0.479 174.634 174.600 -0.741 0.000 1.101 352 S CA 0.219 57.968 58.200 -0.752 0.000 1.009 352 S CB -1.843 60.646 63.200 -1.185 0.000 0.916 352 S HN 0.334 nan 8.310 nan 0.000 0.496 353 L N 1.464 122.407 121.223 -0.467 0.000 2.513 353 L HA 0.311 4.651 4.340 0.000 0.000 0.272 353 L C 0.748 177.401 176.870 -0.362 0.000 1.187 353 L CA 0.272 54.899 54.840 -0.355 0.000 0.895 353 L CB 0.018 41.944 42.059 -0.221 0.000 1.147 353 L HN 0.434 nan 8.230 nan 0.000 0.483 354 I N 0.098 120.461 120.570 -0.345 0.000 3.133 354 I HA 0.692 4.862 4.170 0.000 0.000 0.311 354 I C 0.271 176.304 176.117 -0.140 0.000 1.072 354 I CA -0.693 60.441 61.300 -0.278 0.000 1.015 354 I CB 2.057 39.860 38.000 -0.329 0.000 1.233 354 I HN 0.540 nan 8.210 nan 0.000 0.473 355 S N 1.202 116.857 115.700 -0.075 0.000 2.722 355 S HA 0.462 4.932 4.470 0.000 0.000 0.292 355 S C 0.827 175.452 174.600 0.041 0.000 1.135 355 S CA -0.594 57.592 58.200 -0.025 0.000 1.003 355 S CB 1.763 64.955 63.200 -0.013 0.000 1.067 355 S HN 0.869 nan 8.310 nan 0.000 0.546 356 R N 0.404 120.932 120.500 0.046 0.000 2.096 356 R HA -0.065 4.275 4.340 0.000 0.000 0.235 356 R C 2.244 178.645 176.300 0.169 0.000 1.127 356 R CA 1.695 57.862 56.100 0.111 0.000 0.968 356 R CB -1.124 29.216 30.300 0.067 0.000 0.861 356 R HN 0.818 nan 8.270 nan 0.000 0.440 357 A N 0.624 123.505 122.820 0.101 0.000 1.858 357 A HA -0.231 4.089 4.320 0.000 0.000 0.216 357 A C 2.079 179.721 177.584 0.097 0.000 1.190 357 A CA 1.680 53.768 52.037 0.085 0.000 0.617 357 A CB -0.627 18.404 19.000 0.052 0.000 0.827 357 A HN 0.535 nan 8.150 nan 0.000 0.443 358 Q N -1.836 118.022 119.800 0.096 0.000 2.181 358 Q HA -0.160 4.180 4.340 0.000 0.000 0.205 358 Q C 1.868 177.983 176.000 0.192 0.000 0.980 358 Q CA 1.584 57.455 55.803 0.113 0.000 0.862 358 Q CB -0.314 28.463 28.738 0.065 0.000 0.905 358 Q HN 0.797 nan 8.270 nan 0.000 0.429 359 F N 0.979 120.966 119.950 0.061 0.000 2.113 359 F HA -0.189 4.337 4.527 -0.000 0.000 0.297 359 F C 1.733 177.574 175.800 0.070 0.000 1.103 359 F CA 1.067 59.112 58.000 0.076 0.000 1.248 359 F CB 0.049 39.073 39.000 0.040 0.000 0.999 359 F HN -0.045 nan 8.300 nan 0.000 0.475 360 L N 0.230 121.428 121.223 -0.041 0.000 2.046 360 L HA -0.216 4.124 4.340 0.000 0.000 0.208 360 L C 2.861 179.669 176.870 -0.103 0.000 1.077 360 L CA 1.143 55.906 54.840 -0.128 0.000 0.747 360 L CB -1.441 40.630 42.059 0.021 0.000 0.896 360 L HN 0.274 nan 8.230 nan 0.000 0.432 361 A N 0.625 123.432 122.820 -0.023 0.000 1.902 361 A HA -0.124 4.196 4.320 0.000 0.000 0.217 361 A C 2.425 179.999 177.584 -0.018 0.000 1.181 361 A CA 1.789 53.825 52.037 -0.002 0.000 0.623 361 A CB -1.245 17.777 19.000 0.037 0.000 0.818 361 A HN 0.441 nan 8.150 nan 0.000 0.443 362 G N -0.864 107.928 108.800 -0.015 0.000 2.422 362 G HA2 -0.054 3.906 3.960 0.000 0.000 0.218 362 G HA3 -0.054 3.906 3.960 0.000 0.000 0.218 362 G C 1.463 176.301 174.900 -0.103 0.000 1.140 362 G CA 1.107 46.199 45.100 -0.014 0.000 0.775 362 G HN 0.310 nan 8.290 nan 0.000 0.545 363 V N 0.732 120.509 119.914 -0.228 0.000 2.427 363 V HA -0.101 4.019 4.120 0.000 0.000 0.248 363 V C 2.970 179.009 176.094 -0.091 0.000 1.051 363 V CA 1.456 63.626 62.300 -0.216 0.000 1.048 363 V CB -0.324 31.283 31.823 -0.361 0.000 0.666 363 V HN 0.200 nan 8.190 nan 0.000 0.456 364 R N -0.152 120.306 120.500 -0.071 0.000 2.092 364 R HA 0.023 4.363 4.340 0.000 0.000 0.231 364 R C 2.053 178.345 176.300 -0.014 0.000 1.119 364 R CA 1.385 57.467 56.100 -0.030 0.000 0.970 364 R CB -0.773 29.515 30.300 -0.020 0.000 0.864 364 R HN 0.473 nan 8.270 nan 0.000 0.440 365 I N -0.510 120.052 120.570 -0.013 0.000 2.233 365 I HA -0.094 4.076 4.170 0.000 0.000 0.243 365 I C 2.319 178.440 176.117 0.008 0.000 1.093 365 I CA 1.424 62.726 61.300 0.004 0.000 1.380 365 I CB -0.674 37.336 38.000 0.017 0.000 1.067 365 I HN 0.197 nan 8.210 nan 0.000 0.413 366 G N 0.553 109.350 108.800 -0.006 0.000 2.448 366 G HA2 -0.087 3.873 3.960 0.000 0.000 0.219 366 G HA3 -0.087 3.873 3.960 0.000 0.000 0.219 366 G C 0.886 175.813 174.900 0.045 0.000 1.127 366 G CA 0.479 45.580 45.100 0.003 0.000 0.766 366 G HN 0.269 nan 8.290 nan 0.000 0.552 367 V N 1.916 121.846 119.914 0.027 0.000 2.361 367 V HA 0.209 4.329 4.120 0.000 0.000 0.252 367 V C -1.415 174.698 176.094 0.031 0.000 0.986 367 V CA -1.071 61.246 62.300 0.029 0.000 1.033 367 V CB 1.474 33.292 31.823 -0.007 0.000 1.282 367 V HN 0.073 nan 8.190 nan 0.000 0.514 368 P HA -0.145 nan 4.420 nan 0.000 0.219 368 P C 1.006 178.317 177.300 0.018 0.000 1.150 368 P CA 1.065 64.178 63.100 0.021 0.000 0.814 368 P CB 0.369 32.078 31.700 0.016 0.000 0.787 369 Q N 0.158 119.977 119.800 0.032 0.000 2.515 369 Q HA 0.198 4.538 4.340 0.000 0.000 0.212 369 Q C 0.978 176.982 176.000 0.007 0.000 0.970 369 Q CA 0.307 56.121 55.803 0.019 0.000 0.941 369 Q CB -1.028 27.729 28.738 0.031 0.000 0.998 369 Q HN 0.169 nan 8.270 nan 0.000 0.518 370 A N 1.254 124.078 122.820 0.006 0.000 2.366 370 A HA 0.482 4.802 4.320 0.000 0.000 0.272 370 A C 0.450 178.030 177.584 -0.006 0.000 1.135 370 A CA -0.432 51.602 52.037 -0.004 0.000 0.804 370 A CB 0.306 19.307 19.000 0.001 0.000 1.064 370 A HN 0.368 nan 8.150 nan 0.000 0.499 371 S N 1.941 117.633 115.700 -0.013 0.000 2.606 371 S HA 0.082 4.552 4.470 0.000 0.000 0.257 371 S C 0.380 174.980 174.600 0.001 0.000 1.327 371 S CA 0.296 58.490 58.200 -0.009 0.000 0.984 371 S CB 0.358 63.547 63.200 -0.018 0.000 0.941 371 S HN 0.621 nan 8.310 nan 0.000 0.576 372 D N 0.089 120.492 120.400 0.006 0.000 2.117 372 D HA -0.059 4.581 4.640 0.000 0.000 0.197 372 D C 1.740 178.057 176.300 0.028 0.000 0.987 372 D CA 0.890 54.899 54.000 0.016 0.000 0.829 372 D CB -0.466 40.344 40.800 0.017 0.000 0.961 372 D HN 0.412 nan 8.370 nan 0.000 0.460 373 L N 0.886 122.124 121.223 0.025 0.000 1.994 373 L HA -0.080 4.260 4.340 0.000 0.000 0.208 373 L C 2.126 179.031 176.870 0.058 0.000 1.071 373 L CA 1.875 56.740 54.840 0.042 0.000 0.745 373 L CB -0.940 41.137 42.059 0.030 0.000 0.892 373 L HN 0.004 nan 8.230 nan 0.000 0.431 374 A N -0.548 122.287 122.820 0.026 0.000 1.917 374 A HA -0.201 4.119 4.320 0.000 0.000 0.219 374 A C 2.439 180.068 177.584 0.074 0.000 1.182 374 A CA 2.132 54.185 52.037 0.027 0.000 0.633 374 A CB -1.227 17.749 19.000 -0.039 0.000 0.819 374 A HN 0.601 nan 8.150 nan 0.000 0.448 375 A N -0.536 122.315 122.820 0.052 0.000 1.902 375 A HA -0.165 4.156 4.320 0.000 0.000 0.217 375 A C 1.939 179.573 177.584 0.084 0.000 1.181 375 A CA 1.638 53.706 52.037 0.053 0.000 0.623 375 A CB -0.524 18.490 19.000 0.023 0.000 0.818 375 A HN 0.632 nan 8.150 nan 0.000 0.443 376 E N -0.367 119.890 120.200 0.094 0.000 2.110 376 E HA -0.124 4.226 4.350 0.000 0.000 0.193 376 E C 2.279 178.978 176.600 0.165 0.000 0.988 376 E CA 0.864 57.339 56.400 0.125 0.000 0.804 376 E CB -0.258 29.507 29.700 0.110 0.000 0.745 376 E HN 0.626 nan 8.360 nan 0.000 0.458 377 A N 0.681 123.611 122.820 0.184 0.000 1.933 377 A HA -0.155 4.165 4.320 0.000 0.000 0.218 377 A C 2.435 180.113 177.584 0.158 0.000 1.175 377 A CA 1.158 53.336 52.037 0.235 0.000 0.628 377 A CB -0.537 18.709 19.000 0.410 0.000 0.814 377 A HN 0.120 nan 8.150 nan 0.000 0.444 378 V N -0.644 119.392 119.914 0.205 0.000 2.270 378 V HA -0.208 3.912 4.120 0.000 0.000 0.245 378 V C 2.566 178.845 176.094 0.308 0.000 1.043 378 V CA 1.913 64.331 62.300 0.197 0.000 1.014 378 V CB -0.730 31.218 31.823 0.208 0.000 0.645 378 V HN 0.357 nan 8.190 nan 0.000 0.447 379 V N -0.396 119.668 119.914 0.250 0.000 2.392 379 V HA -0.271 3.849 4.120 0.000 0.000 0.249 379 V C 2.359 178.700 176.094 0.413 0.000 1.059 379 V CA 1.902 64.414 62.300 0.355 0.000 1.051 379 V CB -0.525 31.449 31.823 0.253 0.000 0.658 379 V HN 0.392 nan 8.190 nan 0.000 0.455 380 L N -0.694 120.748 121.223 0.363 0.000 2.017 380 L HA -0.192 4.148 4.340 0.000 0.000 0.208 380 L C 2.473 179.570 176.870 0.378 0.000 1.073 380 L CA 2.300 57.421 54.840 0.468 0.000 0.745 380 L CB -0.905 41.325 42.059 0.285 0.000 0.894 380 L HN 0.439 nan 8.230 nan 0.000 0.432 381 H N -2.179 116.898 119.070 0.012 0.000 2.387 381 H HA -0.210 4.346 4.556 -0.002 0.000 0.299 381 H C 1.754 176.992 175.328 -0.150 0.000 1.099 381 H CA 1.987 57.901 56.048 -0.225 0.000 1.315 381 H CB 0.020 29.324 29.762 -0.763 0.000 1.380 381 H HN 0.366 nan 8.280 nan 0.000 0.513 382 Y N -0.574 119.799 120.300 0.123 0.000 2.503 382 Y HA 0.122 4.672 4.550 0.001 0.000 0.278 382 Y C 1.068 177.009 175.900 0.068 0.000 1.111 382 Y CA 0.462 58.652 58.100 0.150 0.000 1.270 382 Y CB 0.192 38.867 38.460 0.359 0.000 1.063 382 Y HN 0.008 nan 8.280 nan 0.000 0.548 383 T N 1.637 116.225 114.554 0.056 0.000 2.928 383 T HA -0.066 4.284 4.350 0.000 0.000 0.305 383 T C -0.336 174.040 174.700 -0.540 0.000 1.035 383 T CA 0.006 61.873 62.100 -0.388 0.000 1.145 383 T CB 0.090 68.333 68.868 -1.042 0.000 0.963 383 T HN 0.121 nan 8.240 nan 0.000 0.545 384 D N 2.194 122.252 120.400 -0.570 0.000 2.380 384 D HA 0.129 4.769 4.640 0.000 0.000 0.230 384 D C 0.035 176.055 176.300 -0.467 0.000 1.154 384 D CA -0.667 52.979 54.000 -0.589 0.000 0.859 384 D CB 0.321 40.543 40.800 -0.963 0.000 1.045 384 D HN 0.597 nan 8.370 nan 0.000 0.495 385 W N 3.122 124.345 121.300 -0.127 0.000 2.937 385 W HA 0.132 4.791 4.660 -0.002 0.000 0.245 385 W C 1.835 178.272 176.519 -0.135 0.000 1.306 385 W CA -0.297 56.988 57.345 -0.099 0.000 1.470 385 W CB 0.051 29.464 29.460 -0.080 0.000 1.132 385 W HN 0.443 nan 8.180 nan 0.000 0.675 386 L N -0.870 120.322 121.223 -0.052 0.000 2.131 386 L HA -0.091 4.249 4.340 0.000 0.000 0.206 386 L C 0.148 176.690 176.870 -0.547 0.000 1.087 386 L CA 1.211 55.886 54.840 -0.276 0.000 0.767 386 L CB -0.166 41.706 42.059 -0.312 0.000 0.917 386 L HN 0.020 nan 8.230 nan 0.000 0.441 387 H N -2.128 116.860 119.070 -0.136 0.000 2.439 387 H HA 0.187 4.742 4.556 -0.001 0.000 0.228 387 H C -1.983 173.229 175.328 -0.192 0.000 1.423 387 H CA -1.460 54.508 56.048 -0.133 0.000 1.386 387 H CB 0.249 29.937 29.762 -0.124 0.000 1.641 387 H HN -0.036 nan 8.280 nan 0.000 0.508 388 P HA -0.128 nan 4.420 nan 0.000 0.225 388 P C 0.883 178.099 177.300 -0.140 0.000 1.148 388 P CA 1.071 64.016 63.100 -0.258 0.000 0.779 388 P CB 0.601 32.150 31.700 -0.252 0.000 0.780 389 E N -0.884 119.284 120.200 -0.053 0.000 2.498 389 E HA 0.039 4.389 4.350 0.000 0.000 0.203 389 E C -0.106 176.476 176.600 -0.029 0.000 1.013 389 E CA 0.043 56.423 56.400 -0.033 0.000 0.927 389 E CB -0.130 29.566 29.700 -0.007 0.000 1.012 389 E HN 0.283 nan 8.360 nan 0.000 0.482 390 D N 1.976 122.369 120.400 -0.013 0.000 2.346 390 D HA 0.030 4.670 4.640 0.000 0.000 0.260 390 D C -1.650 174.619 176.300 -0.051 0.000 1.252 390 D CA -1.781 52.208 54.000 -0.018 0.000 0.895 390 D CB 1.387 42.181 40.800 -0.009 0.000 1.097 390 D HN -0.200 nan 8.370 nan 0.000 0.489 391 P HA -0.161 nan 4.420 nan 0.000 0.216 391 P C 1.117 178.335 177.300 -0.135 0.000 1.150 391 P CA 1.157 64.187 63.100 -0.117 0.000 0.843 391 P CB 0.225 31.855 31.700 -0.117 0.000 0.787 392 T N -2.153 112.342 114.554 -0.098 0.000 2.770 392 T HA -0.157 4.194 4.350 0.000 0.000 0.263 392 T C 1.720 176.377 174.700 -0.072 0.000 1.039 392 T CA 1.478 63.527 62.100 -0.085 0.000 1.142 392 T CB -0.987 67.849 68.868 -0.054 0.000 0.868 392 T HN 0.255 nan 8.240 nan 0.000 0.435 393 H N 1.105 120.106 119.070 -0.115 0.000 2.352 393 H HA 0.030 4.586 4.556 -0.001 0.000 0.299 393 H C 2.002 177.241 175.328 -0.147 0.000 1.097 393 H CA 1.451 57.430 56.048 -0.114 0.000 1.311 393 H CB -0.586 29.094 29.762 -0.136 0.000 1.377 393 H HN 0.243 nan 8.280 nan 0.000 0.504 394 L N 0.010 120.997 121.223 -0.394 0.000 2.017 394 L HA -0.187 4.153 4.340 0.000 0.000 0.208 394 L C 2.944 179.667 176.870 -0.244 0.000 1.073 394 L CA 1.604 56.142 54.840 -0.503 0.000 0.745 394 L CB -0.552 41.299 42.059 -0.346 0.000 0.894 394 L HN 0.300 nan 8.230 nan 0.000 0.432 395 R N 0.522 120.940 120.500 -0.137 0.000 2.112 395 R HA -0.230 4.110 4.340 0.000 0.000 0.242 395 R C 1.714 178.084 176.300 0.117 0.000 1.137 395 R CA 2.486 58.591 56.100 0.008 0.000 0.944 395 R CB -0.444 29.746 30.300 -0.182 0.000 0.857 395 R HN 0.379 nan 8.270 nan 0.000 0.435 396 D N -0.176 120.223 120.400 -0.003 0.000 2.224 396 D HA -0.032 4.608 4.640 0.000 0.000 0.205 396 D C 1.686 178.009 176.300 0.037 0.000 0.965 396 D CA 1.172 55.213 54.000 0.068 0.000 0.852 396 D CB -0.173 40.661 40.800 0.057 0.000 0.947 396 D HN 0.379 nan 8.370 nan 0.000 0.494 397 A N 0.827 123.561 122.820 -0.143 0.000 1.873 397 A HA -0.147 4.173 4.320 0.000 0.000 0.215 397 A C 2.159 179.829 177.584 0.143 0.000 1.186 397 A CA 1.487 53.505 52.037 -0.032 0.000 0.616 397 A CB -0.537 18.275 19.000 -0.314 0.000 0.823 397 A HN 0.149 nan 8.150 nan 0.000 0.442 398 M N -0.009 119.745 119.600 0.256 0.000 2.106 398 M HA -0.139 4.341 4.480 0.000 0.000 0.259 398 M C 2.268 178.618 176.300 0.084 0.000 1.068 398 M CA 2.185 57.645 55.300 0.267 0.000 1.100 398 M CB -0.535 32.280 32.600 0.359 0.000 1.351 398 M HN 0.393 nan 8.290 nan 0.000 0.404 399 S N -0.448 115.328 115.700 0.126 0.000 2.353 399 S HA -0.132 4.338 4.470 0.000 0.000 0.222 399 S C 2.032 176.699 174.600 0.113 0.000 1.035 399 S CA 1.664 59.948 58.200 0.140 0.000 1.025 399 S CB -0.672 62.671 63.200 0.238 0.000 0.902 399 S HN 0.673 nan 8.310 nan 0.000 0.440 400 A N 0.858 123.759 122.820 0.135 0.000 1.883 400 A HA -0.045 4.275 4.320 0.000 0.000 0.217 400 A C 2.351 179.960 177.584 0.042 0.000 1.186 400 A CA 1.893 54.037 52.037 0.178 0.000 0.624 400 A CB -1.212 18.006 19.000 0.363 0.000 0.822 400 A HN 0.448 nan 8.150 nan 0.000 0.444 401 V N -0.358 119.417 119.914 -0.232 0.000 2.252 401 V HA -0.291 3.829 4.120 0.000 0.000 0.249 401 V C 2.593 178.588 176.094 -0.166 0.000 1.056 401 V CA 2.279 64.375 62.300 -0.340 0.000 1.022 401 V CB -0.858 30.771 31.823 -0.323 0.000 0.641 401 V HN 0.395 nan 8.190 nan 0.000 0.445 402 V N 0.556 120.402 119.914 -0.113 0.000 2.307 402 V HA -0.159 3.961 4.120 0.000 0.000 0.245 402 V C 2.618 178.587 176.094 -0.208 0.000 1.045 402 V CA 2.176 64.395 62.300 -0.135 0.000 1.024 402 V CB -1.399 30.394 31.823 -0.049 0.000 0.651 402 V HN 0.620 nan 8.190 nan 0.000 0.449 403 G N -0.251 108.500 108.800 -0.082 0.000 2.418 403 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 403 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 403 G C 1.227 176.047 174.900 -0.133 0.000 1.158 403 G CA 1.098 46.164 45.100 -0.055 0.000 0.771 403 G HN 0.513 nan 8.290 nan 0.000 0.545 404 D N -0.398 119.931 120.400 -0.119 0.000 2.123 404 D HA -0.060 4.580 4.640 0.000 0.000 0.200 404 D C 2.109 178.073 176.300 -0.561 0.000 0.976 404 D CA 1.078 54.969 54.000 -0.180 0.000 0.831 404 D CB -0.427 40.437 40.800 0.106 0.000 0.974 404 D HN 0.388 nan 8.370 nan 0.000 0.469 405 H N 0.672 119.160 119.070 -0.970 0.000 2.423 405 H HA 0.053 4.608 4.556 -0.001 0.000 0.297 405 H C 1.353 176.275 175.328 -0.677 0.000 1.075 405 H CA 1.396 56.710 56.048 -1.224 0.000 1.342 405 H CB 0.182 29.198 29.762 -1.244 0.000 1.395 405 H HN 0.001 nan 8.280 nan 0.000 0.530 406 N N -1.049 117.214 118.700 -0.729 0.000 2.482 406 N HA 0.026 4.766 4.740 0.000 0.000 0.179 406 N C 1.429 176.703 175.510 -0.394 0.000 1.039 406 N CA 1.063 53.621 53.050 -0.821 0.000 0.884 406 N CB 0.968 38.362 38.487 -1.821 0.000 1.113 406 N HN 0.238 nan 8.380 nan 0.000 0.440 407 V N 0.165 119.903 119.914 -0.294 0.000 3.001 407 V HA 0.075 4.195 4.120 0.000 0.000 0.228 407 V C 2.281 178.330 176.094 -0.076 0.000 1.204 407 V CA 0.332 62.589 62.300 -0.071 0.000 1.247 407 V CB -0.255 31.602 31.823 0.057 0.000 1.093 407 V HN -0.145 nan 8.190 nan 0.000 0.504 408 V N 0.112 119.979 119.914 -0.078 0.000 2.295 408 V HA -0.283 3.837 4.120 0.000 0.000 0.246 408 V C 2.511 178.566 176.094 -0.065 0.000 1.049 408 V CA 2.495 64.761 62.300 -0.056 0.000 1.024 408 V CB -0.902 30.915 31.823 -0.010 0.000 0.648 408 V HN 0.654 nan 8.190 nan 0.000 0.447 409 c N -0.418 118.136 118.600 -0.077 0.000 2.457 409 c HA 0.033 4.604 4.570 0.000 0.000 0.278 409 c C 0.542 174.598 174.090 -0.057 0.000 1.309 409 c CA 0.716 57.029 56.329 -0.026 0.000 1.735 409 c CB -1.835 40.702 42.510 0.043 0.000 1.992 409 c HN 0.452 nan 8.230 nan 0.000 0.493 410 P HA -0.067 nan 4.420 nan 0.000 0.216 410 P C 1.744 178.976 177.300 -0.114 0.000 1.150 410 P CA 1.347 64.370 63.100 -0.128 0.000 0.837 410 P CB -0.164 31.422 31.700 -0.191 0.000 0.786 411 V N 0.011 119.860 119.914 -0.109 0.000 2.358 411 V HA -0.216 3.904 4.120 0.000 0.000 0.246 411 V C 2.460 178.454 176.094 -0.167 0.000 1.047 411 V CA 2.125 64.348 62.300 -0.128 0.000 1.035 411 V CB -1.659 30.093 31.823 -0.118 0.000 0.658 411 V HN 0.090 nan 8.190 nan 0.000 0.452 412 A N -0.102 122.637 122.820 -0.136 0.000 1.883 412 A HA -0.338 3.982 4.320 0.000 0.000 0.217 412 A C 2.209 179.743 177.584 -0.084 0.000 1.186 412 A CA 2.353 54.314 52.037 -0.127 0.000 0.624 412 A CB -0.628 18.356 19.000 -0.027 0.000 0.822 412 A HN 0.600 nan 8.150 nan 0.000 0.444 413 Q N -0.552 119.219 119.800 -0.048 0.000 2.077 413 Q HA -0.203 4.137 4.340 0.000 0.000 0.206 413 Q C 1.886 177.854 176.000 -0.053 0.000 0.989 413 Q CA 2.192 57.980 55.803 -0.025 0.000 0.853 413 Q CB -0.485 28.236 28.738 -0.030 0.000 0.907 413 Q HN 0.543 nan 8.270 nan 0.000 0.418 414 L N 0.104 121.268 121.223 -0.099 0.000 2.056 414 L HA 0.011 4.351 4.340 0.000 0.000 0.207 414 L C 2.198 178.981 176.870 -0.146 0.000 1.078 414 L CA 2.111 56.877 54.840 -0.123 0.000 0.749 414 L CB -0.995 40.980 42.059 -0.139 0.000 0.901 414 L HN 0.318 nan 8.230 nan 0.000 0.433 415 A N -0.200 122.492 122.820 -0.214 0.000 1.865 415 A HA -0.113 4.207 4.320 0.000 0.000 0.217 415 A C 2.371 179.923 177.584 -0.054 0.000 1.191 415 A CA 1.812 53.665 52.037 -0.307 0.000 0.623 415 A CB -1.777 16.718 19.000 -0.841 0.000 0.826 415 A HN 0.538 nan 8.150 nan 0.000 0.444 416 G N -0.274 108.565 108.800 0.065 0.000 2.631 416 G HA2 -0.333 3.627 3.960 0.000 0.000 0.219 416 G HA3 -0.333 3.627 3.960 0.000 0.000 0.219 416 G C 1.677 176.646 174.900 0.115 0.000 1.214 416 G CA 1.181 46.410 45.100 0.214 0.000 0.785 416 G HN 0.451 nan 8.290 nan 0.000 0.596 417 R N 0.140 120.668 120.500 0.047 0.000 2.081 417 R HA 0.082 4.422 4.340 0.000 0.000 0.235 417 R C 2.759 179.083 176.300 0.039 0.000 1.131 417 R CA 0.692 56.821 56.100 0.048 0.000 0.960 417 R CB -1.111 29.205 30.300 0.028 0.000 0.856 417 R HN 0.431 nan 8.270 nan 0.000 0.436 418 L N 0.319 121.505 121.223 -0.062 0.000 2.017 418 L HA -0.131 4.209 4.340 0.000 0.000 0.208 418 L C 2.682 179.569 176.870 0.029 0.000 1.073 418 L CA 1.394 56.152 54.840 -0.137 0.000 0.745 418 L CB -0.714 41.194 42.059 -0.252 0.000 0.894 418 L HN 0.155 nan 8.230 nan 0.000 0.432 419 A N 0.088 122.949 122.820 0.069 0.000 1.908 419 A HA -0.222 4.098 4.320 0.000 0.000 0.218 419 A C 2.466 180.106 177.584 0.094 0.000 1.181 419 A CA 1.920 54.019 52.037 0.102 0.000 0.627 419 A CB -0.754 18.352 19.000 0.177 0.000 0.818 419 A HN 0.428 nan 8.150 nan 0.000 0.445 420 A N -1.676 121.204 122.820 0.101 0.000 2.067 420 A HA -0.053 4.267 4.320 0.000 0.000 0.219 420 A C 1.837 179.485 177.584 0.106 0.000 1.158 420 A CA 1.597 53.688 52.037 0.089 0.000 0.661 420 A CB -0.229 18.822 19.000 0.085 0.000 0.801 420 A HN 0.512 nan 8.150 nan 0.000 0.452 421 Q N -1.484 118.414 119.800 0.162 0.000 2.201 421 Q HA 0.383 4.723 4.340 0.000 0.000 0.217 421 Q C 0.916 177.042 176.000 0.211 0.000 0.860 421 Q CA 0.658 56.591 55.803 0.216 0.000 0.984 421 Q CB 0.252 29.244 28.738 0.423 0.000 1.095 421 Q HN 0.793 nan 8.270 nan 0.000 0.477 422 G N -0.946 107.940 108.800 0.144 0.000 2.176 422 G HA2 -0.294 3.666 3.960 0.000 0.000 0.253 422 G HA3 -0.294 3.666 3.960 0.000 0.000 0.253 422 G C 0.318 175.292 174.900 0.125 0.000 0.979 422 G CA -0.038 45.129 45.100 0.112 0.000 0.641 422 G HN 0.594 nan 8.290 nan 0.000 0.530 423 A N -0.197 122.716 122.820 0.155 0.000 2.386 423 A HA 0.708 5.028 4.320 0.000 0.000 0.248 423 A C 0.667 178.294 177.584 0.073 0.000 1.082 423 A CA 0.556 52.666 52.037 0.123 0.000 0.789 423 A CB 0.311 19.356 19.000 0.075 0.000 1.025 423 A HN 0.767 nan 8.150 nan 0.000 0.490 424 R N 1.500 122.046 120.500 0.075 0.000 2.202 424 R HA 0.494 4.834 4.340 0.000 0.000 0.334 424 R C -1.402 174.913 176.300 0.025 0.000 1.036 424 R CA -0.102 56.019 56.100 0.034 0.000 0.878 424 R CB 0.462 30.811 30.300 0.081 0.000 1.067 424 R HN 0.469 nan 8.270 nan 0.000 0.457 425 V N 5.737 125.597 119.914 -0.089 0.000 2.495 425 V HA 0.388 4.508 4.120 0.000 0.000 0.298 425 V C -0.972 174.978 176.094 -0.240 0.000 1.031 425 V CA -0.760 61.499 62.300 -0.069 0.000 0.871 425 V CB 1.447 33.274 31.823 0.006 0.000 0.988 425 V HN 0.647 nan 8.190 nan 0.000 0.432 426 Y N 2.289 122.542 120.300 -0.079 0.000 2.393 426 Y HA 0.786 5.335 4.550 -0.001 0.000 0.341 426 Y C 0.349 176.348 175.900 0.166 0.000 0.988 426 Y CA -0.446 57.602 58.100 -0.088 0.000 1.078 426 Y CB 2.177 40.225 38.460 -0.687 0.000 1.203 426 Y HN 0.770 nan 8.280 nan 0.000 0.453 427 A N 3.179 126.403 122.820 0.674 0.000 2.454 427 A HA 0.875 5.195 4.320 0.000 0.000 0.302 427 A C -1.927 176.056 177.584 0.664 0.000 1.079 427 A CA -0.711 51.621 52.037 0.492 0.000 0.731 427 A CB 1.228 20.325 19.000 0.162 0.000 1.299 427 A HN 0.760 nan 8.150 nan 0.000 0.413 428 Y N -0.695 119.828 120.300 0.372 0.000 2.597 428 Y HA 0.778 5.327 4.550 -0.002 0.000 0.340 428 Y C -1.227 174.818 175.900 0.243 0.000 1.097 428 Y CA -1.451 56.796 58.100 0.245 0.000 1.037 428 Y CB 1.301 39.884 38.460 0.204 0.000 1.305 428 Y HN 0.775 nan 8.280 nan 0.000 0.463 429 I N 3.536 124.352 120.570 0.410 0.000 2.465 429 I HA 0.521 4.691 4.170 0.000 0.000 0.291 429 I C -1.902 174.535 176.117 0.533 0.000 1.014 429 I CA -1.035 60.480 61.300 0.358 0.000 1.093 429 I CB 1.217 39.350 38.000 0.222 0.000 1.267 429 I HN 0.737 nan 8.210 nan 0.000 0.431 430 F N 7.378 127.605 119.950 0.461 0.000 2.405 430 F HA 0.435 4.963 4.527 0.001 0.000 0.355 430 F C 0.367 176.324 175.800 0.262 0.000 1.121 430 F CA -0.023 58.208 58.000 0.385 0.000 1.112 430 F CB 0.972 40.230 39.000 0.431 0.000 1.126 430 F HN 0.557 nan 8.300 nan 0.000 0.481 431 E N 3.569 123.706 120.200 -0.105 0.000 2.758 431 E HA -0.005 4.345 4.350 0.000 0.000 0.215 431 E C -0.931 175.597 176.600 -0.120 0.000 0.985 431 E CA -0.175 56.218 56.400 -0.010 0.000 1.102 431 E CB 0.302 30.004 29.700 0.002 0.000 1.042 431 E HN 0.562 nan 8.360 nan 0.000 0.480 432 H N 1.125 119.911 119.070 -0.472 0.000 2.476 432 H HA 0.296 4.852 4.556 -0.001 0.000 0.328 432 H C -0.509 174.816 175.328 -0.004 0.000 1.073 432 H CA -0.635 55.188 56.048 -0.375 0.000 1.229 432 H CB 0.723 30.015 29.762 -0.783 0.000 1.432 432 H HN -0.148 nan 8.280 nan 0.000 0.477 433 R N 4.211 124.373 120.500 -0.565 0.000 2.216 433 R HA 0.474 4.814 4.340 0.000 0.000 0.332 433 R C -0.552 175.477 176.300 -0.450 0.000 1.056 433 R CA -0.523 55.394 56.100 -0.305 0.000 0.901 433 R CB 0.224 30.431 30.300 -0.156 0.000 1.039 433 R HN 0.808 nan 8.270 nan 0.000 0.456 434 A N 3.194 126.046 122.820 0.054 0.000 2.546 434 A HA -0.012 4.308 4.320 0.000 0.000 0.243 434 A C 1.393 179.089 177.584 0.186 0.000 1.063 434 A CA 0.587 52.873 52.037 0.416 0.000 0.757 434 A CB 0.313 19.712 19.000 0.665 0.000 0.991 434 A HN 1.034 nan 8.150 nan 0.000 0.503 435 S N 1.550 117.401 115.700 0.251 0.000 2.440 435 S HA -0.147 4.323 4.470 0.000 0.000 0.238 435 S C 1.170 175.776 174.600 0.010 0.000 1.010 435 S CA 1.675 59.942 58.200 0.111 0.000 0.972 435 S CB -0.727 62.561 63.200 0.146 0.000 0.774 435 S HN 1.403 nan 8.310 nan 0.000 0.501 436 T N -0.538 113.992 114.554 -0.039 0.000 3.264 436 T HA 0.511 4.861 4.350 0.000 0.000 0.257 436 T C -0.158 174.485 174.700 -0.094 0.000 0.976 436 T CA -0.710 61.300 62.100 -0.150 0.000 0.908 436 T CB -0.304 68.326 68.868 -0.397 0.000 1.082 436 T HN 0.225 nan 8.240 nan 0.000 0.567 437 L N 3.105 124.309 121.223 -0.031 0.000 2.305 437 L HA 0.433 4.773 4.340 0.000 0.000 0.281 437 L C 1.458 178.284 176.870 -0.073 0.000 1.085 437 L CA 0.264 55.084 54.840 -0.032 0.000 0.813 437 L CB 1.368 43.426 42.059 -0.002 0.000 1.157 437 L HN 0.444 nan 8.230 nan 0.000 0.436 438 T N -0.648 113.810 114.554 -0.160 0.000 3.107 438 T HA 0.124 4.474 4.350 0.000 0.000 0.249 438 T C 0.282 174.905 174.700 -0.130 0.000 1.096 438 T CA -0.388 61.605 62.100 -0.179 0.000 1.012 438 T CB -0.390 68.268 68.868 -0.350 0.000 0.977 438 T HN 0.408 nan 8.240 nan 0.000 0.527 439 W N 2.259 123.542 121.300 -0.028 0.000 2.213 439 W HA 0.536 5.196 4.660 0.001 0.000 0.356 439 W C -2.321 174.091 176.519 -0.177 0.000 1.273 439 W CA -2.376 54.907 57.345 -0.103 0.000 1.391 439 W CB 0.095 29.429 29.460 -0.210 0.000 1.187 439 W HN -0.072 nan 8.180 nan 0.000 0.649 440 P HA 0.185 nan 4.420 nan 0.000 0.278 440 P C 0.376 177.600 177.300 -0.127 0.000 1.258 440 P CA -0.404 62.649 63.100 -0.078 0.000 0.811 440 P CB 0.849 32.498 31.700 -0.084 0.000 1.063 441 L N 0.356 121.574 121.223 -0.008 0.000 2.131 441 L HA -0.127 4.213 4.340 0.000 0.000 0.210 441 L C 2.319 179.226 176.870 0.061 0.000 1.092 441 L CA 1.352 56.208 54.840 0.025 0.000 0.759 441 L CB -0.797 41.303 42.059 0.068 0.000 0.903 441 L HN 0.610 nan 8.230 nan 0.000 0.435 442 W N -1.081 120.261 121.300 0.071 0.000 2.364 442 W HA -0.214 4.445 4.660 -0.001 0.000 0.281 442 W C 1.748 178.322 176.519 0.091 0.000 1.219 442 W CA 0.630 58.021 57.345 0.076 0.000 1.220 442 W CB -0.834 28.671 29.460 0.076 0.000 1.127 442 W HN 0.181 nan 8.180 nan 0.000 0.556 443 M N 1.438 120.754 119.600 -0.474 0.000 2.630 443 M HA 0.101 4.582 4.480 0.000 0.000 0.254 443 M C 1.692 177.917 176.300 -0.126 0.000 1.092 443 M CA 1.624 56.627 55.300 -0.494 0.000 1.087 443 M CB -0.581 31.569 32.600 -0.751 0.000 1.453 443 M HN 0.228 nan 8.290 nan 0.000 0.509 444 G N 0.176 108.958 108.800 -0.030 0.000 2.550 444 G HA2 -0.283 3.677 3.960 0.000 0.000 0.277 444 G HA3 -0.283 3.677 3.960 0.000 0.000 0.277 444 G C -0.282 174.635 174.900 0.029 0.000 1.190 444 G CA -0.274 44.848 45.100 0.037 0.000 0.971 444 G HN 0.192 nan 8.290 nan 0.000 0.559 445 V N 3.541 123.511 119.914 0.092 0.000 2.320 445 V HA 0.474 4.594 4.120 0.000 0.000 0.265 445 V C -1.769 174.437 176.094 0.187 0.000 1.048 445 V CA -0.731 61.665 62.300 0.159 0.000 0.865 445 V CB 1.106 33.081 31.823 0.254 0.000 1.043 445 V HN 0.557 nan 8.190 nan 0.000 0.474 446 P HA 0.239 nan 4.420 nan 0.000 0.279 446 P C -0.296 177.188 177.300 0.308 0.000 1.252 446 P CA -0.709 62.487 63.100 0.160 0.000 0.811 446 P CB 0.394 32.069 31.700 -0.042 0.000 1.035 447 H N 0.939 120.079 119.070 0.117 0.000 3.231 447 H HA 0.166 4.721 4.556 -0.001 0.000 0.280 447 H C 1.546 176.794 175.328 -0.134 0.000 0.901 447 H CA 2.504 58.555 56.048 0.005 0.000 1.414 447 H CB -0.870 28.856 29.762 -0.060 0.000 1.433 447 H HN 0.756 nan 8.280 nan 0.000 0.549 448 G N 3.645 112.214 108.800 -0.386 0.000 2.195 448 G HA2 -0.286 3.674 3.960 0.000 0.000 0.224 448 G HA3 -0.286 3.674 3.960 0.000 0.000 0.224 448 G C 0.346 175.124 174.900 -0.203 0.000 0.990 448 G CA 0.237 45.073 45.100 -0.439 0.000 0.639 448 G HN 0.623 nan 8.290 nan 0.000 0.514 449 Y N 1.438 121.802 120.300 0.107 0.000 2.683 449 Y HA 0.345 4.894 4.550 -0.001 0.000 0.297 449 Y C 1.961 177.939 175.900 0.131 0.000 1.147 449 Y CA 0.525 58.747 58.100 0.204 0.000 1.274 449 Y CB 0.502 39.128 38.460 0.277 0.000 1.143 449 Y HN 0.455 nan 8.280 nan 0.000 0.527 450 E N -0.492 119.655 120.200 -0.090 0.000 2.434 450 E HA 0.006 4.356 4.350 0.000 0.000 0.207 450 E C 1.565 178.061 176.600 -0.173 0.000 0.929 450 E CA 0.400 56.462 56.400 -0.562 0.000 1.001 450 E CB -0.451 28.338 29.700 -1.518 0.000 1.016 450 E HN 0.531 nan 8.360 nan 0.000 0.502 451 I N 3.068 123.607 120.570 -0.051 0.000 2.185 451 I HA -0.339 3.831 4.170 0.000 0.000 0.246 451 I C 2.727 178.837 176.117 -0.012 0.000 1.088 451 I CA 2.404 63.720 61.300 0.026 0.000 1.347 451 I CB -0.404 37.649 38.000 0.087 0.000 1.041 451 I HN 0.282 nan 8.210 nan 0.000 0.415 452 E N 0.832 120.979 120.200 -0.088 0.000 2.208 452 E HA -0.197 4.153 4.350 0.000 0.000 0.193 452 E C 2.041 178.430 176.600 -0.351 0.000 0.988 452 E CA 1.218 57.471 56.400 -0.245 0.000 0.828 452 E CB -0.429 29.092 29.700 -0.297 0.000 0.763 452 E HN 0.463 nan 8.360 nan 0.000 0.478 453 F N 1.289 121.148 119.950 -0.151 0.000 2.234 453 F HA 0.117 4.646 4.527 0.003 0.000 0.296 453 F C 2.279 177.876 175.800 -0.338 0.000 1.089 453 F CA 0.617 58.480 58.000 -0.229 0.000 1.343 453 F CB -0.103 38.849 39.000 -0.081 0.000 1.040 453 F HN -0.069 nan 8.300 nan 0.000 0.498 454 I N -1.262 119.192 120.570 -0.193 0.000 2.315 454 I HA -0.271 3.899 4.170 0.000 0.000 0.248 454 I C 1.699 177.602 176.117 -0.356 0.000 1.117 454 I CA 1.297 62.322 61.300 -0.458 0.000 1.404 454 I CB -0.366 37.230 38.000 -0.673 0.000 1.071 454 I HN 0.021 nan 8.210 nan 0.000 0.419 455 F N 0.710 120.486 119.950 -0.290 0.000 2.780 455 F HA 0.178 4.705 4.527 0.000 0.000 0.299 455 F C 1.863 177.548 175.800 -0.192 0.000 1.146 455 F CA 0.749 58.623 58.000 -0.211 0.000 1.428 455 F CB -0.165 38.696 39.000 -0.232 0.000 1.115 455 F HN 0.177 nan 8.300 nan 0.000 0.583 456 G N 0.063 108.743 108.800 -0.201 0.000 2.143 456 G HA2 -0.314 3.646 3.960 0.000 0.000 0.248 456 G HA3 -0.314 3.646 3.960 0.000 0.000 0.248 456 G C 1.023 175.428 174.900 -0.825 0.000 0.991 456 G CA 0.383 45.242 45.100 -0.402 0.000 0.689 456 G HN 0.298 nan 8.290 nan 0.000 0.522 457 L N 0.415 121.206 121.223 -0.720 0.000 2.137 457 L HA -0.027 4.313 4.340 0.000 0.000 0.213 457 L C 0.368 176.722 176.870 -0.860 0.000 1.085 457 L CA 2.757 57.105 54.840 -0.819 0.000 0.760 457 L CB -1.028 40.778 42.059 -0.423 0.000 0.893 457 L HN 0.243 nan 8.230 nan 0.000 0.434 458 P HA -0.117 nan 4.420 nan 0.000 0.231 458 P C 1.689 178.723 177.300 -0.443 0.000 1.158 458 P CA 0.970 63.464 63.100 -1.011 0.000 0.763 458 P CB -0.020 31.039 31.700 -1.069 0.000 0.805 459 L N -1.413 119.499 121.223 -0.518 0.000 2.376 459 L HA -0.014 4.327 4.340 0.000 0.000 0.219 459 L C 0.965 177.711 176.870 -0.207 0.000 1.133 459 L CA 0.607 55.251 54.840 -0.327 0.000 0.816 459 L CB -0.681 41.180 42.059 -0.331 0.000 0.933 459 L HN -0.020 nan 8.230 nan 0.000 0.449 460 D N 1.508 121.748 120.400 -0.266 0.000 2.374 460 D HA 0.066 4.706 4.640 0.000 0.000 0.240 460 D C -1.279 175.026 176.300 0.008 0.000 1.229 460 D CA -2.170 51.811 54.000 -0.032 0.000 0.895 460 D CB 1.265 42.088 40.800 0.037 0.000 1.046 460 D HN -0.022 nan 8.370 nan 0.000 0.498 461 P HA -0.188 nan 4.420 nan 0.000 0.218 461 P C 1.265 178.581 177.300 0.027 0.000 1.148 461 P CA 0.831 63.947 63.100 0.027 0.000 0.822 461 P CB 0.087 31.800 31.700 0.021 0.000 0.784 462 S N -0.613 115.102 115.700 0.024 0.000 2.500 462 S HA -0.075 4.395 4.470 0.000 0.000 0.239 462 S C 1.819 176.416 174.600 -0.005 0.000 0.989 462 S CA 0.578 58.783 58.200 0.008 0.000 0.951 462 S CB -1.322 61.884 63.200 0.010 0.000 0.759 462 S HN 0.125 nan 8.310 nan 0.000 0.523 463 L N 0.369 121.604 121.223 0.020 0.000 2.567 463 L HA 0.222 4.562 4.340 0.000 0.000 0.225 463 L C 0.334 177.126 176.870 -0.130 0.000 1.119 463 L CA -0.006 54.826 54.840 -0.014 0.000 0.871 463 L CB -0.559 41.575 42.059 0.126 0.000 1.036 463 L HN 0.248 nan 8.230 nan 0.000 0.459 464 N N -1.507 117.159 118.700 -0.057 0.000 2.818 464 N HA -0.217 4.523 4.740 0.000 0.000 0.250 464 N C -0.505 174.926 175.510 -0.133 0.000 1.108 464 N CA 0.780 53.773 53.050 -0.095 0.000 0.745 464 N CB -1.820 36.591 38.487 -0.127 0.000 1.104 464 N HN 0.263 nan 8.380 nan 0.000 0.557 465 Y N 0.889 121.174 120.300 -0.025 0.000 2.326 465 Y HA 0.195 4.745 4.550 -0.000 0.000 0.333 465 Y C 1.943 177.863 175.900 0.034 0.000 1.240 465 Y CA 0.182 58.292 58.100 0.016 0.000 1.365 465 Y CB 0.480 38.937 38.460 -0.004 0.000 1.289 465 Y HN 0.090 nan 8.280 nan 0.000 0.548 466 T N -2.389 112.307 114.554 0.238 0.000 2.802 466 T HA 0.018 4.368 4.350 0.000 0.000 0.305 466 T C 1.127 175.907 174.700 0.135 0.000 1.053 466 T CA -0.258 61.933 62.100 0.152 0.000 1.058 466 T CB 0.800 69.750 68.868 0.137 0.000 0.988 466 T HN 0.739 nan 8.240 nan 0.000 0.539 467 T N 1.503 116.106 114.554 0.082 0.000 2.821 467 T HA -0.068 4.282 4.350 0.000 0.000 0.267 467 T C 1.800 176.534 174.700 0.056 0.000 1.046 467 T CA 1.761 63.896 62.100 0.058 0.000 1.139 467 T CB -0.391 68.499 68.868 0.036 0.000 0.871 467 T HN 0.784 nan 8.240 nan 0.000 0.454 468 E N 1.407 121.636 120.200 0.049 0.000 2.110 468 E HA -0.108 4.242 4.350 0.000 0.000 0.193 468 E C 2.156 178.790 176.600 0.057 0.000 0.988 468 E CA 0.987 57.401 56.400 0.023 0.000 0.804 468 E CB -0.219 29.467 29.700 -0.024 0.000 0.745 468 E HN 0.546 nan 8.360 nan 0.000 0.458 469 E N 0.376 120.649 120.200 0.122 0.000 2.110 469 E HA -0.195 4.155 4.350 0.000 0.000 0.193 469 E C 2.137 178.865 176.600 0.214 0.000 0.988 469 E CA 0.787 57.350 56.400 0.271 0.000 0.804 469 E CB -0.027 29.951 29.700 0.463 0.000 0.745 469 E HN 0.115 nan 8.360 nan 0.000 0.458 470 R N 0.685 121.244 120.500 0.098 0.000 2.073 470 R HA -0.147 4.193 4.340 0.000 0.000 0.234 470 R C 2.241 178.550 176.300 0.015 0.000 1.134 470 R CA 1.325 57.428 56.100 0.006 0.000 0.952 470 R CB -0.226 30.069 30.300 -0.009 0.000 0.850 470 R HN 0.126 nan 8.270 nan 0.000 0.433 471 I N 0.443 121.040 120.570 0.044 0.000 2.286 471 I HA -0.267 3.903 4.170 0.000 0.000 0.248 471 I C 2.146 178.303 176.117 0.067 0.000 1.115 471 I CA 0.957 62.278 61.300 0.034 0.000 1.392 471 I CB -0.325 37.694 38.000 0.032 0.000 1.065 471 I HN 0.195 nan 8.210 nan 0.000 0.418 472 F N 1.894 121.801 119.950 -0.072 0.000 2.069 472 F HA -0.248 4.278 4.527 -0.002 0.000 0.298 472 F C 2.464 178.238 175.800 -0.043 0.000 1.113 472 F CA 1.393 59.337 58.000 -0.093 0.000 1.214 472 F CB -0.747 38.144 39.000 -0.182 0.000 0.978 472 F HN 0.032 nan 8.300 nan 0.000 0.474 473 A N 0.094 122.840 122.820 -0.123 0.000 1.978 473 A HA -0.237 4.083 4.320 0.000 0.000 0.220 473 A C 2.103 179.538 177.584 -0.247 0.000 1.170 473 A CA 1.872 53.771 52.037 -0.230 0.000 0.636 473 A CB -0.794 18.112 19.000 -0.157 0.000 0.810 473 A HN 0.672 nan 8.150 nan 0.000 0.448 474 Q N -1.104 118.593 119.800 -0.173 0.000 2.187 474 Q HA -0.068 4.272 4.340 0.000 0.000 0.199 474 Q C 2.299 178.181 176.000 -0.196 0.000 0.957 474 Q CA 1.005 56.716 55.803 -0.153 0.000 0.857 474 Q CB -0.154 28.525 28.738 -0.099 0.000 0.929 474 Q HN 0.645 nan 8.270 nan 0.000 0.453 475 R N 0.907 121.275 120.500 -0.221 0.000 2.073 475 R HA -0.105 4.236 4.340 0.000 0.000 0.234 475 R C 2.277 178.286 176.300 -0.485 0.000 1.134 475 R CA 1.144 57.041 56.100 -0.337 0.000 0.952 475 R CB -0.181 30.003 30.300 -0.194 0.000 0.850 475 R HN 0.229 nan 8.270 nan 0.000 0.433 476 L N -0.095 120.918 121.223 -0.350 0.000 2.046 476 L HA -0.212 4.128 4.340 0.000 0.000 0.208 476 L C 2.568 179.385 176.870 -0.088 0.000 1.077 476 L CA 1.392 56.120 54.840 -0.186 0.000 0.747 476 L CB -0.319 41.479 42.059 -0.435 0.000 0.896 476 L HN 0.296 nan 8.230 nan 0.000 0.432 477 M N -0.804 118.686 119.600 -0.183 0.000 2.149 477 M HA -0.205 4.275 4.480 0.000 0.000 0.261 477 M C 2.314 178.604 176.300 -0.018 0.000 1.064 477 M CA 1.567 56.802 55.300 -0.109 0.000 1.102 477 M CB -0.266 32.252 32.600 -0.138 0.000 1.369 477 M HN 0.075 nan 8.290 nan 0.000 0.408 478 K N -0.170 120.176 120.400 -0.090 0.000 2.002 478 K HA -0.149 4.171 4.320 0.000 0.000 0.209 478 K C 1.912 178.556 176.600 0.074 0.000 1.048 478 K CA 1.730 57.978 56.287 -0.066 0.000 0.930 478 K CB -0.548 31.849 32.500 -0.170 0.000 0.714 478 K HN 0.324 nan 8.250 nan 0.000 0.438 479 Y N -0.104 120.317 120.300 0.201 0.000 2.128 479 Y HA -0.238 4.314 4.550 0.003 0.000 0.284 479 Y C 2.465 178.486 175.900 0.202 0.000 1.154 479 Y CA 0.709 58.956 58.100 0.244 0.000 1.149 479 Y CB -0.897 37.855 38.460 0.485 0.000 0.976 479 Y HN 0.234 nan 8.280 nan 0.000 0.505 480 W N 0.788 122.165 121.300 0.128 0.000 2.332 480 W HA -0.266 4.393 4.660 -0.001 0.000 0.321 480 W C 2.637 179.151 176.519 -0.009 0.000 1.219 480 W CA 2.549 59.901 57.345 0.012 0.000 1.277 480 W CB -0.802 28.591 29.460 -0.112 0.000 1.161 480 W HN 0.246 nan 8.180 nan 0.000 0.476 481 T N -1.330 113.317 114.554 0.155 0.000 2.746 481 T HA -0.214 4.136 4.350 0.000 0.000 0.267 481 T C 1.470 176.184 174.700 0.023 0.000 1.039 481 T CA 1.510 63.636 62.100 0.042 0.000 1.142 481 T CB -0.832 68.045 68.868 0.014 0.000 0.866 481 T HN -0.068 nan 8.240 nan 0.000 0.444 482 N N 1.036 119.765 118.700 0.049 0.000 2.094 482 N HA -0.073 4.667 4.740 0.000 0.000 0.191 482 N C 1.386 176.876 175.510 -0.033 0.000 1.023 482 N CA 1.307 54.366 53.050 0.016 0.000 0.857 482 N CB -0.752 37.768 38.487 0.054 0.000 1.013 482 N HN 0.518 nan 8.380 nan 0.000 0.426 483 F N 1.419 121.271 119.950 -0.164 0.000 2.102 483 F HA -0.063 4.465 4.527 0.001 0.000 0.298 483 F C 2.184 177.886 175.800 -0.163 0.000 1.105 483 F CA 1.337 59.186 58.000 -0.251 0.000 1.239 483 F CB -0.549 38.207 39.000 -0.407 0.000 0.991 483 F HN 0.042 nan 8.300 nan 0.000 0.474 484 A N 0.642 123.355 122.820 -0.179 0.000 1.892 484 A HA -0.248 4.072 4.320 0.000 0.000 0.218 484 A C 2.405 179.854 177.584 -0.224 0.000 1.188 484 A CA 1.979 53.896 52.037 -0.200 0.000 0.631 484 A CB -0.938 18.019 19.000 -0.071 0.000 0.822 484 A HN 0.450 nan 8.150 nan 0.000 0.447 485 R N -1.307 119.098 120.500 -0.157 0.000 2.091 485 R HA -0.125 4.215 4.340 0.000 0.000 0.238 485 R C 1.813 178.015 176.300 -0.163 0.000 1.136 485 R CA 1.992 58.017 56.100 -0.126 0.000 0.959 485 R CB -0.140 30.113 30.300 -0.078 0.000 0.856 485 R HN 0.761 nan 8.270 nan 0.000 0.437 486 T N -6.292 108.131 114.554 -0.219 0.000 3.080 486 T HA 0.214 4.564 4.350 0.000 0.000 0.280 486 T C 0.897 175.454 174.700 -0.240 0.000 0.926 486 T CA 0.364 62.355 62.100 -0.182 0.000 0.883 486 T CB 1.314 70.113 68.868 -0.115 0.000 1.194 486 T HN 0.305 nan 8.240 nan 0.000 0.541 487 G N 1.497 110.015 108.800 -0.470 0.000 2.160 487 G HA2 -0.147 3.813 3.960 0.000 0.000 0.251 487 G HA3 -0.147 3.813 3.960 0.000 0.000 0.251 487 G C -0.396 174.382 174.900 -0.203 0.000 1.008 487 G CA 0.256 45.005 45.100 -0.585 0.000 0.724 487 G HN 0.870 nan 8.290 nan 0.000 0.514 488 D N -1.108 119.170 120.400 -0.204 0.000 2.764 488 D HA 0.425 5.065 4.640 0.000 0.000 0.227 488 D C -1.276 174.861 176.300 -0.272 0.000 1.347 488 D CA -1.502 52.343 54.000 -0.258 0.000 0.953 488 D CB 1.831 42.566 40.800 -0.107 0.000 1.476 488 D HN -0.029 nan 8.370 nan 0.000 0.585 489 P HA -0.059 nan 4.420 nan 0.000 0.221 489 P C 0.166 177.474 177.300 0.014 0.000 1.150 489 P CA 0.191 63.117 63.100 -0.289 0.000 0.800 489 P CB 0.286 31.502 31.700 -0.806 0.000 0.787 490 N N 1.859 120.521 118.700 -0.063 0.000 2.454 490 N HA -0.032 4.708 4.740 0.000 0.000 0.254 490 N C 0.180 175.761 175.510 0.119 0.000 1.228 490 N CA 0.694 53.814 53.050 0.117 0.000 0.900 490 N CB 0.091 38.637 38.487 0.098 0.000 1.089 490 N HN 0.051 nan 8.380 nan 0.000 0.449 491 D N 2.187 122.682 120.400 0.159 0.000 2.343 491 D HA 0.120 4.760 4.640 0.000 0.000 0.255 491 D C -1.449 174.895 176.300 0.074 0.000 1.187 491 D CA -1.615 52.444 54.000 0.099 0.000 0.875 491 D CB 1.232 42.087 40.800 0.092 0.000 1.136 491 D HN 0.275 nan 8.370 nan 0.000 0.469 492 P HA -0.068 nan 4.420 nan 0.000 0.216 492 P C 1.285 178.609 177.300 0.039 0.000 1.153 492 P CA 0.711 63.836 63.100 0.040 0.000 0.844 492 P CB 0.467 32.182 31.700 0.024 0.000 0.787 493 R N 0.739 121.259 120.500 0.034 0.000 2.107 493 R HA -0.079 4.261 4.340 0.000 0.000 0.223 493 R C 0.730 177.053 176.300 0.038 0.000 1.138 493 R CA 1.531 57.649 56.100 0.031 0.000 0.900 493 R CB -1.599 28.716 30.300 0.024 0.000 0.814 493 R HN -0.032 nan 8.270 nan 0.000 0.437 494 D N 0.220 120.645 120.400 0.042 0.000 2.482 494 D HA -0.010 4.630 4.640 0.000 0.000 0.244 494 D C -0.280 176.059 176.300 0.066 0.000 1.242 494 D CA 0.319 54.348 54.000 0.049 0.000 1.097 494 D CB 0.158 40.986 40.800 0.046 0.000 1.109 494 D HN 0.404 nan 8.370 nan 0.000 0.510 495 S N 1.814 117.550 115.700 0.060 0.000 2.540 495 S HA 0.099 4.569 4.470 0.000 0.000 0.218 495 S C 1.495 176.133 174.600 0.064 0.000 0.977 495 S CA -0.420 57.822 58.200 0.069 0.000 0.918 495 S CB 0.366 63.603 63.200 0.061 0.000 0.806 495 S HN 0.275 nan 8.310 nan 0.000 0.496 496 K N 2.604 123.037 120.400 0.055 0.000 1.985 496 K HA -0.020 4.300 4.320 0.000 0.000 0.210 496 K C 0.990 177.625 176.600 0.058 0.000 1.047 496 K CA 1.242 57.558 56.287 0.049 0.000 0.932 496 K CB -0.461 32.063 32.500 0.040 0.000 0.716 496 K HN 0.556 nan 8.250 nan 0.000 0.439 497 S N 2.925 118.665 115.700 0.067 0.000 2.558 497 S HA 0.066 4.536 4.470 0.000 0.000 0.288 497 S C -2.218 172.442 174.600 0.099 0.000 1.318 497 S CA -1.390 56.858 58.200 0.080 0.000 1.056 497 S CB -0.049 63.207 63.200 0.093 0.000 0.853 497 S HN 0.064 nan 8.310 nan 0.000 0.505 498 P HA -0.008 nan 4.420 nan 0.000 0.266 498 P C -0.489 176.890 177.300 0.132 0.000 1.186 498 P CA 0.143 63.298 63.100 0.091 0.000 0.767 498 P CB 0.367 32.107 31.700 0.066 0.000 0.820 499 Q N 0.604 120.486 119.800 0.136 0.000 2.205 499 Q HA 0.226 4.566 4.340 0.000 0.000 0.249 499 Q C -0.584 175.568 176.000 0.253 0.000 0.948 499 Q CA -0.134 55.785 55.803 0.193 0.000 0.895 499 Q CB 1.332 30.171 28.738 0.169 0.000 1.249 499 Q HN 0.579 nan 8.270 nan 0.000 0.458 500 W N 4.695 126.048 121.300 0.089 0.000 2.283 500 W HA 0.365 5.025 4.660 -0.001 0.000 0.317 500 W C -2.559 174.100 176.519 0.234 0.000 1.042 500 W CA -2.638 54.773 57.345 0.110 0.000 1.348 500 W CB 0.399 29.866 29.460 0.011 0.000 1.216 500 W HN 0.367 nan 8.180 nan 0.000 0.404 501 P HA 0.246 nan 4.420 nan 0.000 0.274 501 P C -2.539 174.919 177.300 0.263 0.000 1.231 501 P CA -1.358 61.935 63.100 0.323 0.000 0.790 501 P CB 0.378 32.193 31.700 0.192 0.000 0.951 502 P HA 0.084 nan 4.420 nan 0.000 0.272 502 P C -0.796 176.481 177.300 -0.039 0.000 1.223 502 P CA -0.008 62.875 63.100 -0.361 0.000 0.784 502 P CB 0.131 31.586 31.700 -0.409 0.000 0.923 503 Y N 2.530 122.769 120.300 -0.102 0.000 2.377 503 Y HA 0.332 4.886 4.550 0.007 0.000 0.330 503 Y C 0.377 176.263 175.900 -0.022 0.000 1.108 503 Y CA 0.554 58.661 58.100 0.012 0.000 1.308 503 Y CB 0.219 38.712 38.460 0.055 0.000 1.216 503 Y HN 0.361 nan 8.280 nan 0.000 0.518 504 T N 0.748 115.047 114.554 -0.424 0.000 2.916 504 T HA 0.266 4.616 4.350 0.000 0.000 0.292 504 T C 0.864 175.340 174.700 -0.373 0.000 1.055 504 T CA -0.319 61.624 62.100 -0.261 0.000 1.009 504 T CB 1.469 70.249 68.868 -0.147 0.000 1.118 504 T HN 0.618 nan 8.240 nan 0.000 0.497 505 T N 1.555 116.033 114.554 -0.128 0.000 2.624 505 T HA -0.157 4.193 4.350 0.000 0.000 0.268 505 T C 2.305 176.942 174.700 -0.105 0.000 1.041 505 T CA 1.869 63.930 62.100 -0.066 0.000 1.159 505 T CB -0.891 67.978 68.868 0.000 0.000 0.863 505 T HN 0.862 nan 8.240 nan 0.000 0.434 506 A N 1.545 124.308 122.820 -0.095 0.000 1.828 506 A HA 0.260 4.580 4.320 0.000 0.000 0.215 506 A C 2.595 180.122 177.584 -0.095 0.000 1.203 506 A CA 1.863 53.858 52.037 -0.070 0.000 0.614 506 A CB -1.185 17.785 19.000 -0.049 0.000 0.844 506 A HN 0.552 nan 8.150 nan 0.000 0.445 507 A N -1.782 120.960 122.820 -0.130 0.000 2.132 507 A HA 0.235 4.556 4.320 0.000 0.000 0.213 507 A C 0.847 178.336 177.584 -0.158 0.000 1.154 507 A CA 0.805 52.776 52.037 -0.109 0.000 0.753 507 A CB -0.440 18.514 19.000 -0.076 0.000 0.826 507 A HN 0.636 nan 8.150 nan 0.000 0.469 508 Q N 0.269 119.840 119.800 -0.382 0.000 2.423 508 Q HA -0.224 4.116 4.340 0.000 0.000 0.332 508 Q C -0.800 175.156 176.000 -0.074 0.000 1.355 508 Q CA 0.709 56.158 55.803 -0.590 0.000 0.947 508 Q CB -1.699 26.935 28.738 -0.173 0.000 1.189 508 Q HN 0.812 nan 8.270 nan 0.000 0.418 509 Q N 0.714 120.483 119.800 -0.052 0.000 2.261 509 Q HA 0.529 4.869 4.340 0.000 0.000 0.252 509 Q C -0.401 175.832 176.000 0.388 0.000 0.915 509 Q CA -0.278 55.599 55.803 0.123 0.000 0.915 509 Q CB 0.749 29.519 28.738 0.052 0.000 1.204 509 Q HN 0.400 nan 8.270 nan 0.000 0.421 510 Y N -1.741 118.682 120.300 0.205 0.000 2.615 510 Y HA 0.723 5.282 4.550 0.015 0.000 0.341 510 Y C -0.820 175.093 175.900 0.021 0.000 1.089 510 Y CA -1.512 56.710 58.100 0.204 0.000 1.049 510 Y CB 0.562 39.145 38.460 0.205 0.000 1.296 510 Y HN 0.357 nan 8.280 nan 0.000 0.470 511 V N -0.329 119.529 119.914 -0.094 0.000 2.850 511 V HA 0.814 4.934 4.120 0.000 0.000 0.315 511 V C -0.127 175.915 176.094 -0.086 0.000 1.064 511 V CA -0.619 61.487 62.300 -0.323 0.000 0.979 511 V CB 1.253 32.616 31.823 -0.766 0.000 1.039 511 V HN 1.096 nan 8.190 nan 0.000 0.452 512 S N 3.257 118.902 115.700 -0.091 0.000 2.475 512 S HA 0.699 5.169 4.470 0.000 0.000 0.281 512 S C -0.502 174.078 174.600 -0.033 0.000 1.198 512 S CA -0.685 57.526 58.200 0.017 0.000 1.063 512 S CB 0.534 63.738 63.200 0.006 0.000 0.972 512 S HN 0.724 nan 8.310 nan 0.000 0.486 513 L N 4.238 125.484 121.223 0.040 0.000 2.262 513 L HA 0.532 4.872 4.340 0.000 0.000 0.288 513 L C -0.117 176.666 176.870 -0.145 0.000 1.035 513 L CA -0.431 54.442 54.840 0.055 0.000 0.820 513 L CB -0.116 42.056 42.059 0.188 0.000 1.204 513 L HN 0.935 nan 8.230 nan 0.000 0.424 514 N N 2.018 120.587 118.700 -0.219 0.000 3.449 514 N HA 0.360 5.100 4.740 0.000 0.000 0.312 514 N C 0.239 175.271 175.510 -0.798 0.000 1.582 514 N CA -0.988 51.671 53.050 -0.651 0.000 0.850 514 N CB 0.625 38.895 38.487 -0.361 0.000 1.822 514 N HN 0.184 nan 8.380 nan 0.000 0.577 515 L N -0.747 119.989 121.223 -0.811 0.000 2.093 515 L HA 0.047 4.387 4.340 0.000 0.000 0.208 515 L C 0.556 177.274 176.870 -0.253 0.000 1.085 515 L CA 1.036 55.518 54.840 -0.597 0.000 0.755 515 L CB -0.589 41.183 42.059 -0.479 0.000 0.904 515 L HN 0.422 nan 8.230 nan 0.000 0.435 516 K N 0.320 120.607 120.400 -0.188 0.000 2.336 516 K HA 0.111 4.431 4.320 0.000 0.000 0.262 516 K C -2.168 174.406 176.600 -0.044 0.000 0.992 516 K CA -1.438 54.794 56.287 -0.091 0.000 0.927 516 K CB -0.243 32.211 32.500 -0.077 0.000 0.956 516 K HN -0.140 nan 8.250 nan 0.000 0.495 517 P HA 0.004 nan 4.420 nan 0.000 0.272 517 P C -0.408 176.907 177.300 0.025 0.000 1.240 517 P CA -0.349 62.773 63.100 0.036 0.000 0.791 517 P CB 0.406 32.128 31.700 0.037 0.000 0.978 518 L N 1.043 122.298 121.223 0.053 0.000 2.678 518 L HA -0.102 4.238 4.340 0.000 0.000 0.285 518 L C 1.112 177.959 176.870 -0.037 0.000 1.233 518 L CA 0.937 55.769 54.840 -0.014 0.000 0.920 518 L CB -0.403 41.645 42.059 -0.018 0.000 1.176 518 L HN 0.510 nan 8.230 nan 0.000 0.495 519 E N 3.416 123.572 120.200 -0.074 0.000 2.171 519 E HA 0.416 4.766 4.350 0.000 0.000 0.271 519 E C -1.324 175.196 176.600 -0.135 0.000 0.916 519 E CA -0.791 55.562 56.400 -0.079 0.000 0.774 519 E CB 2.003 31.665 29.700 -0.065 0.000 1.128 519 E HN 0.302 nan 8.360 nan 0.000 0.403 520 V N 5.239 125.078 119.914 -0.124 0.000 2.465 520 V HA 0.417 4.537 4.120 0.000 0.000 0.279 520 V C 0.200 176.147 176.094 -0.244 0.000 1.045 520 V CA -0.344 61.851 62.300 -0.175 0.000 0.938 520 V CB 1.125 32.896 31.823 -0.086 0.000 0.986 520 V HN 0.682 nan 8.190 nan 0.000 0.467 521 R N 4.303 124.516 120.500 -0.479 0.000 2.854 521 R HA 0.710 5.050 4.340 0.000 0.000 0.271 521 R C -0.952 175.068 176.300 -0.467 0.000 0.996 521 R CA -1.050 54.731 56.100 -0.532 0.000 0.961 521 R CB 2.427 32.288 30.300 -0.732 0.000 1.182 521 R HN 0.557 nan 8.270 nan 0.000 0.479 522 R N 0.076 120.489 120.500 -0.146 0.000 2.445 522 R HA 0.489 4.829 4.340 0.000 0.000 0.308 522 R C -0.454 175.993 176.300 0.245 0.000 0.961 522 R CA -0.406 55.722 56.100 0.047 0.000 0.862 522 R CB 2.066 32.380 30.300 0.023 0.000 1.144 522 R HN 0.935 nan 8.270 nan 0.000 0.447 523 G N 2.540 111.566 108.800 0.377 0.000 3.405 523 G HA2 -0.190 3.770 3.960 0.000 0.000 0.676 523 G HA3 -0.190 3.770 3.960 0.000 0.000 0.676 523 G C -1.041 174.085 174.900 0.377 0.000 1.039 523 G CA -0.992 44.308 45.100 0.334 0.000 0.855 523 G HN 0.347 nan 8.290 nan 0.000 0.443 524 L N 4.323 125.677 121.223 0.219 0.000 2.401 524 L HA 0.432 4.772 4.340 0.000 0.000 0.283 524 L C 1.658 178.560 176.870 0.054 0.000 1.151 524 L CA -0.197 54.617 54.840 -0.043 0.000 0.942 524 L CB -0.413 41.579 42.059 -0.111 0.000 1.283 524 L HN 0.712 nan 8.230 nan 0.000 0.442 525 R N 2.535 123.091 120.500 0.094 0.000 3.225 525 R HA -0.276 4.064 4.340 0.000 0.000 0.245 525 R C 1.330 177.728 176.300 0.163 0.000 0.928 525 R CA 0.700 56.886 56.100 0.144 0.000 0.632 525 R CB -1.921 28.473 30.300 0.156 0.000 1.038 525 R HN 0.716 nan 8.270 nan 0.000 0.461 526 A N 0.686 123.601 122.820 0.158 0.000 1.858 526 A HA -0.230 4.090 4.320 0.000 0.000 0.216 526 A C 2.064 179.738 177.584 0.149 0.000 1.190 526 A CA 1.173 53.301 52.037 0.152 0.000 0.617 526 A CB -0.113 18.972 19.000 0.141 0.000 0.827 526 A HN 0.416 nan 8.150 nan 0.000 0.443 527 Q N -0.581 119.304 119.800 0.142 0.000 2.061 527 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 527 Q C 2.244 178.346 176.000 0.171 0.000 0.984 527 Q CA 2.177 58.063 55.803 0.139 0.000 0.846 527 Q CB -1.200 27.611 28.738 0.123 0.000 0.902 527 Q HN 0.645 nan 8.270 nan 0.000 0.421 528 T N 0.574 115.260 114.554 0.219 0.000 2.821 528 T HA -0.114 4.236 4.350 0.000 0.000 0.267 528 T C 2.005 176.916 174.700 0.352 0.000 1.046 528 T CA 1.119 63.374 62.100 0.258 0.000 1.139 528 T CB -0.233 68.856 68.868 0.369 0.000 0.871 528 T HN 0.337 nan 8.240 nan 0.000 0.454 529 c N 1.607 120.400 118.600 0.322 0.000 2.448 529 c HA 0.217 4.787 4.570 0.000 0.000 0.280 529 c C 3.089 177.329 174.090 0.250 0.000 1.398 529 c CA -0.019 56.510 56.329 0.332 0.000 1.774 529 c CB -1.417 41.225 42.510 0.220 0.000 1.888 529 c HN 0.633 nan 8.230 nan 0.000 0.519 530 A N 0.200 123.134 122.820 0.189 0.000 1.972 530 A HA -0.189 4.131 4.320 0.000 0.000 0.219 530 A C 1.841 179.510 177.584 0.143 0.000 1.169 530 A CA 1.596 53.720 52.037 0.144 0.000 0.635 530 A CB -0.695 18.374 19.000 0.116 0.000 0.810 530 A HN 0.573 nan 8.150 nan 0.000 0.446 531 F N -0.891 119.032 119.950 -0.045 0.000 2.084 531 F HA -0.100 4.426 4.527 -0.001 0.000 0.296 531 F C 1.949 177.692 175.800 -0.095 0.000 1.111 531 F CA 1.526 59.420 58.000 -0.176 0.000 1.224 531 F CB -0.653 37.986 39.000 -0.601 0.000 0.991 531 F HN 0.354 nan 8.300 nan 0.000 0.471 532 W N 0.919 122.129 121.300 -0.150 0.000 2.379 532 W HA -0.156 4.502 4.660 -0.003 0.000 0.307 532 W C 2.196 178.632 176.519 -0.139 0.000 1.200 532 W CA 1.127 58.349 57.345 -0.205 0.000 1.297 532 W CB -0.678 28.813 29.460 0.052 0.000 1.140 532 W HN -0.015 nan 8.180 nan 0.000 0.507 533 N N -0.319 118.497 118.700 0.193 0.000 2.416 533 N HA 0.021 4.761 4.740 0.000 0.000 0.177 533 N C 1.442 176.979 175.510 0.047 0.000 1.036 533 N CA 0.944 54.058 53.050 0.106 0.000 0.901 533 N CB -0.147 38.404 38.487 0.107 0.000 0.976 533 N HN 0.261 nan 8.380 nan 0.000 0.444 534 R N -1.282 119.241 120.500 0.039 0.000 2.197 534 R HA 0.239 4.579 4.340 0.000 0.000 0.188 534 R C 1.534 177.852 176.300 0.030 0.000 1.015 534 R CA -0.133 55.992 56.100 0.042 0.000 1.132 534 R CB -0.344 30.005 30.300 0.082 0.000 1.134 534 R HN -0.005 nan 8.270 nan 0.000 0.560 535 F N 1.622 121.484 119.950 -0.147 0.000 2.074 535 F HA -0.033 4.495 4.527 0.001 0.000 0.293 535 F C 1.925 177.569 175.800 -0.260 0.000 1.116 535 F CA 1.119 59.015 58.000 -0.173 0.000 1.212 535 F CB -0.456 38.462 39.000 -0.137 0.000 0.998 535 F HN -0.091 nan 8.300 nan 0.000 0.471 536 L N 0.766 121.662 121.223 -0.545 0.000 2.021 536 L HA -0.202 4.138 4.340 0.000 0.000 0.215 536 L C -0.809 175.818 176.870 -0.404 0.000 1.074 536 L CA 2.173 56.646 54.840 -0.612 0.000 0.760 536 L CB -1.592 40.124 42.059 -0.570 0.000 0.889 536 L HN 0.069 nan 8.230 nan 0.000 0.433 537 P HA -0.218 nan 4.420 nan 0.000 0.213 537 P C 1.321 178.496 177.300 -0.207 0.000 1.170 537 P CA 1.710 64.708 63.100 -0.170 0.000 0.902 537 P CB -0.058 31.579 31.700 -0.104 0.000 0.789 538 K N -0.925 119.334 120.400 -0.234 0.000 2.160 538 K HA -0.163 4.157 4.320 0.000 0.000 0.206 538 K C 1.782 178.190 176.600 -0.319 0.000 1.047 538 K CA 0.924 57.072 56.287 -0.232 0.000 0.930 538 K CB -0.885 31.501 32.500 -0.190 0.000 0.720 538 K HN 0.040 nan 8.250 nan 0.000 0.450 539 L N 1.086 121.994 121.223 -0.525 0.000 2.633 539 L HA 0.015 4.355 4.340 0.000 0.000 0.235 539 L C -0.141 176.575 176.870 -0.256 0.000 1.163 539 L CA 1.160 55.701 54.840 -0.497 0.000 0.859 539 L CB -0.209 41.432 42.059 -0.696 0.000 0.973 539 L HN 0.016 nan 8.230 nan 0.000 0.451 540 L N -0.992 120.107 121.223 -0.206 0.000 2.313 540 L HA 0.513 4.853 4.340 0.000 0.000 0.283 540 L C 0.418 177.231 176.870 -0.094 0.000 1.013 540 L CA -0.388 54.376 54.840 -0.126 0.000 0.816 540 L CB 1.418 43.413 42.059 -0.106 0.000 1.236 540 L HN -0.080 nan 8.230 nan 0.000 0.419 541 S N 1.817 117.475 115.700 -0.071 0.000 4.703 541 S HA 0.383 4.853 4.470 0.000 0.000 0.037 541 S C -0.841 173.730 174.600 -0.049 0.000 0.861 541 S CA 0.065 58.229 58.200 -0.060 0.000 0.893 541 S CB -0.288 62.866 63.200 -0.078 0.000 0.338 541 S HN 1.023 nan 8.310 nan 0.000 0.804 542 A N 0.587 123.383 122.820 -0.040 0.000 2.599 542 A HA 0.801 5.121 4.320 0.000 0.000 0.294 542 A C -0.495 177.074 177.584 -0.025 0.000 1.055 542 A CA 0.024 52.043 52.037 -0.030 0.000 0.683 542 A CB 1.682 20.664 19.000 -0.030 0.000 1.278 542 A HN 0.638 nan 8.150 nan 0.000 0.412 543 T N 0.304 114.847 114.554 -0.019 0.000 3.008 543 T HA 0.664 5.014 4.350 0.000 0.000 0.328 543 T C 0.180 174.873 174.700 -0.013 0.000 1.020 543 T CA 0.901 62.992 62.100 -0.016 0.000 1.043 543 T CB 0.366 69.225 68.868 -0.014 0.000 1.010 543 T HN 2.323 nan 8.240 nan 0.000 0.466 544 A N 3.557 126.369 122.820 -0.013 0.000 2.382 544 A HA 0.174 4.494 4.320 0.000 0.000 0.200 544 A C 1.285 178.862 177.584 -0.010 0.000 2.697 544 A CA 0.507 52.538 52.037 -0.010 0.000 1.451 544 A CB -0.642 18.353 19.000 -0.008 0.000 0.806 544 A HN 0.631 nan 8.150 nan 0.000 0.468 545 T N -0.060 114.487 114.554 -0.012 0.000 4.971 545 T HA 0.430 4.780 4.350 0.000 0.000 0.217 545 T C 0.592 175.285 174.700 -0.012 0.000 0.770 545 T CA 1.400 63.493 62.100 -0.011 0.000 2.187 545 T CB -0.170 68.691 68.868 -0.012 0.000 1.552 545 T HN 1.295 nan 8.240 nan 0.000 0.277 546 E N 0.000 120.192 120.200 -0.013 0.000 2.725 546 E HA 0.000 4.350 4.350 0.000 0.000 0.291 546 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 546 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 546 E HN 0.000 nan 8.360 nan 0.000 0.440