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 2d0u_1_A DATA FIRST_RESID 12 DATA SEQUENCE SKEYHIDEEV GFALPNPQEN LPDFYNDWMF IAKHLPDLIE SGQLRERVEK DATA SEQUENCE LNMLSIDHLT DHKSQRLARL VLGCITMAYV WGKGHGDVRK VLPRNIAVPY DATA SEQUENCE CQLSKKLELP PILVYADCVL ANWKKKDPNK PLTYENMDVL FSFRDGDCSK DATA SEQUENCE GFFLVSLLVE IAAASAIKVI PTVFKAMQMQ ERDTLLKALL EIASCLEKAL DATA SEQUENCE QVFHQIHDHV NPKAFFSVLR IYLSGWKGNP QLSDGLVYEG FWEDPKEFAG DATA SEQUENCE GSAGQSSVFQ CFDVLLGIQQ TAGGGHAAQF LQDMRRYMPP AHRNFLCSLE DATA SEQUENCE SNPSVREFVL SKGDAGLREA YDACVKALVS LRSYHLQIVT KYILIPASQX DATA SEQUENCE XXXXXXXXXX XXXXXXXXGG TDLMNFLKTV RSTTEKSLLK EG 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.691 174.600 0.152 0.000 1.055 12 S CA 0.000 58.347 58.200 0.245 0.000 1.107 12 S CB 0.000 63.327 63.200 0.212 0.000 0.593 13 K N 1.161 121.633 120.400 0.120 0.000 2.829 13 K HA 0.192 4.511 4.320 -0.001 0.000 0.302 13 K C 0.681 177.234 176.600 -0.078 0.000 1.028 13 K CA -0.535 55.723 56.287 -0.048 0.000 1.054 13 K CB 0.063 32.464 32.500 -0.165 0.000 1.279 13 K HN 0.632 nan 8.250 nan 0.000 0.485 14 E N 1.014 121.131 120.200 -0.139 0.000 2.506 14 E HA -0.118 4.231 4.350 -0.001 0.000 0.210 14 E C -0.116 176.536 176.600 0.087 0.000 1.325 14 E CA 0.642 57.009 56.400 -0.055 0.000 1.273 14 E CB -0.976 28.689 29.700 -0.058 0.000 1.276 14 E HN 0.404 nan 8.360 nan 0.000 0.442 15 Y N 0.595 121.003 120.300 0.181 0.000 2.542 15 Y HA 0.009 4.558 4.550 -0.001 0.000 0.326 15 Y C -0.089 176.001 175.900 0.317 0.000 1.218 15 Y CA 0.259 58.495 58.100 0.227 0.000 1.277 15 Y CB -1.019 37.551 38.460 0.183 0.000 1.064 15 Y HN 0.269 nan 8.280 nan 0.000 0.499 16 H N -1.064 118.087 119.070 0.135 0.000 2.750 16 H HA -0.154 4.401 4.556 -0.002 0.000 0.327 16 H C -0.744 174.688 175.328 0.175 0.000 1.199 16 H CA 0.318 56.439 56.048 0.122 0.000 1.149 16 H CB -2.042 27.769 29.762 0.081 0.000 1.543 16 H HN 0.314 nan 8.280 nan 0.000 0.427 17 I N 0.848 121.471 120.570 0.089 0.000 2.476 17 I HA 0.126 4.295 4.170 -0.001 0.000 0.281 17 I C 0.313 176.370 176.117 -0.100 0.000 1.040 17 I CA -0.645 60.580 61.300 -0.126 0.000 1.094 17 I CB 1.334 39.059 38.000 -0.457 0.000 1.219 17 I HN 0.283 nan 8.210 nan 0.000 0.450 18 D N 5.223 125.591 120.400 -0.054 0.000 2.399 18 D HA -0.030 4.609 4.640 -0.001 0.000 0.241 18 D C 0.870 177.134 176.300 -0.061 0.000 1.133 18 D CA 0.301 54.284 54.000 -0.029 0.000 0.890 18 D CB 1.628 42.443 40.800 0.026 0.000 1.201 18 D HN 0.657 nan 8.370 nan 0.000 0.432 19 E N 1.413 121.591 120.200 -0.037 0.000 2.152 19 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 19 E C 1.590 178.173 176.600 -0.029 0.000 0.983 19 E CA 1.066 57.444 56.400 -0.037 0.000 0.818 19 E CB 0.208 29.896 29.700 -0.019 0.000 0.758 19 E HN 0.671 nan 8.360 nan 0.000 0.467 20 E N -1.131 119.061 120.200 -0.012 0.000 2.340 20 E HA -0.000 4.349 4.350 -0.001 0.000 0.198 20 E C 1.505 178.095 176.600 -0.017 0.000 0.961 20 E CA 0.327 56.723 56.400 -0.007 0.000 0.905 20 E CB 0.549 30.255 29.700 0.011 0.000 0.884 20 E HN 0.059 nan 8.360 nan 0.000 0.491 21 V N 0.336 120.243 119.914 -0.011 0.000 3.578 21 V HA 0.284 4.403 4.120 -0.001 0.000 0.290 21 V C 1.160 177.232 176.094 -0.036 0.000 1.376 21 V CA 0.717 63.002 62.300 -0.026 0.000 1.083 21 V CB 0.052 31.891 31.823 0.026 0.000 0.911 21 V HN 0.617 nan 8.190 nan 0.000 0.433 22 G N 1.069 109.819 108.800 -0.082 0.000 2.596 22 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.304 22 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.304 22 G C 0.494 175.262 174.900 -0.220 0.000 1.189 22 G CA 0.884 45.858 45.100 -0.209 0.000 0.986 22 G HN 0.263 nan 8.290 nan 0.000 0.548 23 F N 2.979 122.879 119.950 -0.083 0.000 2.661 23 F HA 0.515 5.041 4.527 -0.002 0.000 0.298 23 F C 2.253 178.145 175.800 0.153 0.000 1.137 23 F CA 0.871 58.803 58.000 -0.113 0.000 1.454 23 F CB -0.418 38.433 39.000 -0.249 0.000 1.103 23 F HN 0.659 nan 8.300 nan 0.000 0.577 24 A N 0.459 123.430 122.820 0.252 0.000 2.346 24 A HA 0.386 4.705 4.320 -0.001 0.000 0.252 24 A C -0.462 177.309 177.584 0.312 0.000 1.089 24 A CA -0.483 51.690 52.037 0.228 0.000 0.797 24 A CB 0.117 19.134 19.000 0.029 0.000 1.047 24 A HN 0.139 nan 8.150 nan 0.000 0.494 25 L N 2.240 123.696 121.223 0.388 0.000 2.319 25 L HA 0.429 4.768 4.340 -0.001 0.000 0.280 25 L C -2.225 174.899 176.870 0.423 0.000 1.099 25 L CA -1.631 53.415 54.840 0.343 0.000 0.828 25 L CB 0.720 42.930 42.059 0.252 0.000 1.150 25 L HN 0.346 nan 8.230 nan 0.000 0.442 26 P HA 0.137 nan 4.420 nan 0.000 0.276 26 P C -0.844 176.496 177.300 0.067 0.000 1.230 26 P CA -0.122 63.139 63.100 0.269 0.000 0.776 26 P CB 0.353 32.144 31.700 0.152 0.000 0.888 27 N N 1.444 120.102 118.700 -0.070 0.000 2.652 27 N HA -0.146 4.593 4.740 -0.001 0.000 0.281 27 N C -2.027 173.274 175.510 -0.349 0.000 1.084 27 N CA -0.158 52.711 53.050 -0.301 0.000 0.775 27 N CB -0.558 37.857 38.487 -0.121 0.000 0.923 27 N HN 0.240 nan 8.380 nan 0.000 0.558 28 P HA -0.036 nan 4.420 nan 0.000 0.272 28 P C -0.489 176.639 177.300 -0.287 0.000 1.223 28 P CA 0.024 62.888 63.100 -0.393 0.000 0.784 28 P CB 0.663 32.055 31.700 -0.513 0.000 0.923 29 Q N 1.044 120.743 119.800 -0.168 0.000 2.313 29 Q HA 0.020 4.359 4.340 -0.001 0.000 0.266 29 Q C 0.736 176.671 176.000 -0.109 0.000 0.989 29 Q CA 0.226 55.961 55.803 -0.112 0.000 0.890 29 Q CB 0.442 29.145 28.738 -0.057 0.000 1.200 29 Q HN 0.385 nan 8.270 nan 0.000 0.396 30 E N 2.204 122.343 120.200 -0.102 0.000 2.340 30 E HA 0.085 4.434 4.350 -0.001 0.000 0.198 30 E C -0.325 176.264 176.600 -0.019 0.000 0.961 30 E CA 0.150 56.489 56.400 -0.101 0.000 0.905 30 E CB 0.544 30.162 29.700 -0.137 0.000 0.884 30 E HN 0.532 nan 8.360 nan 0.000 0.491 31 N N 0.773 119.475 118.700 0.004 0.000 2.335 31 N HA 0.400 5.139 4.740 -0.001 0.000 0.304 31 N C -0.752 174.801 175.510 0.072 0.000 1.135 31 N CA -0.345 52.735 53.050 0.050 0.000 0.817 31 N CB 2.307 40.814 38.487 0.034 0.000 1.294 31 N HN -0.079 nan 8.380 nan 0.000 0.497 32 L N 0.906 122.197 121.223 0.114 0.000 2.304 32 L HA 0.555 4.895 4.340 -0.001 0.000 0.268 32 L C -2.113 174.867 176.870 0.182 0.000 1.010 32 L CA -1.970 52.958 54.840 0.146 0.000 0.813 32 L CB 1.476 43.637 42.059 0.170 0.000 1.315 32 L HN 0.193 nan 8.230 nan 0.000 0.445 33 P HA 0.044 nan 4.420 nan 0.000 0.268 33 P C -0.355 177.042 177.300 0.161 0.000 1.205 33 P CA -0.082 63.139 63.100 0.202 0.000 0.771 33 P CB 0.523 32.373 31.700 0.250 0.000 0.858 34 D N 1.107 121.546 120.400 0.065 0.000 2.220 34 D HA -0.238 4.401 4.640 -0.001 0.000 0.198 34 D C 1.211 177.469 176.300 -0.070 0.000 1.001 34 D CA 1.153 55.157 54.000 0.008 0.000 0.875 34 D CB -0.587 40.204 40.800 -0.015 0.000 0.921 34 D HN 0.423 nan 8.370 nan 0.000 0.454 35 F N -0.339 119.434 119.950 -0.295 0.000 2.271 35 F HA -0.233 4.293 4.527 -0.001 0.000 0.302 35 F C 0.872 176.236 175.800 -0.727 0.000 1.063 35 F CA 1.178 58.836 58.000 -0.571 0.000 1.362 35 F CB -0.129 38.357 39.000 -0.857 0.000 1.060 35 F HN 0.060 nan 8.300 nan 0.000 0.521 36 Y N -0.858 119.270 120.300 -0.286 0.000 2.636 36 Y HA 0.236 4.786 4.550 -0.001 0.000 0.260 36 Y C 1.537 177.298 175.900 -0.232 0.000 1.177 36 Y CA -0.361 57.453 58.100 -0.477 0.000 1.209 36 Y CB -1.252 36.993 38.460 -0.359 0.000 1.166 36 Y HN 0.049 nan 8.280 nan 0.000 0.531 37 N N 0.624 119.287 118.700 -0.062 0.000 2.192 37 N HA -0.216 4.523 4.740 -0.001 0.000 0.188 37 N C 0.890 176.453 175.510 0.089 0.000 1.013 37 N CA 1.435 54.505 53.050 0.032 0.000 0.863 37 N CB 0.037 38.511 38.487 -0.021 0.000 0.990 37 N HN 0.340 nan 8.380 nan 0.000 0.430 38 D N -0.049 120.348 120.400 -0.004 0.000 2.117 38 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 38 D C 1.573 178.064 176.300 0.319 0.000 0.987 38 D CA 0.817 54.881 54.000 0.106 0.000 0.829 38 D CB -0.183 40.620 40.800 0.005 0.000 0.961 38 D HN 0.361 nan 8.370 nan 0.000 0.460 39 W N 0.557 121.910 121.300 0.088 0.000 2.380 39 W HA -0.036 4.623 4.660 -0.001 0.000 0.317 39 W C 2.360 178.911 176.519 0.054 0.000 1.196 39 W CA 0.040 57.416 57.345 0.051 0.000 1.307 39 W CB -1.507 27.974 29.460 0.035 0.000 1.157 39 W HN 0.013 nan 8.180 nan 0.000 0.483 40 M N -0.067 119.745 119.600 0.352 0.000 2.088 40 M HA -0.262 4.217 4.480 -0.001 0.000 0.256 40 M C 2.220 178.690 176.300 0.284 0.000 1.071 40 M CA 1.747 57.210 55.300 0.270 0.000 1.097 40 M CB -1.675 31.084 32.600 0.264 0.000 1.315 40 M HN -0.004 nan 8.290 nan 0.000 0.406 41 F N 0.262 120.325 119.950 0.189 0.000 2.087 41 F HA -0.268 4.258 4.527 -0.001 0.000 0.299 41 F C 1.895 177.852 175.800 0.261 0.000 1.100 41 F CA 2.155 60.292 58.000 0.228 0.000 1.226 41 F CB -0.589 38.476 39.000 0.108 0.000 0.983 41 F HN 0.233 nan 8.300 nan 0.000 0.479 42 I N 0.210 120.813 120.570 0.054 0.000 2.142 42 I HA -0.315 3.854 4.170 -0.001 0.000 0.240 42 I C 2.754 178.814 176.117 -0.095 0.000 1.078 42 I CA 1.287 62.534 61.300 -0.088 0.000 1.343 42 I CB -1.183 36.840 38.000 0.039 0.000 1.046 42 I HN 0.267 nan 8.210 nan 0.000 0.405 43 A N 0.758 123.533 122.820 -0.076 0.000 1.865 43 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 43 A C 2.254 179.838 177.584 0.000 0.000 1.191 43 A CA 1.560 53.483 52.037 -0.191 0.000 0.623 43 A CB -0.422 18.274 19.000 -0.507 0.000 0.826 43 A HN 0.213 nan 8.150 nan 0.000 0.444 44 K N -0.633 119.832 120.400 0.110 0.000 2.360 44 K HA -0.106 4.214 4.320 -0.001 0.000 0.201 44 K C 0.259 176.644 176.600 -0.358 0.000 1.046 44 K CA 1.161 57.449 56.287 0.001 0.000 0.945 44 K CB -0.306 32.172 32.500 -0.038 0.000 0.750 44 K HN 0.768 nan 8.250 nan 0.000 0.464 45 H N -1.097 117.862 119.070 -0.184 0.000 2.567 45 H HA 0.123 4.678 4.556 -0.001 0.000 0.267 45 H C 0.944 176.175 175.328 -0.162 0.000 1.148 45 H CA -0.357 55.559 56.048 -0.220 0.000 1.031 45 H CB 0.395 29.895 29.762 -0.436 0.000 1.691 45 H HN -0.124 nan 8.280 nan 0.000 0.588 46 L N 1.639 122.837 121.223 -0.042 0.000 2.021 46 L HA -0.108 4.231 4.340 -0.001 0.000 0.215 46 L C -0.622 176.247 176.870 -0.003 0.000 1.074 46 L CA 1.940 56.766 54.840 -0.024 0.000 0.760 46 L CB -1.000 41.038 42.059 -0.035 0.000 0.889 46 L HN 0.255 nan 8.230 nan 0.000 0.433 47 P HA -0.134 nan 4.420 nan 0.000 0.216 47 P C 1.092 178.412 177.300 0.033 0.000 1.150 47 P CA 1.448 64.555 63.100 0.011 0.000 0.843 47 P CB 0.096 31.800 31.700 0.007 0.000 0.787 48 D N -1.234 119.188 120.400 0.037 0.000 2.085 48 D HA -0.043 4.596 4.640 -0.001 0.000 0.199 48 D C 2.015 178.342 176.300 0.044 0.000 0.981 48 D CA 0.899 54.930 54.000 0.052 0.000 0.834 48 D CB -0.795 40.051 40.800 0.077 0.000 0.992 48 D HN 0.038 nan 8.370 nan 0.000 0.457 49 L N 0.474 121.713 121.223 0.026 0.000 2.042 49 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 49 L C 2.520 179.418 176.870 0.046 0.000 1.076 49 L CA 0.818 55.674 54.840 0.027 0.000 0.749 49 L CB -0.440 41.620 42.059 0.001 0.000 0.893 49 L HN 0.089 nan 8.230 nan 0.000 0.432 50 I N -0.335 120.264 120.570 0.050 0.000 2.099 50 I HA -0.315 3.854 4.170 -0.001 0.000 0.239 50 I C 2.709 178.869 176.117 0.072 0.000 1.066 50 I CA 1.505 62.846 61.300 0.069 0.000 1.324 50 I CB -0.373 37.677 38.000 0.082 0.000 1.037 50 I HN 0.327 nan 8.210 nan 0.000 0.401 51 E N 0.773 121.015 120.200 0.070 0.000 2.085 51 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 51 E C 2.118 178.758 176.600 0.067 0.000 0.994 51 E CA 1.826 58.271 56.400 0.075 0.000 0.801 51 E CB 0.019 29.762 29.700 0.071 0.000 0.743 51 E HN 0.517 nan 8.360 nan 0.000 0.453 52 S N -1.057 114.679 115.700 0.059 0.000 2.603 52 S HA 0.101 4.570 4.470 -0.001 0.000 0.220 52 S C 1.368 175.999 174.600 0.051 0.000 0.967 52 S CA 0.653 58.884 58.200 0.053 0.000 0.920 52 S CB 0.286 63.517 63.200 0.051 0.000 0.773 52 S HN 0.424 nan 8.310 nan 0.000 0.529 53 G N 2.003 110.835 108.800 0.053 0.000 2.221 53 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.265 53 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.265 53 G C 0.335 175.261 174.900 0.044 0.000 1.041 53 G CA 0.462 45.590 45.100 0.047 0.000 0.807 53 G HN 0.786 nan 8.290 nan 0.000 0.502 54 Q N -1.298 118.533 119.800 0.051 0.000 2.189 54 Q HA 0.480 4.819 4.340 -0.001 0.000 0.223 54 Q C 2.102 178.144 176.000 0.070 0.000 0.828 54 Q CA 0.100 55.938 55.803 0.058 0.000 0.967 54 Q CB 0.263 29.040 28.738 0.064 0.000 1.139 54 Q HN 0.517 nan 8.270 nan 0.000 0.497 55 L N 1.836 123.098 121.223 0.065 0.000 1.956 55 L HA -0.186 4.153 4.340 -0.001 0.000 0.216 55 L C 2.367 179.308 176.870 0.119 0.000 1.073 55 L CA 2.012 56.901 54.840 0.081 0.000 0.762 55 L CB -0.307 41.798 42.059 0.076 0.000 0.889 55 L HN 0.065 nan 8.230 nan 0.000 0.433 56 R N -0.466 120.090 120.500 0.093 0.000 2.112 56 R HA -0.250 4.089 4.340 -0.001 0.000 0.242 56 R C 2.363 178.772 176.300 0.181 0.000 1.137 56 R CA 1.997 58.181 56.100 0.140 0.000 0.944 56 R CB -0.715 29.537 30.300 -0.080 0.000 0.857 56 R HN 0.618 nan 8.270 nan 0.000 0.435 57 E N 0.761 121.022 120.200 0.103 0.000 2.118 57 E HA -0.241 4.108 4.350 -0.001 0.000 0.195 57 E C 2.005 178.664 176.600 0.099 0.000 0.992 57 E CA 1.223 57.677 56.400 0.091 0.000 0.804 57 E CB 0.038 29.776 29.700 0.064 0.000 0.741 57 E HN 0.264 nan 8.360 nan 0.000 0.458 58 R N 0.145 120.710 120.500 0.108 0.000 2.075 58 R HA -0.093 4.246 4.340 -0.001 0.000 0.232 58 R C 2.538 178.900 176.300 0.104 0.000 1.126 58 R CA 1.207 57.375 56.100 0.114 0.000 0.963 58 R CB -0.360 30.024 30.300 0.141 0.000 0.858 58 R HN 0.150 nan 8.270 nan 0.000 0.435 59 V N 1.511 121.489 119.914 0.106 0.000 2.287 59 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 59 V C 1.895 177.992 176.094 0.004 0.000 1.053 59 V CA 1.922 64.240 62.300 0.031 0.000 1.027 59 V CB -0.476 31.330 31.823 -0.028 0.000 0.646 59 V HN 0.400 nan 8.190 nan 0.000 0.447 60 E N -0.337 119.895 120.200 0.053 0.000 2.333 60 E HA -0.237 4.112 4.350 -0.001 0.000 0.198 60 E C 1.893 178.515 176.600 0.036 0.000 1.007 60 E CA 0.855 57.279 56.400 0.040 0.000 0.845 60 E CB -0.099 29.655 29.700 0.091 0.000 0.766 60 E HN 0.405 nan 8.360 nan 0.000 0.507 61 K N 0.153 120.581 120.400 0.047 0.000 2.404 61 K HA 0.159 4.478 4.320 -0.001 0.000 0.194 61 K C 0.184 176.808 176.600 0.039 0.000 1.023 61 K CA -0.083 56.227 56.287 0.039 0.000 1.094 61 K CB 0.318 32.843 32.500 0.042 0.000 0.841 61 K HN -0.004 nan 8.250 nan 0.000 0.523 62 L N 1.616 122.869 121.223 0.050 0.000 2.483 62 L HA 0.010 4.349 4.340 -0.001 0.000 0.276 62 L C 0.314 177.219 176.870 0.058 0.000 1.213 62 L CA 0.183 55.066 54.840 0.072 0.000 0.843 62 L CB 0.394 42.521 42.059 0.113 0.000 1.107 62 L HN 0.260 nan 8.230 nan 0.000 0.487 63 N N 2.771 121.500 118.700 0.049 0.000 2.509 63 N HA 0.234 4.973 4.740 -0.001 0.000 0.287 63 N C -0.408 175.152 175.510 0.083 0.000 1.121 63 N CA -0.577 52.492 53.050 0.032 0.000 0.977 63 N CB 1.677 40.150 38.487 -0.023 0.000 1.167 63 N HN 0.532 nan 8.380 nan 0.000 0.476 64 M N 3.458 123.115 119.600 0.094 0.000 2.350 64 M HA 0.085 4.564 4.480 -0.001 0.000 0.338 64 M C -1.217 175.186 176.300 0.170 0.000 1.559 64 M CA -0.224 55.169 55.300 0.155 0.000 1.217 64 M CB -0.022 32.654 32.600 0.127 0.000 1.808 64 M HN 0.286 nan 8.290 nan 0.000 0.458 65 L N 3.821 125.191 121.223 0.244 0.000 2.399 65 L HA 0.400 4.739 4.340 -0.001 0.000 0.266 65 L C 0.360 177.469 176.870 0.399 0.000 1.114 65 L CA 0.351 55.306 54.840 0.192 0.000 0.804 65 L CB 1.687 43.633 42.059 -0.188 0.000 1.146 65 L HN 0.644 nan 8.230 nan 0.000 0.451 66 S N 1.451 117.430 115.700 0.466 0.000 2.610 66 S HA 0.404 4.873 4.470 -0.001 0.000 0.273 66 S C 1.120 175.986 174.600 0.443 0.000 1.274 66 S CA -0.617 57.789 58.200 0.344 0.000 1.023 66 S CB 0.456 63.748 63.200 0.154 0.000 0.962 66 S HN 0.518 nan 8.310 nan 0.000 0.523 67 I N 0.181 120.941 120.570 0.317 0.000 3.793 67 I HA 0.243 4.412 4.170 -0.001 0.000 0.315 67 I C 0.590 176.793 176.117 0.144 0.000 1.275 67 I CA 0.149 61.644 61.300 0.325 0.000 1.214 67 I CB -0.143 38.000 38.000 0.238 0.000 1.018 67 I HN 0.389 nan 8.210 nan 0.000 0.439 68 D N 1.676 122.041 120.400 -0.058 0.000 2.265 68 D HA -0.169 4.470 4.640 -0.001 0.000 0.208 68 D C 1.544 177.661 176.300 -0.305 0.000 0.977 68 D CA 1.238 55.098 54.000 -0.233 0.000 0.871 68 D CB -0.302 40.276 40.800 -0.369 0.000 0.925 68 D HN 0.600 nan 8.370 nan 0.000 0.485 69 H N -0.316 118.767 119.070 0.022 0.000 2.533 69 H HA 0.173 4.728 4.556 -0.002 0.000 0.271 69 H C 0.527 175.955 175.328 0.167 0.000 1.000 69 H CA 0.086 56.135 56.048 0.002 0.000 1.149 69 H CB 0.351 29.958 29.762 -0.258 0.000 1.375 69 H HN 0.103 nan 8.280 nan 0.000 0.582 70 L N 2.436 123.791 121.223 0.220 0.000 2.314 70 L HA 0.091 4.430 4.340 -0.001 0.000 0.275 70 L C 1.594 178.510 176.870 0.076 0.000 1.068 70 L CA -0.384 54.537 54.840 0.135 0.000 0.894 70 L CB 1.050 43.145 42.059 0.060 0.000 1.275 70 L HN 0.146 nan 8.230 nan 0.000 0.432 71 T N -2.145 112.453 114.554 0.072 0.000 2.732 71 T HA -0.063 4.286 4.350 -0.001 0.000 0.261 71 T C 0.659 175.390 174.700 0.051 0.000 1.040 71 T CA 0.495 62.624 62.100 0.049 0.000 1.145 71 T CB -0.092 68.802 68.868 0.043 0.000 0.866 71 T HN 0.562 nan 8.240 nan 0.000 0.427 72 D N 0.064 120.497 120.400 0.055 0.000 2.432 72 D HA 0.152 4.791 4.640 -0.001 0.000 0.258 72 D C 0.969 177.326 176.300 0.096 0.000 1.146 72 D CA -0.613 53.430 54.000 0.072 0.000 1.015 72 D CB 0.860 41.696 40.800 0.060 0.000 1.107 72 D HN 0.167 nan 8.370 nan 0.000 0.529 73 H N 0.206 119.292 119.070 0.026 0.000 2.270 73 H HA -0.084 4.471 4.556 -0.002 0.000 0.299 73 H C 1.763 177.109 175.328 0.029 0.000 1.077 73 H CA 2.169 58.238 56.048 0.036 0.000 1.294 73 H CB 0.172 29.969 29.762 0.058 0.000 1.371 73 H HN 0.335 nan 8.280 nan 0.000 0.491 74 K N -0.197 120.213 120.400 0.017 0.000 2.059 74 K HA -0.195 4.124 4.320 -0.001 0.000 0.212 74 K C 2.451 179.004 176.600 -0.078 0.000 1.050 74 K CA 1.872 58.125 56.287 -0.057 0.000 0.927 74 K CB -0.289 32.208 32.500 -0.006 0.000 0.714 74 K HN 0.479 nan 8.250 nan 0.000 0.447 75 S N 0.871 116.551 115.700 -0.033 0.000 2.399 75 S HA -0.200 4.269 4.470 -0.001 0.000 0.231 75 S C 1.946 176.517 174.600 -0.049 0.000 1.022 75 S CA 1.084 59.271 58.200 -0.021 0.000 0.983 75 S CB -0.187 63.023 63.200 0.017 0.000 0.803 75 S HN 0.319 nan 8.310 nan 0.000 0.480 76 Q N 0.281 120.036 119.800 -0.075 0.000 2.123 76 Q HA 0.112 4.452 4.340 -0.001 0.000 0.199 76 Q C 2.520 178.445 176.000 -0.125 0.000 0.966 76 Q CA 0.803 56.555 55.803 -0.085 0.000 0.845 76 Q CB -0.047 28.646 28.738 -0.075 0.000 0.907 76 Q HN 0.408 nan 8.270 nan 0.000 0.439 77 R N 0.586 120.961 120.500 -0.208 0.000 2.066 77 R HA -0.062 4.277 4.340 -0.001 0.000 0.232 77 R C 2.261 178.512 176.300 -0.082 0.000 1.131 77 R CA 0.783 56.778 56.100 -0.175 0.000 0.955 77 R CB -0.914 29.250 30.300 -0.226 0.000 0.851 77 R HN 0.325 nan 8.270 nan 0.000 0.432 78 L N 0.680 121.867 121.223 -0.060 0.000 1.990 78 L HA -0.242 4.097 4.340 -0.001 0.000 0.213 78 L C 2.373 179.230 176.870 -0.020 0.000 1.072 78 L CA 1.861 56.699 54.840 -0.003 0.000 0.755 78 L CB -0.572 41.499 42.059 0.019 0.000 0.889 78 L HN 0.188 nan 8.230 nan 0.000 0.432 79 A N -0.242 122.557 122.820 -0.035 0.000 1.884 79 A HA -0.281 4.038 4.320 -0.001 0.000 0.219 79 A C 2.274 179.794 177.584 -0.106 0.000 1.197 79 A CA 1.902 53.913 52.037 -0.043 0.000 0.637 79 A CB -0.693 18.297 19.000 -0.017 0.000 0.827 79 A HN 0.429 nan 8.150 nan 0.000 0.450 80 R N -1.255 119.213 120.500 -0.053 0.000 2.105 80 R HA -0.156 4.184 4.340 -0.001 0.000 0.239 80 R C 2.107 178.373 176.300 -0.057 0.000 1.135 80 R CA 1.550 57.656 56.100 0.010 0.000 0.967 80 R CB -0.852 29.466 30.300 0.030 0.000 0.861 80 R HN 0.542 nan 8.270 nan 0.000 0.442 81 L N 0.739 121.910 121.223 -0.087 0.000 1.994 81 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 81 L C 2.251 178.934 176.870 -0.311 0.000 1.071 81 L CA 1.552 56.320 54.840 -0.121 0.000 0.745 81 L CB -0.821 41.225 42.059 -0.022 0.000 0.892 81 L HN -0.141 nan 8.230 nan 0.000 0.431 82 V N 0.029 119.701 119.914 -0.403 0.000 2.231 82 V HA -0.347 3.772 4.120 -0.001 0.000 0.248 82 V C 2.662 178.431 176.094 -0.541 0.000 1.054 82 V CA 2.309 64.258 62.300 -0.584 0.000 1.015 82 V CB -0.643 30.955 31.823 -0.375 0.000 0.638 82 V HN 0.473 nan 8.190 nan 0.000 0.444 83 L N 0.108 120.962 121.223 -0.615 0.000 2.131 83 L HA -0.092 4.247 4.340 -0.001 0.000 0.210 83 L C 2.599 178.923 176.870 -0.911 0.000 1.092 83 L CA 1.563 55.869 54.840 -0.889 0.000 0.759 83 L CB -1.224 40.166 42.059 -1.115 0.000 0.903 83 L HN 0.501 nan 8.230 nan 0.000 0.435 84 G N -0.560 107.865 108.800 -0.624 0.000 2.453 84 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.215 84 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.215 84 G C 1.631 176.483 174.900 -0.080 0.000 1.201 84 G CA 0.933 45.874 45.100 -0.264 0.000 0.784 84 G HN 0.382 nan 8.290 nan 0.000 0.545 85 C N 0.420 119.662 119.300 -0.096 0.000 2.413 85 C HA -0.003 4.456 4.460 -0.001 0.000 0.276 85 C C 2.883 177.929 174.990 0.093 0.000 1.248 85 C CA 0.559 59.620 59.018 0.072 0.000 1.742 85 C CB -1.018 26.585 27.740 -0.229 0.000 2.017 85 C HN 0.465 nan 8.230 nan 0.000 0.481 86 I N 0.441 120.929 120.570 -0.136 0.000 2.179 86 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 86 I C 2.540 178.636 176.117 -0.036 0.000 1.088 86 I CA 1.764 62.995 61.300 -0.114 0.000 1.357 86 I CB -0.880 36.962 38.000 -0.264 0.000 1.051 86 I HN 0.337 nan 8.210 nan 0.000 0.409 87 T N 0.902 115.388 114.554 -0.114 0.000 2.720 87 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 87 T C 1.949 176.726 174.700 0.127 0.000 1.037 87 T CA 1.286 63.373 62.100 -0.020 0.000 1.144 87 T CB -0.106 68.770 68.868 0.014 0.000 0.864 87 T HN 0.145 nan 8.240 nan 0.000 0.444 88 M N 1.283 121.026 119.600 0.238 0.000 2.067 88 M HA 0.020 4.499 4.480 -0.001 0.000 0.260 88 M C 2.890 179.369 176.300 0.299 0.000 1.069 88 M CA 1.609 57.102 55.300 0.322 0.000 1.117 88 M CB -1.713 31.130 32.600 0.404 0.000 1.334 88 M HN 0.318 nan 8.290 nan 0.000 0.407 89 A N -0.713 122.300 122.820 0.321 0.000 1.892 89 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 89 A C 2.213 179.922 177.584 0.208 0.000 1.188 89 A CA 1.894 54.118 52.037 0.311 0.000 0.631 89 A CB -1.320 17.810 19.000 0.216 0.000 0.822 89 A HN 0.521 nan 8.150 nan 0.000 0.447 90 Y N 0.379 120.687 120.300 0.012 0.000 2.070 90 Y HA -0.205 4.344 4.550 -0.001 0.000 0.280 90 Y C 2.510 178.316 175.900 -0.157 0.000 1.148 90 Y CA 2.114 60.172 58.100 -0.069 0.000 1.125 90 Y CB -0.498 37.891 38.460 -0.118 0.000 0.975 90 Y HN 0.070 nan 8.280 nan 0.000 0.492 91 V N -0.766 119.037 119.914 -0.186 0.000 2.255 91 V HA -0.364 3.755 4.120 -0.001 0.000 0.247 91 V C 1.926 177.702 176.094 -0.530 0.000 1.051 91 V CA 2.373 64.335 62.300 -0.563 0.000 1.018 91 V CB -0.922 30.287 31.823 -1.024 0.000 0.641 91 V HN 0.629 nan 8.190 nan 0.000 0.445 92 W N -0.611 120.656 121.300 -0.054 0.000 2.770 92 W HA 0.403 5.062 4.660 -0.001 0.000 0.256 92 W C 1.746 178.170 176.519 -0.158 0.000 1.291 92 W CA 0.452 57.709 57.345 -0.148 0.000 1.396 92 W CB -0.480 28.807 29.460 -0.288 0.000 1.114 92 W HN 0.479 nan 8.180 nan 0.000 0.637 93 G N 1.670 110.530 108.800 0.100 0.000 2.596 93 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.295 93 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.295 93 G C 0.798 175.770 174.900 0.121 0.000 1.240 93 G CA 0.912 46.047 45.100 0.059 0.000 0.985 93 G HN 0.280 nan 8.290 nan 0.000 0.555 94 K N 1.903 122.314 120.400 0.017 0.000 2.555 94 K HA 0.315 4.634 4.320 -0.001 0.000 0.193 94 K C 1.587 177.941 176.600 -0.410 0.000 1.032 94 K CA 0.857 57.101 56.287 -0.072 0.000 1.004 94 K CB -0.302 32.187 32.500 -0.019 0.000 0.804 94 K HN 1.946 nan 8.250 nan 0.000 0.496 95 G N 2.194 110.792 108.800 -0.336 0.000 2.333 95 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.296 95 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.296 95 G C -0.001 174.611 174.900 -0.480 0.000 1.059 95 G CA 0.097 44.897 45.100 -0.501 0.000 1.050 95 G HN 0.471 nan 8.290 nan 0.000 0.508 96 H N -1.227 117.785 119.070 -0.096 0.000 3.058 96 H HA 0.360 4.915 4.556 -0.001 0.000 0.266 96 H C 1.932 177.222 175.328 -0.065 0.000 1.135 96 H CA 0.802 56.803 56.048 -0.080 0.000 1.174 96 H CB 1.137 30.873 29.762 -0.042 0.000 1.581 96 H HN 1.261 nan 8.280 nan 0.000 0.553 97 G N 0.376 109.203 108.800 0.045 0.000 2.813 97 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.194 97 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.194 97 G C -0.120 174.808 174.900 0.046 0.000 1.010 97 G CA -0.062 45.058 45.100 0.034 0.000 0.771 97 G HN 0.277 nan 8.290 nan 0.000 0.485 98 D N 1.697 122.124 120.400 0.044 0.000 2.352 98 D HA 0.428 5.067 4.640 -0.001 0.000 0.245 98 D C -0.000 176.303 176.300 0.006 0.000 1.224 98 D CA 0.214 54.224 54.000 0.018 0.000 0.879 98 D CB 1.170 41.974 40.800 0.008 0.000 1.057 98 D HN 0.419 nan 8.370 nan 0.000 0.491 99 V N 4.789 124.702 119.914 -0.001 0.000 2.715 99 V HA 0.559 4.678 4.120 -0.001 0.000 0.310 99 V C -0.733 175.266 176.094 -0.158 0.000 1.054 99 V CA -0.840 61.426 62.300 -0.057 0.000 0.928 99 V CB 1.929 33.775 31.823 0.039 0.000 1.007 99 V HN 0.379 nan 8.190 nan 0.000 0.437 100 R N 4.275 124.610 120.500 -0.275 0.000 2.297 100 R HA 0.447 4.786 4.340 -0.001 0.000 0.308 100 R C 0.403 176.539 176.300 -0.273 0.000 1.029 100 R CA -0.262 55.680 56.100 -0.263 0.000 0.929 100 R CB 1.225 31.303 30.300 -0.369 0.000 1.046 100 R HN 0.744 nan 8.270 nan 0.000 0.461 101 K N 0.570 120.854 120.400 -0.193 0.000 2.393 101 K HA 0.174 4.493 4.320 -0.001 0.000 0.193 101 K C 0.017 176.494 176.600 -0.205 0.000 1.026 101 K CA 0.338 56.498 56.287 -0.211 0.000 1.064 101 K CB 0.770 33.196 32.500 -0.124 0.000 0.833 101 K HN 0.140 nan 8.250 nan 0.000 0.521 102 V N 2.075 121.903 119.914 -0.142 0.000 2.577 102 V HA 0.218 4.337 4.120 -0.001 0.000 0.303 102 V C -1.060 174.989 176.094 -0.075 0.000 1.042 102 V CA -1.034 61.203 62.300 -0.105 0.000 0.872 102 V CB 1.819 33.620 31.823 -0.036 0.000 0.998 102 V HN 0.024 nan 8.190 nan 0.000 0.423 103 L N 8.506 129.614 121.223 -0.192 0.000 2.260 103 L HA 0.586 4.925 4.340 -0.001 0.000 0.289 103 L C -2.375 174.372 176.870 -0.204 0.000 1.057 103 L CA -1.616 53.068 54.840 -0.260 0.000 0.811 103 L CB 1.166 43.004 42.059 -0.367 0.000 1.184 103 L HN 0.398 nan 8.230 nan 0.000 0.429 104 P HA -0.061 nan 4.420 nan 0.000 0.259 104 P C 0.152 177.394 177.300 -0.097 0.000 1.163 104 P CA 0.260 63.253 63.100 -0.178 0.000 0.760 104 P CB 0.285 31.821 31.700 -0.273 0.000 0.762 105 R N 4.626 125.112 120.500 -0.022 0.000 2.170 105 R HA -0.221 4.119 4.340 -0.001 0.000 0.242 105 R C 0.955 177.277 176.300 0.037 0.000 1.145 105 R CA 1.646 57.763 56.100 0.028 0.000 0.984 105 R CB -0.712 29.615 30.300 0.046 0.000 0.869 105 R HN 0.379 nan 8.270 nan 0.000 0.455 106 N N 0.428 119.139 118.700 0.018 0.000 2.453 106 N HA -0.088 4.651 4.740 -0.001 0.000 0.183 106 N C 1.390 176.940 175.510 0.066 0.000 1.041 106 N CA 0.938 54.021 53.050 0.056 0.000 0.900 106 N CB 0.130 38.646 38.487 0.048 0.000 0.961 106 N HN 0.338 nan 8.380 nan 0.000 0.443 107 I N 0.140 120.695 120.570 -0.024 0.000 3.565 107 I HA 0.124 4.293 4.170 -0.001 0.000 0.287 107 I C 1.892 177.977 176.117 -0.055 0.000 1.193 107 I CA 0.331 61.569 61.300 -0.103 0.000 1.402 107 I CB -0.612 37.241 38.000 -0.245 0.000 1.284 107 I HN -0.154 nan 8.210 nan 0.000 0.454 108 A N 0.757 123.569 122.820 -0.013 0.000 1.940 108 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 108 A C 2.327 179.949 177.584 0.063 0.000 1.176 108 A CA 2.054 54.150 52.037 0.098 0.000 0.631 108 A CB -0.891 18.176 19.000 0.111 0.000 0.814 108 A HN 0.267 nan 8.150 nan 0.000 0.446 109 V N 0.452 120.409 119.914 0.071 0.000 2.229 109 V HA -0.153 3.966 4.120 -0.001 0.000 0.243 109 V C -0.054 176.060 176.094 0.033 0.000 1.042 109 V CA 2.507 64.858 62.300 0.086 0.000 1.000 109 V CB -1.509 30.406 31.823 0.153 0.000 0.637 109 V HN 0.373 nan 8.190 nan 0.000 0.446 110 P HA -0.217 nan 4.420 nan 0.000 0.216 110 P C 1.593 178.934 177.300 0.068 0.000 1.153 110 P CA 1.603 64.807 63.100 0.173 0.000 0.858 110 P CB -0.180 31.745 31.700 0.376 0.000 0.789 111 Y N 0.170 120.363 120.300 -0.179 0.000 2.128 111 Y HA -0.248 4.301 4.550 -0.002 0.000 0.284 111 Y C 2.265 177.989 175.900 -0.293 0.000 1.154 111 Y CA 0.717 58.678 58.100 -0.232 0.000 1.149 111 Y CB -1.212 37.129 38.460 -0.198 0.000 0.976 111 Y HN -0.025 nan 8.280 nan 0.000 0.505 112 C N 0.229 119.231 119.300 -0.496 0.000 2.432 112 C HA -0.163 4.296 4.460 -0.001 0.000 0.280 112 C C 2.576 177.063 174.990 -0.837 0.000 1.353 112 C CA 1.095 59.486 59.018 -1.044 0.000 1.766 112 C CB -1.136 25.351 27.740 -2.089 0.000 1.924 112 C HN 0.609 nan 8.230 nan 0.000 0.509 113 Q N 0.100 119.635 119.800 -0.441 0.000 2.083 113 Q HA -0.112 4.227 4.340 -0.001 0.000 0.198 113 Q C 2.218 178.160 176.000 -0.097 0.000 0.969 113 Q CA 0.958 56.682 55.803 -0.131 0.000 0.838 113 Q CB -0.323 28.438 28.738 0.039 0.000 0.900 113 Q HN 0.545 nan 8.270 nan 0.000 0.436 114 L N 0.577 121.751 121.223 -0.082 0.000 2.046 114 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 114 L C 2.105 178.912 176.870 -0.106 0.000 1.077 114 L CA 1.721 56.537 54.840 -0.041 0.000 0.747 114 L CB -0.539 41.533 42.059 0.021 0.000 0.896 114 L HN 0.000 nan 8.230 nan 0.000 0.432 115 S N -0.353 115.208 115.700 -0.232 0.000 2.348 115 S HA -0.239 4.230 4.470 -0.001 0.000 0.221 115 S C 1.979 176.467 174.600 -0.187 0.000 1.033 115 S CA 1.645 59.675 58.200 -0.283 0.000 1.010 115 S CB -0.370 62.525 63.200 -0.508 0.000 0.891 115 S HN 0.458 nan 8.310 nan 0.000 0.442 116 K N 1.310 121.604 120.400 -0.176 0.000 2.063 116 K HA -0.154 4.166 4.320 -0.001 0.000 0.208 116 K C 2.203 178.782 176.600 -0.034 0.000 1.048 116 K CA 1.425 57.672 56.287 -0.067 0.000 0.928 116 K CB -0.154 32.349 32.500 0.004 0.000 0.713 116 K HN 0.180 nan 8.250 nan 0.000 0.442 117 K N 0.518 120.898 120.400 -0.033 0.000 2.097 117 K HA -0.082 4.238 4.320 -0.001 0.000 0.206 117 K C 1.794 178.395 176.600 0.002 0.000 1.049 117 K CA 1.080 57.365 56.287 -0.004 0.000 0.933 117 K CB 0.060 32.565 32.500 0.007 0.000 0.717 117 K HN 0.186 nan 8.250 nan 0.000 0.442 118 L N 0.640 121.853 121.223 -0.016 0.000 2.592 118 L HA 0.083 4.422 4.340 -0.001 0.000 0.227 118 L C -0.242 176.616 176.870 -0.020 0.000 1.127 118 L CA 0.242 55.085 54.840 0.005 0.000 0.884 118 L CB -0.038 42.019 42.059 -0.003 0.000 1.065 118 L HN 0.249 nan 8.230 nan 0.000 0.457 119 E N 0.557 120.732 120.200 -0.043 0.000 2.416 119 E HA -0.198 4.151 4.350 -0.001 0.000 0.249 119 E C -0.594 175.954 176.600 -0.087 0.000 1.124 119 E CA 0.215 56.583 56.400 -0.053 0.000 0.732 119 E CB -1.534 28.145 29.700 -0.034 0.000 1.286 119 E HN 0.395 nan 8.360 nan 0.000 0.394 120 L N -0.012 121.135 121.223 -0.128 0.000 2.371 120 L HA 0.559 4.898 4.340 -0.001 0.000 0.262 120 L C -2.082 174.613 176.870 -0.292 0.000 1.006 120 L CA -2.320 52.413 54.840 -0.179 0.000 0.818 120 L CB 1.738 43.723 42.059 -0.122 0.000 1.354 120 L HN -0.164 nan 8.230 nan 0.000 0.415 121 P HA 0.106 nan 4.420 nan 0.000 0.269 121 P C -2.613 174.272 177.300 -0.692 0.000 1.215 121 P CA -1.352 61.333 63.100 -0.692 0.000 0.780 121 P CB 0.031 31.193 31.700 -0.897 0.000 0.898 122 P HA 0.338 nan 4.420 nan 0.000 0.231 122 P C -0.252 176.879 177.300 -0.281 0.000 1.811 122 P CA 0.319 62.896 63.100 -0.872 0.000 1.051 122 P CB -0.232 30.966 31.700 -0.836 0.000 1.951 123 I N 1.453 121.973 120.570 -0.083 0.000 2.882 123 I HA 0.206 4.375 4.170 -0.001 0.000 0.298 123 I C -1.318 174.941 176.117 0.236 0.000 1.462 123 I CA -1.524 59.916 61.300 0.233 0.000 1.000 123 I CB 2.281 40.285 38.000 0.008 0.000 1.340 123 I HN -0.168 nan 8.210 nan 0.000 0.462 124 L N 6.227 127.611 121.223 0.268 0.000 2.584 124 L HA 0.261 4.600 4.340 -0.001 0.000 0.272 124 L C -0.772 176.218 176.870 0.201 0.000 1.195 124 L CA 0.967 55.947 54.840 0.235 0.000 0.920 124 L CB 0.602 42.831 42.059 0.284 0.000 1.173 124 L HN 0.387 nan 8.230 nan 0.000 0.489 125 V N 6.079 126.104 119.914 0.184 0.000 2.919 125 V HA 0.153 4.272 4.120 -0.001 0.000 0.316 125 V C 0.492 176.714 176.094 0.214 0.000 1.077 125 V CA -0.497 61.929 62.300 0.211 0.000 0.977 125 V CB 1.809 33.755 31.823 0.205 0.000 1.039 125 V HN 0.812 nan 8.190 nan 0.000 0.441 126 Y N 3.739 124.105 120.300 0.110 0.000 2.102 126 Y HA -0.305 4.244 4.550 -0.001 0.000 0.280 126 Y C 2.132 178.069 175.900 0.062 0.000 1.178 126 Y CA 2.744 60.898 58.100 0.089 0.000 1.146 126 Y CB -0.311 38.192 38.460 0.072 0.000 0.968 126 Y HN 0.687 nan 8.280 nan 0.000 0.504 127 A N -0.231 122.698 122.820 0.182 0.000 2.139 127 A HA -0.196 4.123 4.320 -0.001 0.000 0.221 127 A C 1.807 179.396 177.584 0.008 0.000 1.159 127 A CA 2.021 54.112 52.037 0.090 0.000 0.662 127 A CB -0.622 18.469 19.000 0.151 0.000 0.796 127 A HN 0.632 nan 8.150 nan 0.000 0.463 128 D N -0.505 119.895 120.400 -0.000 0.000 2.394 128 D HA -0.067 4.572 4.640 -0.001 0.000 0.237 128 D C 2.107 178.328 176.300 -0.131 0.000 1.028 128 D CA 1.623 55.606 54.000 -0.028 0.000 0.937 128 D CB -0.868 39.944 40.800 0.020 0.000 1.072 128 D HN 0.621 nan 8.370 nan 0.000 0.457 129 C N 0.289 119.460 119.300 -0.216 0.000 2.511 129 C HA 0.254 4.713 4.460 -0.001 0.000 0.277 129 C C 2.047 176.529 174.990 -0.847 0.000 1.451 129 C CA -0.412 58.252 59.018 -0.589 0.000 1.735 129 C CB -1.018 26.329 27.740 -0.655 0.000 1.704 129 C HN 0.027 nan 8.230 nan 0.000 0.571 130 V N -0.128 119.477 119.914 -0.514 0.000 3.668 130 V HA 0.114 4.233 4.120 -0.001 0.000 0.199 130 V C 2.346 178.283 176.094 -0.260 0.000 1.241 130 V CA 0.374 62.388 62.300 -0.475 0.000 1.308 130 V CB -0.692 30.621 31.823 -0.850 0.000 1.411 130 V HN 0.325 nan 8.190 nan 0.000 0.535 131 L N 0.896 121.935 121.223 -0.306 0.000 2.089 131 L HA -0.199 4.140 4.340 -0.001 0.000 0.213 131 L C 2.161 179.173 176.870 0.237 0.000 1.079 131 L CA 2.156 56.980 54.840 -0.027 0.000 0.758 131 L CB -0.576 41.505 42.059 0.036 0.000 0.891 131 L HN 0.505 nan 8.230 nan 0.000 0.433 132 A N -1.547 121.355 122.820 0.136 0.000 2.431 132 A HA 0.072 4.391 4.320 -0.001 0.000 0.239 132 A C 0.898 178.515 177.584 0.055 0.000 1.230 132 A CA -0.138 51.970 52.037 0.118 0.000 0.928 132 A CB -0.130 18.888 19.000 0.030 0.000 1.006 132 A HN 0.307 nan 8.150 nan 0.000 0.520 133 N N 1.880 120.637 118.700 0.094 0.000 3.271 133 N HA 0.273 5.012 4.740 -0.001 0.000 0.303 133 N C -0.786 174.807 175.510 0.137 0.000 1.415 133 N CA -0.404 52.650 53.050 0.007 0.000 1.159 133 N CB -0.064 38.321 38.487 -0.170 0.000 1.432 133 N HN 0.558 nan 8.380 nan 0.000 0.521 134 W N 0.545 121.771 121.300 -0.124 0.000 3.005 134 W HA 0.508 5.167 4.660 -0.001 0.000 0.343 134 W C -1.675 174.782 176.519 -0.104 0.000 1.243 134 W CA -0.951 56.328 57.345 -0.109 0.000 1.186 134 W CB 0.130 29.541 29.460 -0.082 0.000 1.453 134 W HN 0.122 nan 8.180 nan 0.000 0.575 135 K N 1.050 121.444 120.400 -0.011 0.000 2.597 135 K HA 0.566 4.886 4.320 -0.001 0.000 0.282 135 K C -1.883 174.746 176.600 0.049 0.000 0.975 135 K CA -1.009 55.165 56.287 -0.189 0.000 0.867 135 K CB 2.726 35.095 32.500 -0.219 0.000 1.465 135 K HN 0.405 nan 8.250 nan 0.000 0.417 136 K N 1.546 121.956 120.400 0.016 0.000 2.183 136 K HA 0.231 4.550 4.320 -0.001 0.000 0.274 136 K C 0.172 176.767 176.600 -0.008 0.000 1.009 136 K CA -0.460 55.864 56.287 0.063 0.000 0.888 136 K CB 1.113 33.663 32.500 0.083 0.000 1.078 136 K HN 0.602 nan 8.250 nan 0.000 0.459 137 K N 0.874 121.264 120.400 -0.016 0.000 2.025 137 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 137 K C 0.273 176.860 176.600 -0.023 0.000 1.049 137 K CA 1.096 57.364 56.287 -0.033 0.000 0.933 137 K CB 0.129 32.605 32.500 -0.040 0.000 0.714 137 K HN 0.476 nan 8.250 nan 0.000 0.438 138 D N -0.183 120.211 120.400 -0.010 0.000 2.460 138 D HA 0.151 4.790 4.640 -0.001 0.000 0.232 138 D C -2.223 174.079 176.300 0.004 0.000 1.079 138 D CA -2.464 51.534 54.000 -0.005 0.000 0.864 138 D CB 1.631 42.430 40.800 -0.001 0.000 1.048 138 D HN -0.206 nan 8.370 nan 0.000 0.523 139 P HA -0.099 nan 4.420 nan 0.000 0.218 139 P C 0.600 177.907 177.300 0.012 0.000 1.146 139 P CA 0.899 64.000 63.100 0.003 0.000 0.820 139 P CB 0.324 32.019 31.700 -0.010 0.000 0.778 140 N N -1.251 117.454 118.700 0.009 0.000 2.322 140 N HA 0.059 4.798 4.740 -0.001 0.000 0.194 140 N C 0.421 175.940 175.510 0.014 0.000 1.126 140 N CA 0.478 53.534 53.050 0.011 0.000 0.845 140 N CB 0.398 38.889 38.487 0.006 0.000 0.976 140 N HN 0.317 nan 8.380 nan 0.000 0.475 141 K N 0.864 121.275 120.400 0.018 0.000 2.258 141 K HA 0.478 4.797 4.320 -0.001 0.000 0.236 141 K C -2.431 174.186 176.600 0.028 0.000 1.008 141 K CA -1.777 54.522 56.287 0.020 0.000 0.869 141 K CB 1.111 33.621 32.500 0.017 0.000 1.171 141 K HN -0.199 nan 8.250 nan 0.000 0.447 142 P HA 0.070 nan 4.420 nan 0.000 0.274 142 P C -0.608 176.713 177.300 0.035 0.000 1.260 142 P CA -0.255 62.863 63.100 0.029 0.000 0.793 142 P CB 0.417 32.130 31.700 0.022 0.000 1.048 143 L N 0.480 121.719 121.223 0.027 0.000 2.422 143 L HA 0.252 4.591 4.340 -0.001 0.000 0.256 143 L C 0.669 177.544 176.870 0.009 0.000 1.202 143 L CA 0.119 54.968 54.840 0.016 0.000 1.119 143 L CB -0.554 41.489 42.059 -0.027 0.000 1.383 143 L HN 0.344 nan 8.230 nan 0.000 0.411 144 T N -1.155 113.414 114.554 0.026 0.000 2.908 144 T HA 0.178 4.528 4.350 -0.001 0.000 0.290 144 T C 0.797 175.533 174.700 0.061 0.000 1.034 144 T CA -0.362 61.770 62.100 0.053 0.000 1.010 144 T CB 1.215 70.118 68.868 0.058 0.000 1.068 144 T HN 0.352 nan 8.240 nan 0.000 0.481 145 Y N 2.608 122.898 120.300 -0.016 0.000 2.102 145 Y HA -0.204 4.346 4.550 -0.001 0.000 0.280 145 Y C 2.048 177.918 175.900 -0.051 0.000 1.178 145 Y CA 2.579 60.645 58.100 -0.057 0.000 1.146 145 Y CB -0.168 38.243 38.460 -0.082 0.000 0.968 145 Y HN 0.785 nan 8.280 nan 0.000 0.504 146 E N -0.253 119.965 120.200 0.030 0.000 2.160 146 E HA -0.218 4.132 4.350 -0.001 0.000 0.195 146 E C 1.404 177.956 176.600 -0.080 0.000 0.991 146 E CA 1.545 57.932 56.400 -0.022 0.000 0.810 146 E CB -0.456 29.282 29.700 0.063 0.000 0.742 146 E HN 0.435 nan 8.360 nan 0.000 0.466 147 N N -0.454 118.212 118.700 -0.055 0.000 2.320 147 N HA 0.149 4.888 4.740 -0.001 0.000 0.237 147 N C -0.782 174.699 175.510 -0.048 0.000 1.129 147 N CA 0.034 53.060 53.050 -0.040 0.000 0.854 147 N CB 0.177 38.663 38.487 -0.000 0.000 1.083 147 N HN -0.022 nan 8.380 nan 0.000 0.504 148 M N -1.149 118.374 119.600 -0.128 0.000 2.593 148 M HA 0.408 4.887 4.480 -0.001 0.000 0.290 148 M C -1.474 174.716 176.300 -0.184 0.000 1.244 148 M CA -0.909 54.334 55.300 -0.095 0.000 0.857 148 M CB 2.478 35.048 32.600 -0.049 0.000 1.738 148 M HN -0.145 nan 8.290 nan 0.000 0.461 149 D N 0.557 120.909 120.400 -0.080 0.000 2.654 149 D HA 0.496 5.135 4.640 -0.001 0.000 0.231 149 D C -1.448 174.841 176.300 -0.019 0.000 1.239 149 D CA -0.265 53.677 54.000 -0.096 0.000 0.790 149 D CB 2.728 43.463 40.800 -0.109 0.000 1.480 149 D HN 0.490 nan 8.370 nan 0.000 0.442 150 V N 0.200 120.109 119.914 -0.008 0.000 3.170 150 V HA 0.449 4.569 4.120 -0.001 0.000 0.309 150 V C 1.283 177.291 176.094 -0.143 0.000 1.071 150 V CA -0.314 61.995 62.300 0.015 0.000 1.063 150 V CB 1.021 32.925 31.823 0.135 0.000 1.123 150 V HN 0.597 nan 8.190 nan 0.000 0.464 151 L N -0.128 120.938 121.223 -0.263 0.000 2.298 151 L HA 0.396 4.735 4.340 -0.001 0.000 0.209 151 L C 0.009 176.271 176.870 -1.014 0.000 1.084 151 L CA 0.823 55.264 54.840 -0.666 0.000 0.816 151 L CB -0.036 41.542 42.059 -0.803 0.000 0.967 151 L HN 0.535 nan 8.230 nan 0.000 0.460 152 F N -1.305 118.581 119.950 -0.107 0.000 2.588 152 F HA 0.496 5.022 4.527 -0.002 0.000 0.310 152 F C -0.041 175.660 175.800 -0.165 0.000 1.082 152 F CA -0.709 57.194 58.000 -0.162 0.000 0.929 152 F CB 1.980 40.849 39.000 -0.218 0.000 1.254 152 F HN -0.347 nan 8.300 nan 0.000 0.455 153 S N 1.077 116.753 115.700 -0.039 0.000 2.632 153 S HA 0.575 5.044 4.470 -0.001 0.000 0.289 153 S C -0.101 174.301 174.600 -0.330 0.000 1.115 153 S CA -0.505 57.610 58.200 -0.142 0.000 0.889 153 S CB 1.642 64.827 63.200 -0.024 0.000 1.116 153 S HN 0.438 nan 8.310 nan 0.000 0.486 154 F N 1.102 121.024 119.950 -0.047 0.000 2.243 154 F HA 0.369 4.895 4.527 -0.001 0.000 0.287 154 F C 1.265 176.901 175.800 -0.273 0.000 1.067 154 F CA 0.545 58.366 58.000 -0.298 0.000 1.304 154 F CB 0.254 38.866 39.000 -0.646 0.000 1.087 154 F HN 0.139 nan 8.300 nan 0.000 0.513 155 R N 0.465 120.986 120.500 0.035 0.000 2.740 155 R HA 0.208 4.548 4.340 -0.001 0.000 0.273 155 R C -1.343 174.992 176.300 0.060 0.000 0.998 155 R CA -0.866 55.259 56.100 0.042 0.000 0.900 155 R CB 0.926 31.276 30.300 0.083 0.000 1.223 155 R HN -0.044 nan 8.270 nan 0.000 0.466 156 D N 0.493 120.925 120.400 0.055 0.000 2.472 156 D HA 0.095 4.734 4.640 -0.001 0.000 0.237 156 D C 1.188 177.531 176.300 0.072 0.000 1.141 156 D CA 1.643 55.676 54.000 0.056 0.000 0.875 156 D CB 0.547 41.378 40.800 0.052 0.000 1.192 156 D HN 0.751 nan 8.370 nan 0.000 0.450 157 G N 2.829 111.674 108.800 0.075 0.000 2.179 157 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.257 157 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.257 157 G C 0.601 175.561 174.900 0.100 0.000 1.010 157 G CA 0.711 45.864 45.100 0.088 0.000 0.736 157 G HN 0.646 nan 8.290 nan 0.000 0.513 158 D N -1.105 119.355 120.400 0.100 0.000 2.349 158 D HA 0.140 4.779 4.640 -0.001 0.000 0.224 158 D C 1.390 177.756 176.300 0.111 0.000 1.029 158 D CA 0.232 54.297 54.000 0.107 0.000 0.879 158 D CB -0.781 40.099 40.800 0.134 0.000 0.906 158 D HN 0.841 nan 8.370 nan 0.000 0.528 159 C N 0.811 120.184 119.300 0.122 0.000 4.356 159 C HA -0.186 4.273 4.460 -0.001 0.000 0.296 159 C C 2.258 177.315 174.990 0.112 0.000 1.424 159 C CA 0.733 59.840 59.018 0.148 0.000 2.000 159 C CB -3.176 24.683 27.740 0.200 0.000 1.262 159 C HN 0.619 nan 8.230 nan 0.000 0.789 160 S N 0.036 115.757 115.700 0.036 0.000 2.402 160 S HA -0.192 4.277 4.470 -0.001 0.000 0.229 160 S C 1.672 176.241 174.600 -0.051 0.000 1.021 160 S CA 1.460 59.553 58.200 -0.178 0.000 0.974 160 S CB -0.137 63.005 63.200 -0.098 0.000 0.800 160 S HN 0.857 nan 8.310 nan 0.000 0.484 161 K N 1.761 122.233 120.400 0.119 0.000 1.985 161 K HA -0.058 4.261 4.320 -0.001 0.000 0.210 161 K C 2.354 179.108 176.600 0.258 0.000 1.047 161 K CA 1.518 57.919 56.287 0.190 0.000 0.932 161 K CB -1.132 31.449 32.500 0.136 0.000 0.716 161 K HN 0.415 nan 8.250 nan 0.000 0.439 162 G N 0.860 109.822 108.800 0.270 0.000 2.514 162 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.217 162 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.217 162 G C 1.354 176.382 174.900 0.213 0.000 1.198 162 G CA 0.963 46.230 45.100 0.277 0.000 0.780 162 G HN 0.394 nan 8.290 nan 0.000 0.565 163 F N 1.004 120.958 119.950 0.005 0.000 2.046 163 F HA -0.013 4.513 4.527 -0.001 0.000 0.297 163 F C 2.451 178.295 175.800 0.073 0.000 1.123 163 F CA 1.166 59.139 58.000 -0.045 0.000 1.199 163 F CB -0.565 38.379 39.000 -0.093 0.000 0.972 163 F HN 0.106 nan 8.300 nan 0.000 0.474 164 F N 0.496 120.498 119.950 0.087 0.000 2.069 164 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 164 F C 2.473 178.208 175.800 -0.108 0.000 1.113 164 F CA 1.325 59.285 58.000 -0.067 0.000 1.214 164 F CB -1.525 37.513 39.000 0.063 0.000 0.978 164 F HN -0.011 nan 8.300 nan 0.000 0.474 165 L N -0.954 120.392 121.223 0.206 0.000 2.093 165 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 165 L C 2.387 179.290 176.870 0.055 0.000 1.085 165 L CA 0.682 55.601 54.840 0.132 0.000 0.755 165 L CB -0.751 41.456 42.059 0.248 0.000 0.904 165 L HN -0.021 nan 8.230 nan 0.000 0.435 166 V N -0.926 118.999 119.914 0.018 0.000 2.427 166 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 166 V C 2.574 178.551 176.094 -0.196 0.000 1.051 166 V CA 1.818 64.067 62.300 -0.085 0.000 1.048 166 V CB -0.104 31.648 31.823 -0.118 0.000 0.666 166 V HN 0.369 nan 8.190 nan 0.000 0.456 167 S N -0.243 115.305 115.700 -0.253 0.000 2.356 167 S HA -0.146 4.323 4.470 -0.001 0.000 0.223 167 S C 1.936 176.464 174.600 -0.122 0.000 1.032 167 S CA 1.506 59.563 58.200 -0.239 0.000 1.005 167 S CB -0.382 62.676 63.200 -0.237 0.000 0.867 167 S HN 0.481 nan 8.310 nan 0.000 0.449 168 L N 1.412 122.550 121.223 -0.142 0.000 1.990 168 L HA -0.166 4.173 4.340 -0.001 0.000 0.213 168 L C 2.144 178.914 176.870 -0.167 0.000 1.072 168 L CA 1.659 56.380 54.840 -0.198 0.000 0.755 168 L CB -0.505 41.377 42.059 -0.295 0.000 0.889 168 L HN 0.354 nan 8.230 nan 0.000 0.432 169 L N -1.236 119.909 121.223 -0.130 0.000 2.079 169 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 169 L C 2.476 179.314 176.870 -0.053 0.000 1.081 169 L CA 0.867 55.654 54.840 -0.088 0.000 0.752 169 L CB -0.549 41.491 42.059 -0.032 0.000 0.896 169 L HN 0.144 nan 8.230 nan 0.000 0.433 170 V N -0.240 119.638 119.914 -0.060 0.000 2.358 170 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 170 V C 2.499 178.645 176.094 0.087 0.000 1.047 170 V CA 1.841 64.142 62.300 0.003 0.000 1.035 170 V CB -0.252 31.522 31.823 -0.082 0.000 0.658 170 V HN 0.425 nan 8.190 nan 0.000 0.452 171 E N 0.506 120.754 120.200 0.080 0.000 2.070 171 E HA -0.243 4.107 4.350 -0.001 0.000 0.197 171 E C 1.965 178.629 176.600 0.107 0.000 1.004 171 E CA 1.983 58.475 56.400 0.153 0.000 0.805 171 E CB -0.346 29.430 29.700 0.127 0.000 0.744 171 E HN 0.602 nan 8.360 nan 0.000 0.451 172 I N 0.073 120.647 120.570 0.005 0.000 2.315 172 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 172 I C 2.339 178.459 176.117 0.006 0.000 1.117 172 I CA 0.885 62.169 61.300 -0.028 0.000 1.404 172 I CB -0.396 37.538 38.000 -0.111 0.000 1.071 172 I HN 0.213 nan 8.210 nan 0.000 0.419 173 A N 0.812 123.643 122.820 0.019 0.000 1.902 173 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 173 A C 2.491 180.101 177.584 0.044 0.000 1.181 173 A CA 1.782 53.831 52.037 0.020 0.000 0.623 173 A CB -0.688 18.325 19.000 0.021 0.000 0.818 173 A HN 0.427 nan 8.150 nan 0.000 0.443 174 A N -0.456 122.424 122.820 0.100 0.000 2.066 174 A HA 0.312 4.631 4.320 -0.001 0.000 0.218 174 A C 2.298 180.007 177.584 0.207 0.000 1.157 174 A CA 1.471 53.607 52.037 0.165 0.000 0.670 174 A CB -0.700 18.474 19.000 0.289 0.000 0.804 174 A HN 0.987 nan 8.150 nan 0.000 0.453 175 A N -0.303 122.587 122.820 0.117 0.000 2.067 175 A HA -0.017 4.302 4.320 -0.001 0.000 0.219 175 A C 2.252 179.852 177.584 0.027 0.000 1.158 175 A CA 1.687 53.746 52.037 0.036 0.000 0.661 175 A CB -0.618 18.369 19.000 -0.023 0.000 0.801 175 A HN 0.428 nan 8.150 nan 0.000 0.452 176 S N -0.260 115.464 115.700 0.039 0.000 2.447 176 S HA 0.049 4.518 4.470 -0.001 0.000 0.233 176 S C 2.011 176.640 174.600 0.049 0.000 1.006 176 S CA 0.979 59.193 58.200 0.024 0.000 0.957 176 S CB -0.166 63.038 63.200 0.007 0.000 0.773 176 S HN 0.782 nan 8.310 nan 0.000 0.507 177 A N 1.362 124.252 122.820 0.117 0.000 1.997 177 A HA 0.175 4.494 4.320 -0.001 0.000 0.212 177 A C 1.859 179.581 177.584 0.229 0.000 1.178 177 A CA 0.211 52.353 52.037 0.176 0.000 0.698 177 A CB -0.295 18.817 19.000 0.187 0.000 0.842 177 A HN 0.352 nan 8.150 nan 0.000 0.458 178 I N 1.719 122.410 120.570 0.201 0.000 2.145 178 I HA -0.343 3.827 4.170 -0.001 0.000 0.244 178 I C 2.432 178.569 176.117 0.034 0.000 1.075 178 I CA 2.352 63.677 61.300 0.041 0.000 1.332 178 I CB -1.209 36.685 38.000 -0.177 0.000 1.033 178 I HN 0.596 nan 8.210 nan 0.000 0.410 179 K N 1.380 121.786 120.400 0.010 0.000 2.360 179 K HA -0.112 4.208 4.320 -0.001 0.000 0.201 179 K C 1.675 178.300 176.600 0.043 0.000 1.046 179 K CA 1.549 57.845 56.287 0.015 0.000 0.940 179 K CB -0.622 31.878 32.500 -0.000 0.000 0.748 179 K HN 0.418 nan 8.250 nan 0.000 0.465 180 V N -1.134 118.813 119.914 0.055 0.000 3.608 180 V HA 0.025 4.144 4.120 -0.001 0.000 0.269 180 V C 1.771 177.885 176.094 0.034 0.000 1.245 180 V CA -0.003 62.322 62.300 0.043 0.000 1.138 180 V CB -0.435 31.409 31.823 0.035 0.000 0.841 180 V HN 0.126 nan 8.190 nan 0.000 0.451 181 I N 1.398 122.003 120.570 0.057 0.000 2.151 181 I HA -0.108 4.061 4.170 -0.001 0.000 0.243 181 I C 0.327 176.446 176.117 0.004 0.000 1.080 181 I CA 1.823 63.129 61.300 0.010 0.000 1.339 181 I CB -2.688 35.382 38.000 0.116 0.000 1.039 181 I HN 0.354 nan 8.210 nan 0.000 0.409 182 P HA -0.125 nan 4.420 nan 0.000 0.215 182 P C 1.795 179.156 177.300 0.101 0.000 1.157 182 P CA 1.894 65.097 63.100 0.172 0.000 0.874 182 P CB -0.194 31.595 31.700 0.148 0.000 0.790 183 T N -0.606 113.979 114.554 0.051 0.000 2.665 183 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 183 T C 1.823 176.524 174.700 0.002 0.000 1.035 183 T CA 1.528 63.647 62.100 0.032 0.000 1.151 183 T CB -1.244 67.636 68.868 0.021 0.000 0.862 183 T HN -0.111 nan 8.240 nan 0.000 0.438 184 V N 0.904 120.770 119.914 -0.081 0.000 2.231 184 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 184 V C 2.219 178.211 176.094 -0.170 0.000 1.054 184 V CA 1.859 64.052 62.300 -0.178 0.000 1.015 184 V CB -0.848 30.745 31.823 -0.383 0.000 0.638 184 V HN 0.371 nan 8.190 nan 0.000 0.444 185 F N 0.360 120.331 119.950 0.036 0.000 2.186 185 F HA -0.099 4.427 4.527 -0.001 0.000 0.299 185 F C 2.304 178.094 175.800 -0.018 0.000 1.090 185 F CA 1.716 59.714 58.000 -0.004 0.000 1.307 185 F CB -0.782 38.213 39.000 -0.008 0.000 1.019 185 F HN 0.065 nan 8.300 nan 0.000 0.489 186 K N 0.763 121.262 120.400 0.164 0.000 1.991 186 K HA -0.139 4.180 4.320 -0.001 0.000 0.212 186 K C 2.275 178.913 176.600 0.063 0.000 1.049 186 K CA 1.573 57.917 56.287 0.096 0.000 0.932 186 K CB -0.749 31.798 32.500 0.079 0.000 0.717 186 K HN 0.090 nan 8.250 nan 0.000 0.441 187 A N 0.547 123.405 122.820 0.062 0.000 1.958 187 A HA -0.262 4.057 4.320 -0.001 0.000 0.221 187 A C 2.224 179.853 177.584 0.076 0.000 1.178 187 A CA 2.310 54.392 52.037 0.075 0.000 0.642 187 A CB -0.645 18.408 19.000 0.088 0.000 0.816 187 A HN 0.454 nan 8.150 nan 0.000 0.453 188 M N -0.785 118.822 119.600 0.012 0.000 2.132 188 M HA -0.229 4.250 4.480 -0.001 0.000 0.263 188 M C 2.510 178.629 176.300 -0.301 0.000 1.065 188 M CA 2.051 57.182 55.300 -0.280 0.000 1.122 188 M CB -0.323 32.052 32.600 -0.374 0.000 1.365 188 M HN 0.768 nan 8.290 nan 0.000 0.411 189 Q N -0.768 118.959 119.800 -0.122 0.000 2.212 189 Q HA -0.006 4.333 4.340 -0.001 0.000 0.199 189 Q C 1.606 177.586 176.000 -0.032 0.000 0.950 189 Q CA 0.816 56.566 55.803 -0.089 0.000 0.863 189 Q CB -0.130 28.580 28.738 -0.047 0.000 0.944 189 Q HN 0.360 nan 8.270 nan 0.000 0.465 190 M N 0.242 119.843 119.600 0.001 0.000 2.618 190 M HA 0.057 4.536 4.480 -0.001 0.000 0.240 190 M C 0.123 176.449 176.300 0.043 0.000 1.123 190 M CA 0.615 55.929 55.300 0.023 0.000 1.060 190 M CB -0.341 32.278 32.600 0.032 0.000 1.535 190 M HN 0.372 nan 8.290 nan 0.000 0.507 191 Q N 1.345 121.180 119.800 0.058 0.000 2.461 191 Q HA -0.170 4.169 4.340 -0.001 0.000 0.264 191 Q C -0.652 175.424 176.000 0.127 0.000 1.085 191 Q CA 0.628 56.507 55.803 0.127 0.000 1.006 191 Q CB -1.097 27.699 28.738 0.097 0.000 1.437 191 Q HN 0.357 nan 8.270 nan 0.000 0.514 192 E N 0.227 120.494 120.200 0.111 0.000 1.814 192 E HA 0.014 4.363 4.350 -0.001 0.000 0.264 192 E C 1.021 177.680 176.600 0.099 0.000 1.179 192 E CA -0.164 56.287 56.400 0.086 0.000 0.972 192 E CB 0.493 30.232 29.700 0.065 0.000 1.077 192 E HN 0.257 nan 8.360 nan 0.000 0.417 193 R N 2.688 123.238 120.500 0.083 0.000 2.083 193 R HA -0.165 4.174 4.340 -0.001 0.000 0.237 193 R C 0.514 176.833 176.300 0.030 0.000 1.137 193 R CA 1.499 57.630 56.100 0.051 0.000 0.951 193 R CB 0.150 30.458 30.300 0.014 0.000 0.851 193 R HN 0.331 nan 8.270 nan 0.000 0.434 194 D N -0.428 119.987 120.400 0.025 0.000 2.219 194 D HA -0.085 4.554 4.640 -0.001 0.000 0.205 194 D C 1.647 177.961 176.300 0.022 0.000 0.970 194 D CA 1.408 55.418 54.000 0.017 0.000 0.851 194 D CB -0.169 40.639 40.800 0.014 0.000 0.943 194 D HN 0.295 nan 8.370 nan 0.000 0.488 195 T N 1.362 115.936 114.554 0.033 0.000 2.812 195 T HA -0.025 4.324 4.350 -0.001 0.000 0.264 195 T C 2.029 176.752 174.700 0.038 0.000 1.042 195 T CA 0.086 62.206 62.100 0.034 0.000 1.140 195 T CB -0.176 68.716 68.868 0.040 0.000 0.870 195 T HN 0.115 nan 8.240 nan 0.000 0.445 196 L N 0.831 122.089 121.223 0.059 0.000 2.012 196 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 196 L C 2.440 179.332 176.870 0.038 0.000 1.073 196 L CA 1.548 56.429 54.840 0.069 0.000 0.748 196 L CB -0.446 41.693 42.059 0.132 0.000 0.891 196 L HN 0.257 nan 8.230 nan 0.000 0.431 197 L N 0.500 121.737 121.223 0.023 0.000 2.012 197 L HA -0.293 4.046 4.340 -0.001 0.000 0.210 197 L C 2.605 179.479 176.870 0.005 0.000 1.073 197 L CA 2.070 56.915 54.840 0.008 0.000 0.748 197 L CB -0.683 41.375 42.059 -0.002 0.000 0.891 197 L HN 0.207 nan 8.230 nan 0.000 0.431 198 K N -0.735 119.669 120.400 0.007 0.000 2.001 198 K HA -0.241 4.079 4.320 -0.001 0.000 0.214 198 K C 2.028 178.627 176.600 -0.001 0.000 1.050 198 K CA 1.706 57.994 56.287 0.002 0.000 0.934 198 K CB -0.418 32.085 32.500 0.006 0.000 0.718 198 K HN 0.468 nan 8.250 nan 0.000 0.443 199 A N 1.551 124.374 122.820 0.005 0.000 1.873 199 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 199 A C 2.210 179.790 177.584 -0.006 0.000 1.193 199 A CA 1.815 53.853 52.037 0.001 0.000 0.629 199 A CB -0.862 18.139 19.000 0.002 0.000 0.826 199 A HN 0.381 nan 8.150 nan 0.000 0.447 200 L N -0.849 120.373 121.223 -0.001 0.000 2.012 200 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 200 L C 2.640 179.489 176.870 -0.034 0.000 1.073 200 L CA 1.419 56.254 54.840 -0.008 0.000 0.748 200 L CB -0.628 41.443 42.059 0.021 0.000 0.891 200 L HN 0.411 nan 8.230 nan 0.000 0.431 201 L N -0.635 120.572 121.223 -0.028 0.000 2.093 201 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 201 L C 2.625 179.465 176.870 -0.049 0.000 1.085 201 L CA 0.903 55.719 54.840 -0.040 0.000 0.755 201 L CB -0.494 41.548 42.059 -0.028 0.000 0.904 201 L HN 0.244 nan 8.230 nan 0.000 0.435 202 E N 1.226 121.404 120.200 -0.036 0.000 2.038 202 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 202 E C 2.062 178.628 176.600 -0.056 0.000 1.000 202 E CA 1.659 58.037 56.400 -0.036 0.000 0.803 202 E CB -0.305 29.385 29.700 -0.017 0.000 0.750 202 E HN 0.385 nan 8.360 nan 0.000 0.448 203 I N 0.460 120.995 120.570 -0.058 0.000 2.118 203 I HA -0.349 3.820 4.170 -0.001 0.000 0.241 203 I C 2.428 178.432 176.117 -0.188 0.000 1.070 203 I CA 1.338 62.577 61.300 -0.103 0.000 1.327 203 I CB -0.575 37.382 38.000 -0.072 0.000 1.034 203 I HN 0.232 nan 8.210 nan 0.000 0.405 204 A N -0.239 122.483 122.820 -0.163 0.000 1.917 204 A HA -0.300 4.019 4.320 -0.001 0.000 0.219 204 A C 2.485 179.975 177.584 -0.156 0.000 1.182 204 A CA 2.477 54.406 52.037 -0.180 0.000 0.633 204 A CB -0.976 17.942 19.000 -0.136 0.000 0.819 204 A HN 0.442 nan 8.150 nan 0.000 0.448 205 S N -1.142 114.489 115.700 -0.114 0.000 2.359 205 S HA -0.222 4.247 4.470 -0.001 0.000 0.224 205 S C 2.001 176.538 174.600 -0.104 0.000 1.035 205 S CA 1.712 59.856 58.200 -0.094 0.000 1.018 205 S CB -0.865 62.295 63.200 -0.066 0.000 0.876 205 S HN 0.685 nan 8.310 nan 0.000 0.448 206 C N 1.219 120.452 119.300 -0.111 0.000 2.413 206 C HA 0.011 4.470 4.460 -0.001 0.000 0.277 206 C C 2.486 177.387 174.990 -0.149 0.000 1.265 206 C CA 0.639 59.594 59.018 -0.106 0.000 1.752 206 C CB -1.605 26.084 27.740 -0.084 0.000 1.998 206 C HN 0.584 nan 8.230 nan 0.000 0.489 207 L N 0.399 121.479 121.223 -0.238 0.000 2.217 207 L HA -0.101 4.238 4.340 -0.001 0.000 0.211 207 L C 2.463 179.226 176.870 -0.179 0.000 1.107 207 L CA 1.320 55.991 54.840 -0.282 0.000 0.783 207 L CB -0.650 41.149 42.059 -0.433 0.000 0.919 207 L HN 0.470 nan 8.230 nan 0.000 0.442 208 E N 0.159 120.271 120.200 -0.148 0.000 2.216 208 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 208 E C 1.948 178.490 176.600 -0.097 0.000 0.988 208 E CA 0.620 56.951 56.400 -0.114 0.000 0.834 208 E CB 0.154 29.792 29.700 -0.103 0.000 0.772 208 E HN 0.424 nan 8.360 nan 0.000 0.479 209 K N 0.568 120.916 120.400 -0.087 0.000 2.228 209 K HA 0.060 4.379 4.320 -0.001 0.000 0.202 209 K C 2.115 178.687 176.600 -0.047 0.000 1.051 209 K CA 0.710 56.954 56.287 -0.072 0.000 0.960 209 K CB 0.110 32.575 32.500 -0.058 0.000 0.743 209 K HN 0.009 nan 8.250 nan 0.000 0.458 210 A N 1.545 124.349 122.820 -0.027 0.000 1.930 210 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 210 A C 2.069 179.722 177.584 0.115 0.000 1.175 210 A CA 1.013 53.077 52.037 0.045 0.000 0.627 210 A CB -0.426 18.607 19.000 0.056 0.000 0.815 210 A HN 0.220 nan 8.150 nan 0.000 0.443 211 L N -0.574 120.681 121.223 0.052 0.000 2.042 211 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 211 L C 2.352 179.201 176.870 -0.036 0.000 1.076 211 L CA 2.536 57.397 54.840 0.035 0.000 0.749 211 L CB -0.830 41.182 42.059 -0.078 0.000 0.893 211 L HN 0.384 nan 8.230 nan 0.000 0.432 212 Q N -0.726 118.974 119.800 -0.166 0.000 2.061 212 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 212 Q C 2.227 178.129 176.000 -0.163 0.000 0.984 212 Q CA 2.227 57.807 55.803 -0.372 0.000 0.846 212 Q CB -0.611 27.970 28.738 -0.262 0.000 0.902 212 Q HN 0.441 nan 8.270 nan 0.000 0.421 213 V N 0.154 120.061 119.914 -0.012 0.000 2.392 213 V HA -0.239 3.880 4.120 -0.001 0.000 0.249 213 V C 1.901 178.078 176.094 0.140 0.000 1.059 213 V CA 1.666 63.994 62.300 0.048 0.000 1.051 213 V CB -0.653 31.190 31.823 0.033 0.000 0.658 213 V HN 0.325 nan 8.190 nan 0.000 0.455 214 F N 0.570 120.563 119.950 0.071 0.000 2.202 214 F HA -0.176 4.350 4.527 -0.001 0.000 0.301 214 F C 2.321 178.263 175.800 0.237 0.000 1.082 214 F CA 1.694 59.783 58.000 0.148 0.000 1.313 214 F CB -0.459 38.637 39.000 0.160 0.000 1.024 214 F HN 0.290 nan 8.300 nan 0.000 0.495 215 H N -0.223 118.989 119.070 0.236 0.000 2.387 215 H HA -0.180 4.375 4.556 -0.001 0.000 0.299 215 H C 2.119 177.580 175.328 0.222 0.000 1.099 215 H CA 1.678 57.887 56.048 0.269 0.000 1.315 215 H CB -0.703 29.128 29.762 0.115 0.000 1.380 215 H HN 0.387 nan 8.280 nan 0.000 0.513 216 Q N -0.318 119.615 119.800 0.221 0.000 2.308 216 Q HA -0.145 4.194 4.340 -0.001 0.000 0.209 216 Q C 2.092 178.058 176.000 -0.056 0.000 0.985 216 Q CA 0.665 56.489 55.803 0.035 0.000 0.881 216 Q CB -0.102 28.654 28.738 0.030 0.000 0.917 216 Q HN 0.430 nan 8.270 nan 0.000 0.443 217 I N 0.947 121.515 120.570 -0.003 0.000 2.315 217 I HA -0.304 3.866 4.170 -0.001 0.000 0.251 217 I C 1.830 177.852 176.117 -0.159 0.000 1.125 217 I CA 1.782 63.004 61.300 -0.130 0.000 1.392 217 I CB -0.495 37.397 38.000 -0.179 0.000 1.065 217 I HN 0.360 nan 8.210 nan 0.000 0.424 218 H N 0.356 119.459 119.070 0.055 0.000 2.428 218 H HA -0.064 4.491 4.556 -0.001 0.000 0.296 218 H C 1.445 176.765 175.328 -0.014 0.000 1.062 218 H CA 1.280 57.389 56.048 0.102 0.000 1.350 218 H CB 0.002 29.818 29.762 0.089 0.000 1.403 218 H HN 0.406 nan 8.280 nan 0.000 0.533 219 D N -0.102 120.236 120.400 -0.103 0.000 2.317 219 D HA -0.055 4.584 4.640 -0.001 0.000 0.211 219 D C 1.078 177.084 176.300 -0.491 0.000 0.966 219 D CA 0.785 54.570 54.000 -0.358 0.000 0.876 219 D CB 0.120 40.557 40.800 -0.606 0.000 0.927 219 D HN 0.565 nan 8.370 nan 0.000 0.519 220 H N -1.015 118.046 119.070 -0.016 0.000 3.078 220 H HA 0.306 4.861 4.556 -0.001 0.000 0.263 220 H C -0.223 175.154 175.328 0.083 0.000 1.177 220 H CA 0.033 56.077 56.048 -0.007 0.000 1.128 220 H CB 1.360 31.003 29.762 -0.199 0.000 1.623 220 H HN -0.141 nan 8.280 nan 0.000 0.592 221 V N 2.538 122.563 119.914 0.186 0.000 2.569 221 V HA 0.133 4.252 4.120 -0.001 0.000 0.301 221 V C 0.048 176.375 176.094 0.389 0.000 1.044 221 V CA -1.135 61.317 62.300 0.254 0.000 0.874 221 V CB 2.622 34.513 31.823 0.113 0.000 1.002 221 V HN 0.343 nan 8.190 nan 0.000 0.424 222 N N 5.869 124.750 118.700 0.302 0.000 2.434 222 N HA 0.271 5.010 4.740 -0.001 0.000 0.272 222 N C -1.981 173.647 175.510 0.198 0.000 1.040 222 N CA -1.486 51.682 53.050 0.197 0.000 0.956 222 N CB 2.619 41.187 38.487 0.135 0.000 1.108 222 N HN 0.200 nan 8.380 nan 0.000 0.481 223 P HA -0.225 nan 4.420 nan 0.000 0.217 223 P C 1.213 178.596 177.300 0.138 0.000 1.162 223 P CA 1.821 64.824 63.100 -0.163 0.000 0.901 223 P CB 0.233 31.678 31.700 -0.424 0.000 0.793 224 K N -0.682 119.772 120.400 0.089 0.000 2.001 224 K HA -0.128 4.191 4.320 -0.001 0.000 0.208 224 K C 2.053 178.755 176.600 0.169 0.000 1.048 224 K CA 1.553 57.922 56.287 0.138 0.000 0.932 224 K CB -0.725 31.822 32.500 0.078 0.000 0.715 224 K HN -0.049 nan 8.250 nan 0.000 0.437 225 A N 0.993 123.903 122.820 0.150 0.000 1.892 225 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 225 A C 2.050 179.704 177.584 0.117 0.000 1.188 225 A CA 1.734 53.849 52.037 0.129 0.000 0.631 225 A CB -0.961 18.123 19.000 0.140 0.000 0.822 225 A HN 0.557 nan 8.150 nan 0.000 0.447 226 F N -0.652 119.350 119.950 0.087 0.000 2.075 226 F HA -0.161 4.365 4.527 -0.001 0.000 0.297 226 F C 1.966 177.770 175.800 0.006 0.000 1.113 226 F CA 2.105 60.127 58.000 0.037 0.000 1.218 226 F CB -0.569 38.508 39.000 0.129 0.000 0.984 226 F HN 0.270 nan 8.300 nan 0.000 0.472 227 F N 1.061 121.003 119.950 -0.013 0.000 2.134 227 F HA -0.145 4.381 4.527 -0.001 0.000 0.299 227 F C 2.605 178.274 175.800 -0.219 0.000 1.097 227 F CA 1.837 59.758 58.000 -0.132 0.000 1.264 227 F CB -0.715 38.310 39.000 0.041 0.000 1.001 227 F HN 0.112 nan 8.300 nan 0.000 0.479 228 S N -1.771 113.804 115.700 -0.208 0.000 2.503 228 S HA 0.124 4.593 4.470 -0.001 0.000 0.217 228 S C 1.308 175.744 174.600 -0.275 0.000 0.999 228 S CA 0.673 58.718 58.200 -0.257 0.000 0.914 228 S CB -0.121 63.079 63.200 -0.000 0.000 0.782 228 S HN 0.158 nan 8.310 nan 0.000 0.520 229 V N 0.688 120.454 119.914 -0.247 0.000 3.671 229 V HA 0.270 4.389 4.120 -0.001 0.000 0.202 229 V C 2.086 178.061 176.094 -0.198 0.000 1.188 229 V CA 0.092 62.293 62.300 -0.165 0.000 1.325 229 V CB -0.935 30.893 31.823 0.009 0.000 1.470 229 V HN 0.303 nan 8.190 nan 0.000 0.520 230 L N 0.694 121.805 121.223 -0.188 0.000 1.997 230 L HA -0.295 4.044 4.340 -0.001 0.000 0.216 230 L C 2.816 179.429 176.870 -0.429 0.000 1.074 230 L CA 2.670 57.389 54.840 -0.202 0.000 0.763 230 L CB -0.406 41.486 42.059 -0.278 0.000 0.890 230 L HN 0.402 nan 8.230 nan 0.000 0.434 231 R N -0.171 119.840 120.500 -0.816 0.000 2.154 231 R HA -0.240 4.099 4.340 -0.001 0.000 0.248 231 R C 2.096 178.032 176.300 -0.607 0.000 1.155 231 R CA 1.772 57.398 56.100 -0.791 0.000 0.979 231 R CB -0.147 29.581 30.300 -0.955 0.000 0.869 231 R HN 0.350 nan 8.270 nan 0.000 0.452 232 I N 0.081 120.256 120.570 -0.659 0.000 2.163 232 I HA -0.250 3.919 4.170 -0.001 0.000 0.240 232 I C 1.859 177.398 176.117 -0.964 0.000 1.081 232 I CA 1.514 62.313 61.300 -0.835 0.000 1.353 232 I CB -1.392 36.083 38.000 -0.875 0.000 1.054 232 I HN 0.178 nan 8.210 nan 0.000 0.407 233 Y N 0.545 120.490 120.300 -0.591 0.000 2.497 233 Y HA -0.039 4.510 4.550 -0.001 0.000 0.292 233 Y C 2.349 178.068 175.900 -0.302 0.000 1.137 233 Y CA 0.637 58.414 58.100 -0.539 0.000 1.285 233 Y CB -0.466 37.297 38.460 -1.162 0.000 0.991 233 Y HN 0.087 nan 8.280 nan 0.000 0.556 234 L N -1.220 119.931 121.223 -0.119 0.000 2.591 234 L HA 0.060 4.400 4.340 -0.001 0.000 0.228 234 L C 0.694 177.583 176.870 0.032 0.000 1.133 234 L CA -0.051 54.831 54.840 0.069 0.000 0.880 234 L CB -0.174 41.960 42.059 0.125 0.000 1.033 234 L HN -0.065 nan 8.230 nan 0.000 0.450 235 S N 0.004 115.635 115.700 -0.115 0.000 2.576 235 S HA 0.416 4.885 4.470 -0.001 0.000 0.276 235 S C 0.597 175.347 174.600 0.249 0.000 1.339 235 S CA -0.238 57.911 58.200 -0.085 0.000 1.039 235 S CB 1.511 64.451 63.200 -0.434 0.000 0.902 235 S HN 0.335 nan 8.310 nan 0.000 0.516 236 G N 0.522 109.396 108.800 0.123 0.000 2.857 236 G HA2 0.588 4.547 3.960 -0.001 0.000 0.217 236 G HA3 0.588 4.547 3.960 -0.001 0.000 0.217 236 G C -1.252 173.829 174.900 0.302 0.000 1.357 236 G CA -0.975 44.053 45.100 -0.119 0.000 1.033 236 G HN 0.865 nan 8.290 nan 0.000 0.571 237 W N -0.462 121.022 121.300 0.307 0.000 1.683 237 W HA 0.700 5.360 4.660 -0.002 0.000 0.295 237 W C -0.280 176.330 176.519 0.151 0.000 0.865 237 W CA -1.162 56.318 57.345 0.225 0.000 2.079 237 W CB 0.481 30.038 29.460 0.162 0.000 2.263 237 W HN 0.322 nan 8.180 nan 0.000 0.427 238 K N 1.238 121.760 120.400 0.204 0.000 2.578 238 K HA 0.512 4.831 4.320 -0.001 0.000 0.250 238 K C 0.933 177.594 176.600 0.103 0.000 0.955 238 K CA -0.339 56.020 56.287 0.120 0.000 0.825 238 K CB 1.252 33.799 32.500 0.079 0.000 1.151 238 K HN 0.553 nan 8.250 nan 0.000 0.432 239 G N 3.083 111.936 108.800 0.089 0.000 2.249 239 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.273 239 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.273 239 G C -0.508 174.438 174.900 0.077 0.000 1.036 239 G CA 0.342 45.484 45.100 0.069 0.000 0.824 239 G HN 0.640 nan 8.290 nan 0.000 0.504 240 N N 0.109 118.882 118.700 0.120 0.000 2.444 240 N HA 0.417 5.156 4.740 -0.001 0.000 0.262 240 N C -0.849 174.731 175.510 0.117 0.000 0.974 240 N CA -2.014 51.115 53.050 0.132 0.000 0.933 240 N CB 1.841 40.471 38.487 0.238 0.000 1.137 240 N HN -0.079 nan 8.380 nan 0.000 0.498 241 P HA -0.198 nan 4.420 nan 0.000 0.216 241 P C 0.826 178.169 177.300 0.070 0.000 1.154 241 P CA 1.629 64.763 63.100 0.057 0.000 0.865 241 P CB 0.215 31.934 31.700 0.031 0.000 0.789 242 Q N -1.217 118.641 119.800 0.098 0.000 2.444 242 Q HA 0.062 4.402 4.340 -0.001 0.000 0.206 242 Q C 0.743 176.821 176.000 0.130 0.000 0.948 242 Q CA 0.598 56.468 55.803 0.112 0.000 0.946 242 Q CB -0.228 28.589 28.738 0.132 0.000 1.027 242 Q HN 0.298 nan 8.270 nan 0.000 0.513 243 L N 1.323 122.632 121.223 0.142 0.000 3.313 243 L HA 0.164 4.503 4.340 -0.001 0.000 0.339 243 L C 0.721 177.651 176.870 0.101 0.000 1.309 243 L CA -0.165 54.740 54.840 0.107 0.000 0.867 243 L CB 0.721 42.876 42.059 0.160 0.000 1.316 243 L HN 0.162 nan 8.230 nan 0.000 0.604 244 S N -0.532 115.213 115.700 0.076 0.000 2.451 244 S HA -0.314 4.155 4.470 -0.001 0.000 0.272 244 S C 1.038 175.672 174.600 0.057 0.000 1.136 244 S CA 2.326 60.562 58.200 0.061 0.000 1.209 244 S CB -0.307 62.916 63.200 0.039 0.000 1.130 244 S HN 0.499 nan 8.310 nan 0.000 0.440 245 D N 1.939 122.364 120.400 0.042 0.000 2.340 245 D HA 0.442 5.081 4.640 -0.001 0.000 0.217 245 D C 1.249 177.576 176.300 0.045 0.000 1.081 245 D CA 0.884 54.903 54.000 0.033 0.000 0.842 245 D CB 0.339 41.149 40.800 0.017 0.000 0.934 245 D HN 0.660 nan 8.370 nan 0.000 0.511 246 G N 0.787 109.636 108.800 0.081 0.000 2.500 246 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.209 246 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.209 246 G C -1.359 173.526 174.900 -0.026 0.000 1.283 246 G CA -0.585 44.596 45.100 0.135 0.000 0.960 246 G HN 0.214 nan 8.290 nan 0.000 0.528 247 L N -0.340 120.819 121.223 -0.107 0.000 2.346 247 L HA 0.830 5.169 4.340 -0.001 0.000 0.276 247 L C 0.174 176.964 176.870 -0.133 0.000 1.006 247 L CA -0.916 53.672 54.840 -0.420 0.000 0.817 247 L CB 1.967 43.302 42.059 -1.207 0.000 1.272 247 L HN 1.391 nan 8.230 nan 0.000 0.421 248 V N 5.868 125.695 119.914 -0.145 0.000 2.364 248 V HA 0.346 4.465 4.120 -0.001 0.000 0.272 248 V C -0.949 175.156 176.094 0.019 0.000 1.036 248 V CA -0.169 62.167 62.300 0.060 0.000 0.880 248 V CB 0.641 32.496 31.823 0.052 0.000 0.991 248 V HN 0.689 nan 8.190 nan 0.000 0.460 249 Y N 4.808 125.263 120.300 0.258 0.000 2.632 249 Y HA 0.306 4.855 4.550 -0.001 0.000 0.336 249 Y C 0.948 176.960 175.900 0.186 0.000 1.237 249 Y CA -0.306 57.934 58.100 0.234 0.000 1.595 249 Y CB -0.135 38.545 38.460 0.367 0.000 1.508 249 Y HN 0.750 nan 8.280 nan 0.000 0.480 250 E N 1.779 122.082 120.200 0.172 0.000 2.765 250 E HA 0.059 4.408 4.350 -0.001 0.000 0.256 250 E C 1.272 177.956 176.600 0.139 0.000 0.935 250 E CA 1.215 57.693 56.400 0.129 0.000 0.954 250 E CB 0.020 29.753 29.700 0.055 0.000 0.908 250 E HN 0.961 nan 8.360 nan 0.000 0.500 251 G N 3.489 112.364 108.800 0.125 0.000 2.176 251 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.253 251 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.253 251 G C 0.285 175.237 174.900 0.088 0.000 0.979 251 G CA 0.304 45.459 45.100 0.092 0.000 0.641 251 G HN 0.614 nan 8.290 nan 0.000 0.530 252 F N -0.893 119.023 119.950 -0.056 0.000 2.581 252 F HA 0.568 5.095 4.527 -0.002 0.000 0.278 252 F C 0.340 175.958 175.800 -0.303 0.000 1.000 252 F CA -0.079 57.757 58.000 -0.274 0.000 1.230 252 F CB 0.501 39.201 39.000 -0.500 0.000 1.008 252 F HN 0.116 nan 8.300 nan 0.000 0.695 253 W N 2.173 123.637 121.300 0.273 0.000 2.761 253 W HA 0.262 4.921 4.660 -0.001 0.000 0.340 253 W C 0.895 177.484 176.519 0.116 0.000 1.072 253 W CA -0.797 56.651 57.345 0.172 0.000 1.215 253 W CB 1.205 30.815 29.460 0.251 0.000 1.420 253 W HN 0.017 nan 8.180 nan 0.000 0.519 254 E N 1.075 121.475 120.200 0.333 0.000 2.001 254 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 254 E C 0.068 176.771 176.600 0.172 0.000 1.002 254 E CA 1.584 58.098 56.400 0.188 0.000 0.819 254 E CB -0.613 29.164 29.700 0.128 0.000 0.769 254 E HN 0.278 nan 8.360 nan 0.000 0.454 255 D N 1.524 122.016 120.400 0.153 0.000 2.385 255 D HA 0.329 4.968 4.640 -0.001 0.000 0.254 255 D C -2.202 174.177 176.300 0.131 0.000 1.053 255 D CA -1.757 52.306 54.000 0.104 0.000 0.992 255 D CB 0.927 41.755 40.800 0.046 0.000 1.145 255 D HN 0.065 nan 8.370 nan 0.000 0.523 256 P HA 0.089 nan 4.420 nan 0.000 0.271 256 P C -0.548 176.784 177.300 0.054 0.000 1.216 256 P CA -0.263 62.901 63.100 0.106 0.000 0.776 256 P CB 0.942 32.670 31.700 0.047 0.000 0.881 257 K N 2.382 122.856 120.400 0.124 0.000 2.207 257 K HA 0.391 4.710 4.320 -0.001 0.000 0.255 257 K C 0.136 176.712 176.600 -0.041 0.000 0.941 257 K CA -0.657 55.565 56.287 -0.108 0.000 0.825 257 K CB 1.971 34.300 32.500 -0.285 0.000 1.119 257 K HN 0.469 nan 8.250 nan 0.000 0.430 258 E N 1.733 121.740 120.200 -0.322 0.000 2.216 258 E HA 0.473 4.822 4.350 -0.001 0.000 0.279 258 E C -0.939 175.332 176.600 -0.548 0.000 0.997 258 E CA -0.478 55.833 56.400 -0.148 0.000 0.817 258 E CB 0.896 30.548 29.700 -0.079 0.000 1.096 258 E HN 0.218 nan 8.360 nan 0.000 0.393 259 F N 0.486 120.512 119.950 0.128 0.000 2.619 259 F HA 0.428 4.954 4.527 -0.001 0.000 0.308 259 F C -0.079 175.664 175.800 -0.095 0.000 1.097 259 F CA -0.919 57.105 58.000 0.040 0.000 0.953 259 F CB 1.470 40.477 39.000 0.012 0.000 1.287 259 F HN 0.442 nan 8.300 nan 0.000 0.446 260 A N 1.289 124.264 122.820 0.258 0.000 2.340 260 A HA 0.664 4.983 4.320 -0.001 0.000 0.268 260 A C 0.601 178.114 177.584 -0.118 0.000 1.100 260 A CA 0.141 52.159 52.037 -0.031 0.000 0.803 260 A CB 0.091 18.981 19.000 -0.184 0.000 1.043 260 A HN 1.008 nan 8.150 nan 0.000 0.488 261 G N 0.367 109.101 108.800 -0.110 0.000 2.647 261 G HA2 0.443 4.402 3.960 -0.001 0.000 0.271 261 G HA3 0.443 4.402 3.960 -0.001 0.000 0.271 261 G C 0.551 175.447 174.900 -0.006 0.000 1.300 261 G CA 0.062 45.124 45.100 -0.062 0.000 0.997 261 G HN 1.238 nan 8.290 nan 0.000 0.533 262 G N -1.348 107.516 108.800 0.107 0.000 2.372 262 G HA2 0.462 4.422 3.960 -0.001 0.000 0.283 262 G HA3 0.462 4.422 3.960 -0.001 0.000 0.283 262 G C -0.326 174.715 174.900 0.235 0.000 1.177 262 G CA 0.533 45.752 45.100 0.200 0.000 0.842 262 G HN 0.996 nan 8.290 nan 0.000 0.503 263 S N 0.194 116.033 115.700 0.231 0.000 2.535 263 S HA 0.501 4.970 4.470 -0.001 0.000 0.272 263 S C 0.918 175.570 174.600 0.086 0.000 1.149 263 S CA 0.301 58.640 58.200 0.231 0.000 0.888 263 S CB 1.320 64.621 63.200 0.169 0.000 1.110 263 S HN 1.419 nan 8.310 nan 0.000 0.463 264 A N 2.975 125.839 122.820 0.073 0.000 2.186 264 A HA 0.132 4.451 4.320 -0.001 0.000 0.219 264 A C 1.928 179.222 177.584 -0.483 0.000 1.159 264 A CA 1.773 53.563 52.037 -0.411 0.000 0.680 264 A CB -1.164 17.736 19.000 -0.167 0.000 0.787 264 A HN 1.317 nan 8.150 nan 0.000 0.467 265 G N -1.021 107.685 108.800 -0.155 0.000 2.586 265 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.215 265 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.215 265 G C 1.270 176.047 174.900 -0.206 0.000 1.128 265 G CA 0.706 45.764 45.100 -0.070 0.000 0.774 265 G HN 0.699 nan 8.290 nan 0.000 0.543 266 Q N -0.000 119.609 119.800 -0.317 0.000 2.360 266 Q HA 0.181 4.520 4.340 -0.001 0.000 0.202 266 Q C 0.974 176.793 176.000 -0.301 0.000 0.915 266 Q CA -0.292 55.365 55.803 -0.243 0.000 0.943 266 Q CB 0.569 29.258 28.738 -0.081 0.000 1.064 266 Q HN 0.293 nan 8.270 nan 0.000 0.511 267 S N -0.076 115.296 115.700 -0.548 0.000 2.510 267 S HA 0.068 4.537 4.470 -0.001 0.000 0.279 267 S C 0.922 175.373 174.600 -0.248 0.000 1.284 267 S CA -0.372 57.581 58.200 -0.411 0.000 1.059 267 S CB 0.840 63.759 63.200 -0.467 0.000 0.901 267 S HN 0.215 nan 8.310 nan 0.000 0.491 268 S N 4.038 119.497 115.700 -0.402 0.000 2.481 268 S HA -0.068 4.401 4.470 -0.001 0.000 0.231 268 S C 1.916 176.332 174.600 -0.307 0.000 0.996 268 S CA 0.559 58.420 58.200 -0.565 0.000 0.942 268 S CB -0.184 62.193 63.200 -1.373 0.000 0.768 268 S HN 0.627 nan 8.310 nan 0.000 0.520 269 V N 1.496 121.374 119.914 -0.060 0.000 2.219 269 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 269 V C 1.993 178.352 176.094 0.442 0.000 1.053 269 V CA 2.007 64.526 62.300 0.366 0.000 1.009 269 V CB -0.723 31.436 31.823 0.560 0.000 0.636 269 V HN 0.415 nan 8.190 nan 0.000 0.445 270 F N 0.075 120.106 119.950 0.135 0.000 2.146 270 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 270 F C 2.662 178.524 175.800 0.103 0.000 1.096 270 F CA 1.290 59.389 58.000 0.164 0.000 1.275 270 F CB -1.060 37.985 39.000 0.075 0.000 1.008 270 F HN 0.196 nan 8.300 nan 0.000 0.480 271 Q N -0.611 119.318 119.800 0.215 0.000 2.096 271 Q HA -0.252 4.087 4.340 -0.001 0.000 0.204 271 Q C 2.583 178.614 176.000 0.051 0.000 0.982 271 Q CA 1.944 57.804 55.803 0.096 0.000 0.850 271 Q CB -1.061 27.687 28.738 0.016 0.000 0.901 271 Q HN 0.635 nan 8.270 nan 0.000 0.422 272 C N 0.049 119.357 119.300 0.012 0.000 2.413 272 C HA -0.141 4.318 4.460 -0.001 0.000 0.276 272 C C 2.445 177.345 174.990 -0.149 0.000 1.236 272 C CA 0.448 59.421 59.018 -0.074 0.000 1.735 272 C CB -1.296 26.443 27.740 -0.001 0.000 2.031 272 C HN 0.369 nan 8.230 nan 0.000 0.474 273 F N 1.786 121.783 119.950 0.079 0.000 2.234 273 F HA -0.002 4.524 4.527 -0.001 0.000 0.299 273 F C 2.378 178.176 175.800 -0.005 0.000 1.087 273 F CA 2.005 60.010 58.000 0.009 0.000 1.340 273 F CB -0.737 38.222 39.000 -0.068 0.000 1.031 273 F HN 0.267 nan 8.300 nan 0.000 0.500 274 D N -0.039 120.458 120.400 0.163 0.000 2.117 274 D HA -0.128 4.512 4.640 -0.001 0.000 0.197 274 D C 2.571 178.923 176.300 0.087 0.000 0.987 274 D CA 1.129 55.192 54.000 0.106 0.000 0.829 274 D CB -0.482 40.375 40.800 0.094 0.000 0.961 274 D HN 0.091 nan 8.370 nan 0.000 0.460 275 V N 2.046 121.997 119.914 0.061 0.000 2.223 275 V HA -0.208 3.912 4.120 -0.001 0.000 0.244 275 V C 2.592 178.733 176.094 0.079 0.000 1.045 275 V CA 1.079 63.405 62.300 0.043 0.000 1.000 275 V CB -0.583 31.233 31.823 -0.012 0.000 0.635 275 V HN 0.250 nan 8.190 nan 0.000 0.445 276 L N 0.080 121.348 121.223 0.075 0.000 2.034 276 L HA -0.243 4.096 4.340 -0.001 0.000 0.217 276 L C 2.055 179.019 176.870 0.156 0.000 1.077 276 L CA 2.345 57.256 54.840 0.120 0.000 0.769 276 L CB -0.654 41.459 42.059 0.091 0.000 0.890 276 L HN 0.349 nan 8.230 nan 0.000 0.435 277 L N -0.295 121.018 121.223 0.151 0.000 2.627 277 L HA 0.129 4.468 4.340 -0.001 0.000 0.233 277 L C 1.368 178.387 176.870 0.249 0.000 1.144 277 L CA 0.476 55.426 54.840 0.185 0.000 0.892 277 L CB -0.638 41.419 42.059 -0.004 0.000 1.039 277 L HN 0.588 nan 8.230 nan 0.000 0.442 278 G N 1.215 110.122 108.800 0.179 0.000 2.198 278 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.260 278 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.260 278 G C 0.144 175.120 174.900 0.127 0.000 1.025 278 G CA -0.117 45.074 45.100 0.151 0.000 0.769 278 G HN 0.355 nan 8.290 nan 0.000 0.507 279 I N 0.701 121.334 120.570 0.106 0.000 2.325 279 I HA 0.175 4.344 4.170 -0.001 0.000 0.291 279 I C 0.800 176.957 176.117 0.066 0.000 1.019 279 I CA -0.445 60.904 61.300 0.082 0.000 1.302 279 I CB 1.197 39.236 38.000 0.066 0.000 1.401 279 I HN 0.104 nan 8.210 nan 0.000 0.485 280 Q N 6.768 126.603 119.800 0.058 0.000 3.247 280 Q HA 0.099 4.438 4.340 -0.001 0.000 0.326 280 Q C 0.579 176.608 176.000 0.048 0.000 1.402 280 Q CA -0.256 55.576 55.803 0.050 0.000 0.994 280 Q CB 0.496 29.261 28.738 0.045 0.000 1.647 280 Q HN 0.630 nan 8.270 nan 0.000 0.523 281 Q N 0.164 119.994 119.800 0.051 0.000 2.124 281 Q HA -0.092 4.247 4.340 -0.001 0.000 0.202 281 Q C 1.316 177.354 176.000 0.062 0.000 0.977 281 Q CA 1.485 57.321 55.803 0.055 0.000 0.850 281 Q CB -0.091 28.684 28.738 0.062 0.000 0.901 281 Q HN 0.427 nan 8.270 nan 0.000 0.429 282 T N 1.014 115.599 114.554 0.051 0.000 3.055 282 T HA 0.142 4.491 4.350 -0.001 0.000 0.265 282 T C 0.738 175.463 174.700 0.042 0.000 1.111 282 T CA 0.462 62.588 62.100 0.044 0.000 1.118 282 T CB -0.032 68.853 68.868 0.027 0.000 0.909 282 T HN 0.300 nan 8.240 nan 0.000 0.501 283 A N 0.629 123.474 122.820 0.042 0.000 2.332 283 A HA 0.637 4.956 4.320 -0.001 0.000 0.258 283 A C 1.019 178.630 177.584 0.045 0.000 1.087 283 A CA 0.270 52.330 52.037 0.038 0.000 0.802 283 A CB -0.445 18.576 19.000 0.035 0.000 1.042 283 A HN 0.769 nan 8.150 nan 0.000 0.489 284 G N -0.732 108.092 108.800 0.041 0.000 2.710 284 G HA2 0.317 4.276 3.960 -0.001 0.000 0.668 284 G HA3 0.317 4.276 3.960 -0.001 0.000 0.668 284 G C 0.560 175.489 174.900 0.048 0.000 1.320 284 G CA 0.006 45.133 45.100 0.045 0.000 0.860 284 G HN 1.872 nan 8.290 nan 0.000 0.538 285 G N -0.222 108.609 108.800 0.052 0.000 3.159 285 G HA2 0.630 4.589 3.960 -0.001 0.000 0.232 285 G HA3 0.630 4.589 3.960 -0.001 0.000 0.232 285 G C 1.072 176.016 174.900 0.075 0.000 1.116 285 G CA 1.118 46.251 45.100 0.055 0.000 0.767 285 G HN 1.718 nan 8.290 nan 0.000 0.547 286 G N -0.551 108.302 108.800 0.088 0.000 2.630 286 G HA2 0.087 4.047 3.960 -0.001 0.000 0.236 286 G HA3 0.087 4.047 3.960 -0.001 0.000 0.236 286 G C 0.899 175.899 174.900 0.167 0.000 1.248 286 G CA 0.050 45.226 45.100 0.126 0.000 0.844 286 G HN 0.254 nan 8.290 nan 0.000 0.588 287 H N 1.583 120.719 119.070 0.111 0.000 2.352 287 H HA -0.165 4.390 4.556 -0.001 0.000 0.299 287 H C 2.493 177.956 175.328 0.224 0.000 1.097 287 H CA 1.997 58.125 56.048 0.132 0.000 1.311 287 H CB -0.202 29.621 29.762 0.101 0.000 1.377 287 H HN 0.470 nan 8.280 nan 0.000 0.504 288 A N 1.437 124.488 122.820 0.385 0.000 1.858 288 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 288 A C 2.826 180.617 177.584 0.344 0.000 1.190 288 A CA 2.145 54.491 52.037 0.515 0.000 0.617 288 A CB -1.301 17.914 19.000 0.357 0.000 0.827 288 A HN 0.592 nan 8.150 nan 0.000 0.443 289 A N -0.740 122.200 122.820 0.200 0.000 1.892 289 A HA -0.283 4.037 4.320 -0.001 0.000 0.218 289 A C 2.143 179.785 177.584 0.097 0.000 1.188 289 A CA 1.928 54.044 52.037 0.132 0.000 0.631 289 A CB -0.746 18.309 19.000 0.093 0.000 0.822 289 A HN 0.674 nan 8.150 nan 0.000 0.447 290 Q N -1.995 117.847 119.800 0.071 0.000 2.096 290 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 290 Q C 1.962 177.971 176.000 0.015 0.000 0.982 290 Q CA 1.721 57.541 55.803 0.028 0.000 0.850 290 Q CB -0.340 28.402 28.738 0.007 0.000 0.901 290 Q HN 0.749 nan 8.270 nan 0.000 0.422 291 F N 1.160 121.026 119.950 -0.141 0.000 2.102 291 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 291 F C 1.771 177.547 175.800 -0.040 0.000 1.105 291 F CA 1.338 59.239 58.000 -0.165 0.000 1.239 291 F CB -0.211 38.592 39.000 -0.328 0.000 0.991 291 F HN -0.035 nan 8.300 nan 0.000 0.474 292 L N -0.192 121.008 121.223 -0.038 0.000 2.141 292 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 292 L C 2.462 179.251 176.870 -0.134 0.000 1.094 292 L CA 1.413 56.183 54.840 -0.117 0.000 0.763 292 L CB -0.730 41.386 42.059 0.094 0.000 0.908 292 L HN 0.245 nan 8.230 nan 0.000 0.437 293 Q N 0.489 120.248 119.800 -0.069 0.000 2.079 293 Q HA -0.240 4.099 4.340 -0.001 0.000 0.200 293 Q C 1.733 177.694 176.000 -0.066 0.000 0.974 293 Q CA 1.996 57.771 55.803 -0.046 0.000 0.840 293 Q CB -0.149 28.582 28.738 -0.012 0.000 0.898 293 Q HN 0.360 nan 8.270 nan 0.000 0.430 294 D N -1.150 119.192 120.400 -0.098 0.000 2.117 294 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 294 D C 1.541 177.831 176.300 -0.018 0.000 0.987 294 D CA 1.242 55.212 54.000 -0.050 0.000 0.829 294 D CB 0.029 40.803 40.800 -0.045 0.000 0.961 294 D HN 0.241 nan 8.370 nan 0.000 0.460 295 M N 0.156 119.603 119.600 -0.255 0.000 2.346 295 M HA -0.074 4.405 4.480 -0.001 0.000 0.263 295 M C 1.920 178.238 176.300 0.030 0.000 1.064 295 M CA 1.015 56.190 55.300 -0.209 0.000 1.083 295 M CB -0.729 31.551 32.600 -0.534 0.000 1.399 295 M HN 0.134 nan 8.290 nan 0.000 0.435 296 R N -0.507 119.987 120.500 -0.010 0.000 2.189 296 R HA -0.066 4.273 4.340 -0.001 0.000 0.223 296 R C 2.102 178.425 176.300 0.038 0.000 1.092 296 R CA 0.691 56.797 56.100 0.010 0.000 0.989 296 R CB -0.232 30.061 30.300 -0.012 0.000 0.876 296 R HN 0.425 nan 8.270 nan 0.000 0.457 297 R N -0.414 120.119 120.500 0.054 0.000 2.189 297 R HA -0.095 4.244 4.340 -0.001 0.000 0.223 297 R C 0.769 176.967 176.300 -0.170 0.000 1.092 297 R CA 1.009 57.071 56.100 -0.063 0.000 0.989 297 R CB 0.077 30.305 30.300 -0.121 0.000 0.876 297 R HN 0.284 nan 8.270 nan 0.000 0.457 298 Y N -0.437 119.839 120.300 -0.040 0.000 2.461 298 Y HA 0.217 4.766 4.550 -0.001 0.000 0.277 298 Y C 0.626 176.525 175.900 -0.002 0.000 1.182 298 Y CA -0.004 58.081 58.100 -0.026 0.000 1.276 298 Y CB 0.119 38.564 38.460 -0.026 0.000 1.087 298 Y HN -0.106 nan 8.280 nan 0.000 0.519 299 M N 0.700 120.365 119.600 0.108 0.000 2.478 299 M HA 0.365 4.844 4.480 -0.001 0.000 0.327 299 M C -2.475 173.856 176.300 0.052 0.000 1.187 299 M CA -1.998 53.361 55.300 0.099 0.000 1.022 299 M CB 0.928 33.575 32.600 0.080 0.000 1.629 299 M HN -0.235 nan 8.290 nan 0.000 0.461 300 P HA -0.019 nan 4.420 nan 0.000 0.264 300 P C -1.920 175.342 177.300 -0.064 0.000 1.183 300 P CA -0.682 62.375 63.100 -0.071 0.000 0.763 300 P CB -0.129 31.418 31.700 -0.255 0.000 0.807 301 P HA -0.321 nan 4.420 nan 0.000 0.216 301 P C 1.114 178.408 177.300 -0.010 0.000 1.157 301 P CA 2.175 65.254 63.100 -0.036 0.000 0.880 301 P CB -0.304 31.365 31.700 -0.051 0.000 0.791 302 A N -0.054 122.692 122.820 -0.123 0.000 1.917 302 A HA -0.252 4.067 4.320 -0.001 0.000 0.219 302 A C 2.190 179.943 177.584 0.282 0.000 1.182 302 A CA 1.923 53.942 52.037 -0.029 0.000 0.633 302 A CB -2.040 16.701 19.000 -0.432 0.000 0.819 302 A HN 0.342 nan 8.150 nan 0.000 0.448 303 H N -0.557 118.610 119.070 0.162 0.000 2.357 303 H HA -0.113 4.442 4.556 -0.001 0.000 0.301 303 H C 2.437 177.873 175.328 0.180 0.000 1.082 303 H CA 1.217 57.410 56.048 0.241 0.000 1.342 303 H CB -0.038 29.812 29.762 0.146 0.000 1.389 303 H HN 0.672 nan 8.280 nan 0.000 0.511 304 R N 0.965 121.594 120.500 0.214 0.000 2.148 304 R HA -0.071 4.268 4.340 -0.001 0.000 0.227 304 R C 1.459 177.826 176.300 0.111 0.000 1.103 304 R CA 1.418 57.589 56.100 0.117 0.000 0.983 304 R CB -0.171 30.165 30.300 0.060 0.000 0.874 304 R HN 0.226 nan 8.270 nan 0.000 0.451 305 N N 0.704 119.504 118.700 0.166 0.000 2.188 305 N HA -0.154 4.585 4.740 -0.001 0.000 0.184 305 N C 1.373 176.929 175.510 0.077 0.000 1.018 305 N CA 1.139 54.297 53.050 0.179 0.000 0.858 305 N CB -0.387 38.286 38.487 0.309 0.000 0.989 305 N HN 0.211 nan 8.380 nan 0.000 0.426 306 F N 1.854 121.713 119.950 -0.152 0.000 2.102 306 F HA -0.030 4.497 4.527 -0.001 0.000 0.298 306 F C 2.082 177.724 175.800 -0.264 0.000 1.105 306 F CA 1.013 58.668 58.000 -0.575 0.000 1.239 306 F CB -0.452 38.361 39.000 -0.311 0.000 0.991 306 F HN -0.071 nan 8.300 nan 0.000 0.474 307 L N -0.026 121.131 121.223 -0.109 0.000 2.042 307 L HA -0.298 4.041 4.340 -0.001 0.000 0.210 307 L C 2.901 179.645 176.870 -0.210 0.000 1.076 307 L CA 1.773 56.504 54.840 -0.182 0.000 0.749 307 L CB -1.081 40.954 42.059 -0.040 0.000 0.893 307 L HN 0.547 nan 8.230 nan 0.000 0.432 308 C N -1.809 117.411 119.300 -0.134 0.000 2.468 308 C HA -0.019 4.440 4.460 -0.001 0.000 0.277 308 C C 3.237 178.137 174.990 -0.151 0.000 1.400 308 C CA 0.302 59.253 59.018 -0.112 0.000 1.770 308 C CB -0.610 27.101 27.740 -0.050 0.000 1.905 308 C HN 0.589 nan 8.230 nan 0.000 0.519 309 S N 0.912 116.489 115.700 -0.204 0.000 2.399 309 S HA -0.099 4.370 4.470 -0.001 0.000 0.231 309 S C 1.896 176.325 174.600 -0.285 0.000 1.022 309 S CA 1.686 59.770 58.200 -0.195 0.000 0.983 309 S CB -0.707 62.394 63.200 -0.165 0.000 0.803 309 S HN 0.767 nan 8.310 nan 0.000 0.480 310 L N 0.882 121.872 121.223 -0.388 0.000 2.056 310 L HA -0.031 4.308 4.340 -0.001 0.000 0.207 310 L C 2.829 179.581 176.870 -0.196 0.000 1.078 310 L CA 1.613 56.261 54.840 -0.320 0.000 0.749 310 L CB -0.562 41.293 42.059 -0.340 0.000 0.901 310 L HN 0.442 nan 8.230 nan 0.000 0.433 311 E N -0.296 119.810 120.200 -0.157 0.000 2.265 311 E HA -0.183 4.166 4.350 -0.001 0.000 0.196 311 E C 1.992 178.534 176.600 -0.096 0.000 0.996 311 E CA 1.414 57.759 56.400 -0.091 0.000 0.832 311 E CB -0.017 29.642 29.700 -0.069 0.000 0.756 311 E HN 0.492 nan 8.360 nan 0.000 0.491 312 S N 0.139 115.758 115.700 -0.135 0.000 2.575 312 S HA 0.066 4.535 4.470 -0.001 0.000 0.215 312 S C 0.661 175.150 174.600 -0.184 0.000 0.966 312 S CA -0.444 57.680 58.200 -0.127 0.000 0.911 312 S CB 0.148 63.285 63.200 -0.106 0.000 0.780 312 S HN 0.008 nan 8.310 nan 0.000 0.514 313 N N 3.431 121.961 118.700 -0.283 0.000 2.463 313 N HA 0.406 5.145 4.740 -0.001 0.000 0.270 313 N C -2.680 172.697 175.510 -0.223 0.000 1.205 313 N CA -1.314 51.468 53.050 -0.446 0.000 0.974 313 N CB 0.497 38.296 38.487 -1.147 0.000 1.197 313 N HN 0.261 nan 8.380 nan 0.000 0.504 314 P HA 0.005 nan 4.420 nan 0.000 0.271 314 P C -0.350 177.019 177.300 0.114 0.000 1.216 314 P CA -0.139 62.947 63.100 -0.022 0.000 0.776 314 P CB 0.529 32.203 31.700 -0.045 0.000 0.881 315 S N 1.779 117.540 115.700 0.100 0.000 2.481 315 S HA 0.057 4.526 4.470 -0.001 0.000 0.282 315 S C 1.548 176.262 174.600 0.189 0.000 1.243 315 S CA -0.680 57.609 58.200 0.147 0.000 1.078 315 S CB -0.334 62.923 63.200 0.096 0.000 0.916 315 S HN 0.211 nan 8.310 nan 0.000 0.495 316 V N 6.863 126.917 119.914 0.233 0.000 2.407 316 V HA -0.163 3.956 4.120 -0.001 0.000 0.248 316 V C 2.587 178.770 176.094 0.148 0.000 1.055 316 V CA 2.271 64.715 62.300 0.240 0.000 1.049 316 V CB -0.825 31.125 31.823 0.211 0.000 0.662 316 V HN 0.865 nan 8.190 nan 0.000 0.455 317 R N 0.093 120.639 120.500 0.077 0.000 2.070 317 R HA -0.166 4.174 4.340 -0.001 0.000 0.233 317 R C 2.383 178.603 176.300 -0.133 0.000 1.137 317 R CA 1.665 57.650 56.100 -0.192 0.000 0.945 317 R CB -0.209 30.059 30.300 -0.053 0.000 0.845 317 R HN 0.430 nan 8.270 nan 0.000 0.430 318 E N 0.134 120.337 120.200 0.004 0.000 2.118 318 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 318 E C 1.674 178.323 176.600 0.082 0.000 0.992 318 E CA 0.928 57.344 56.400 0.026 0.000 0.804 318 E CB -0.427 29.305 29.700 0.054 0.000 0.741 318 E HN 0.311 nan 8.360 nan 0.000 0.458 319 F N 1.448 121.371 119.950 -0.045 0.000 2.075 319 F HA -0.181 4.346 4.527 -0.001 0.000 0.297 319 F C 2.259 178.022 175.800 -0.061 0.000 1.113 319 F CA 0.907 58.889 58.000 -0.031 0.000 1.218 319 F CB -0.657 38.345 39.000 0.003 0.000 0.984 319 F HN -0.201 nan 8.300 nan 0.000 0.472 320 V N 0.745 120.528 119.914 -0.218 0.000 2.392 320 V HA -0.306 3.813 4.120 -0.001 0.000 0.249 320 V C 2.637 178.571 176.094 -0.266 0.000 1.059 320 V CA 1.883 63.977 62.300 -0.344 0.000 1.051 320 V CB -0.745 30.882 31.823 -0.326 0.000 0.658 320 V HN 0.379 nan 8.190 nan 0.000 0.455 321 L N 0.659 121.756 121.223 -0.210 0.000 2.093 321 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 321 L C 2.474 179.283 176.870 -0.103 0.000 1.085 321 L CA 1.769 56.520 54.840 -0.149 0.000 0.755 321 L CB -0.522 41.465 42.059 -0.120 0.000 0.904 321 L HN 0.561 nan 8.230 nan 0.000 0.435 322 S N -1.250 114.403 115.700 -0.078 0.000 2.660 322 S HA -0.020 4.449 4.470 -0.001 0.000 0.228 322 S C 0.935 175.495 174.600 -0.066 0.000 0.966 322 S CA 0.299 58.476 58.200 -0.039 0.000 0.940 322 S CB -0.133 63.084 63.200 0.029 0.000 0.773 322 S HN 0.204 nan 8.310 nan 0.000 0.535 323 K N 1.759 122.081 120.400 -0.130 0.000 3.205 323 K HA 0.284 4.603 4.320 -0.001 0.000 0.202 323 K C 0.675 177.213 176.600 -0.103 0.000 1.160 323 K CA -0.041 56.166 56.287 -0.133 0.000 0.995 323 K CB 0.180 32.538 32.500 -0.238 0.000 1.041 323 K HN 0.346 nan 8.250 nan 0.000 0.507 324 G N 2.336 111.092 108.800 -0.073 0.000 1.967 324 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.244 324 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.244 324 G C -0.155 174.708 174.900 -0.062 0.000 0.709 324 G CA 0.592 45.656 45.100 -0.059 0.000 0.899 324 G HN 0.329 nan 8.290 nan 0.000 0.392 325 D N 0.323 120.674 120.400 -0.081 0.000 2.464 325 D HA 0.536 5.175 4.640 -0.001 0.000 0.243 325 D C 1.248 177.510 176.300 -0.064 0.000 1.104 325 D CA -0.004 53.951 54.000 -0.075 0.000 0.883 325 D CB 0.854 41.591 40.800 -0.105 0.000 1.050 325 D HN 0.110 nan 8.370 nan 0.000 0.524 326 A N 3.335 126.129 122.820 -0.044 0.000 1.892 326 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 326 A C 2.061 179.629 177.584 -0.027 0.000 1.188 326 A CA 2.077 54.095 52.037 -0.031 0.000 0.631 326 A CB -0.993 17.993 19.000 -0.023 0.000 0.822 326 A HN 0.611 nan 8.150 nan 0.000 0.447 327 G N -0.096 108.687 108.800 -0.028 0.000 2.599 327 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.219 327 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.219 327 G C 1.581 176.469 174.900 -0.020 0.000 1.193 327 G CA 1.292 46.379 45.100 -0.023 0.000 0.778 327 G HN 0.453 nan 8.290 nan 0.000 0.589 328 L N -0.337 120.862 121.223 -0.040 0.000 1.970 328 L HA -0.110 4.229 4.340 -0.001 0.000 0.212 328 L C 3.263 180.132 176.870 -0.001 0.000 1.071 328 L CA 1.507 56.322 54.840 -0.042 0.000 0.751 328 L CB -0.465 41.524 42.059 -0.117 0.000 0.889 328 L HN 0.193 nan 8.230 nan 0.000 0.432 329 R N 0.029 120.514 120.500 -0.026 0.000 2.112 329 R HA -0.238 4.101 4.340 -0.001 0.000 0.242 329 R C 2.179 178.530 176.300 0.084 0.000 1.137 329 R CA 1.976 58.082 56.100 0.010 0.000 0.944 329 R CB -0.472 29.815 30.300 -0.021 0.000 0.857 329 R HN 0.479 nan 8.270 nan 0.000 0.435 330 E N 0.214 120.438 120.200 0.039 0.000 2.058 330 E HA -0.196 4.153 4.350 -0.001 0.000 0.194 330 E C 2.068 178.689 176.600 0.034 0.000 0.997 330 E CA 1.288 57.708 56.400 0.033 0.000 0.801 330 E CB -0.152 29.553 29.700 0.007 0.000 0.746 330 E HN 0.394 nan 8.360 nan 0.000 0.450 331 A N 0.569 123.409 122.820 0.033 0.000 1.933 331 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 331 A C 2.034 179.640 177.584 0.036 0.000 1.175 331 A CA 1.502 53.551 52.037 0.020 0.000 0.628 331 A CB -0.761 18.250 19.000 0.018 0.000 0.814 331 A HN 0.451 nan 8.150 nan 0.000 0.444 332 Y N 0.960 121.237 120.300 -0.039 0.000 2.163 332 Y HA -0.209 4.340 4.550 -0.001 0.000 0.288 332 Y C 1.885 177.766 175.900 -0.033 0.000 1.136 332 Y CA 2.065 60.146 58.100 -0.032 0.000 1.147 332 Y CB -0.241 38.204 38.460 -0.026 0.000 0.987 332 Y HN 0.327 nan 8.280 nan 0.000 0.509 333 D N 0.346 120.797 120.400 0.085 0.000 2.149 333 D HA -0.201 4.438 4.640 -0.001 0.000 0.198 333 D C 2.313 178.543 176.300 -0.117 0.000 0.990 333 D CA 1.437 55.424 54.000 -0.021 0.000 0.839 333 D CB -0.658 40.175 40.800 0.056 0.000 0.948 333 D HN 0.506 nan 8.370 nan 0.000 0.460 334 A N 0.306 123.073 122.820 -0.088 0.000 1.903 334 A HA -0.277 4.042 4.320 -0.001 0.000 0.219 334 A C 2.549 180.035 177.584 -0.163 0.000 1.191 334 A CA 1.822 53.797 52.037 -0.103 0.000 0.638 334 A CB -1.081 17.871 19.000 -0.080 0.000 0.823 334 A HN 0.401 nan 8.150 nan 0.000 0.451 335 C N -1.577 117.589 119.300 -0.223 0.000 2.446 335 C HA -0.022 4.437 4.460 -0.001 0.000 0.277 335 C C 2.740 177.553 174.990 -0.294 0.000 1.275 335 C CA 0.893 59.743 59.018 -0.280 0.000 1.727 335 C CB -1.281 26.276 27.740 -0.305 0.000 2.010 335 C HN 0.467 nan 8.230 nan 0.000 0.486 336 V N 1.056 120.767 119.914 -0.338 0.000 2.343 336 V HA -0.199 3.920 4.120 -0.001 0.000 0.247 336 V C 2.683 178.680 176.094 -0.163 0.000 1.051 336 V CA 1.668 63.814 62.300 -0.256 0.000 1.036 336 V CB -0.635 31.034 31.823 -0.257 0.000 0.654 336 V HN 0.486 nan 8.190 nan 0.000 0.451 337 K N 0.199 120.515 120.400 -0.141 0.000 2.063 337 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 337 K C 2.269 178.804 176.600 -0.107 0.000 1.048 337 K CA 1.614 57.843 56.287 -0.096 0.000 0.928 337 K CB -0.484 31.970 32.500 -0.077 0.000 0.713 337 K HN 0.464 nan 8.250 nan 0.000 0.442 338 A N 1.298 124.030 122.820 -0.147 0.000 1.940 338 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 338 A C 2.273 179.755 177.584 -0.170 0.000 1.176 338 A CA 1.234 53.173 52.037 -0.164 0.000 0.631 338 A CB -0.502 18.365 19.000 -0.221 0.000 0.814 338 A HN 0.246 nan 8.150 nan 0.000 0.446 339 L N -0.276 120.833 121.223 -0.189 0.000 2.027 339 L HA -0.146 4.193 4.340 -0.001 0.000 0.206 339 L C 2.783 179.609 176.870 -0.073 0.000 1.074 339 L CA 1.575 56.311 54.840 -0.174 0.000 0.745 339 L CB -0.569 41.394 42.059 -0.160 0.000 0.898 339 L HN 0.471 nan 8.230 nan 0.000 0.433 340 V N -3.424 116.455 119.914 -0.057 0.000 2.407 340 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 340 V C 2.408 178.500 176.094 -0.003 0.000 1.055 340 V CA 2.152 64.441 62.300 -0.019 0.000 1.049 340 V CB -0.394 31.416 31.823 -0.021 0.000 0.662 340 V HN 0.334 nan 8.190 nan 0.000 0.455 341 S N 0.531 116.218 115.700 -0.022 0.000 2.359 341 S HA -0.093 4.376 4.470 -0.001 0.000 0.224 341 S C 1.839 176.454 174.600 0.024 0.000 1.035 341 S CA 2.203 60.401 58.200 -0.004 0.000 1.018 341 S CB -0.560 62.621 63.200 -0.032 0.000 0.876 341 S HN 0.638 nan 8.310 nan 0.000 0.448 342 L N 0.806 122.037 121.223 0.012 0.000 2.017 342 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 342 L C 2.758 179.704 176.870 0.127 0.000 1.073 342 L CA 1.346 56.227 54.840 0.068 0.000 0.745 342 L CB -0.368 41.752 42.059 0.102 0.000 0.894 342 L HN 0.236 nan 8.230 nan 0.000 0.432 343 R N -0.887 119.693 120.500 0.133 0.000 2.075 343 R HA -0.104 4.235 4.340 -0.001 0.000 0.232 343 R C 2.457 178.825 176.300 0.113 0.000 1.126 343 R CA 1.514 57.698 56.100 0.141 0.000 0.963 343 R CB -0.419 29.938 30.300 0.095 0.000 0.858 343 R HN 0.266 nan 8.270 nan 0.000 0.435 344 S N 0.418 116.161 115.700 0.072 0.000 2.370 344 S HA -0.200 4.269 4.470 -0.001 0.000 0.226 344 S C 1.643 176.268 174.600 0.041 0.000 1.033 344 S CA 1.288 59.517 58.200 0.048 0.000 1.011 344 S CB -0.398 62.825 63.200 0.039 0.000 0.852 344 S HN 0.358 nan 8.310 nan 0.000 0.457 345 Y N 1.780 122.029 120.300 -0.085 0.000 2.181 345 Y HA -0.200 4.349 4.550 -0.001 0.000 0.288 345 Y C 2.508 178.281 175.900 -0.211 0.000 1.146 345 Y CA 1.927 59.925 58.100 -0.170 0.000 1.164 345 Y CB -0.563 37.734 38.460 -0.271 0.000 0.982 345 Y HN 0.422 nan 8.280 nan 0.000 0.515 346 H N 0.004 118.940 119.070 -0.224 0.000 2.387 346 H HA -0.183 4.372 4.556 -0.001 0.000 0.299 346 H C 2.139 177.397 175.328 -0.117 0.000 1.099 346 H CA 2.031 57.965 56.048 -0.190 0.000 1.315 346 H CB -0.220 29.537 29.762 -0.008 0.000 1.380 346 H HN 0.413 nan 8.280 nan 0.000 0.513 347 L N 0.492 121.690 121.223 -0.042 0.000 2.017 347 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 347 L C 2.927 179.712 176.870 -0.141 0.000 1.073 347 L CA 1.436 56.234 54.840 -0.069 0.000 0.745 347 L CB -0.412 41.637 42.059 -0.016 0.000 0.894 347 L HN 0.339 nan 8.230 nan 0.000 0.432 348 Q N -0.266 119.417 119.800 -0.195 0.000 2.135 348 Q HA -0.218 4.122 4.340 -0.001 0.000 0.204 348 Q C 2.285 178.162 176.000 -0.206 0.000 0.981 348 Q CA 1.455 57.130 55.803 -0.213 0.000 0.856 348 Q CB -0.098 28.454 28.738 -0.310 0.000 0.902 348 Q HN 0.552 nan 8.270 nan 0.000 0.425 349 I N -0.127 120.260 120.570 -0.304 0.000 2.252 349 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 349 I C 2.102 178.166 176.117 -0.089 0.000 1.102 349 I CA 0.814 61.993 61.300 -0.201 0.000 1.385 349 I CB -0.174 37.635 38.000 -0.318 0.000 1.064 349 I HN 0.078 nan 8.210 nan 0.000 0.414 350 V N 0.480 120.282 119.914 -0.186 0.000 2.358 350 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 350 V C 2.484 178.564 176.094 -0.023 0.000 1.047 350 V CA 2.253 64.495 62.300 -0.097 0.000 1.035 350 V CB -0.971 30.787 31.823 -0.109 0.000 0.658 350 V HN 0.445 nan 8.190 nan 0.000 0.452 351 T N -0.135 114.387 114.554 -0.053 0.000 2.597 351 T HA -0.327 4.023 4.350 -0.001 0.000 0.267 351 T C 1.971 176.636 174.700 -0.057 0.000 1.053 351 T CA 2.314 64.381 62.100 -0.054 0.000 1.165 351 T CB -0.261 68.566 68.868 -0.067 0.000 0.863 351 T HN 0.500 nan 8.240 nan 0.000 0.427 352 K N -0.340 120.037 120.400 -0.038 0.000 2.057 352 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 352 K C 1.436 177.924 176.600 -0.187 0.000 1.050 352 K CA 1.303 57.533 56.287 -0.095 0.000 0.935 352 K CB -0.132 32.346 32.500 -0.035 0.000 0.715 352 K HN 0.394 nan 8.250 nan 0.000 0.439 353 Y N -0.327 119.917 120.300 -0.094 0.000 2.468 353 Y HA 0.238 4.787 4.550 -0.001 0.000 0.268 353 Y C 1.255 177.218 175.900 0.105 0.000 1.177 353 Y CA 0.024 58.095 58.100 -0.048 0.000 1.265 353 Y CB 0.501 38.793 38.460 -0.280 0.000 1.103 353 Y HN 0.050 nan 8.280 nan 0.000 0.522 354 I N -2.930 117.704 120.570 0.106 0.000 3.639 354 I HA -0.124 4.045 4.170 -0.001 0.000 0.265 354 I C 1.616 177.637 176.117 -0.160 0.000 1.087 354 I CA 0.087 61.441 61.300 0.090 0.000 1.427 354 I CB -0.003 38.124 38.000 0.211 0.000 1.824 354 I HN -0.118 nan 8.210 nan 0.000 0.391 355 L N 1.608 122.776 121.223 -0.091 0.000 1.978 355 L HA -0.272 4.067 4.340 -0.001 0.000 0.218 355 L C 2.535 179.291 176.870 -0.190 0.000 1.075 355 L CA 2.025 56.793 54.840 -0.121 0.000 0.767 355 L CB -0.592 41.421 42.059 -0.076 0.000 0.890 355 L HN 0.288 nan 8.230 nan 0.000 0.434 356 I N -0.371 120.091 120.570 -0.180 0.000 2.113 356 I HA -0.217 3.952 4.170 -0.001 0.000 0.238 356 I C -0.207 175.744 176.117 -0.276 0.000 1.070 356 I CA 1.560 62.745 61.300 -0.192 0.000 1.332 356 I CB -1.561 36.341 38.000 -0.162 0.000 1.044 356 I HN 0.187 nan 8.210 nan 0.000 0.402 357 P HA -0.183 nan 4.420 nan 0.000 0.217 357 P C 1.273 178.093 177.300 -0.801 0.000 1.148 357 P CA 1.757 64.542 63.100 -0.525 0.000 0.828 357 P CB -0.029 31.343 31.700 -0.547 0.000 0.783 358 A N -0.378 121.866 122.820 -0.959 0.000 2.168 358 A HA -0.065 4.254 4.320 -0.001 0.000 0.215 358 A C 1.934 179.350 177.584 -0.281 0.000 1.152 358 A CA 1.444 53.066 52.037 -0.691 0.000 0.716 358 A CB -1.181 17.561 19.000 -0.430 0.000 0.794 358 A HN 0.307 nan 8.150 nan 0.000 0.465 359 S N -0.704 114.848 115.700 -0.247 0.000 2.660 359 S HA 0.312 4.781 4.470 -0.001 0.000 0.227 359 S C 0.288 174.818 174.600 -0.117 0.000 0.948 359 S CA -0.016 58.098 58.200 -0.143 0.000 0.948 359 S CB -0.520 62.605 63.200 -0.124 0.000 0.779 359 S HN 0.761 nan 8.310 nan 0.000 0.487 381 G N 0.657 109.451 108.800 -0.010 0.000 3.186 381 G HA2 0.342 4.302 3.960 -0.001 0.000 0.214 381 G HA3 0.342 4.302 3.960 -0.001 0.000 0.214 381 G C 0.975 175.873 174.900 -0.003 0.000 1.222 381 G CA 1.672 46.770 45.100 -0.002 0.000 0.921 381 G HN 0.496 nan 8.290 nan 0.000 0.504 382 T N 0.173 114.720 114.554 -0.012 0.000 3.057 382 T HA 0.011 4.360 4.350 -0.001 0.000 0.254 382 T C 1.774 176.470 174.700 -0.006 0.000 1.094 382 T CA 0.424 62.520 62.100 -0.008 0.000 1.088 382 T CB 0.046 68.906 68.868 -0.013 0.000 0.934 382 T HN 0.182 nan 8.240 nan 0.000 0.497 383 D N 1.588 121.971 120.400 -0.028 0.000 2.221 383 D HA -0.055 4.584 4.640 -0.001 0.000 0.204 383 D C 1.926 178.230 176.300 0.006 0.000 0.982 383 D CA 0.432 54.400 54.000 -0.054 0.000 0.857 383 D CB -0.279 40.447 40.800 -0.123 0.000 0.934 383 D HN 0.218 nan 8.370 nan 0.000 0.475 384 L N 0.401 121.636 121.223 0.020 0.000 1.961 384 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 384 L C 2.044 179.000 176.870 0.143 0.000 1.072 384 L CA 1.675 56.562 54.840 0.078 0.000 0.749 384 L CB -0.678 41.412 42.059 0.053 0.000 0.889 384 L HN -0.076 nan 8.230 nan 0.000 0.432 385 M N -0.221 119.426 119.600 0.079 0.000 2.149 385 M HA -0.196 4.283 4.480 -0.001 0.000 0.261 385 M C 2.035 178.373 176.300 0.063 0.000 1.064 385 M CA 1.376 56.715 55.300 0.064 0.000 1.102 385 M CB -1.635 30.981 32.600 0.026 0.000 1.369 385 M HN 0.403 nan 8.290 nan 0.000 0.408 386 N N -0.037 118.700 118.700 0.062 0.000 2.188 386 N HA -0.127 4.613 4.740 -0.001 0.000 0.184 386 N C 1.571 177.134 175.510 0.087 0.000 1.018 386 N CA 0.905 53.986 53.050 0.051 0.000 0.858 386 N CB -0.524 37.982 38.487 0.031 0.000 0.989 386 N HN 0.338 nan 8.380 nan 0.000 0.426 387 F N 2.119 122.077 119.950 0.013 0.000 2.051 387 F HA -0.086 4.440 4.527 -0.001 0.000 0.296 387 F C 2.094 177.935 175.800 0.069 0.000 1.122 387 F CA 1.195 59.230 58.000 0.058 0.000 1.201 387 F CB -0.690 38.337 39.000 0.045 0.000 0.978 387 F HN -0.106 nan 8.300 nan 0.000 0.472 388 L N 0.404 121.526 121.223 -0.169 0.000 2.013 388 L HA -0.284 4.055 4.340 -0.001 0.000 0.212 388 L C 2.532 179.300 176.870 -0.170 0.000 1.073 388 L CA 2.007 56.709 54.840 -0.229 0.000 0.753 388 L CB -0.850 41.258 42.059 0.082 0.000 0.890 388 L HN 0.160 nan 8.230 nan 0.000 0.432 389 K N -0.846 119.511 120.400 -0.072 0.000 2.147 389 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 389 K C 2.066 178.628 176.600 -0.064 0.000 1.049 389 K CA 1.590 57.849 56.287 -0.046 0.000 0.936 389 K CB -0.202 32.290 32.500 -0.014 0.000 0.722 389 K HN 0.303 nan 8.250 nan 0.000 0.446 390 T N 0.860 115.361 114.554 -0.089 0.000 2.777 390 T HA -0.088 4.261 4.350 -0.001 0.000 0.266 390 T C 2.000 176.641 174.700 -0.097 0.000 1.040 390 T CA 1.003 63.065 62.100 -0.065 0.000 1.141 390 T CB -0.095 68.758 68.868 -0.024 0.000 0.868 390 T HN -0.062 nan 8.240 nan 0.000 0.444 391 V N 1.678 121.465 119.914 -0.212 0.000 2.295 391 V HA -0.193 3.926 4.120 -0.001 0.000 0.246 391 V C 2.616 178.659 176.094 -0.084 0.000 1.049 391 V CA 1.963 64.156 62.300 -0.178 0.000 1.024 391 V CB -0.614 31.015 31.823 -0.323 0.000 0.648 391 V HN 0.383 nan 8.190 nan 0.000 0.447 392 R N 0.146 120.597 120.500 -0.080 0.000 2.080 392 R HA -0.204 4.135 4.340 -0.001 0.000 0.236 392 R C 2.615 178.903 176.300 -0.019 0.000 1.137 392 R CA 2.106 58.188 56.100 -0.030 0.000 0.943 392 R CB -0.644 29.646 30.300 -0.017 0.000 0.846 392 R HN 0.464 nan 8.270 nan 0.000 0.431 393 S N -0.620 115.067 115.700 -0.022 0.000 2.374 393 S HA -0.161 4.308 4.470 -0.001 0.000 0.227 393 S C 1.772 176.371 174.600 -0.001 0.000 1.037 393 S CA 2.055 60.250 58.200 -0.009 0.000 1.024 393 S CB -0.477 62.718 63.200 -0.008 0.000 0.861 393 S HN 0.588 nan 8.310 nan 0.000 0.456 394 T N 1.347 115.899 114.554 -0.004 0.000 2.759 394 T HA -0.089 4.260 4.350 -0.001 0.000 0.269 394 T C 1.888 176.597 174.700 0.016 0.000 1.042 394 T CA 1.919 64.025 62.100 0.010 0.000 1.140 394 T CB -0.889 67.986 68.868 0.012 0.000 0.864 394 T HN 0.570 nan 8.240 nan 0.000 0.455 395 T N 1.653 116.212 114.554 0.008 0.000 2.674 395 T HA -0.083 4.266 4.350 -0.001 0.000 0.265 395 T C 1.897 176.599 174.700 0.004 0.000 1.039 395 T CA 1.113 63.216 62.100 0.006 0.000 1.150 395 T CB -0.266 68.600 68.868 -0.004 0.000 0.864 395 T HN 0.474 nan 8.240 nan 0.000 0.427 396 E N 0.951 121.153 120.200 0.002 0.000 2.070 396 E HA -0.170 4.179 4.350 -0.001 0.000 0.197 396 E C 2.262 178.873 176.600 0.018 0.000 1.004 396 E CA 1.101 57.504 56.400 0.004 0.000 0.805 396 E CB -0.075 29.626 29.700 0.003 0.000 0.744 396 E HN 0.397 nan 8.360 nan 0.000 0.451 397 K N 0.043 120.456 120.400 0.021 0.000 2.286 397 K HA -0.107 4.212 4.320 -0.001 0.000 0.203 397 K C 1.999 178.627 176.600 0.047 0.000 1.045 397 K CA 1.037 57.342 56.287 0.029 0.000 0.935 397 K CB -0.000 32.516 32.500 0.027 0.000 0.737 397 K HN -0.042 nan 8.250 nan 0.000 0.460 398 S N 0.748 116.482 115.700 0.058 0.000 2.522 398 S HA 0.063 4.532 4.470 -0.001 0.000 0.227 398 S C 0.587 175.275 174.600 0.147 0.000 0.986 398 S CA 0.057 58.319 58.200 0.103 0.000 0.929 398 S CB -0.030 63.237 63.200 0.112 0.000 0.769 398 S HN 0.189 nan 8.310 nan 0.000 0.529 399 L N 1.661 122.941 121.223 0.094 0.000 2.543 399 L HA 0.022 4.361 4.340 -0.001 0.000 0.285 399 L C 1.243 178.182 176.870 0.115 0.000 1.236 399 L CA -0.013 54.889 54.840 0.105 0.000 0.871 399 L CB 0.347 42.435 42.059 0.049 0.000 1.121 399 L HN 0.243 nan 8.230 nan 0.000 0.501 400 L N 2.218 123.523 121.223 0.138 0.000 2.185 400 L HA 0.038 4.377 4.340 -0.001 0.000 0.198 400 L C 1.283 178.175 176.870 0.037 0.000 1.079 400 L CA 0.646 55.529 54.840 0.071 0.000 0.780 400 L CB -0.297 41.788 42.059 0.043 0.000 0.955 400 L HN 0.540 nan 8.230 nan 0.000 0.462 401 K N 0.977 121.400 120.400 0.039 0.000 3.041 401 K HA 0.050 4.369 4.320 -0.001 0.000 0.243 401 K C 1.060 177.669 176.600 0.016 0.000 1.167 401 K CA 0.120 56.418 56.287 0.019 0.000 1.235 401 K CB 0.463 32.971 32.500 0.013 0.000 1.205 401 K HN 0.165 nan 8.250 nan 0.000 0.448 402 E N 0.827 121.038 120.200 0.019 0.000 2.086 402 E HA -0.032 4.317 4.350 -0.001 0.000 0.190 402 E C 0.835 177.440 176.600 0.009 0.000 0.975 402 E CA 0.428 56.836 56.400 0.014 0.000 0.813 402 E CB 0.227 29.937 29.700 0.017 0.000 0.768 402 E HN 0.368 nan 8.360 nan 0.000 0.457 403 G N 0.000 108.805 108.800 0.008 0.000 5.446 403 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 403 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 403 G CA 0.000 45.103 45.100 0.005 0.000 0.502 403 G HN 0.000 nan 8.290 nan 0.000 0.925