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 2d0t_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 0.000 174.700 174.600 0.166 0.000 1.055 12 S CA 0.000 58.341 58.200 0.234 0.000 1.107 12 S CB 0.000 63.323 63.200 0.204 0.000 0.593 13 K N 1.235 121.731 120.400 0.161 0.000 2.731 13 K HA 0.224 4.543 4.320 -0.001 0.000 0.284 13 K C 0.819 177.391 176.600 -0.047 0.000 1.027 13 K CA -0.675 55.603 56.287 -0.015 0.000 1.040 13 K CB 0.122 32.544 32.500 -0.129 0.000 1.334 13 K HN 0.650 nan 8.250 nan 0.000 0.498 14 E N 1.176 121.310 120.200 -0.111 0.000 2.565 14 E HA -0.163 4.186 4.350 -0.001 0.000 0.212 14 E C -0.101 176.568 176.600 0.114 0.000 1.341 14 E CA 0.756 57.134 56.400 -0.036 0.000 1.236 14 E CB -0.985 28.685 29.700 -0.050 0.000 1.246 14 E HN 0.452 nan 8.360 nan 0.000 0.446 15 Y N 0.537 120.946 120.300 0.183 0.000 2.665 15 Y HA -0.018 4.531 4.550 -0.001 0.000 0.320 15 Y C 0.002 176.100 175.900 0.330 0.000 1.204 15 Y CA 0.596 58.831 58.100 0.225 0.000 1.315 15 Y CB -0.919 37.638 38.460 0.162 0.000 1.033 15 Y HN 0.282 nan 8.280 nan 0.000 0.509 16 H N -1.319 117.844 119.070 0.155 0.000 2.748 16 H HA -0.153 4.402 4.556 -0.001 0.000 0.322 16 H C -0.725 174.703 175.328 0.167 0.000 1.208 16 H CA 0.262 56.399 56.048 0.148 0.000 1.151 16 H CB -2.135 27.717 29.762 0.149 0.000 1.505 16 H HN 0.303 nan 8.280 nan 0.000 0.429 17 I N 0.734 121.354 120.570 0.085 0.000 2.411 17 I HA 0.158 4.327 4.170 -0.001 0.000 0.284 17 I C 0.350 176.399 176.117 -0.113 0.000 1.012 17 I CA -0.651 60.557 61.300 -0.152 0.000 1.119 17 I CB 1.466 39.199 38.000 -0.446 0.000 1.261 17 I HN 0.239 nan 8.210 nan 0.000 0.448 18 D N 5.406 125.754 120.400 -0.086 0.000 2.304 18 D HA 0.023 4.662 4.640 -0.001 0.000 0.247 18 D C 0.819 177.070 176.300 -0.083 0.000 1.089 18 D CA 0.041 54.011 54.000 -0.049 0.000 0.910 18 D CB 1.811 42.617 40.800 0.009 0.000 1.199 18 D HN 0.644 nan 8.370 nan 0.000 0.426 19 E N 1.609 121.777 120.200 -0.054 0.000 2.150 19 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 19 E C 1.540 178.111 176.600 -0.048 0.000 0.985 19 E CA 1.276 57.644 56.400 -0.054 0.000 0.814 19 E CB 0.230 29.911 29.700 -0.031 0.000 0.752 19 E HN 0.678 nan 8.360 nan 0.000 0.466 20 E N -1.268 118.914 120.200 -0.031 0.000 2.389 20 E HA 0.003 4.352 4.350 -0.001 0.000 0.199 20 E C 1.529 178.105 176.600 -0.041 0.000 0.978 20 E CA 0.306 56.690 56.400 -0.027 0.000 0.912 20 E CB 0.590 30.286 29.700 -0.006 0.000 0.907 20 E HN 0.059 nan 8.360 nan 0.000 0.494 21 V N 0.091 119.983 119.914 -0.036 0.000 3.645 21 V HA 0.291 4.410 4.120 -0.001 0.000 0.275 21 V C 1.210 177.263 176.094 -0.068 0.000 1.356 21 V CA 0.777 63.048 62.300 -0.048 0.000 1.051 21 V CB 0.223 32.061 31.823 0.026 0.000 0.828 21 V HN 0.618 nan 8.190 nan 0.000 0.441 22 G N 0.934 109.658 108.800 -0.127 0.000 2.536 22 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.280 22 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.280 22 G C 0.460 175.174 174.900 -0.310 0.000 1.152 22 G CA 0.750 45.676 45.100 -0.290 0.000 0.970 22 G HN 0.226 nan 8.290 nan 0.000 0.549 23 F N 2.911 122.797 119.950 -0.107 0.000 2.558 23 F HA 0.520 5.046 4.527 -0.002 0.000 0.298 23 F C 2.329 178.209 175.800 0.134 0.000 1.119 23 F CA 0.877 58.786 58.000 -0.152 0.000 1.451 23 F CB -0.519 38.302 39.000 -0.299 0.000 1.091 23 F HN 0.680 nan 8.300 nan 0.000 0.563 24 A N 0.633 123.597 122.820 0.240 0.000 2.406 24 A HA 0.321 4.641 4.320 -0.001 0.000 0.243 24 A C -0.359 177.415 177.584 0.317 0.000 1.082 24 A CA -0.444 51.739 52.037 0.242 0.000 0.786 24 A CB 0.006 19.045 19.000 0.065 0.000 1.029 24 A HN 0.176 nan 8.150 nan 0.000 0.495 25 L N 2.398 123.858 121.223 0.395 0.000 2.319 25 L HA 0.446 4.785 4.340 -0.001 0.000 0.280 25 L C -2.250 174.858 176.870 0.396 0.000 1.099 25 L CA -1.632 53.409 54.840 0.334 0.000 0.828 25 L CB 0.788 42.988 42.059 0.234 0.000 1.150 25 L HN 0.345 nan 8.230 nan 0.000 0.442 26 P HA 0.120 nan 4.420 nan 0.000 0.271 26 P C -0.833 176.520 177.300 0.087 0.000 1.216 26 P CA -0.051 63.203 63.100 0.256 0.000 0.771 26 P CB 0.356 32.142 31.700 0.142 0.000 0.864 27 N N 1.910 120.598 118.700 -0.020 0.000 2.684 27 N HA -0.153 4.587 4.740 -0.001 0.000 0.284 27 N C -1.989 173.313 175.510 -0.347 0.000 1.067 27 N CA -0.055 52.813 53.050 -0.303 0.000 0.791 27 N CB -0.548 37.864 38.487 -0.125 0.000 0.934 27 N HN 0.266 nan 8.380 nan 0.000 0.566 28 P HA -0.041 nan 4.420 nan 0.000 0.269 28 P C -0.344 176.778 177.300 -0.296 0.000 1.209 28 P CA -0.038 62.835 63.100 -0.379 0.000 0.776 28 P CB 0.674 32.090 31.700 -0.473 0.000 0.876 29 Q N 1.211 120.906 119.800 -0.174 0.000 2.361 29 Q HA -0.027 4.312 4.340 -0.001 0.000 0.276 29 Q C 0.771 176.701 176.000 -0.116 0.000 1.022 29 Q CA 0.504 56.236 55.803 -0.118 0.000 0.898 29 Q CB 0.401 29.102 28.738 -0.062 0.000 1.246 29 Q HN 0.415 nan 8.270 nan 0.000 0.410 30 E N 1.859 121.999 120.200 -0.101 0.000 2.413 30 E HA 0.115 4.464 4.350 -0.001 0.000 0.203 30 E C -0.405 176.182 176.600 -0.021 0.000 0.957 30 E CA 0.056 56.396 56.400 -0.099 0.000 0.950 30 E CB 0.611 30.229 29.700 -0.137 0.000 0.957 30 E HN 0.520 nan 8.360 nan 0.000 0.497 31 N N 0.771 119.474 118.700 0.004 0.000 2.292 31 N HA 0.411 5.150 4.740 -0.001 0.000 0.303 31 N C -0.853 174.702 175.510 0.075 0.000 1.140 31 N CA -0.376 52.704 53.050 0.050 0.000 0.788 31 N CB 2.364 40.873 38.487 0.036 0.000 1.361 31 N HN -0.086 nan 8.380 nan 0.000 0.489 32 L N 0.958 122.253 121.223 0.121 0.000 2.313 32 L HA 0.556 4.895 4.340 -0.001 0.000 0.268 32 L C -2.078 174.907 176.870 0.192 0.000 1.010 32 L CA -1.932 53.004 54.840 0.160 0.000 0.814 32 L CB 1.405 43.582 42.059 0.196 0.000 1.304 32 L HN 0.200 nan 8.230 nan 0.000 0.441 33 P HA 0.007 nan 4.420 nan 0.000 0.267 33 P C -0.307 177.087 177.300 0.155 0.000 1.200 33 P CA -0.012 63.207 63.100 0.199 0.000 0.772 33 P CB 0.515 32.361 31.700 0.244 0.000 0.855 34 D N 0.780 121.218 120.400 0.063 0.000 2.203 34 D HA -0.216 4.423 4.640 -0.001 0.000 0.199 34 D C 1.207 177.464 176.300 -0.072 0.000 0.997 34 D CA 1.046 55.051 54.000 0.009 0.000 0.863 34 D CB -0.555 40.238 40.800 -0.013 0.000 0.928 34 D HN 0.412 nan 8.370 nan 0.000 0.458 35 F N -0.424 119.346 119.950 -0.301 0.000 2.346 35 F HA -0.206 4.321 4.527 -0.001 0.000 0.301 35 F C 0.702 176.048 175.800 -0.758 0.000 1.070 35 F CA 1.090 58.745 58.000 -0.576 0.000 1.407 35 F CB -0.067 38.431 39.000 -0.837 0.000 1.072 35 F HN 0.048 nan 8.300 nan 0.000 0.543 36 Y N -1.007 119.133 120.300 -0.267 0.000 2.660 36 Y HA 0.243 4.792 4.550 -0.001 0.000 0.254 36 Y C 1.495 177.264 175.900 -0.217 0.000 1.176 36 Y CA -0.454 57.375 58.100 -0.452 0.000 1.195 36 Y CB -1.252 37.013 38.460 -0.324 0.000 1.190 36 Y HN 0.028 nan 8.280 nan 0.000 0.535 37 N N 0.639 119.309 118.700 -0.050 0.000 2.184 37 N HA -0.219 4.521 4.740 -0.001 0.000 0.190 37 N C 0.875 176.451 175.510 0.110 0.000 1.011 37 N CA 1.445 54.524 53.050 0.048 0.000 0.867 37 N CB 0.050 38.533 38.487 -0.005 0.000 0.993 37 N HN 0.337 nan 8.380 nan 0.000 0.433 38 D N -0.039 120.369 120.400 0.015 0.000 2.117 38 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 38 D C 1.592 178.094 176.300 0.337 0.000 0.987 38 D CA 0.813 54.888 54.000 0.125 0.000 0.829 38 D CB -0.199 40.611 40.800 0.017 0.000 0.961 38 D HN 0.354 nan 8.370 nan 0.000 0.460 39 W N 0.627 121.986 121.300 0.098 0.000 2.353 39 W HA -0.055 4.604 4.660 -0.001 0.000 0.319 39 W C 2.375 178.931 176.519 0.061 0.000 1.207 39 W CA 0.111 57.491 57.345 0.058 0.000 1.291 39 W CB -1.480 28.002 29.460 0.037 0.000 1.159 39 W HN 0.022 nan 8.180 nan 0.000 0.478 40 M N -0.191 119.630 119.600 0.368 0.000 2.082 40 M HA -0.240 4.239 4.480 -0.001 0.000 0.258 40 M C 2.195 178.662 176.300 0.278 0.000 1.069 40 M CA 1.666 57.133 55.300 0.278 0.000 1.102 40 M CB -1.565 31.195 32.600 0.267 0.000 1.336 40 M HN -0.009 nan 8.290 nan 0.000 0.404 41 F N 0.106 120.179 119.950 0.205 0.000 2.120 41 F HA -0.230 4.296 4.527 -0.001 0.000 0.300 41 F C 1.852 177.831 175.800 0.297 0.000 1.095 41 F CA 1.939 60.088 58.000 0.248 0.000 1.249 41 F CB -0.466 38.606 39.000 0.121 0.000 0.995 41 F HN 0.201 nan 8.300 nan 0.000 0.480 42 I N 0.128 120.722 120.570 0.041 0.000 2.163 42 I HA -0.270 3.899 4.170 -0.001 0.000 0.240 42 I C 2.730 178.797 176.117 -0.082 0.000 1.081 42 I CA 1.215 62.470 61.300 -0.075 0.000 1.353 42 I CB -1.023 37.019 38.000 0.070 0.000 1.054 42 I HN 0.239 nan 8.210 nan 0.000 0.407 43 A N 0.462 123.245 122.820 -0.060 0.000 1.902 43 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 43 A C 2.233 179.833 177.584 0.027 0.000 1.181 43 A CA 1.461 53.406 52.037 -0.153 0.000 0.623 43 A CB -0.333 18.396 19.000 -0.451 0.000 0.818 43 A HN 0.197 nan 8.150 nan 0.000 0.443 44 K N -0.697 119.754 120.400 0.085 0.000 2.365 44 K HA -0.069 4.250 4.320 -0.001 0.000 0.199 44 K C 0.391 176.750 176.600 -0.401 0.000 1.045 44 K CA 1.087 57.346 56.287 -0.046 0.000 0.962 44 K CB -0.257 32.174 32.500 -0.115 0.000 0.759 44 K HN 0.755 nan 8.250 nan 0.000 0.469 45 H N -0.923 118.032 119.070 -0.193 0.000 2.581 45 H HA 0.120 4.675 4.556 -0.001 0.000 0.275 45 H C 1.045 176.285 175.328 -0.148 0.000 1.126 45 H CA -0.336 55.577 56.048 -0.224 0.000 1.097 45 H CB 0.431 29.913 29.762 -0.467 0.000 1.626 45 H HN -0.123 nan 8.280 nan 0.000 0.565 46 L N 1.646 122.848 121.223 -0.035 0.000 2.021 46 L HA -0.134 4.205 4.340 -0.001 0.000 0.215 46 L C -0.637 176.238 176.870 0.007 0.000 1.074 46 L CA 1.952 56.786 54.840 -0.010 0.000 0.760 46 L CB -1.060 40.990 42.059 -0.016 0.000 0.889 46 L HN 0.258 nan 8.230 nan 0.000 0.433 47 P HA -0.133 nan 4.420 nan 0.000 0.216 47 P C 1.173 178.495 177.300 0.037 0.000 1.150 47 P CA 1.423 64.533 63.100 0.017 0.000 0.837 47 P CB 0.116 31.822 31.700 0.011 0.000 0.786 48 D N -1.175 119.251 120.400 0.043 0.000 2.091 48 D HA -0.044 4.595 4.640 -0.001 0.000 0.199 48 D C 1.947 178.280 176.300 0.055 0.000 0.980 48 D CA 0.909 54.944 54.000 0.059 0.000 0.831 48 D CB -0.715 40.135 40.800 0.084 0.000 0.987 48 D HN 0.026 nan 8.370 nan 0.000 0.460 49 L N 0.294 121.543 121.223 0.044 0.000 2.083 49 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 49 L C 2.457 179.360 176.870 0.056 0.000 1.083 49 L CA 0.657 55.526 54.840 0.047 0.000 0.752 49 L CB -0.315 41.763 42.059 0.031 0.000 0.899 49 L HN 0.098 nan 8.230 nan 0.000 0.433 50 I N -0.474 120.129 120.570 0.055 0.000 2.193 50 I HA -0.249 3.920 4.170 -0.001 0.000 0.240 50 I C 2.697 178.856 176.117 0.070 0.000 1.084 50 I CA 1.179 62.519 61.300 0.067 0.000 1.365 50 I CB -0.264 37.780 38.000 0.074 0.000 1.064 50 I HN 0.289 nan 8.210 nan 0.000 0.410 51 E N 0.901 121.143 120.200 0.070 0.000 2.085 51 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 51 E C 2.139 178.780 176.600 0.069 0.000 0.994 51 E CA 1.858 58.304 56.400 0.076 0.000 0.801 51 E CB 0.048 29.791 29.700 0.072 0.000 0.743 51 E HN 0.493 nan 8.360 nan 0.000 0.453 52 S N -1.220 114.516 115.700 0.062 0.000 2.561 52 S HA 0.105 4.574 4.470 -0.001 0.000 0.225 52 S C 1.479 176.111 174.600 0.053 0.000 0.977 52 S CA 0.731 58.965 58.200 0.056 0.000 0.926 52 S CB 0.338 63.572 63.200 0.056 0.000 0.769 52 S HN 0.454 nan 8.310 nan 0.000 0.533 53 G N 1.851 110.683 108.800 0.055 0.000 2.148 53 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.254 53 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.254 53 G C 0.510 175.437 174.900 0.045 0.000 0.981 53 G CA 0.428 45.556 45.100 0.047 0.000 0.670 53 G HN 0.764 nan 8.290 nan 0.000 0.528 54 Q N -0.739 119.095 119.800 0.056 0.000 2.282 54 Q HA 0.501 4.840 4.340 -0.001 0.000 0.206 54 Q C 2.195 178.242 176.000 0.079 0.000 0.878 54 Q CA 0.329 56.171 55.803 0.065 0.000 0.944 54 Q CB 0.209 28.991 28.738 0.072 0.000 1.100 54 Q HN 0.553 nan 8.270 nan 0.000 0.509 55 L N 1.594 122.861 121.223 0.073 0.000 1.970 55 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 55 L C 2.328 179.277 176.870 0.131 0.000 1.071 55 L CA 1.938 56.833 54.840 0.092 0.000 0.751 55 L CB -0.215 41.892 42.059 0.080 0.000 0.889 55 L HN 0.057 nan 8.230 nan 0.000 0.432 56 R N -0.500 120.054 120.500 0.091 0.000 2.083 56 R HA -0.202 4.138 4.340 -0.001 0.000 0.237 56 R C 2.328 178.753 176.300 0.209 0.000 1.137 56 R CA 1.626 57.814 56.100 0.146 0.000 0.951 56 R CB -0.697 29.535 30.300 -0.114 0.000 0.851 56 R HN 0.583 nan 8.270 nan 0.000 0.434 57 E N 1.173 121.443 120.200 0.116 0.000 2.118 57 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 57 E C 1.933 178.598 176.600 0.108 0.000 0.992 57 E CA 1.209 57.669 56.400 0.100 0.000 0.804 57 E CB 0.046 29.788 29.700 0.069 0.000 0.741 57 E HN 0.261 nan 8.360 nan 0.000 0.458 58 R N 0.173 120.746 120.500 0.121 0.000 2.066 58 R HA -0.075 4.264 4.340 -0.001 0.000 0.232 58 R C 2.583 178.954 176.300 0.119 0.000 1.131 58 R CA 1.231 57.406 56.100 0.125 0.000 0.955 58 R CB -0.410 29.983 30.300 0.154 0.000 0.851 58 R HN 0.130 nan 8.270 nan 0.000 0.432 59 V N 1.594 121.587 119.914 0.132 0.000 2.332 59 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 59 V C 1.848 177.949 176.094 0.012 0.000 1.055 59 V CA 1.900 64.233 62.300 0.054 0.000 1.038 59 V CB -0.435 31.397 31.823 0.015 0.000 0.651 59 V HN 0.401 nan 8.190 nan 0.000 0.450 60 E N -0.491 119.749 120.200 0.066 0.000 2.338 60 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 60 E C 1.945 178.570 176.600 0.041 0.000 1.007 60 E CA 0.704 57.131 56.400 0.045 0.000 0.849 60 E CB -0.062 29.695 29.700 0.096 0.000 0.774 60 E HN 0.395 nan 8.360 nan 0.000 0.506 61 K N 0.190 120.622 120.400 0.053 0.000 2.393 61 K HA 0.150 4.470 4.320 -0.001 0.000 0.193 61 K C 0.234 176.859 176.600 0.042 0.000 1.026 61 K CA -0.061 56.252 56.287 0.043 0.000 1.064 61 K CB 0.274 32.800 32.500 0.044 0.000 0.833 61 K HN 0.002 nan 8.250 nan 0.000 0.521 62 L N 1.678 122.936 121.223 0.058 0.000 2.483 62 L HA -0.019 4.320 4.340 -0.001 0.000 0.276 62 L C 0.313 177.220 176.870 0.063 0.000 1.213 62 L CA 0.235 55.123 54.840 0.080 0.000 0.843 62 L CB 0.343 42.481 42.059 0.132 0.000 1.107 62 L HN 0.269 nan 8.230 nan 0.000 0.487 63 N N 2.801 121.531 118.700 0.050 0.000 2.487 63 N HA 0.232 4.971 4.740 -0.001 0.000 0.292 63 N C -0.397 175.162 175.510 0.081 0.000 1.108 63 N CA -0.573 52.496 53.050 0.032 0.000 0.956 63 N CB 1.705 40.176 38.487 -0.025 0.000 1.176 63 N HN 0.533 nan 8.380 nan 0.000 0.484 64 M N 3.198 122.854 119.600 0.093 0.000 2.364 64 M HA 0.063 4.542 4.480 -0.001 0.000 0.342 64 M C -1.228 175.168 176.300 0.160 0.000 1.601 64 M CA -0.107 55.285 55.300 0.153 0.000 1.156 64 M CB 0.028 32.705 32.600 0.128 0.000 1.912 64 M HN 0.268 nan 8.290 nan 0.000 0.460 65 L N 4.198 125.561 121.223 0.233 0.000 2.325 65 L HA 0.404 4.744 4.340 -0.001 0.000 0.279 65 L C 0.259 177.363 176.870 0.389 0.000 1.054 65 L CA 0.303 55.251 54.840 0.180 0.000 0.804 65 L CB 1.749 43.691 42.059 -0.195 0.000 1.200 65 L HN 0.656 nan 8.230 nan 0.000 0.436 66 S N 2.271 118.248 115.700 0.462 0.000 2.584 66 S HA 0.324 4.794 4.470 -0.001 0.000 0.273 66 S C 1.219 176.080 174.600 0.435 0.000 1.311 66 S CA -0.566 57.838 58.200 0.341 0.000 1.034 66 S CB 0.335 63.633 63.200 0.164 0.000 0.939 66 S HN 0.533 nan 8.310 nan 0.000 0.513 67 I N 0.695 121.442 120.570 0.294 0.000 3.793 67 I HA 0.233 4.403 4.170 -0.001 0.000 0.315 67 I C 0.419 176.601 176.117 0.108 0.000 1.275 67 I CA 0.173 61.641 61.300 0.281 0.000 1.214 67 I CB -0.131 37.992 38.000 0.205 0.000 1.018 67 I HN 0.389 nan 8.210 nan 0.000 0.439 68 D N 1.418 121.761 120.400 -0.095 0.000 2.350 68 D HA -0.131 4.508 4.640 -0.001 0.000 0.216 68 D C 1.405 177.488 176.300 -0.363 0.000 0.968 68 D CA 1.054 54.894 54.000 -0.267 0.000 0.894 68 D CB -0.256 40.310 40.800 -0.391 0.000 0.909 68 D HN 0.603 nan 8.370 nan 0.000 0.520 69 H N -0.296 118.799 119.070 0.041 0.000 2.526 69 H HA 0.211 4.766 4.556 -0.002 0.000 0.274 69 H C 0.439 175.876 175.328 0.182 0.000 0.999 69 H CA 0.023 56.079 56.048 0.014 0.000 1.157 69 H CB 0.476 30.087 29.762 -0.252 0.000 1.407 69 H HN 0.084 nan 8.280 nan 0.000 0.568 70 L N 2.301 123.650 121.223 0.209 0.000 2.360 70 L HA 0.120 4.459 4.340 -0.001 0.000 0.265 70 L C 1.554 178.467 176.870 0.072 0.000 1.066 70 L CA -0.360 54.556 54.840 0.127 0.000 0.929 70 L CB 1.039 43.126 42.059 0.048 0.000 1.306 70 L HN 0.120 nan 8.230 nan 0.000 0.434 71 T N -2.572 112.024 114.554 0.071 0.000 2.732 71 T HA -0.063 4.286 4.350 -0.001 0.000 0.261 71 T C 0.663 175.393 174.700 0.051 0.000 1.040 71 T CA 0.505 62.634 62.100 0.048 0.000 1.145 71 T CB -0.102 68.792 68.868 0.043 0.000 0.866 71 T HN 0.563 nan 8.240 nan 0.000 0.427 72 D N 0.109 120.543 120.400 0.056 0.000 2.432 72 D HA 0.132 4.771 4.640 -0.001 0.000 0.258 72 D C 0.943 177.304 176.300 0.101 0.000 1.146 72 D CA -0.616 53.428 54.000 0.073 0.000 1.015 72 D CB 0.900 41.736 40.800 0.060 0.000 1.107 72 D HN 0.133 nan 8.370 nan 0.000 0.529 73 H N 0.264 119.349 119.070 0.025 0.000 2.293 73 H HA -0.087 4.468 4.556 -0.002 0.000 0.300 73 H C 1.725 177.069 175.328 0.028 0.000 1.082 73 H CA 2.113 58.182 56.048 0.035 0.000 1.308 73 H CB 0.176 29.973 29.762 0.059 0.000 1.375 73 H HN 0.344 nan 8.280 nan 0.000 0.495 74 K N -0.246 120.140 120.400 -0.024 0.000 2.074 74 K HA -0.156 4.163 4.320 -0.001 0.000 0.209 74 K C 2.405 178.953 176.600 -0.088 0.000 1.048 74 K CA 1.703 57.935 56.287 -0.092 0.000 0.926 74 K CB -0.204 32.278 32.500 -0.030 0.000 0.713 74 K HN 0.464 nan 8.250 nan 0.000 0.444 75 S N 0.693 116.371 115.700 -0.036 0.000 2.453 75 S HA -0.142 4.328 4.470 -0.001 0.000 0.231 75 S C 1.887 176.462 174.600 -0.040 0.000 1.005 75 S CA 0.801 58.990 58.200 -0.018 0.000 0.949 75 S CB -0.055 63.160 63.200 0.023 0.000 0.774 75 S HN 0.297 nan 8.310 nan 0.000 0.510 76 Q N 0.294 120.057 119.800 -0.061 0.000 2.137 76 Q HA 0.144 4.483 4.340 -0.001 0.000 0.198 76 Q C 2.449 178.386 176.000 -0.104 0.000 0.960 76 Q CA 0.656 56.422 55.803 -0.062 0.000 0.847 76 Q CB -0.037 28.682 28.738 -0.032 0.000 0.915 76 Q HN 0.367 nan 8.270 nan 0.000 0.448 77 R N 0.722 121.108 120.500 -0.190 0.000 2.073 77 R HA -0.078 4.261 4.340 -0.001 0.000 0.234 77 R C 2.237 178.481 176.300 -0.094 0.000 1.134 77 R CA 0.875 56.868 56.100 -0.178 0.000 0.952 77 R CB -0.969 29.177 30.300 -0.256 0.000 0.850 77 R HN 0.321 nan 8.270 nan 0.000 0.433 78 L N 0.594 121.774 121.223 -0.071 0.000 2.042 78 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 78 L C 2.240 179.089 176.870 -0.035 0.000 1.076 78 L CA 1.771 56.602 54.840 -0.015 0.000 0.749 78 L CB -0.474 41.592 42.059 0.011 0.000 0.893 78 L HN 0.170 nan 8.230 nan 0.000 0.432 79 A N -0.455 122.334 122.820 -0.051 0.000 1.902 79 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 79 A C 2.262 179.754 177.584 -0.154 0.000 1.181 79 A CA 1.142 53.137 52.037 -0.069 0.000 0.623 79 A CB -0.478 18.506 19.000 -0.027 0.000 0.818 79 A HN 0.357 nan 8.150 nan 0.000 0.443 80 R N -1.051 119.394 120.500 -0.092 0.000 2.091 80 R HA -0.139 4.200 4.340 -0.001 0.000 0.238 80 R C 2.085 178.312 176.300 -0.121 0.000 1.136 80 R CA 1.521 57.595 56.100 -0.043 0.000 0.959 80 R CB -0.935 29.367 30.300 0.004 0.000 0.856 80 R HN 0.524 nan 8.270 nan 0.000 0.437 81 L N 0.804 121.950 121.223 -0.129 0.000 2.017 81 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 81 L C 2.243 178.885 176.870 -0.380 0.000 1.073 81 L CA 1.523 56.263 54.840 -0.167 0.000 0.745 81 L CB -0.655 41.370 42.059 -0.057 0.000 0.894 81 L HN -0.136 nan 8.230 nan 0.000 0.432 82 V N -0.222 119.418 119.914 -0.456 0.000 2.261 82 V HA -0.316 3.803 4.120 -0.001 0.000 0.246 82 V C 2.605 178.354 176.094 -0.574 0.000 1.047 82 V CA 2.145 64.072 62.300 -0.622 0.000 1.015 82 V CB -0.579 31.016 31.823 -0.380 0.000 0.642 82 V HN 0.440 nan 8.190 nan 0.000 0.446 83 L N 0.233 121.066 121.223 -0.651 0.000 2.131 83 L HA -0.072 4.267 4.340 -0.001 0.000 0.210 83 L C 2.585 178.919 176.870 -0.893 0.000 1.092 83 L CA 1.554 55.850 54.840 -0.907 0.000 0.759 83 L CB -1.096 40.261 42.059 -1.171 0.000 0.903 83 L HN 0.491 nan 8.230 nan 0.000 0.435 84 G N -0.884 107.534 108.800 -0.636 0.000 2.402 84 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 84 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 84 G C 1.611 176.482 174.900 -0.049 0.000 1.162 84 G CA 0.809 45.755 45.100 -0.257 0.000 0.777 84 G HN 0.374 nan 8.290 nan 0.000 0.539 85 C N 0.341 119.574 119.300 -0.112 0.000 2.446 85 C HA 0.093 4.552 4.460 -0.001 0.000 0.277 85 C C 2.832 177.878 174.990 0.094 0.000 1.275 85 C CA 0.307 59.361 59.018 0.059 0.000 1.727 85 C CB -0.912 26.669 27.740 -0.265 0.000 2.010 85 C HN 0.460 nan 8.230 nan 0.000 0.486 86 I N 0.608 121.102 120.570 -0.127 0.000 2.226 86 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 86 I C 2.522 178.638 176.117 -0.002 0.000 1.100 86 I CA 1.620 62.866 61.300 -0.090 0.000 1.374 86 I CB -0.712 37.149 38.000 -0.232 0.000 1.057 86 I HN 0.333 nan 8.210 nan 0.000 0.413 87 T N 0.709 115.225 114.554 -0.064 0.000 2.746 87 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 87 T C 1.944 176.745 174.700 0.167 0.000 1.039 87 T CA 1.176 63.294 62.100 0.031 0.000 1.142 87 T CB -0.069 68.843 68.868 0.074 0.000 0.866 87 T HN 0.136 nan 8.240 nan 0.000 0.444 88 M N 1.232 120.995 119.600 0.272 0.000 2.086 88 M HA 0.071 4.551 4.480 -0.001 0.000 0.261 88 M C 2.828 179.320 176.300 0.319 0.000 1.067 88 M CA 1.349 56.861 55.300 0.354 0.000 1.116 88 M CB -1.584 31.264 32.600 0.413 0.000 1.348 88 M HN 0.306 nan 8.290 nan 0.000 0.407 89 A N -1.101 121.906 122.820 0.312 0.000 1.933 89 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 89 A C 2.183 179.885 177.584 0.197 0.000 1.175 89 A CA 1.442 53.653 52.037 0.290 0.000 0.628 89 A CB -1.110 18.017 19.000 0.212 0.000 0.814 89 A HN 0.502 nan 8.150 nan 0.000 0.444 90 Y N 0.387 120.698 120.300 0.018 0.000 2.133 90 Y HA -0.168 4.381 4.550 -0.001 0.000 0.287 90 Y C 2.442 178.255 175.900 -0.145 0.000 1.134 90 Y CA 2.035 60.100 58.100 -0.059 0.000 1.133 90 Y CB -0.276 38.122 38.460 -0.103 0.000 0.987 90 Y HN 0.070 nan 8.280 nan 0.000 0.502 91 V N -1.052 118.768 119.914 -0.156 0.000 2.295 91 V HA -0.330 3.789 4.120 -0.001 0.000 0.246 91 V C 1.741 177.530 176.094 -0.508 0.000 1.049 91 V CA 2.226 64.213 62.300 -0.521 0.000 1.024 91 V CB -0.848 30.398 31.823 -0.961 0.000 0.648 91 V HN 0.593 nan 8.190 nan 0.000 0.447 92 W N -0.647 120.626 121.300 -0.045 0.000 2.863 92 W HA 0.456 5.115 4.660 -0.001 0.000 0.258 92 W C 1.726 178.153 176.519 -0.153 0.000 1.298 92 W CA 0.452 57.713 57.345 -0.139 0.000 1.451 92 W CB -0.303 28.988 29.460 -0.282 0.000 1.107 92 W HN 0.433 nan 8.180 nan 0.000 0.641 93 G N 1.716 110.577 108.800 0.102 0.000 2.574 93 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.286 93 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.286 93 G C 0.767 175.742 174.900 0.125 0.000 1.212 93 G CA 0.833 45.963 45.100 0.049 0.000 0.979 93 G HN 0.265 nan 8.290 nan 0.000 0.557 94 K N 1.874 122.275 120.400 0.001 0.000 2.555 94 K HA 0.330 4.649 4.320 -0.001 0.000 0.193 94 K C 1.599 177.933 176.600 -0.444 0.000 1.032 94 K CA 0.879 57.105 56.287 -0.102 0.000 1.004 94 K CB -0.293 32.160 32.500 -0.077 0.000 0.804 94 K HN 1.955 nan 8.250 nan 0.000 0.496 95 G N 2.169 110.757 108.800 -0.354 0.000 2.314 95 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.292 95 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.292 95 G C -0.034 174.570 174.900 -0.494 0.000 1.059 95 G CA 0.068 44.846 45.100 -0.537 0.000 0.982 95 G HN 0.475 nan 8.290 nan 0.000 0.505 96 H N -1.133 117.881 119.070 -0.093 0.000 2.784 96 H HA 0.379 4.934 4.556 -0.001 0.000 0.273 96 H C 1.896 177.186 175.328 -0.063 0.000 1.112 96 H CA 0.632 56.633 56.048 -0.079 0.000 1.162 96 H CB 0.931 30.669 29.762 -0.040 0.000 1.586 96 H HN 1.284 nan 8.280 nan 0.000 0.548 97 G N 0.420 109.240 108.800 0.032 0.000 2.545 97 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.195 97 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.195 97 G C 0.017 174.948 174.900 0.052 0.000 1.009 97 G CA -0.063 45.058 45.100 0.035 0.000 0.703 97 G HN 0.339 nan 8.290 nan 0.000 0.479 98 D N 1.487 121.914 120.400 0.045 0.000 2.338 98 D HA 0.420 5.059 4.640 -0.001 0.000 0.255 98 D C -0.076 176.229 176.300 0.008 0.000 1.237 98 D CA 0.385 54.396 54.000 0.018 0.000 0.883 98 D CB 1.337 42.139 40.800 0.003 0.000 1.087 98 D HN 0.523 nan 8.370 nan 0.000 0.485 99 V N 5.003 124.914 119.914 -0.005 0.000 2.680 99 V HA 0.515 4.634 4.120 -0.001 0.000 0.309 99 V C -0.739 175.263 176.094 -0.153 0.000 1.052 99 V CA -0.897 61.366 62.300 -0.063 0.000 0.908 99 V CB 1.936 33.773 31.823 0.024 0.000 1.001 99 V HN 0.417 nan 8.190 nan 0.000 0.431 100 R N 4.403 124.748 120.500 -0.258 0.000 2.308 100 R HA 0.417 4.757 4.340 -0.001 0.000 0.305 100 R C 0.445 176.598 176.300 -0.246 0.000 1.053 100 R CA -0.146 55.814 56.100 -0.233 0.000 0.957 100 R CB 1.161 31.277 30.300 -0.307 0.000 1.022 100 R HN 0.755 nan 8.270 nan 0.000 0.461 101 K N 0.580 120.875 120.400 -0.174 0.000 2.367 101 K HA 0.173 4.493 4.320 -0.001 0.000 0.194 101 K C 0.032 176.515 176.600 -0.195 0.000 1.027 101 K CA 0.303 56.471 56.287 -0.199 0.000 1.075 101 K CB 0.807 33.234 32.500 -0.121 0.000 0.845 101 K HN 0.150 nan 8.250 nan 0.000 0.529 102 V N 2.013 121.849 119.914 -0.130 0.000 2.531 102 V HA 0.241 4.360 4.120 -0.001 0.000 0.301 102 V C -1.052 174.987 176.094 -0.091 0.000 1.034 102 V CA -1.073 61.162 62.300 -0.108 0.000 0.865 102 V CB 1.869 33.668 31.823 -0.039 0.000 0.995 102 V HN 0.013 nan 8.190 nan 0.000 0.424 103 L N 8.189 129.288 121.223 -0.208 0.000 2.276 103 L HA 0.614 4.953 4.340 -0.001 0.000 0.286 103 L C -2.429 174.309 176.870 -0.220 0.000 1.061 103 L CA -1.698 52.971 54.840 -0.286 0.000 0.807 103 L CB 1.349 43.189 42.059 -0.365 0.000 1.177 103 L HN 0.395 nan 8.230 nan 0.000 0.429 104 P HA 0.032 nan 4.420 nan 0.000 0.262 104 P C 0.098 177.339 177.300 -0.098 0.000 1.182 104 P CA 0.041 63.032 63.100 -0.183 0.000 0.761 104 P CB 0.369 31.917 31.700 -0.254 0.000 0.795 105 R N 4.671 125.157 120.500 -0.023 0.000 2.139 105 R HA -0.246 4.093 4.340 -0.001 0.000 0.243 105 R C 0.934 177.259 176.300 0.042 0.000 1.145 105 R CA 1.764 57.881 56.100 0.029 0.000 0.976 105 R CB -0.754 29.572 30.300 0.043 0.000 0.866 105 R HN 0.377 nan 8.270 nan 0.000 0.449 106 N N 0.389 119.105 118.700 0.026 0.000 2.453 106 N HA -0.098 4.641 4.740 -0.001 0.000 0.183 106 N C 1.416 176.977 175.510 0.085 0.000 1.041 106 N CA 0.984 54.074 53.050 0.067 0.000 0.900 106 N CB 0.105 38.627 38.487 0.058 0.000 0.961 106 N HN 0.355 nan 8.380 nan 0.000 0.443 107 I N 0.060 120.626 120.570 -0.006 0.000 3.565 107 I HA 0.122 4.291 4.170 -0.001 0.000 0.287 107 I C 1.855 177.953 176.117 -0.031 0.000 1.193 107 I CA 0.325 61.576 61.300 -0.082 0.000 1.402 107 I CB -0.535 37.330 38.000 -0.224 0.000 1.284 107 I HN -0.151 nan 8.210 nan 0.000 0.454 108 A N 0.655 123.480 122.820 0.009 0.000 1.933 108 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 108 A C 2.309 179.940 177.584 0.078 0.000 1.175 108 A CA 1.907 54.013 52.037 0.116 0.000 0.628 108 A CB -0.806 18.271 19.000 0.128 0.000 0.814 108 A HN 0.265 nan 8.150 nan 0.000 0.444 109 V N 0.337 120.306 119.914 0.091 0.000 2.244 109 V HA -0.132 3.987 4.120 -0.001 0.000 0.244 109 V C -0.136 175.995 176.094 0.063 0.000 1.042 109 V CA 2.407 64.779 62.300 0.119 0.000 1.006 109 V CB -1.391 30.534 31.823 0.170 0.000 0.641 109 V HN 0.361 nan 8.190 nan 0.000 0.446 110 P HA -0.188 nan 4.420 nan 0.000 0.215 110 P C 1.588 178.936 177.300 0.080 0.000 1.153 110 P CA 1.405 64.617 63.100 0.187 0.000 0.853 110 P CB -0.146 31.792 31.700 0.397 0.000 0.788 111 Y N -0.077 120.118 120.300 -0.174 0.000 2.181 111 Y HA -0.214 4.335 4.550 -0.002 0.000 0.288 111 Y C 2.230 177.941 175.900 -0.315 0.000 1.146 111 Y CA 0.538 58.497 58.100 -0.236 0.000 1.164 111 Y CB -1.162 37.179 38.460 -0.199 0.000 0.982 111 Y HN -0.034 nan 8.280 nan 0.000 0.515 112 C N 0.144 119.146 119.300 -0.497 0.000 2.457 112 C HA -0.160 4.300 4.460 -0.001 0.000 0.278 112 C C 2.630 177.102 174.990 -0.864 0.000 1.309 112 C CA 1.155 59.513 59.018 -1.099 0.000 1.735 112 C CB -1.013 25.384 27.740 -2.237 0.000 1.992 112 C HN 0.598 nan 8.230 nan 0.000 0.493 113 Q N 0.051 119.576 119.800 -0.458 0.000 2.083 113 Q HA -0.147 4.192 4.340 -0.001 0.000 0.198 113 Q C 2.174 178.114 176.000 -0.100 0.000 0.969 113 Q CA 1.055 56.778 55.803 -0.134 0.000 0.838 113 Q CB -0.343 28.423 28.738 0.046 0.000 0.900 113 Q HN 0.535 nan 8.270 nan 0.000 0.436 114 L N 0.507 121.683 121.223 -0.078 0.000 2.083 114 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 114 L C 2.050 178.865 176.870 -0.092 0.000 1.083 114 L CA 1.711 56.532 54.840 -0.033 0.000 0.752 114 L CB -0.477 41.600 42.059 0.030 0.000 0.899 114 L HN -0.002 nan 8.230 nan 0.000 0.433 115 S N -0.457 115.118 115.700 -0.210 0.000 2.355 115 S HA -0.207 4.262 4.470 -0.001 0.000 0.222 115 S C 1.958 176.446 174.600 -0.186 0.000 1.031 115 S CA 1.474 59.518 58.200 -0.260 0.000 0.993 115 S CB -0.313 62.596 63.200 -0.485 0.000 0.859 115 S HN 0.463 nan 8.310 nan 0.000 0.453 116 K N 1.416 121.710 120.400 -0.176 0.000 2.147 116 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 116 K C 2.162 178.739 176.600 -0.038 0.000 1.049 116 K CA 1.266 57.510 56.287 -0.073 0.000 0.936 116 K CB -0.096 32.399 32.500 -0.008 0.000 0.722 116 K HN 0.178 nan 8.250 nan 0.000 0.446 117 K N 0.492 120.870 120.400 -0.037 0.000 2.097 117 K HA -0.062 4.257 4.320 -0.001 0.000 0.205 117 K C 1.739 178.337 176.600 -0.003 0.000 1.050 117 K CA 1.011 57.293 56.287 -0.008 0.000 0.938 117 K CB 0.084 32.587 32.500 0.004 0.000 0.718 117 K HN 0.173 nan 8.250 nan 0.000 0.442 118 L N 0.824 122.037 121.223 -0.017 0.000 2.592 118 L HA 0.084 4.423 4.340 -0.001 0.000 0.227 118 L C -0.296 176.556 176.870 -0.030 0.000 1.127 118 L CA 0.237 55.078 54.840 0.002 0.000 0.884 118 L CB -0.063 41.999 42.059 0.005 0.000 1.065 118 L HN 0.256 nan 8.230 nan 0.000 0.457 119 E N 0.737 120.906 120.200 -0.052 0.000 2.320 119 E HA -0.201 4.148 4.350 -0.001 0.000 0.234 119 E C -0.606 175.933 176.600 -0.101 0.000 1.183 119 E CA 0.228 56.589 56.400 -0.065 0.000 0.713 119 E CB -1.450 28.223 29.700 -0.046 0.000 1.226 119 E HN 0.401 nan 8.360 nan 0.000 0.382 120 L N -0.008 121.128 121.223 -0.145 0.000 2.388 120 L HA 0.549 4.889 4.340 -0.001 0.000 0.264 120 L C -2.078 174.593 176.870 -0.331 0.000 0.998 120 L CA -2.310 52.407 54.840 -0.206 0.000 0.817 120 L CB 1.855 43.828 42.059 -0.143 0.000 1.338 120 L HN -0.144 nan 8.230 nan 0.000 0.414 121 P HA 0.115 nan 4.420 nan 0.000 0.270 121 P C -2.607 174.238 177.300 -0.757 0.000 1.223 121 P CA -1.349 61.294 63.100 -0.762 0.000 0.785 121 P CB 0.011 31.082 31.700 -1.049 0.000 0.923 122 P HA 0.339 nan 4.420 nan 0.000 0.225 122 P C -0.274 176.781 177.300 -0.409 0.000 1.813 122 P CA 0.296 62.803 63.100 -0.989 0.000 1.013 122 P CB -0.243 30.855 31.700 -1.003 0.000 1.961 123 I N 1.000 121.471 120.570 -0.165 0.000 2.908 123 I HA 0.258 4.427 4.170 -0.001 0.000 0.300 123 I C -1.214 175.028 176.117 0.208 0.000 1.385 123 I CA -1.637 59.773 61.300 0.183 0.000 1.004 123 I CB 2.429 40.410 38.000 -0.033 0.000 1.309 123 I HN -0.191 nan 8.210 nan 0.000 0.449 124 L N 6.270 127.647 121.223 0.257 0.000 2.559 124 L HA 0.285 4.624 4.340 -0.001 0.000 0.274 124 L C -0.750 176.232 176.870 0.185 0.000 1.205 124 L CA 0.933 55.906 54.840 0.221 0.000 0.907 124 L CB 0.660 42.881 42.059 0.270 0.000 1.153 124 L HN 0.406 nan 8.230 nan 0.000 0.490 125 V N 5.873 125.885 119.914 0.163 0.000 3.019 125 V HA 0.156 4.275 4.120 -0.001 0.000 0.317 125 V C 0.441 176.646 176.094 0.186 0.000 1.094 125 V CA -0.488 61.929 62.300 0.195 0.000 1.000 125 V CB 1.821 33.755 31.823 0.186 0.000 1.060 125 V HN 0.806 nan 8.190 nan 0.000 0.443 126 Y N 2.954 123.313 120.300 0.098 0.000 2.151 126 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 126 Y C 2.100 178.035 175.900 0.058 0.000 1.166 126 Y CA 2.610 60.754 58.100 0.074 0.000 1.163 126 Y CB -0.173 38.330 38.460 0.071 0.000 0.974 126 Y HN 0.671 nan 8.280 nan 0.000 0.511 127 A N -0.330 122.605 122.820 0.191 0.000 2.070 127 A HA -0.148 4.171 4.320 -0.001 0.000 0.220 127 A C 1.771 179.367 177.584 0.020 0.000 1.159 127 A CA 1.838 53.947 52.037 0.119 0.000 0.656 127 A CB -0.530 18.570 19.000 0.165 0.000 0.800 127 A HN 0.589 nan 8.150 nan 0.000 0.453 128 D N -0.267 120.130 120.400 -0.005 0.000 2.255 128 D HA -0.079 4.560 4.640 -0.001 0.000 0.224 128 D C 2.129 178.348 176.300 -0.135 0.000 0.997 128 D CA 1.658 55.634 54.000 -0.039 0.000 0.906 128 D CB -0.979 39.817 40.800 -0.005 0.000 1.047 128 D HN 0.612 nan 8.370 nan 0.000 0.458 129 C N 0.336 119.498 119.300 -0.229 0.000 2.466 129 C HA 0.192 4.651 4.460 -0.001 0.000 0.283 129 C C 2.228 176.759 174.990 -0.764 0.000 1.472 129 C CA -0.321 58.358 59.018 -0.565 0.000 1.765 129 C CB -1.042 26.283 27.740 -0.692 0.000 1.724 129 C HN 0.046 nan 8.230 nan 0.000 0.560 130 V N -0.029 119.587 119.914 -0.497 0.000 3.134 130 V HA 0.123 4.242 4.120 -0.001 0.000 0.222 130 V C 2.344 178.328 176.094 -0.184 0.000 1.247 130 V CA 0.447 62.483 62.300 -0.440 0.000 1.281 130 V CB -0.510 30.820 31.823 -0.823 0.000 1.169 130 V HN 0.355 nan 8.190 nan 0.000 0.512 131 L N 0.731 121.849 121.223 -0.176 0.000 2.191 131 L HA -0.032 4.307 4.340 -0.001 0.000 0.212 131 L C 2.124 179.159 176.870 0.275 0.000 1.103 131 L CA 1.754 56.643 54.840 0.081 0.000 0.769 131 L CB -0.475 41.666 42.059 0.137 0.000 0.908 131 L HN 0.448 nan 8.230 nan 0.000 0.438 132 A N -1.388 121.518 122.820 0.143 0.000 2.469 132 A HA 0.076 4.395 4.320 -0.001 0.000 0.245 132 A C 1.048 178.637 177.584 0.009 0.000 1.221 132 A CA -0.139 51.946 52.037 0.080 0.000 0.946 132 A CB -0.086 18.917 19.000 0.006 0.000 1.049 132 A HN 0.266 nan 8.150 nan 0.000 0.529 133 N N 1.788 120.531 118.700 0.072 0.000 2.994 133 N HA 0.179 4.918 4.740 -0.001 0.000 0.306 133 N C -0.623 174.949 175.510 0.104 0.000 1.348 133 N CA -0.360 52.696 53.050 0.011 0.000 1.109 133 N CB -0.166 38.251 38.487 -0.117 0.000 1.415 133 N HN 0.607 nan 8.380 nan 0.000 0.529 134 W N 0.089 121.325 121.300 -0.106 0.000 3.042 134 W HA 0.551 5.210 4.660 -0.001 0.000 0.342 134 W C -1.374 175.086 176.519 -0.098 0.000 1.240 134 W CA -0.950 56.335 57.345 -0.100 0.000 1.166 134 W CB 0.148 29.563 29.460 -0.075 0.000 1.469 134 W HN 0.034 nan 8.180 nan 0.000 0.579 135 K N 0.919 121.318 120.400 -0.003 0.000 2.579 135 K HA 0.611 4.930 4.320 -0.001 0.000 0.284 135 K C -1.844 174.810 176.600 0.091 0.000 0.990 135 K CA -1.038 55.152 56.287 -0.161 0.000 0.880 135 K CB 2.698 35.077 32.500 -0.202 0.000 1.488 135 K HN 0.403 nan 8.250 nan 0.000 0.425 136 K N 1.210 121.636 120.400 0.042 0.000 2.185 136 K HA 0.254 4.574 4.320 -0.001 0.000 0.269 136 K C 0.141 176.743 176.600 0.004 0.000 0.987 136 K CA -0.519 55.817 56.287 0.080 0.000 0.865 136 K CB 1.339 33.903 32.500 0.106 0.000 1.090 136 K HN 0.594 nan 8.250 nan 0.000 0.450 137 K N 0.704 121.100 120.400 -0.006 0.000 2.001 137 K HA -0.096 4.223 4.320 -0.001 0.000 0.208 137 K C 0.250 176.841 176.600 -0.015 0.000 1.048 137 K CA 1.110 57.382 56.287 -0.025 0.000 0.932 137 K CB 0.148 32.629 32.500 -0.031 0.000 0.715 137 K HN 0.465 nan 8.250 nan 0.000 0.437 138 D N -0.171 120.228 120.400 -0.003 0.000 2.460 138 D HA 0.147 4.786 4.640 -0.001 0.000 0.232 138 D C -2.218 174.088 176.300 0.010 0.000 1.079 138 D CA -2.418 51.583 54.000 0.001 0.000 0.864 138 D CB 1.601 42.403 40.800 0.004 0.000 1.048 138 D HN -0.191 nan 8.370 nan 0.000 0.523 139 P HA -0.097 nan 4.420 nan 0.000 0.219 139 P C 0.595 177.905 177.300 0.017 0.000 1.144 139 P CA 0.886 63.992 63.100 0.010 0.000 0.806 139 P CB 0.331 32.029 31.700 -0.003 0.000 0.771 140 N N -1.355 117.352 118.700 0.013 0.000 2.270 140 N HA 0.061 4.800 4.740 -0.001 0.000 0.198 140 N C 0.445 175.964 175.510 0.016 0.000 1.117 140 N CA 0.433 53.491 53.050 0.013 0.000 0.845 140 N CB 0.443 38.935 38.487 0.009 0.000 0.980 140 N HN 0.310 nan 8.380 nan 0.000 0.486 141 K N 0.916 121.328 120.400 0.020 0.000 2.211 141 K HA 0.461 4.780 4.320 -0.001 0.000 0.237 141 K C -2.391 174.225 176.600 0.027 0.000 1.002 141 K CA -1.772 54.528 56.287 0.021 0.000 0.885 141 K CB 0.964 33.475 32.500 0.018 0.000 1.136 141 K HN -0.191 nan 8.250 nan 0.000 0.448 142 P HA 0.064 nan 4.420 nan 0.000 0.275 142 P C -0.653 176.663 177.300 0.026 0.000 1.270 142 P CA -0.251 62.862 63.100 0.023 0.000 0.791 142 P CB 0.407 32.117 31.700 0.017 0.000 1.089 143 L N 0.368 121.598 121.223 0.012 0.000 2.389 143 L HA 0.282 4.621 4.340 -0.001 0.000 0.265 143 L C 0.647 177.513 176.870 -0.007 0.000 1.167 143 L CA 0.078 54.913 54.840 -0.007 0.000 1.045 143 L CB -0.503 41.520 42.059 -0.061 0.000 1.351 143 L HN 0.339 nan 8.230 nan 0.000 0.419 144 T N -1.171 113.392 114.554 0.016 0.000 2.887 144 T HA 0.191 4.540 4.350 -0.001 0.000 0.288 144 T C 0.816 175.552 174.700 0.061 0.000 1.021 144 T CA -0.387 61.742 62.100 0.048 0.000 1.000 144 T CB 1.200 70.102 68.868 0.057 0.000 1.034 144 T HN 0.362 nan 8.240 nan 0.000 0.467 145 Y N 2.890 123.179 120.300 -0.019 0.000 2.096 145 Y HA -0.229 4.320 4.550 -0.001 0.000 0.278 145 Y C 2.004 177.877 175.900 -0.045 0.000 1.192 145 Y CA 2.642 60.711 58.100 -0.053 0.000 1.143 145 Y CB -0.131 38.281 38.460 -0.081 0.000 0.963 145 Y HN 0.798 nan 8.280 nan 0.000 0.505 146 E N -0.338 119.909 120.200 0.078 0.000 2.267 146 E HA -0.198 4.151 4.350 -0.001 0.000 0.197 146 E C 1.170 177.741 176.600 -0.048 0.000 0.998 146 E CA 1.405 57.818 56.400 0.020 0.000 0.830 146 E CB -0.411 29.341 29.700 0.087 0.000 0.751 146 E HN 0.429 nan 8.360 nan 0.000 0.491 147 N N -0.351 118.323 118.700 -0.044 0.000 2.389 147 N HA 0.188 4.927 4.740 -0.001 0.000 0.260 147 N C -0.861 174.622 175.510 -0.045 0.000 1.191 147 N CA -0.001 53.029 53.050 -0.032 0.000 0.885 147 N CB 0.172 38.661 38.487 0.004 0.000 1.162 147 N HN -0.051 nan 8.380 nan 0.000 0.512 148 M N -1.170 118.355 119.600 -0.126 0.000 2.618 148 M HA 0.405 4.884 4.480 -0.001 0.000 0.281 148 M C -1.573 174.621 176.300 -0.176 0.000 1.267 148 M CA -0.890 54.351 55.300 -0.097 0.000 0.845 148 M CB 2.533 35.095 32.600 -0.064 0.000 1.732 148 M HN -0.147 nan 8.290 nan 0.000 0.461 149 D N 0.549 120.904 120.400 -0.076 0.000 2.609 149 D HA 0.543 5.182 4.640 -0.001 0.000 0.239 149 D C -1.503 174.787 176.300 -0.018 0.000 1.229 149 D CA -0.253 53.691 54.000 -0.093 0.000 0.808 149 D CB 2.863 43.600 40.800 -0.105 0.000 1.448 149 D HN 0.492 nan 8.370 nan 0.000 0.433 150 V N 0.089 119.995 119.914 -0.014 0.000 3.036 150 V HA 0.449 4.568 4.120 -0.001 0.000 0.308 150 V C 1.284 177.292 176.094 -0.143 0.000 1.070 150 V CA -0.372 61.938 62.300 0.016 0.000 1.056 150 V CB 1.160 33.071 31.823 0.146 0.000 1.084 150 V HN 0.587 nan 8.190 nan 0.000 0.471 151 L N 0.349 121.414 121.223 -0.264 0.000 2.307 151 L HA 0.382 4.721 4.340 -0.001 0.000 0.211 151 L C -0.064 176.182 176.870 -1.039 0.000 1.099 151 L CA 0.891 55.322 54.840 -0.682 0.000 0.816 151 L CB -0.097 41.457 42.059 -0.841 0.000 0.952 151 L HN 0.547 nan 8.230 nan 0.000 0.455 152 F N -1.460 118.428 119.950 -0.103 0.000 2.591 152 F HA 0.477 5.003 4.527 -0.002 0.000 0.309 152 F C -0.024 175.676 175.800 -0.167 0.000 1.098 152 F CA -0.652 57.250 58.000 -0.164 0.000 0.937 152 F CB 1.921 40.786 39.000 -0.225 0.000 1.250 152 F HN -0.355 nan 8.300 nan 0.000 0.447 153 S N 1.169 116.845 115.700 -0.040 0.000 2.671 153 S HA 0.600 5.069 4.470 -0.001 0.000 0.299 153 S C -0.090 174.327 174.600 -0.305 0.000 1.116 153 S CA -0.468 57.652 58.200 -0.134 0.000 0.912 153 S CB 1.577 64.763 63.200 -0.023 0.000 1.130 153 S HN 0.458 nan 8.310 nan 0.000 0.501 154 F N 0.933 120.862 119.950 -0.035 0.000 2.343 154 F HA 0.390 4.916 4.527 -0.001 0.000 0.286 154 F C 1.198 176.854 175.800 -0.240 0.000 1.057 154 F CA 0.412 58.260 58.000 -0.253 0.000 1.365 154 F CB 0.300 38.952 39.000 -0.580 0.000 1.114 154 F HN 0.111 nan 8.300 nan 0.000 0.545 155 R N 0.446 120.975 120.500 0.050 0.000 2.740 155 R HA 0.221 4.560 4.340 -0.001 0.000 0.273 155 R C -1.361 174.974 176.300 0.058 0.000 0.998 155 R CA -0.854 55.272 56.100 0.044 0.000 0.900 155 R CB 0.859 31.205 30.300 0.076 0.000 1.223 155 R HN -0.066 nan 8.270 nan 0.000 0.466 156 D N 0.465 120.897 120.400 0.054 0.000 2.455 156 D HA 0.150 4.790 4.640 -0.001 0.000 0.241 156 D C 1.222 177.563 176.300 0.068 0.000 1.138 156 D CA 1.592 55.624 54.000 0.054 0.000 0.877 156 D CB 0.695 41.525 40.800 0.051 0.000 1.187 156 D HN 0.751 nan 8.370 nan 0.000 0.451 157 G N 3.073 111.915 108.800 0.071 0.000 2.162 157 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.260 157 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.260 157 G C 0.727 175.682 174.900 0.092 0.000 0.976 157 G CA 0.693 45.843 45.100 0.083 0.000 0.655 157 G HN 0.636 nan 8.290 nan 0.000 0.533 158 D N -0.683 119.772 120.400 0.091 0.000 2.371 158 D HA 0.101 4.740 4.640 -0.001 0.000 0.221 158 D C 1.476 177.829 176.300 0.088 0.000 0.986 158 D CA 0.551 54.607 54.000 0.093 0.000 0.899 158 D CB -0.767 40.106 40.800 0.122 0.000 0.902 158 D HN 0.999 nan 8.370 nan 0.000 0.530 159 C N 0.313 119.674 119.300 0.101 0.000 4.358 159 C HA -0.194 4.265 4.460 -0.001 0.000 0.287 159 C C 2.278 177.317 174.990 0.081 0.000 1.414 159 C CA 0.706 59.800 59.018 0.126 0.000 1.949 159 C CB -3.197 24.647 27.740 0.173 0.000 1.274 159 C HN 0.619 nan 8.230 nan 0.000 0.793 160 S N 0.303 116.002 115.700 -0.002 0.000 2.399 160 S HA -0.228 4.241 4.470 -0.001 0.000 0.231 160 S C 1.647 176.183 174.600 -0.107 0.000 1.022 160 S CA 1.649 59.705 58.200 -0.241 0.000 0.983 160 S CB -0.198 62.910 63.200 -0.153 0.000 0.803 160 S HN 0.863 nan 8.310 nan 0.000 0.480 161 K N 1.662 122.114 120.400 0.087 0.000 2.002 161 K HA -0.036 4.283 4.320 -0.001 0.000 0.209 161 K C 2.350 179.100 176.600 0.250 0.000 1.048 161 K CA 1.431 57.815 56.287 0.162 0.000 0.930 161 K CB -1.023 31.542 32.500 0.109 0.000 0.714 161 K HN 0.438 nan 8.250 nan 0.000 0.438 162 G N 0.530 109.500 108.800 0.283 0.000 2.418 162 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 162 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 162 G C 1.322 176.383 174.900 0.268 0.000 1.158 162 G CA 0.598 45.893 45.100 0.326 0.000 0.771 162 G HN 0.356 nan 8.290 nan 0.000 0.545 163 F N 1.031 120.998 119.950 0.028 0.000 2.060 163 F HA 0.080 4.606 4.527 -0.001 0.000 0.295 163 F C 2.360 178.222 175.800 0.104 0.000 1.120 163 F CA 0.771 58.760 58.000 -0.018 0.000 1.205 163 F CB -0.473 38.476 39.000 -0.084 0.000 0.986 163 F HN 0.104 nan 8.300 nan 0.000 0.470 164 F N 0.440 120.459 119.950 0.115 0.000 2.134 164 F HA -0.178 4.349 4.527 -0.001 0.000 0.299 164 F C 2.408 178.166 175.800 -0.069 0.000 1.097 164 F CA 1.135 59.108 58.000 -0.045 0.000 1.264 164 F CB -1.487 37.547 39.000 0.057 0.000 1.001 164 F HN -0.012 nan 8.300 nan 0.000 0.479 165 L N -1.100 120.261 121.223 0.230 0.000 2.109 165 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 165 L C 2.340 179.266 176.870 0.094 0.000 1.086 165 L CA 0.516 55.442 54.840 0.143 0.000 0.760 165 L CB -0.641 41.533 42.059 0.193 0.000 0.910 165 L HN -0.052 nan 8.230 nan 0.000 0.437 166 V N -0.989 118.978 119.914 0.088 0.000 2.515 166 V HA -0.216 3.903 4.120 -0.001 0.000 0.250 166 V C 2.534 178.553 176.094 -0.125 0.000 1.058 166 V CA 1.700 63.996 62.300 -0.008 0.000 1.064 166 V CB 0.021 31.827 31.823 -0.028 0.000 0.675 166 V HN 0.362 nan 8.190 nan 0.000 0.461 167 S N -0.169 115.431 115.700 -0.167 0.000 2.368 167 S HA -0.113 4.356 4.470 -0.001 0.000 0.225 167 S C 1.928 176.485 174.600 -0.070 0.000 1.030 167 S CA 1.324 59.420 58.200 -0.174 0.000 0.999 167 S CB -0.322 62.767 63.200 -0.186 0.000 0.844 167 S HN 0.491 nan 8.310 nan 0.000 0.459 168 L N 1.282 122.449 121.223 -0.094 0.000 2.046 168 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 168 L C 2.018 178.807 176.870 -0.134 0.000 1.077 168 L CA 1.496 56.248 54.840 -0.146 0.000 0.747 168 L CB -0.392 41.523 42.059 -0.239 0.000 0.896 168 L HN 0.350 nan 8.230 nan 0.000 0.432 169 L N -1.271 119.893 121.223 -0.099 0.000 2.141 169 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 169 L C 2.443 179.286 176.870 -0.045 0.000 1.094 169 L CA 0.597 55.392 54.840 -0.075 0.000 0.763 169 L CB -0.373 41.673 42.059 -0.020 0.000 0.908 169 L HN 0.103 nan 8.230 nan 0.000 0.437 170 V N -0.237 119.653 119.914 -0.039 0.000 2.379 170 V HA -0.258 3.861 4.120 -0.001 0.000 0.245 170 V C 2.462 178.605 176.094 0.083 0.000 1.044 170 V CA 1.808 64.115 62.300 0.013 0.000 1.036 170 V CB -0.236 31.558 31.823 -0.047 0.000 0.664 170 V HN 0.423 nan 8.190 nan 0.000 0.453 171 E N 0.470 120.734 120.200 0.107 0.000 2.058 171 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 171 E C 1.966 178.612 176.600 0.077 0.000 0.997 171 E CA 1.876 58.374 56.400 0.162 0.000 0.801 171 E CB -0.312 29.495 29.700 0.179 0.000 0.746 171 E HN 0.611 nan 8.360 nan 0.000 0.450 172 I N 0.090 120.655 120.570 -0.008 0.000 2.394 172 I HA -0.208 3.961 4.170 -0.001 0.000 0.251 172 I C 2.294 178.392 176.117 -0.032 0.000 1.136 172 I CA 0.847 62.117 61.300 -0.050 0.000 1.425 172 I CB -0.265 37.660 38.000 -0.125 0.000 1.079 172 I HN 0.210 nan 8.210 nan 0.000 0.425 173 A N 0.652 123.460 122.820 -0.021 0.000 1.930 173 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 173 A C 2.508 180.078 177.584 -0.023 0.000 1.175 173 A CA 1.597 53.618 52.037 -0.025 0.000 0.627 173 A CB -0.646 18.340 19.000 -0.024 0.000 0.815 173 A HN 0.403 nan 8.150 nan 0.000 0.443 174 A N -0.178 122.641 122.820 -0.001 0.000 1.968 174 A HA 0.260 4.579 4.320 -0.001 0.000 0.217 174 A C 2.414 180.064 177.584 0.109 0.000 1.169 174 A CA 1.622 53.667 52.037 0.014 0.000 0.638 174 A CB -0.848 18.157 19.000 0.009 0.000 0.812 174 A HN 1.009 nan 8.150 nan 0.000 0.446 175 A N 0.037 122.889 122.820 0.054 0.000 1.948 175 A HA -0.134 4.185 4.320 -0.001 0.000 0.220 175 A C 2.344 179.919 177.584 -0.014 0.000 1.177 175 A CA 2.084 54.112 52.037 -0.014 0.000 0.636 175 A CB -0.921 18.034 19.000 -0.074 0.000 0.815 175 A HN 0.481 nan 8.150 nan 0.000 0.449 176 S N -0.170 115.526 115.700 -0.006 0.000 2.420 176 S HA -0.098 4.372 4.470 -0.001 0.000 0.237 176 S C 2.042 176.653 174.600 0.018 0.000 1.023 176 S CA 1.261 59.455 58.200 -0.010 0.000 0.991 176 S CB -0.342 62.845 63.200 -0.022 0.000 0.792 176 S HN 0.841 nan 8.310 nan 0.000 0.488 177 A N 1.160 124.026 122.820 0.076 0.000 2.030 177 A HA 0.171 4.490 4.320 -0.001 0.000 0.215 177 A C 1.844 179.546 177.584 0.195 0.000 1.164 177 A CA 0.271 52.390 52.037 0.137 0.000 0.697 177 A CB -0.302 18.779 19.000 0.135 0.000 0.827 177 A HN 0.375 nan 8.150 nan 0.000 0.457 178 I N 1.445 122.111 120.570 0.160 0.000 2.315 178 I HA -0.284 3.885 4.170 -0.001 0.000 0.251 178 I C 2.341 178.465 176.117 0.011 0.000 1.125 178 I CA 2.127 63.438 61.300 0.019 0.000 1.392 178 I CB -1.006 36.865 38.000 -0.215 0.000 1.065 178 I HN 0.599 nan 8.210 nan 0.000 0.424 179 K N 1.212 121.610 120.400 -0.003 0.000 2.486 179 K HA -0.022 4.297 4.320 -0.001 0.000 0.194 179 K C 1.635 178.256 176.600 0.035 0.000 1.033 179 K CA 0.997 57.286 56.287 0.003 0.000 1.004 179 K CB -0.316 32.175 32.500 -0.016 0.000 0.798 179 K HN 0.340 nan 8.250 nan 0.000 0.495 180 V N -1.040 118.903 119.914 0.049 0.000 3.650 180 V HA 0.023 4.142 4.120 -0.001 0.000 0.271 180 V C 1.651 177.768 176.094 0.040 0.000 1.281 180 V CA -0.038 62.286 62.300 0.041 0.000 1.120 180 V CB -0.398 31.444 31.823 0.032 0.000 0.856 180 V HN 0.040 nan 8.190 nan 0.000 0.443 181 I N 1.616 122.225 120.570 0.066 0.000 2.145 181 I HA -0.110 4.059 4.170 -0.001 0.000 0.244 181 I C 0.269 176.420 176.117 0.056 0.000 1.075 181 I CA 1.503 62.828 61.300 0.042 0.000 1.332 181 I CB -2.651 35.443 38.000 0.155 0.000 1.033 181 I HN 0.343 nan 8.210 nan 0.000 0.410 182 P HA -0.109 nan 4.420 nan 0.000 0.215 182 P C 1.836 179.204 177.300 0.114 0.000 1.153 182 P CA 1.791 65.001 63.100 0.182 0.000 0.853 182 P CB -0.178 31.610 31.700 0.147 0.000 0.788 183 T N -0.649 113.940 114.554 0.060 0.000 2.720 183 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 183 T C 1.821 176.526 174.700 0.008 0.000 1.037 183 T CA 1.367 63.489 62.100 0.037 0.000 1.144 183 T CB -1.114 67.769 68.868 0.026 0.000 0.864 183 T HN -0.115 nan 8.240 nan 0.000 0.444 184 V N 0.788 120.662 119.914 -0.065 0.000 2.287 184 V HA -0.159 3.960 4.120 -0.001 0.000 0.248 184 V C 2.162 178.149 176.094 -0.179 0.000 1.053 184 V CA 1.753 63.953 62.300 -0.167 0.000 1.027 184 V CB -0.766 30.848 31.823 -0.349 0.000 0.646 184 V HN 0.390 nan 8.190 nan 0.000 0.447 185 F N 0.331 120.296 119.950 0.025 0.000 2.259 185 F HA -0.050 4.476 4.527 -0.001 0.000 0.298 185 F C 2.287 178.070 175.800 -0.028 0.000 1.088 185 F CA 1.602 59.594 58.000 -0.013 0.000 1.358 185 F CB -0.607 38.384 39.000 -0.015 0.000 1.040 185 F HN 0.068 nan 8.300 nan 0.000 0.505 186 K N 0.705 121.199 120.400 0.156 0.000 2.001 186 K HA -0.074 4.245 4.320 -0.001 0.000 0.208 186 K C 2.275 178.905 176.600 0.050 0.000 1.048 186 K CA 1.381 57.721 56.287 0.088 0.000 0.932 186 K CB -0.579 31.965 32.500 0.074 0.000 0.715 186 K HN 0.073 nan 8.250 nan 0.000 0.437 187 A N 0.675 123.524 122.820 0.049 0.000 1.948 187 A HA -0.235 4.084 4.320 -0.001 0.000 0.220 187 A C 2.196 179.805 177.584 0.041 0.000 1.177 187 A CA 2.165 54.236 52.037 0.056 0.000 0.636 187 A CB -0.614 18.430 19.000 0.074 0.000 0.815 187 A HN 0.429 nan 8.150 nan 0.000 0.449 188 M N -0.704 118.878 119.600 -0.030 0.000 2.099 188 M HA -0.234 4.245 4.480 -0.001 0.000 0.262 188 M C 2.518 178.625 176.300 -0.322 0.000 1.067 188 M CA 2.072 57.172 55.300 -0.332 0.000 1.124 188 M CB -0.360 31.979 32.600 -0.435 0.000 1.353 188 M HN 0.752 nan 8.290 nan 0.000 0.410 189 Q N -0.794 118.921 119.800 -0.142 0.000 2.187 189 Q HA -0.052 4.287 4.340 -0.001 0.000 0.199 189 Q C 1.605 177.577 176.000 -0.048 0.000 0.957 189 Q CA 0.980 56.722 55.803 -0.101 0.000 0.857 189 Q CB -0.178 28.529 28.738 -0.052 0.000 0.929 189 Q HN 0.316 nan 8.270 nan 0.000 0.453 190 M N 0.146 119.737 119.600 -0.015 0.000 2.659 190 M HA 0.061 4.540 4.480 -0.001 0.000 0.243 190 M C 0.171 176.488 176.300 0.028 0.000 1.111 190 M CA 0.664 55.971 55.300 0.010 0.000 1.070 190 M CB -0.452 32.162 32.600 0.023 0.000 1.525 190 M HN 0.390 nan 8.290 nan 0.000 0.517 191 Q N 1.019 120.839 119.800 0.033 0.000 2.480 191 Q HA -0.172 4.167 4.340 -0.001 0.000 0.265 191 Q C -0.677 175.396 176.000 0.121 0.000 1.072 191 Q CA 0.545 56.410 55.803 0.104 0.000 1.018 191 Q CB -1.184 27.606 28.738 0.087 0.000 1.433 191 Q HN 0.350 nan 8.270 nan 0.000 0.513 192 E N 0.279 120.541 120.200 0.102 0.000 1.814 192 E HA 0.011 4.360 4.350 -0.001 0.000 0.264 192 E C 1.050 177.713 176.600 0.106 0.000 1.179 192 E CA -0.153 56.297 56.400 0.085 0.000 0.972 192 E CB 0.460 30.197 29.700 0.061 0.000 1.077 192 E HN 0.257 nan 8.360 nan 0.000 0.417 193 R N 2.688 123.247 120.500 0.098 0.000 2.083 193 R HA -0.173 4.166 4.340 -0.001 0.000 0.237 193 R C 0.512 176.837 176.300 0.041 0.000 1.137 193 R CA 1.516 57.657 56.100 0.069 0.000 0.951 193 R CB 0.181 30.497 30.300 0.027 0.000 0.851 193 R HN 0.330 nan 8.270 nan 0.000 0.434 194 D N -0.434 119.986 120.400 0.032 0.000 2.144 194 D HA -0.087 4.552 4.640 -0.001 0.000 0.200 194 D C 1.723 178.038 176.300 0.026 0.000 0.978 194 D CA 1.599 55.612 54.000 0.021 0.000 0.833 194 D CB -0.309 40.501 40.800 0.017 0.000 0.961 194 D HN 0.284 nan 8.370 nan 0.000 0.470 195 T N 1.592 116.168 114.554 0.036 0.000 2.746 195 T HA -0.080 4.269 4.350 -0.001 0.000 0.267 195 T C 2.035 176.759 174.700 0.039 0.000 1.039 195 T CA 0.269 62.390 62.100 0.035 0.000 1.142 195 T CB -0.263 68.629 68.868 0.040 0.000 0.866 195 T HN 0.127 nan 8.240 nan 0.000 0.444 196 L N 0.598 121.858 121.223 0.061 0.000 2.042 196 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 196 L C 2.409 179.305 176.870 0.043 0.000 1.076 196 L CA 1.431 56.315 54.840 0.073 0.000 0.749 196 L CB -0.391 41.755 42.059 0.146 0.000 0.893 196 L HN 0.260 nan 8.230 nan 0.000 0.432 197 L N 0.397 121.638 121.223 0.029 0.000 2.017 197 L HA -0.263 4.077 4.340 -0.001 0.000 0.208 197 L C 2.581 179.456 176.870 0.009 0.000 1.073 197 L CA 1.926 56.774 54.840 0.013 0.000 0.745 197 L CB -0.654 41.406 42.059 0.002 0.000 0.894 197 L HN 0.164 nan 8.230 nan 0.000 0.432 198 K N -0.791 119.614 120.400 0.009 0.000 2.097 198 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 198 K C 1.949 178.550 176.600 0.001 0.000 1.049 198 K CA 1.311 57.600 56.287 0.003 0.000 0.933 198 K CB -0.199 32.305 32.500 0.006 0.000 0.717 198 K HN 0.476 nan 8.250 nan 0.000 0.442 199 A N 1.343 124.167 122.820 0.006 0.000 1.873 199 A HA -0.112 4.207 4.320 -0.001 0.000 0.215 199 A C 2.119 179.700 177.584 -0.004 0.000 1.186 199 A CA 1.189 53.228 52.037 0.002 0.000 0.616 199 A CB -0.616 18.386 19.000 0.003 0.000 0.823 199 A HN 0.297 nan 8.150 nan 0.000 0.442 200 L N -0.568 120.656 121.223 0.002 0.000 2.042 200 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 200 L C 2.554 179.406 176.870 -0.030 0.000 1.076 200 L CA 1.123 55.961 54.840 -0.005 0.000 0.749 200 L CB -0.578 41.496 42.059 0.025 0.000 0.893 200 L HN 0.378 nan 8.230 nan 0.000 0.432 201 L N -0.414 120.795 121.223 -0.024 0.000 2.141 201 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 201 L C 2.605 179.446 176.870 -0.047 0.000 1.094 201 L CA 0.932 55.750 54.840 -0.036 0.000 0.763 201 L CB -0.390 41.654 42.059 -0.025 0.000 0.908 201 L HN 0.283 nan 8.230 nan 0.000 0.437 202 E N 1.147 121.325 120.200 -0.037 0.000 2.047 202 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 202 E C 2.060 178.623 176.600 -0.062 0.000 0.987 202 E CA 1.407 57.783 56.400 -0.039 0.000 0.799 202 E CB -0.209 29.479 29.700 -0.021 0.000 0.752 202 E HN 0.401 nan 8.360 nan 0.000 0.449 203 I N 0.654 121.185 120.570 -0.064 0.000 2.179 203 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 203 I C 2.439 178.437 176.117 -0.198 0.000 1.088 203 I CA 1.169 62.401 61.300 -0.114 0.000 1.357 203 I CB -0.510 37.445 38.000 -0.074 0.000 1.051 203 I HN 0.236 nan 8.210 nan 0.000 0.409 204 A N -0.253 122.471 122.820 -0.160 0.000 1.940 204 A HA -0.273 4.046 4.320 -0.001 0.000 0.219 204 A C 2.489 179.984 177.584 -0.149 0.000 1.176 204 A CA 2.357 54.293 52.037 -0.169 0.000 0.631 204 A CB -0.830 18.095 19.000 -0.125 0.000 0.814 204 A HN 0.426 nan 8.150 nan 0.000 0.446 205 S N -1.276 114.356 115.700 -0.114 0.000 2.383 205 S HA -0.175 4.294 4.470 -0.001 0.000 0.227 205 S C 1.953 176.488 174.600 -0.109 0.000 1.026 205 S CA 1.534 59.677 58.200 -0.095 0.000 0.981 205 S CB -0.764 62.395 63.200 -0.069 0.000 0.818 205 S HN 0.672 nan 8.310 nan 0.000 0.472 206 C N 1.131 120.354 119.300 -0.128 0.000 2.440 206 C HA 0.120 4.580 4.460 -0.001 0.000 0.278 206 C C 2.484 177.369 174.990 -0.175 0.000 1.295 206 C CA 0.395 59.334 59.018 -0.132 0.000 1.738 206 C CB -1.525 26.141 27.740 -0.123 0.000 1.987 206 C HN 0.571 nan 8.230 nan 0.000 0.492 207 L N 0.503 121.575 121.223 -0.252 0.000 2.156 207 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 207 L C 2.529 179.303 176.870 -0.161 0.000 1.095 207 L CA 1.406 56.081 54.840 -0.274 0.000 0.770 207 L CB -0.671 41.157 42.059 -0.387 0.000 0.914 207 L HN 0.430 nan 8.230 nan 0.000 0.439 208 E N 0.239 120.354 120.200 -0.142 0.000 2.150 208 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 208 E C 2.068 178.603 176.600 -0.108 0.000 0.985 208 E CA 0.845 57.178 56.400 -0.111 0.000 0.814 208 E CB 0.098 29.739 29.700 -0.099 0.000 0.752 208 E HN 0.424 nan 8.360 nan 0.000 0.466 209 K N 0.544 120.883 120.400 -0.102 0.000 2.103 209 K HA 0.001 4.320 4.320 -0.001 0.000 0.204 209 K C 2.186 178.738 176.600 -0.080 0.000 1.052 209 K CA 0.847 57.080 56.287 -0.091 0.000 0.945 209 K CB -0.014 32.442 32.500 -0.074 0.000 0.722 209 K HN 0.025 nan 8.250 nan 0.000 0.443 210 A N 1.527 124.311 122.820 -0.059 0.000 1.972 210 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 210 A C 2.060 179.679 177.584 0.058 0.000 1.169 210 A CA 1.072 53.111 52.037 0.004 0.000 0.635 210 A CB -0.415 18.594 19.000 0.015 0.000 0.810 210 A HN 0.228 nan 8.150 nan 0.000 0.446 211 L N -0.877 120.337 121.223 -0.016 0.000 2.093 211 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 211 L C 2.296 178.971 176.870 -0.324 0.000 1.085 211 L CA 2.294 57.082 54.840 -0.087 0.000 0.755 211 L CB -0.690 41.277 42.059 -0.153 0.000 0.904 211 L HN 0.348 nan 8.230 nan 0.000 0.435 212 Q N -0.751 118.837 119.800 -0.353 0.000 2.046 212 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 212 Q C 2.252 178.065 176.000 -0.312 0.000 0.975 212 Q CA 2.133 57.614 55.803 -0.538 0.000 0.836 212 Q CB -0.616 27.954 28.738 -0.279 0.000 0.896 212 Q HN 0.407 nan 8.270 nan 0.000 0.428 213 V N 0.348 120.202 119.914 -0.100 0.000 2.324 213 V HA -0.270 3.849 4.120 -0.001 0.000 0.250 213 V C 1.964 178.117 176.094 0.097 0.000 1.060 213 V CA 1.891 64.193 62.300 0.003 0.000 1.042 213 V CB -0.709 31.118 31.823 0.006 0.000 0.650 213 V HN 0.322 nan 8.190 nan 0.000 0.450 214 F N 0.519 120.462 119.950 -0.012 0.000 2.236 214 F HA -0.207 4.320 4.527 -0.001 0.000 0.302 214 F C 2.335 178.277 175.800 0.236 0.000 1.073 214 F CA 1.730 59.794 58.000 0.106 0.000 1.336 214 F CB -0.500 38.568 39.000 0.113 0.000 1.040 214 F HN 0.300 nan 8.300 nan 0.000 0.507 215 H N -0.284 118.930 119.070 0.241 0.000 2.422 215 H HA -0.145 4.410 4.556 -0.001 0.000 0.298 215 H C 2.086 177.541 175.328 0.212 0.000 1.098 215 H CA 1.479 57.679 56.048 0.253 0.000 1.315 215 H CB -0.673 29.158 29.762 0.115 0.000 1.382 215 H HN 0.425 nan 8.280 nan 0.000 0.523 216 Q N -0.323 119.616 119.800 0.232 0.000 2.291 216 Q HA -0.102 4.237 4.340 -0.001 0.000 0.206 216 Q C 2.114 178.107 176.000 -0.011 0.000 0.976 216 Q CA 0.424 56.262 55.803 0.060 0.000 0.875 216 Q CB 0.029 28.808 28.738 0.068 0.000 0.927 216 Q HN 0.388 nan 8.270 nan 0.000 0.450 217 I N 1.063 121.661 120.570 0.048 0.000 2.315 217 I HA -0.306 3.863 4.170 -0.001 0.000 0.251 217 I C 1.762 177.820 176.117 -0.098 0.000 1.125 217 I CA 1.767 63.029 61.300 -0.062 0.000 1.392 217 I CB -0.439 37.501 38.000 -0.101 0.000 1.065 217 I HN 0.369 nan 8.210 nan 0.000 0.424 218 H N 0.371 119.492 119.070 0.086 0.000 2.462 218 H HA -0.058 4.497 4.556 -0.001 0.000 0.292 218 H C 1.360 176.681 175.328 -0.012 0.000 1.049 218 H CA 1.208 57.325 56.048 0.115 0.000 1.334 218 H CB 0.019 29.832 29.762 0.084 0.000 1.404 218 H HN 0.425 nan 8.280 nan 0.000 0.544 219 D N -0.227 120.107 120.400 -0.110 0.000 2.347 219 D HA -0.041 4.599 4.640 -0.001 0.000 0.213 219 D C 1.070 177.059 176.300 -0.519 0.000 0.985 219 D CA 0.681 54.446 54.000 -0.391 0.000 0.879 219 D CB 0.193 40.587 40.800 -0.676 0.000 0.919 219 D HN 0.562 nan 8.370 nan 0.000 0.526 220 H N -1.023 118.048 119.070 0.002 0.000 3.233 220 H HA 0.290 4.845 4.556 -0.001 0.000 0.263 220 H C -0.167 175.220 175.328 0.099 0.000 1.168 220 H CA 0.057 56.112 56.048 0.011 0.000 1.159 220 H CB 1.445 31.111 29.762 -0.159 0.000 1.593 220 H HN -0.138 nan 8.280 nan 0.000 0.580 221 V N 2.595 122.633 119.914 0.207 0.000 2.577 221 V HA 0.166 4.285 4.120 -0.001 0.000 0.303 221 V C 0.077 176.401 176.094 0.384 0.000 1.042 221 V CA -1.107 61.349 62.300 0.259 0.000 0.872 221 V CB 2.708 34.603 31.823 0.120 0.000 0.998 221 V HN 0.343 nan 8.190 nan 0.000 0.423 222 N N 5.425 124.311 118.700 0.309 0.000 2.438 222 N HA 0.310 5.049 4.740 -0.001 0.000 0.282 222 N C -2.092 173.551 175.510 0.222 0.000 1.037 222 N CA -1.569 51.605 53.050 0.207 0.000 0.942 222 N CB 2.808 41.375 38.487 0.134 0.000 1.136 222 N HN 0.187 nan 8.380 nan 0.000 0.481 223 P HA -0.210 nan 4.420 nan 0.000 0.215 223 P C 1.194 178.587 177.300 0.155 0.000 1.163 223 P CA 1.836 64.859 63.100 -0.129 0.000 0.894 223 P CB 0.218 31.675 31.700 -0.405 0.000 0.791 224 K N -0.676 119.780 120.400 0.093 0.000 2.057 224 K HA -0.107 4.213 4.320 -0.001 0.000 0.206 224 K C 2.002 178.701 176.600 0.165 0.000 1.050 224 K CA 1.475 57.844 56.287 0.138 0.000 0.935 224 K CB -0.595 31.951 32.500 0.077 0.000 0.715 224 K HN -0.036 nan 8.250 nan 0.000 0.439 225 A N 0.704 123.615 122.820 0.151 0.000 1.902 225 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 225 A C 1.970 179.617 177.584 0.104 0.000 1.181 225 A CA 1.252 53.363 52.037 0.123 0.000 0.623 225 A CB -0.747 18.330 19.000 0.129 0.000 0.818 225 A HN 0.522 nan 8.150 nan 0.000 0.443 226 F N -0.554 119.439 119.950 0.072 0.000 2.075 226 F HA -0.131 4.395 4.527 -0.001 0.000 0.297 226 F C 1.937 177.732 175.800 -0.009 0.000 1.113 226 F CA 1.997 59.997 58.000 0.001 0.000 1.218 226 F CB -0.562 38.483 39.000 0.075 0.000 0.984 226 F HN 0.265 nan 8.300 nan 0.000 0.472 227 F N 1.076 121.000 119.950 -0.044 0.000 2.134 227 F HA -0.141 4.386 4.527 -0.001 0.000 0.299 227 F C 2.621 178.290 175.800 -0.218 0.000 1.097 227 F CA 1.894 59.808 58.000 -0.143 0.000 1.264 227 F CB -0.724 38.306 39.000 0.051 0.000 1.001 227 F HN 0.111 nan 8.300 nan 0.000 0.479 228 S N -1.697 113.900 115.700 -0.172 0.000 2.503 228 S HA 0.108 4.578 4.470 -0.001 0.000 0.217 228 S C 1.369 175.812 174.600 -0.260 0.000 0.999 228 S CA 0.704 58.758 58.200 -0.243 0.000 0.914 228 S CB -0.132 63.071 63.200 0.005 0.000 0.782 228 S HN 0.164 nan 8.310 nan 0.000 0.520 229 V N 0.753 120.531 119.914 -0.226 0.000 3.240 229 V HA 0.263 4.382 4.120 -0.001 0.000 0.218 229 V C 2.122 178.106 176.094 -0.183 0.000 1.190 229 V CA 0.117 62.328 62.300 -0.148 0.000 1.280 229 V CB -0.918 30.916 31.823 0.020 0.000 1.244 229 V HN 0.302 nan 8.190 nan 0.000 0.512 230 L N 0.652 121.759 121.223 -0.194 0.000 1.997 230 L HA -0.299 4.040 4.340 -0.001 0.000 0.216 230 L C 2.817 179.449 176.870 -0.397 0.000 1.074 230 L CA 2.630 57.345 54.840 -0.209 0.000 0.763 230 L CB -0.407 41.459 42.059 -0.321 0.000 0.890 230 L HN 0.389 nan 8.230 nan 0.000 0.434 231 R N -0.150 119.885 120.500 -0.775 0.000 2.133 231 R HA -0.236 4.104 4.340 -0.001 0.000 0.247 231 R C 2.128 178.087 176.300 -0.569 0.000 1.151 231 R CA 1.760 57.426 56.100 -0.723 0.000 0.971 231 R CB -0.138 29.622 30.300 -0.899 0.000 0.866 231 R HN 0.338 nan 8.270 nan 0.000 0.447 232 I N 0.150 120.332 120.570 -0.647 0.000 2.179 232 I HA -0.258 3.911 4.170 -0.001 0.000 0.242 232 I C 1.851 177.366 176.117 -1.003 0.000 1.088 232 I CA 1.522 62.308 61.300 -0.856 0.000 1.357 232 I CB -1.366 36.093 38.000 -0.901 0.000 1.051 232 I HN 0.187 nan 8.210 nan 0.000 0.409 233 Y N 0.492 120.440 120.300 -0.586 0.000 2.509 233 Y HA -0.025 4.524 4.550 -0.001 0.000 0.293 233 Y C 2.286 178.017 175.900 -0.282 0.000 1.133 233 Y CA 0.605 58.382 58.100 -0.539 0.000 1.283 233 Y CB -0.455 37.352 38.460 -1.087 0.000 1.001 233 Y HN 0.088 nan 8.280 nan 0.000 0.555 234 L N -1.267 119.910 121.223 -0.077 0.000 2.592 234 L HA 0.099 4.438 4.340 -0.001 0.000 0.227 234 L C 0.652 177.563 176.870 0.068 0.000 1.127 234 L CA -0.088 54.823 54.840 0.118 0.000 0.884 234 L CB -0.106 42.081 42.059 0.213 0.000 1.065 234 L HN -0.084 nan 8.230 nan 0.000 0.457 235 S N -0.014 115.639 115.700 -0.079 0.000 2.576 235 S HA 0.455 4.924 4.470 -0.001 0.000 0.276 235 S C 0.594 175.357 174.600 0.272 0.000 1.339 235 S CA -0.254 57.921 58.200 -0.041 0.000 1.039 235 S CB 1.577 64.561 63.200 -0.360 0.000 0.902 235 S HN 0.322 nan 8.310 nan 0.000 0.516 236 G N 0.273 109.158 108.800 0.142 0.000 2.857 236 G HA2 0.593 4.552 3.960 -0.001 0.000 0.217 236 G HA3 0.593 4.552 3.960 -0.001 0.000 0.217 236 G C -1.310 173.780 174.900 0.316 0.000 1.357 236 G CA -0.990 44.041 45.100 -0.116 0.000 1.033 236 G HN 0.863 nan 8.290 nan 0.000 0.571 237 W N -0.479 121.003 121.300 0.304 0.000 1.683 237 W HA 0.699 5.358 4.660 -0.002 0.000 0.295 237 W C -0.302 176.309 176.519 0.153 0.000 0.865 237 W CA -1.152 56.325 57.345 0.221 0.000 2.079 237 W CB 0.503 30.055 29.460 0.153 0.000 2.263 237 W HN 0.338 nan 8.180 nan 0.000 0.427 238 K N 1.247 121.774 120.400 0.213 0.000 2.578 238 K HA 0.511 4.830 4.320 -0.001 0.000 0.250 238 K C 0.937 177.601 176.600 0.108 0.000 0.955 238 K CA -0.288 56.077 56.287 0.129 0.000 0.825 238 K CB 1.239 33.790 32.500 0.085 0.000 1.151 238 K HN 0.572 nan 8.250 nan 0.000 0.432 239 G N 2.903 111.759 108.800 0.094 0.000 2.225 239 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.267 239 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.267 239 G C -0.445 174.504 174.900 0.082 0.000 1.024 239 G CA 0.344 45.488 45.100 0.073 0.000 0.784 239 G HN 0.631 nan 8.290 nan 0.000 0.507 240 N N 0.222 118.998 118.700 0.127 0.000 2.437 240 N HA 0.425 5.164 4.740 -0.001 0.000 0.259 240 N C -0.757 174.827 175.510 0.124 0.000 0.983 240 N CA -2.054 51.081 53.050 0.141 0.000 0.937 240 N CB 1.787 40.426 38.487 0.253 0.000 1.122 240 N HN -0.062 nan 8.380 nan 0.000 0.499 241 P HA -0.192 nan 4.420 nan 0.000 0.215 241 P C 0.883 178.229 177.300 0.077 0.000 1.157 241 P CA 1.653 64.791 63.100 0.063 0.000 0.874 241 P CB 0.196 31.919 31.700 0.038 0.000 0.790 242 Q N -1.114 118.749 119.800 0.105 0.000 2.482 242 Q HA 0.015 4.354 4.340 -0.001 0.000 0.209 242 Q C 0.764 176.838 176.000 0.125 0.000 0.961 242 Q CA 0.758 56.631 55.803 0.116 0.000 0.945 242 Q CB -0.322 28.502 28.738 0.144 0.000 1.012 242 Q HN 0.299 nan 8.270 nan 0.000 0.515 243 L N 1.079 122.387 121.223 0.142 0.000 2.980 243 L HA 0.189 4.528 4.340 -0.001 0.000 0.314 243 L C 1.018 177.948 176.870 0.101 0.000 1.303 243 L CA -0.266 54.634 54.840 0.101 0.000 0.785 243 L CB 0.883 43.027 42.059 0.141 0.000 1.190 243 L HN 0.126 nan 8.230 nan 0.000 0.567 244 S N 0.836 116.581 115.700 0.075 0.000 2.451 244 S HA -0.295 4.174 4.470 -0.001 0.000 0.272 244 S C 1.257 175.891 174.600 0.056 0.000 1.136 244 S CA 2.651 60.887 58.200 0.060 0.000 1.209 244 S CB 0.033 63.256 63.200 0.038 0.000 1.130 244 S HN 0.595 nan 8.310 nan 0.000 0.440 245 D N 0.835 121.259 120.400 0.040 0.000 2.349 245 D HA 0.386 5.025 4.640 -0.001 0.000 0.214 245 D C 1.110 177.435 176.300 0.042 0.000 1.063 245 D CA 0.930 54.948 54.000 0.031 0.000 0.847 245 D CB 0.427 41.236 40.800 0.015 0.000 0.933 245 D HN 0.644 nan 8.370 nan 0.000 0.513 246 G N 0.695 109.537 108.800 0.071 0.000 2.483 246 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.521 246 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.521 246 G C -1.399 173.476 174.900 -0.042 0.000 1.278 246 G CA -0.676 44.494 45.100 0.116 0.000 0.965 246 G HN 0.180 nan 8.290 nan 0.000 0.504 247 L N -0.301 120.842 121.223 -0.134 0.000 2.331 247 L HA 0.833 5.172 4.340 -0.001 0.000 0.275 247 L C 0.334 177.114 176.870 -0.149 0.000 1.022 247 L CA -0.849 53.742 54.840 -0.416 0.000 0.812 247 L CB 1.850 43.239 42.059 -1.118 0.000 1.257 247 L HN 1.364 nan 8.230 nan 0.000 0.435 248 V N 5.551 125.363 119.914 -0.170 0.000 2.370 248 V HA 0.366 4.485 4.120 -0.001 0.000 0.279 248 V C -1.048 175.031 176.094 -0.024 0.000 1.029 248 V CA -0.247 62.075 62.300 0.036 0.000 0.870 248 V CB 0.799 32.645 31.823 0.039 0.000 0.984 248 V HN 0.673 nan 8.190 nan 0.000 0.451 249 Y N 4.842 125.286 120.300 0.240 0.000 2.714 249 Y HA 0.327 4.876 4.550 -0.001 0.000 0.333 249 Y C 0.895 176.896 175.900 0.169 0.000 1.220 249 Y CA -0.257 57.970 58.100 0.212 0.000 1.513 249 Y CB 0.126 38.785 38.460 0.332 0.000 1.435 249 Y HN 0.742 nan 8.280 nan 0.000 0.489 250 E N 1.881 122.177 120.200 0.160 0.000 2.558 250 E HA 0.120 4.469 4.350 -0.001 0.000 0.255 250 E C 1.247 177.923 176.600 0.127 0.000 0.968 250 E CA 1.164 57.635 56.400 0.118 0.000 0.939 250 E CB 0.092 29.820 29.700 0.047 0.000 0.921 250 E HN 0.963 nan 8.360 nan 0.000 0.477 251 G N 3.593 112.458 108.800 0.107 0.000 2.199 251 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.254 251 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.254 251 G C 0.317 175.248 174.900 0.051 0.000 0.982 251 G CA 0.337 45.480 45.100 0.072 0.000 0.632 251 G HN 0.619 nan 8.290 nan 0.000 0.529 252 F N -0.846 119.064 119.950 -0.065 0.000 2.549 252 F HA 0.572 5.098 4.527 -0.002 0.000 0.275 252 F C 0.346 175.954 175.800 -0.320 0.000 0.990 252 F CA -0.025 57.806 58.000 -0.282 0.000 1.274 252 F CB 0.492 39.189 39.000 -0.504 0.000 1.064 252 F HN 0.111 nan 8.300 nan 0.000 0.715 253 W N 2.338 123.797 121.300 0.265 0.000 2.736 253 W HA 0.259 4.918 4.660 -0.001 0.000 0.335 253 W C 0.932 177.518 176.519 0.112 0.000 1.059 253 W CA -0.911 56.535 57.345 0.169 0.000 1.226 253 W CB 1.173 30.783 29.460 0.250 0.000 1.416 253 W HN 0.052 nan 8.180 nan 0.000 0.505 254 E N 1.276 121.674 120.200 0.329 0.000 2.005 254 E HA -0.166 4.183 4.350 -0.001 0.000 0.198 254 E C 0.035 176.738 176.600 0.171 0.000 1.010 254 E CA 1.629 58.140 56.400 0.184 0.000 0.825 254 E CB -0.661 29.114 29.700 0.126 0.000 0.769 254 E HN 0.297 nan 8.360 nan 0.000 0.456 255 D N 1.612 122.102 120.400 0.150 0.000 2.437 255 D HA 0.327 4.966 4.640 -0.001 0.000 0.259 255 D C -2.134 174.244 176.300 0.131 0.000 1.118 255 D CA -1.708 52.354 54.000 0.103 0.000 1.017 255 D CB 0.688 41.515 40.800 0.044 0.000 1.120 255 D HN 0.096 nan 8.370 nan 0.000 0.541 256 P HA 0.093 nan 4.420 nan 0.000 0.272 256 P C -0.575 176.759 177.300 0.057 0.000 1.223 256 P CA -0.268 62.894 63.100 0.103 0.000 0.784 256 P CB 0.894 32.619 31.700 0.041 0.000 0.923 257 K N 1.938 122.418 120.400 0.132 0.000 2.324 257 K HA 0.384 4.703 4.320 -0.001 0.000 0.253 257 K C 0.008 176.578 176.600 -0.049 0.000 0.932 257 K CA -0.642 55.584 56.287 -0.102 0.000 0.799 257 K CB 2.043 34.379 32.500 -0.273 0.000 1.154 257 K HN 0.460 nan 8.250 nan 0.000 0.425 258 E N 1.986 121.997 120.200 -0.314 0.000 2.197 258 E HA 0.427 4.776 4.350 -0.001 0.000 0.281 258 E C -0.924 175.386 176.600 -0.484 0.000 0.995 258 E CA -0.422 55.895 56.400 -0.139 0.000 0.808 258 E CB 0.792 30.449 29.700 -0.071 0.000 1.093 258 E HN 0.216 nan 8.360 nan 0.000 0.394 259 F N 0.734 120.776 119.950 0.153 0.000 2.581 259 F HA 0.390 4.916 4.527 -0.001 0.000 0.311 259 F C 0.170 175.906 175.800 -0.105 0.000 1.113 259 F CA -0.927 57.102 58.000 0.049 0.000 0.935 259 F CB 1.453 40.467 39.000 0.023 0.000 1.232 259 F HN 0.441 nan 8.300 nan 0.000 0.445 260 A N 1.487 124.443 122.820 0.227 0.000 2.386 260 A HA 0.627 4.946 4.320 -0.001 0.000 0.248 260 A C 0.614 178.141 177.584 -0.096 0.000 1.082 260 A CA 0.299 52.312 52.037 -0.039 0.000 0.789 260 A CB -0.039 18.816 19.000 -0.241 0.000 1.025 260 A HN 0.978 nan 8.150 nan 0.000 0.490 261 G N -0.103 108.646 108.800 -0.084 0.000 2.588 261 G HA2 0.491 4.450 3.960 -0.001 0.000 0.281 261 G HA3 0.491 4.450 3.960 -0.001 0.000 0.281 261 G C 0.582 175.499 174.900 0.029 0.000 1.236 261 G CA -0.106 44.971 45.100 -0.038 0.000 0.969 261 G HN 1.264 nan 8.290 nan 0.000 0.504 262 G N -1.061 107.818 108.800 0.132 0.000 2.353 262 G HA2 0.408 4.367 3.960 -0.001 0.000 0.239 262 G HA3 0.408 4.367 3.960 -0.001 0.000 0.239 262 G C 0.091 175.127 174.900 0.227 0.000 1.295 262 G CA 0.950 46.178 45.100 0.214 0.000 0.884 262 G HN 1.129 nan 8.290 nan 0.000 0.537 263 S N 0.346 116.175 115.700 0.216 0.000 2.535 263 S HA 0.520 4.989 4.470 -0.001 0.000 0.272 263 S C 0.753 175.376 174.600 0.038 0.000 1.149 263 S CA 0.293 58.604 58.200 0.185 0.000 0.888 263 S CB 1.298 64.602 63.200 0.172 0.000 1.110 263 S HN 1.478 nan 8.310 nan 0.000 0.463 264 A N 2.959 125.763 122.820 -0.027 0.000 2.216 264 A HA 0.239 4.559 4.320 -0.001 0.000 0.214 264 A C 1.877 179.238 177.584 -0.371 0.000 1.160 264 A CA 1.386 53.152 52.037 -0.452 0.000 0.725 264 A CB -1.050 17.791 19.000 -0.265 0.000 0.784 264 A HN 1.288 nan 8.150 nan 0.000 0.472 265 G N -0.755 107.970 108.800 -0.125 0.000 2.559 265 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.216 265 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.216 265 G C 1.279 176.048 174.900 -0.219 0.000 1.126 265 G CA 0.667 45.715 45.100 -0.086 0.000 0.778 265 G HN 0.692 nan 8.290 nan 0.000 0.543 266 Q N 0.084 119.725 119.800 -0.265 0.000 2.360 266 Q HA 0.171 4.510 4.340 -0.001 0.000 0.202 266 Q C 1.024 176.873 176.000 -0.252 0.000 0.915 266 Q CA -0.225 55.465 55.803 -0.189 0.000 0.943 266 Q CB 0.584 29.301 28.738 -0.034 0.000 1.064 266 Q HN 0.299 nan 8.270 nan 0.000 0.511 267 S N -0.028 115.383 115.700 -0.483 0.000 2.488 267 S HA 0.080 4.549 4.470 -0.001 0.000 0.278 267 S C 0.916 175.379 174.600 -0.228 0.000 1.259 267 S CA -0.385 57.565 58.200 -0.417 0.000 1.061 267 S CB 0.919 63.844 63.200 -0.459 0.000 0.910 267 S HN 0.190 nan 8.310 nan 0.000 0.491 268 S N 4.072 119.539 115.700 -0.389 0.000 2.423 268 S HA -0.082 4.387 4.470 -0.001 0.000 0.231 268 S C 1.932 176.247 174.600 -0.475 0.000 1.014 268 S CA 0.876 58.694 58.200 -0.638 0.000 0.965 268 S CB -0.253 62.053 63.200 -1.491 0.000 0.785 268 S HN 0.648 nan 8.310 nan 0.000 0.495 269 V N 1.170 120.933 119.914 -0.253 0.000 2.231 269 V HA -0.218 3.901 4.120 -0.001 0.000 0.248 269 V C 1.912 178.056 176.094 0.084 0.000 1.054 269 V CA 1.972 64.341 62.300 0.116 0.000 1.015 269 V CB -0.681 31.307 31.823 0.276 0.000 0.638 269 V HN 0.451 nan 8.190 nan 0.000 0.444 270 F N -0.316 119.680 119.950 0.077 0.000 2.259 270 F HA -0.093 4.433 4.527 -0.001 0.000 0.298 270 F C 2.587 178.428 175.800 0.069 0.000 1.088 270 F CA 1.161 59.239 58.000 0.130 0.000 1.358 270 F CB -0.524 38.511 39.000 0.059 0.000 1.040 270 F HN 0.167 nan 8.300 nan 0.000 0.505 271 Q N -0.641 119.247 119.800 0.146 0.000 2.119 271 Q HA -0.208 4.131 4.340 -0.001 0.000 0.201 271 Q C 2.585 178.583 176.000 -0.003 0.000 0.972 271 Q CA 1.748 57.581 55.803 0.050 0.000 0.847 271 Q CB -0.735 27.990 28.738 -0.021 0.000 0.903 271 Q HN 0.639 nan 8.270 nan 0.000 0.433 272 C N -0.440 118.816 119.300 -0.073 0.000 2.435 272 C HA -0.051 4.408 4.460 -0.001 0.000 0.279 272 C C 2.320 177.174 174.990 -0.227 0.000 1.321 272 C CA 0.064 58.989 59.018 -0.154 0.000 1.752 272 C CB -1.217 26.472 27.740 -0.085 0.000 1.959 272 C HN 0.295 nan 8.230 nan 0.000 0.500 273 F N 1.770 121.734 119.950 0.025 0.000 2.325 273 F HA 0.058 4.584 4.527 -0.001 0.000 0.299 273 F C 2.317 178.115 175.800 -0.004 0.000 1.090 273 F CA 1.692 59.684 58.000 -0.013 0.000 1.392 273 F CB -0.598 38.353 39.000 -0.082 0.000 1.053 273 F HN 0.228 nan 8.300 nan 0.000 0.521 274 D N -0.081 120.414 120.400 0.158 0.000 2.117 274 D HA -0.116 4.523 4.640 -0.001 0.000 0.198 274 D C 2.580 178.930 176.300 0.083 0.000 0.982 274 D CA 1.117 55.184 54.000 0.113 0.000 0.828 274 D CB -0.470 40.388 40.800 0.097 0.000 0.967 274 D HN 0.079 nan 8.370 nan 0.000 0.464 275 V N 2.123 122.064 119.914 0.045 0.000 2.237 275 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 275 V C 2.564 178.696 176.094 0.062 0.000 1.046 275 V CA 1.057 63.373 62.300 0.026 0.000 1.007 275 V CB -0.535 31.267 31.823 -0.035 0.000 0.638 275 V HN 0.241 nan 8.190 nan 0.000 0.445 276 L N 0.138 121.392 121.223 0.052 0.000 2.010 276 L HA -0.233 4.106 4.340 -0.001 0.000 0.219 276 L C 2.171 179.127 176.870 0.142 0.000 1.077 276 L CA 2.357 57.255 54.840 0.095 0.000 0.773 276 L CB -0.819 41.276 42.059 0.060 0.000 0.892 276 L HN 0.326 nan 8.230 nan 0.000 0.436 277 L N -0.178 121.137 121.223 0.153 0.000 2.610 277 L HA 0.058 4.398 4.340 -0.001 0.000 0.232 277 L C 1.430 178.453 176.870 0.255 0.000 1.149 277 L CA 0.573 55.537 54.840 0.206 0.000 0.872 277 L CB -0.721 41.372 42.059 0.058 0.000 0.992 277 L HN 0.640 nan 8.230 nan 0.000 0.447 278 G N 1.086 109.989 108.800 0.171 0.000 2.176 278 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.252 278 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.252 278 G C 0.106 175.081 174.900 0.125 0.000 1.024 278 G CA -0.193 44.992 45.100 0.143 0.000 0.755 278 G HN 0.331 nan 8.290 nan 0.000 0.507 279 I N 0.993 121.629 120.570 0.110 0.000 2.312 279 I HA 0.175 4.344 4.170 -0.001 0.000 0.291 279 I C 0.834 176.990 176.117 0.066 0.000 1.031 279 I CA -0.395 60.957 61.300 0.087 0.000 1.293 279 I CB 1.122 39.169 38.000 0.077 0.000 1.403 279 I HN 0.123 nan 8.210 nan 0.000 0.484 280 Q N 6.954 126.787 119.800 0.056 0.000 3.181 280 Q HA 0.094 4.433 4.340 -0.001 0.000 0.293 280 Q C 0.521 176.546 176.000 0.042 0.000 1.406 280 Q CA -0.258 55.572 55.803 0.045 0.000 1.026 280 Q CB 0.506 29.268 28.738 0.041 0.000 1.630 280 Q HN 0.631 nan 8.270 nan 0.000 0.553 281 Q N 0.237 120.063 119.800 0.043 0.000 2.124 281 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 281 Q C 1.257 177.288 176.000 0.050 0.000 0.977 281 Q CA 1.428 57.257 55.803 0.044 0.000 0.850 281 Q CB 0.026 28.793 28.738 0.049 0.000 0.901 281 Q HN 0.444 nan 8.270 nan 0.000 0.429 282 T N 0.865 115.443 114.554 0.041 0.000 3.088 282 T HA 0.186 4.535 4.350 -0.001 0.000 0.259 282 T C 0.695 175.416 174.700 0.036 0.000 1.122 282 T CA 0.385 62.507 62.100 0.036 0.000 1.095 282 T CB 0.012 68.891 68.868 0.019 0.000 0.930 282 T HN 0.281 nan 8.240 nan 0.000 0.508 283 A N 0.761 123.603 122.820 0.036 0.000 2.366 283 A HA 0.613 4.932 4.320 -0.001 0.000 0.249 283 A C 1.086 178.694 177.584 0.040 0.000 1.084 283 A CA 0.301 52.358 52.037 0.034 0.000 0.794 283 A CB -0.597 18.422 19.000 0.032 0.000 1.034 283 A HN 0.777 nan 8.150 nan 0.000 0.491 284 G N -0.569 108.253 108.800 0.037 0.000 2.796 284 G HA2 0.284 4.243 3.960 -0.001 0.000 0.571 284 G HA3 0.284 4.243 3.960 -0.001 0.000 0.571 284 G C 0.610 175.538 174.900 0.047 0.000 1.370 284 G CA 0.022 45.147 45.100 0.041 0.000 0.856 284 G HN 1.938 nan 8.290 nan 0.000 0.538 285 G N -0.152 108.679 108.800 0.051 0.000 3.277 285 G HA2 0.643 4.602 3.960 -0.001 0.000 0.243 285 G HA3 0.643 4.602 3.960 -0.001 0.000 0.243 285 G C 1.003 175.949 174.900 0.077 0.000 1.107 285 G CA 1.094 46.227 45.100 0.056 0.000 0.771 285 G HN 1.650 nan 8.290 nan 0.000 0.544 286 G N -0.696 108.157 108.800 0.088 0.000 2.630 286 G HA2 0.129 4.088 3.960 -0.001 0.000 0.236 286 G HA3 0.129 4.088 3.960 -0.001 0.000 0.236 286 G C 0.880 175.884 174.900 0.173 0.000 1.248 286 G CA -0.058 45.117 45.100 0.126 0.000 0.844 286 G HN 0.259 nan 8.290 nan 0.000 0.588 287 H N 1.351 120.487 119.070 0.110 0.000 2.387 287 H HA -0.139 4.417 4.556 -0.001 0.000 0.299 287 H C 2.469 177.940 175.328 0.238 0.000 1.090 287 H CA 1.883 58.015 56.048 0.139 0.000 1.332 287 H CB -0.181 29.645 29.762 0.107 0.000 1.386 287 H HN 0.451 nan 8.280 nan 0.000 0.516 288 A N 1.222 124.262 122.820 0.366 0.000 1.902 288 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 288 A C 2.761 180.544 177.584 0.332 0.000 1.181 288 A CA 1.810 54.137 52.037 0.482 0.000 0.623 288 A CB -1.060 18.116 19.000 0.295 0.000 0.818 288 A HN 0.582 nan 8.150 nan 0.000 0.443 289 A N -0.804 122.128 122.820 0.188 0.000 1.898 289 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 289 A C 2.122 179.761 177.584 0.092 0.000 1.181 289 A CA 1.601 53.712 52.037 0.124 0.000 0.620 289 A CB -0.566 18.486 19.000 0.086 0.000 0.819 289 A HN 0.639 nan 8.150 nan 0.000 0.442 290 Q N -1.809 118.036 119.800 0.075 0.000 2.096 290 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 290 Q C 1.919 177.932 176.000 0.021 0.000 0.982 290 Q CA 1.690 57.515 55.803 0.037 0.000 0.850 290 Q CB -0.316 28.439 28.738 0.028 0.000 0.901 290 Q HN 0.742 nan 8.270 nan 0.000 0.422 291 F N 1.114 120.984 119.950 -0.133 0.000 2.075 291 F HA -0.187 4.340 4.527 -0.001 0.000 0.297 291 F C 1.758 177.522 175.800 -0.061 0.000 1.113 291 F CA 1.323 59.222 58.000 -0.169 0.000 1.218 291 F CB -0.217 38.583 39.000 -0.334 0.000 0.984 291 F HN -0.040 nan 8.300 nan 0.000 0.472 292 L N -0.141 121.034 121.223 -0.079 0.000 2.141 292 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 292 L C 2.468 179.242 176.870 -0.161 0.000 1.094 292 L CA 1.454 56.198 54.840 -0.160 0.000 0.763 292 L CB -0.747 41.353 42.059 0.068 0.000 0.908 292 L HN 0.254 nan 8.230 nan 0.000 0.437 293 Q N 0.500 120.249 119.800 -0.085 0.000 2.046 293 Q HA -0.248 4.091 4.340 -0.001 0.000 0.200 293 Q C 1.758 177.714 176.000 -0.074 0.000 0.975 293 Q CA 2.036 57.806 55.803 -0.055 0.000 0.836 293 Q CB -0.127 28.601 28.738 -0.016 0.000 0.896 293 Q HN 0.370 nan 8.270 nan 0.000 0.428 294 D N -1.203 119.132 120.400 -0.107 0.000 2.144 294 D HA -0.149 4.490 4.640 -0.001 0.000 0.199 294 D C 1.509 177.777 176.300 -0.054 0.000 0.984 294 D CA 1.127 55.090 54.000 -0.062 0.000 0.834 294 D CB 0.043 40.807 40.800 -0.060 0.000 0.955 294 D HN 0.237 nan 8.370 nan 0.000 0.465 295 M N 0.144 119.561 119.600 -0.305 0.000 2.358 295 M HA -0.052 4.427 4.480 -0.001 0.000 0.264 295 M C 1.951 178.243 176.300 -0.013 0.000 1.064 295 M CA 0.998 56.119 55.300 -0.299 0.000 1.093 295 M CB -0.723 31.527 32.600 -0.583 0.000 1.401 295 M HN 0.115 nan 8.290 nan 0.000 0.440 296 R N -0.539 119.944 120.500 -0.028 0.000 2.193 296 R HA -0.091 4.248 4.340 -0.001 0.000 0.229 296 R C 2.080 178.413 176.300 0.055 0.000 1.110 296 R CA 0.855 56.958 56.100 0.006 0.000 0.988 296 R CB -0.219 30.071 30.300 -0.016 0.000 0.871 296 R HN 0.410 nan 8.270 nan 0.000 0.458 297 R N -0.614 119.947 120.500 0.102 0.000 2.235 297 R HA -0.092 4.247 4.340 -0.001 0.000 0.213 297 R C 0.759 177.003 176.300 -0.093 0.000 1.059 297 R CA 0.912 57.018 56.100 0.010 0.000 0.997 297 R CB 0.103 30.393 30.300 -0.016 0.000 0.884 297 R HN 0.280 nan 8.270 nan 0.000 0.462 298 Y N -0.427 119.846 120.300 -0.045 0.000 2.457 298 Y HA 0.220 4.770 4.550 -0.001 0.000 0.263 298 Y C 0.673 176.568 175.900 -0.010 0.000 1.164 298 Y CA -0.049 58.031 58.100 -0.033 0.000 1.274 298 Y CB 0.064 38.505 38.460 -0.031 0.000 1.097 298 Y HN -0.096 nan 8.280 nan 0.000 0.523 299 M N 0.823 120.485 119.600 0.104 0.000 2.342 299 M HA 0.333 4.812 4.480 -0.001 0.000 0.332 299 M C -2.392 173.928 176.300 0.033 0.000 1.166 299 M CA -1.877 53.476 55.300 0.088 0.000 1.086 299 M CB 0.679 33.321 32.600 0.070 0.000 1.541 299 M HN -0.224 nan 8.290 nan 0.000 0.462 300 P HA 0.008 nan 4.420 nan 0.000 0.265 300 P C -1.946 175.294 177.300 -0.099 0.000 1.193 300 P CA -0.787 62.251 63.100 -0.103 0.000 0.765 300 P CB -0.137 31.390 31.700 -0.290 0.000 0.823 301 P HA -0.312 nan 4.420 nan 0.000 0.216 301 P C 1.080 178.362 177.300 -0.031 0.000 1.154 301 P CA 2.135 65.201 63.100 -0.056 0.000 0.865 301 P CB -0.311 31.348 31.700 -0.068 0.000 0.789 302 A N -0.318 122.418 122.820 -0.140 0.000 1.933 302 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 302 A C 2.141 179.899 177.584 0.290 0.000 1.175 302 A CA 1.595 53.616 52.037 -0.027 0.000 0.628 302 A CB -1.881 16.879 19.000 -0.400 0.000 0.814 302 A HN 0.340 nan 8.150 nan 0.000 0.444 303 H N -0.625 118.525 119.070 0.133 0.000 2.395 303 H HA -0.077 4.478 4.556 -0.001 0.000 0.299 303 H C 2.393 177.792 175.328 0.119 0.000 1.070 303 H CA 1.077 57.228 56.048 0.170 0.000 1.356 303 H CB 0.014 29.809 29.762 0.056 0.000 1.401 303 H HN 0.656 nan 8.280 nan 0.000 0.524 304 R N 0.949 121.559 120.500 0.184 0.000 2.148 304 R HA -0.045 4.295 4.340 -0.001 0.000 0.223 304 R C 1.313 177.674 176.300 0.101 0.000 1.088 304 R CA 1.230 57.389 56.100 0.098 0.000 0.985 304 R CB -0.088 30.242 30.300 0.049 0.000 0.880 304 R HN 0.198 nan 8.270 nan 0.000 0.451 305 N N 0.700 119.498 118.700 0.164 0.000 2.188 305 N HA -0.138 4.601 4.740 -0.001 0.000 0.184 305 N C 1.347 176.932 175.510 0.125 0.000 1.018 305 N CA 1.048 54.212 53.050 0.191 0.000 0.858 305 N CB -0.377 38.292 38.487 0.304 0.000 0.989 305 N HN 0.197 nan 8.380 nan 0.000 0.426 306 F N 2.017 121.891 119.950 -0.126 0.000 2.075 306 F HA -0.046 4.480 4.527 -0.001 0.000 0.297 306 F C 2.077 177.725 175.800 -0.254 0.000 1.113 306 F CA 1.076 58.752 58.000 -0.540 0.000 1.218 306 F CB -0.504 38.300 39.000 -0.326 0.000 0.984 306 F HN -0.082 nan 8.300 nan 0.000 0.472 307 L N 0.240 121.412 121.223 -0.085 0.000 2.043 307 L HA -0.308 4.031 4.340 -0.001 0.000 0.212 307 L C 2.769 179.516 176.870 -0.204 0.000 1.075 307 L CA 1.803 56.532 54.840 -0.186 0.000 0.752 307 L CB -1.183 40.835 42.059 -0.068 0.000 0.891 307 L HN 0.544 nan 8.230 nan 0.000 0.432 308 C N -2.824 116.400 119.300 -0.126 0.000 2.594 308 C HA 0.079 4.539 4.460 -0.001 0.000 0.265 308 C C 3.064 177.969 174.990 -0.140 0.000 1.351 308 C CA -0.038 58.914 59.018 -0.109 0.000 1.744 308 C CB -0.863 26.847 27.740 -0.050 0.000 1.890 308 C HN 0.561 nan 8.230 nan 0.000 0.551 309 S N 1.049 116.633 115.700 -0.193 0.000 2.428 309 S HA 0.016 4.485 4.470 -0.001 0.000 0.230 309 S C 1.792 176.211 174.600 -0.302 0.000 1.014 309 S CA 1.024 59.111 58.200 -0.189 0.000 0.957 309 S CB -0.669 62.448 63.200 -0.138 0.000 0.784 309 S HN 0.737 nan 8.310 nan 0.000 0.499 310 L N 0.907 121.885 121.223 -0.408 0.000 2.109 310 L HA 0.028 4.367 4.340 -0.001 0.000 0.207 310 L C 2.770 179.517 176.870 -0.204 0.000 1.086 310 L CA 1.397 56.025 54.840 -0.353 0.000 0.760 310 L CB -0.501 41.318 42.059 -0.400 0.000 0.910 310 L HN 0.430 nan 8.230 nan 0.000 0.437 311 E N -0.215 119.885 120.200 -0.166 0.000 2.268 311 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 311 E C 1.947 178.488 176.600 -0.098 0.000 0.995 311 E CA 1.364 57.707 56.400 -0.096 0.000 0.836 311 E CB 0.016 29.671 29.700 -0.075 0.000 0.763 311 E HN 0.478 nan 8.360 nan 0.000 0.491 312 S N 0.167 115.784 115.700 -0.139 0.000 2.575 312 S HA 0.077 4.546 4.470 -0.001 0.000 0.215 312 S C 0.634 175.124 174.600 -0.183 0.000 0.966 312 S CA -0.448 57.674 58.200 -0.129 0.000 0.911 312 S CB 0.132 63.267 63.200 -0.108 0.000 0.780 312 S HN 0.010 nan 8.310 nan 0.000 0.514 313 N N 3.506 122.038 118.700 -0.280 0.000 2.493 313 N HA 0.406 5.145 4.740 -0.001 0.000 0.275 313 N C -2.634 172.767 175.510 -0.182 0.000 1.186 313 N CA -1.307 51.485 53.050 -0.430 0.000 0.978 313 N CB 0.609 38.405 38.487 -1.153 0.000 1.184 313 N HN 0.241 nan 8.380 nan 0.000 0.487 314 P HA -0.024 nan 4.420 nan 0.000 0.269 314 P C -0.279 177.102 177.300 0.134 0.000 1.215 314 P CA -0.118 62.985 63.100 0.006 0.000 0.780 314 P CB 0.459 32.148 31.700 -0.018 0.000 0.898 315 S N 1.154 116.919 115.700 0.108 0.000 2.488 315 S HA 0.082 4.552 4.470 -0.001 0.000 0.278 315 S C 1.423 176.126 174.600 0.171 0.000 1.259 315 S CA -0.718 57.566 58.200 0.141 0.000 1.061 315 S CB -0.205 63.048 63.200 0.089 0.000 0.910 315 S HN 0.197 nan 8.310 nan 0.000 0.491 316 V N 6.748 126.778 119.914 0.193 0.000 2.343 316 V HA -0.133 3.986 4.120 -0.001 0.000 0.247 316 V C 2.660 178.815 176.094 0.102 0.000 1.051 316 V CA 2.232 64.645 62.300 0.188 0.000 1.036 316 V CB -0.837 31.081 31.823 0.159 0.000 0.654 316 V HN 0.903 nan 8.190 nan 0.000 0.451 317 R N -0.006 120.512 120.500 0.030 0.000 2.080 317 R HA -0.181 4.158 4.340 -0.001 0.000 0.236 317 R C 2.383 178.593 176.300 -0.150 0.000 1.137 317 R CA 1.763 57.732 56.100 -0.219 0.000 0.943 317 R CB -0.188 30.061 30.300 -0.085 0.000 0.846 317 R HN 0.449 nan 8.270 nan 0.000 0.431 318 E N 0.083 120.277 120.200 -0.010 0.000 2.077 318 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 318 E C 1.696 178.341 176.600 0.075 0.000 0.989 318 E CA 0.959 57.370 56.400 0.019 0.000 0.800 318 E CB -0.489 29.241 29.700 0.051 0.000 0.746 318 E HN 0.299 nan 8.360 nan 0.000 0.452 319 F N 1.638 121.557 119.950 -0.052 0.000 2.069 319 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 319 F C 2.280 178.039 175.800 -0.068 0.000 1.113 319 F CA 1.010 58.987 58.000 -0.038 0.000 1.214 319 F CB -0.672 38.323 39.000 -0.009 0.000 0.978 319 F HN -0.196 nan 8.300 nan 0.000 0.474 320 V N 0.629 120.415 119.914 -0.215 0.000 2.469 320 V HA -0.302 3.817 4.120 -0.001 0.000 0.251 320 V C 2.615 178.545 176.094 -0.273 0.000 1.064 320 V CA 1.839 63.931 62.300 -0.348 0.000 1.066 320 V CB -0.705 30.917 31.823 -0.334 0.000 0.667 320 V HN 0.391 nan 8.190 nan 0.000 0.461 321 L N 0.539 121.635 121.223 -0.211 0.000 2.072 321 L HA -0.094 4.245 4.340 -0.001 0.000 0.205 321 L C 2.458 179.265 176.870 -0.104 0.000 1.079 321 L CA 1.714 56.465 54.840 -0.148 0.000 0.752 321 L CB -0.472 41.517 42.059 -0.118 0.000 0.906 321 L HN 0.552 nan 8.230 nan 0.000 0.436 322 S N -1.212 114.442 115.700 -0.078 0.000 2.727 322 S HA -0.034 4.435 4.470 -0.001 0.000 0.226 322 S C 1.410 175.969 174.600 -0.069 0.000 0.963 322 S CA 0.349 58.524 58.200 -0.041 0.000 0.950 322 S CB -0.136 63.080 63.200 0.025 0.000 0.779 322 S HN 0.315 nan 8.310 nan 0.000 0.532 323 K N 0.148 120.469 120.400 -0.132 0.000 2.412 323 K HA 0.252 4.571 4.320 -0.001 0.000 0.202 323 K C 1.159 177.698 176.600 -0.100 0.000 1.102 323 K CA 0.536 56.740 56.287 -0.139 0.000 1.027 323 K CB 0.195 32.539 32.500 -0.260 0.000 0.931 323 K HN 0.484 nan 8.250 nan 0.000 0.557 324 G N 3.345 112.093 108.800 -0.087 0.000 2.323 324 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.292 324 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.292 324 G C -0.526 174.335 174.900 -0.065 0.000 1.040 324 G CA 0.671 45.733 45.100 -0.063 0.000 0.942 324 G HN 0.294 nan 8.290 nan 0.000 0.506 325 D N -0.264 120.085 120.400 -0.085 0.000 2.446 325 D HA 0.643 5.282 4.640 -0.001 0.000 0.251 325 D C 1.324 177.586 176.300 -0.064 0.000 1.137 325 D CA 0.234 54.187 54.000 -0.078 0.000 0.890 325 D CB 0.730 41.464 40.800 -0.109 0.000 1.071 325 D HN 0.292 nan 8.370 nan 0.000 0.528 326 A N 3.173 125.967 122.820 -0.043 0.000 1.908 326 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 326 A C 2.035 179.604 177.584 -0.024 0.000 1.181 326 A CA 1.996 54.015 52.037 -0.029 0.000 0.627 326 A CB -0.801 18.187 19.000 -0.020 0.000 0.818 326 A HN 0.601 nan 8.150 nan 0.000 0.445 327 G N -0.084 108.700 108.800 -0.027 0.000 2.491 327 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 327 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 327 G C 1.574 176.463 174.900 -0.019 0.000 1.180 327 G CA 1.187 46.274 45.100 -0.021 0.000 0.774 327 G HN 0.447 nan 8.290 nan 0.000 0.562 328 L N -0.334 120.865 121.223 -0.040 0.000 2.017 328 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 328 L C 3.241 180.111 176.870 -0.001 0.000 1.073 328 L CA 1.102 55.917 54.840 -0.042 0.000 0.745 328 L CB -0.377 41.609 42.059 -0.121 0.000 0.894 328 L HN 0.177 nan 8.230 nan 0.000 0.432 329 R N 0.029 120.517 120.500 -0.020 0.000 2.091 329 R HA -0.205 4.134 4.340 -0.001 0.000 0.238 329 R C 2.136 178.487 176.300 0.085 0.000 1.136 329 R CA 1.624 57.735 56.100 0.019 0.000 0.959 329 R CB -0.284 30.008 30.300 -0.014 0.000 0.856 329 R HN 0.477 nan 8.270 nan 0.000 0.437 330 E N 0.133 120.358 120.200 0.042 0.000 2.107 330 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 330 E C 1.971 178.590 176.600 0.033 0.000 0.982 330 E CA 0.993 57.414 56.400 0.034 0.000 0.809 330 E CB -0.017 29.689 29.700 0.010 0.000 0.756 330 E HN 0.346 nan 8.360 nan 0.000 0.459 331 A N 0.487 123.329 122.820 0.036 0.000 1.930 331 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 331 A C 1.994 179.599 177.584 0.036 0.000 1.175 331 A CA 1.146 53.196 52.037 0.021 0.000 0.627 331 A CB -0.638 18.374 19.000 0.019 0.000 0.815 331 A HN 0.421 nan 8.150 nan 0.000 0.443 332 Y N 1.002 121.282 120.300 -0.033 0.000 2.163 332 Y HA -0.195 4.354 4.550 -0.001 0.000 0.288 332 Y C 1.772 177.658 175.900 -0.023 0.000 1.136 332 Y CA 2.055 60.140 58.100 -0.026 0.000 1.147 332 Y CB -0.232 38.214 38.460 -0.023 0.000 0.987 332 Y HN 0.326 nan 8.280 nan 0.000 0.509 333 D N 0.158 120.586 120.400 0.047 0.000 2.178 333 D HA -0.146 4.493 4.640 -0.001 0.000 0.201 333 D C 2.248 178.479 176.300 -0.114 0.000 0.980 333 D CA 1.341 55.319 54.000 -0.037 0.000 0.842 333 D CB -0.473 40.364 40.800 0.062 0.000 0.948 333 D HN 0.495 nan 8.370 nan 0.000 0.472 334 A N -0.049 122.717 122.820 -0.090 0.000 1.933 334 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 334 A C 2.476 179.970 177.584 -0.149 0.000 1.175 334 A CA 1.277 53.257 52.037 -0.096 0.000 0.628 334 A CB -0.930 18.027 19.000 -0.072 0.000 0.814 334 A HN 0.360 nan 8.150 nan 0.000 0.444 335 C N -1.389 117.786 119.300 -0.209 0.000 2.432 335 C HA -0.066 4.393 4.460 -0.001 0.000 0.277 335 C C 2.753 177.586 174.990 -0.261 0.000 1.249 335 C CA 1.094 59.958 59.018 -0.256 0.000 1.725 335 C CB -1.238 26.326 27.740 -0.293 0.000 2.028 335 C HN 0.465 nan 8.230 nan 0.000 0.477 336 V N 0.954 120.678 119.914 -0.316 0.000 2.295 336 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 336 V C 2.665 178.684 176.094 -0.126 0.000 1.049 336 V CA 1.698 63.862 62.300 -0.228 0.000 1.024 336 V CB -0.645 31.028 31.823 -0.249 0.000 0.648 336 V HN 0.479 nan 8.190 nan 0.000 0.447 337 K N 0.112 120.444 120.400 -0.113 0.000 2.103 337 K HA -0.174 4.146 4.320 -0.001 0.000 0.207 337 K C 2.240 178.801 176.600 -0.065 0.000 1.048 337 K CA 1.655 57.901 56.287 -0.069 0.000 0.930 337 K CB -0.477 31.987 32.500 -0.059 0.000 0.716 337 K HN 0.479 nan 8.250 nan 0.000 0.444 338 A N 1.102 123.864 122.820 -0.097 0.000 1.930 338 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 338 A C 2.270 179.813 177.584 -0.068 0.000 1.175 338 A CA 1.060 53.038 52.037 -0.098 0.000 0.627 338 A CB -0.456 18.453 19.000 -0.152 0.000 0.815 338 A HN 0.225 nan 8.150 nan 0.000 0.443 339 L N -0.201 120.977 121.223 -0.075 0.000 2.056 339 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 339 L C 2.728 179.621 176.870 0.039 0.000 1.078 339 L CA 1.517 56.355 54.840 -0.004 0.000 0.749 339 L CB -0.569 41.488 42.059 -0.003 0.000 0.901 339 L HN 0.453 nan 8.230 nan 0.000 0.433 340 V N -3.319 116.601 119.914 0.009 0.000 2.515 340 V HA -0.188 3.931 4.120 -0.001 0.000 0.250 340 V C 2.373 178.486 176.094 0.032 0.000 1.058 340 V CA 2.040 64.352 62.300 0.020 0.000 1.064 340 V CB -0.087 31.740 31.823 0.006 0.000 0.675 340 V HN 0.335 nan 8.190 nan 0.000 0.461 341 S N 0.691 116.403 115.700 0.021 0.000 2.368 341 S HA -0.052 4.418 4.470 -0.001 0.000 0.225 341 S C 1.817 176.453 174.600 0.059 0.000 1.030 341 S CA 2.111 60.330 58.200 0.031 0.000 0.999 341 S CB -0.523 62.679 63.200 0.003 0.000 0.844 341 S HN 0.637 nan 8.310 nan 0.000 0.459 342 L N 0.878 122.142 121.223 0.069 0.000 2.046 342 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 342 L C 2.696 179.629 176.870 0.104 0.000 1.077 342 L CA 1.292 56.199 54.840 0.111 0.000 0.747 342 L CB -0.378 41.838 42.059 0.262 0.000 0.896 342 L HN 0.208 nan 8.230 nan 0.000 0.432 343 R N -0.962 119.598 120.500 0.100 0.000 2.115 343 R HA -0.081 4.258 4.340 -0.001 0.000 0.230 343 R C 2.456 178.806 176.300 0.083 0.000 1.111 343 R CA 1.297 57.442 56.100 0.075 0.000 0.976 343 R CB -0.271 30.055 30.300 0.043 0.000 0.870 343 R HN 0.248 nan 8.270 nan 0.000 0.445 344 S N 0.088 115.828 115.700 0.066 0.000 2.383 344 S HA -0.144 4.325 4.470 -0.001 0.000 0.227 344 S C 1.507 176.131 174.600 0.039 0.000 1.026 344 S CA 0.898 59.126 58.200 0.048 0.000 0.981 344 S CB -0.239 62.989 63.200 0.047 0.000 0.818 344 S HN 0.361 nan 8.310 nan 0.000 0.472 345 Y N 1.702 121.954 120.300 -0.081 0.000 2.200 345 Y HA -0.129 4.420 4.550 -0.001 0.000 0.290 345 Y C 2.468 178.244 175.900 -0.207 0.000 1.137 345 Y CA 1.789 59.798 58.100 -0.152 0.000 1.163 345 Y CB -0.472 37.848 38.460 -0.234 0.000 0.988 345 Y HN 0.407 nan 8.280 nan 0.000 0.518 346 H N 0.057 118.964 119.070 -0.273 0.000 2.421 346 H HA -0.136 4.419 4.556 -0.001 0.000 0.298 346 H C 2.036 177.284 175.328 -0.133 0.000 1.087 346 H CA 1.745 57.650 56.048 -0.238 0.000 1.330 346 H CB -0.123 29.592 29.762 -0.078 0.000 1.388 346 H HN 0.421 nan 8.280 nan 0.000 0.526 347 L N 0.444 121.626 121.223 -0.069 0.000 2.046 347 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 347 L C 2.868 179.650 176.870 -0.146 0.000 1.077 347 L CA 1.287 56.082 54.840 -0.076 0.000 0.747 347 L CB -0.357 41.689 42.059 -0.022 0.000 0.896 347 L HN 0.328 nan 8.230 nan 0.000 0.432 348 Q N -0.206 119.475 119.800 -0.199 0.000 2.135 348 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 348 Q C 2.287 178.171 176.000 -0.193 0.000 0.981 348 Q CA 1.436 57.115 55.803 -0.207 0.000 0.856 348 Q CB -0.096 28.467 28.738 -0.292 0.000 0.902 348 Q HN 0.547 nan 8.270 nan 0.000 0.425 349 I N -0.069 120.327 120.570 -0.291 0.000 2.252 349 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 349 I C 2.128 178.192 176.117 -0.087 0.000 1.102 349 I CA 0.826 62.014 61.300 -0.186 0.000 1.385 349 I CB -0.124 37.686 38.000 -0.316 0.000 1.064 349 I HN 0.054 nan 8.210 nan 0.000 0.414 350 V N 0.403 120.195 119.914 -0.204 0.000 2.407 350 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 350 V C 2.452 178.533 176.094 -0.022 0.000 1.055 350 V CA 2.244 64.482 62.300 -0.103 0.000 1.049 350 V CB -0.886 30.869 31.823 -0.113 0.000 0.662 350 V HN 0.466 nan 8.190 nan 0.000 0.455 351 T N -0.406 114.118 114.554 -0.051 0.000 2.708 351 T HA -0.245 4.104 4.350 -0.001 0.000 0.266 351 T C 1.972 176.638 174.700 -0.057 0.000 1.037 351 T CA 1.993 64.063 62.100 -0.050 0.000 1.146 351 T CB -0.161 68.668 68.868 -0.065 0.000 0.865 351 T HN 0.513 nan 8.240 nan 0.000 0.435 352 K N -0.358 120.019 120.400 -0.039 0.000 2.103 352 K HA -0.048 4.271 4.320 -0.001 0.000 0.204 352 K C 1.567 178.056 176.600 -0.185 0.000 1.052 352 K CA 1.171 57.395 56.287 -0.104 0.000 0.945 352 K CB -0.102 32.356 32.500 -0.070 0.000 0.722 352 K HN 0.364 nan 8.250 nan 0.000 0.443 353 Y N -0.202 120.043 120.300 -0.091 0.000 2.482 353 Y HA 0.196 4.745 4.550 -0.001 0.000 0.270 353 Y C 1.555 177.521 175.900 0.110 0.000 1.152 353 Y CA 0.209 58.282 58.100 -0.044 0.000 1.292 353 Y CB 0.508 38.801 38.460 -0.277 0.000 1.070 353 Y HN 0.029 nan 8.280 nan 0.000 0.528 354 I N -2.461 118.196 120.570 0.146 0.000 3.746 354 I HA -0.092 4.077 4.170 -0.001 0.000 0.262 354 I C 1.653 177.702 176.117 -0.114 0.000 1.153 354 I CA 0.207 61.590 61.300 0.139 0.000 1.395 354 I CB -0.040 38.111 38.000 0.251 0.000 1.589 354 I HN -0.052 nan 8.210 nan 0.000 0.441 355 L N 1.353 122.534 121.223 -0.070 0.000 1.989 355 L HA -0.233 4.106 4.340 -0.001 0.000 0.211 355 L C 2.539 179.300 176.870 -0.181 0.000 1.071 355 L CA 1.887 56.663 54.840 -0.106 0.000 0.749 355 L CB -0.477 41.543 42.059 -0.066 0.000 0.890 355 L HN 0.246 nan 8.230 nan 0.000 0.431 356 I N -0.418 120.044 120.570 -0.180 0.000 2.179 356 I HA -0.193 3.977 4.170 -0.001 0.000 0.242 356 I C -0.287 175.661 176.117 -0.280 0.000 1.088 356 I CA 1.399 62.583 61.300 -0.193 0.000 1.357 356 I CB -1.405 36.498 38.000 -0.162 0.000 1.051 356 I HN 0.188 nan 8.210 nan 0.000 0.409 357 P HA -0.132 nan 4.420 nan 0.000 0.218 357 P C 1.344 178.156 177.300 -0.813 0.000 1.149 357 P CA 1.530 64.305 63.100 -0.541 0.000 0.817 357 P CB 0.001 31.356 31.700 -0.574 0.000 0.785 358 A N -0.084 122.122 122.820 -1.023 0.000 2.119 358 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 358 A C 2.075 179.499 177.584 -0.266 0.000 1.153 358 A CA 1.624 53.248 52.037 -0.688 0.000 0.692 358 A CB -1.347 17.428 19.000 -0.375 0.000 0.799 358 A HN 0.311 nan 8.150 nan 0.000 0.458 359 S N -0.698 114.858 115.700 -0.240 0.000 2.650 359 S HA 0.161 4.630 4.470 -0.001 0.000 0.219 359 S C 0.522 175.055 174.600 -0.111 0.000 0.960 359 S CA 0.107 58.225 58.200 -0.137 0.000 0.925 359 S CB -0.403 62.725 63.200 -0.120 0.000 0.775 359 S HN 0.761 nan 8.310 nan 0.000 0.525 381 G N 0.829 109.631 108.800 0.003 0.000 3.295 381 G HA2 0.366 4.325 3.960 -0.001 0.000 0.231 381 G HA3 0.366 4.325 3.960 -0.001 0.000 0.231 381 G C 0.902 175.809 174.900 0.012 0.000 1.277 381 G CA 1.555 46.663 45.100 0.013 0.000 1.013 381 G HN 0.467 nan 8.290 nan 0.000 0.509 382 T N -0.002 114.552 114.554 0.000 0.000 3.037 382 T HA 0.017 4.366 4.350 -0.001 0.000 0.251 382 T C 1.761 176.465 174.700 0.006 0.000 1.079 382 T CA 0.349 62.450 62.100 0.003 0.000 1.067 382 T CB 0.076 68.940 68.868 -0.006 0.000 0.948 382 T HN 0.177 nan 8.240 nan 0.000 0.496 383 D N 1.608 122.001 120.400 -0.012 0.000 2.182 383 D HA -0.054 4.585 4.640 -0.001 0.000 0.201 383 D C 1.910 178.231 176.300 0.034 0.000 0.986 383 D CA 0.457 54.437 54.000 -0.032 0.000 0.847 383 D CB -0.262 40.483 40.800 -0.092 0.000 0.942 383 D HN 0.225 nan 8.370 nan 0.000 0.467 384 L N 0.183 121.431 121.223 0.043 0.000 1.988 384 L HA -0.114 4.225 4.340 -0.001 0.000 0.207 384 L C 1.992 178.957 176.870 0.158 0.000 1.071 384 L CA 1.618 56.516 54.840 0.098 0.000 0.744 384 L CB -0.554 41.547 42.059 0.069 0.000 0.893 384 L HN -0.079 nan 8.230 nan 0.000 0.433 385 M N -0.246 119.410 119.600 0.093 0.000 2.159 385 M HA -0.172 4.307 4.480 -0.001 0.000 0.263 385 M C 2.026 178.369 176.300 0.072 0.000 1.063 385 M CA 1.287 56.632 55.300 0.075 0.000 1.110 385 M CB -1.561 31.060 32.600 0.035 0.000 1.374 385 M HN 0.395 nan 8.290 nan 0.000 0.411 386 N N 0.088 118.831 118.700 0.071 0.000 2.188 386 N HA -0.127 4.612 4.740 -0.001 0.000 0.184 386 N C 1.576 177.138 175.510 0.086 0.000 1.018 386 N CA 0.942 54.025 53.050 0.056 0.000 0.858 386 N CB -0.554 37.954 38.487 0.035 0.000 0.989 386 N HN 0.330 nan 8.380 nan 0.000 0.426 387 F N 1.961 121.927 119.950 0.027 0.000 2.075 387 F HA -0.071 4.455 4.527 -0.001 0.000 0.297 387 F C 2.033 177.874 175.800 0.068 0.000 1.113 387 F CA 1.181 59.222 58.000 0.068 0.000 1.218 387 F CB -0.507 38.529 39.000 0.059 0.000 0.984 387 F HN -0.085 nan 8.300 nan 0.000 0.472 388 L N 0.191 121.357 121.223 -0.095 0.000 2.083 388 L HA -0.220 4.119 4.340 -0.001 0.000 0.209 388 L C 2.455 179.235 176.870 -0.150 0.000 1.083 388 L CA 1.612 56.354 54.840 -0.163 0.000 0.752 388 L CB -0.706 41.417 42.059 0.107 0.000 0.899 388 L HN 0.136 nan 8.230 nan 0.000 0.433 389 K N -0.740 119.615 120.400 -0.075 0.000 2.103 389 K HA -0.081 4.239 4.320 -0.001 0.000 0.204 389 K C 2.090 178.644 176.600 -0.076 0.000 1.052 389 K CA 1.511 57.767 56.287 -0.051 0.000 0.945 389 K CB -0.176 32.313 32.500 -0.017 0.000 0.722 389 K HN 0.234 nan 8.250 nan 0.000 0.443 390 T N 1.108 115.600 114.554 -0.104 0.000 2.746 390 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 390 T C 1.994 176.620 174.700 -0.123 0.000 1.039 390 T CA 1.177 63.225 62.100 -0.086 0.000 1.142 390 T CB -0.144 68.688 68.868 -0.059 0.000 0.866 390 T HN -0.056 nan 8.240 nan 0.000 0.444 391 V N 1.399 121.166 119.914 -0.246 0.000 2.427 391 V HA -0.129 3.991 4.120 -0.001 0.000 0.248 391 V C 2.571 178.603 176.094 -0.102 0.000 1.051 391 V CA 1.680 63.853 62.300 -0.212 0.000 1.048 391 V CB -0.593 31.011 31.823 -0.365 0.000 0.666 391 V HN 0.366 nan 8.190 nan 0.000 0.456 392 R N 0.067 120.513 120.500 -0.090 0.000 2.090 392 R HA -0.142 4.197 4.340 -0.001 0.000 0.228 392 R C 2.568 178.856 176.300 -0.020 0.000 1.110 392 R CA 1.667 57.745 56.100 -0.036 0.000 0.973 392 R CB -0.373 29.914 30.300 -0.022 0.000 0.869 392 R HN 0.478 nan 8.270 nan 0.000 0.440 393 S N -0.627 115.058 115.700 -0.026 0.000 2.383 393 S HA -0.097 4.372 4.470 -0.001 0.000 0.227 393 S C 1.619 176.218 174.600 -0.001 0.000 1.026 393 S CA 1.785 59.979 58.200 -0.010 0.000 0.981 393 S CB -0.216 62.978 63.200 -0.010 0.000 0.818 393 S HN 0.485 nan 8.310 nan 0.000 0.472 394 T N 1.323 115.873 114.554 -0.006 0.000 2.867 394 T HA -0.042 4.307 4.350 -0.001 0.000 0.268 394 T C 1.815 176.527 174.700 0.019 0.000 1.057 394 T CA 1.762 63.868 62.100 0.009 0.000 1.136 394 T CB -0.663 68.208 68.868 0.006 0.000 0.874 394 T HN 0.525 nan 8.240 nan 0.000 0.466 395 T N 1.782 116.343 114.554 0.012 0.000 2.770 395 T HA -0.037 4.312 4.350 -0.001 0.000 0.263 395 T C 1.919 176.629 174.700 0.018 0.000 1.039 395 T CA 0.927 63.038 62.100 0.019 0.000 1.142 395 T CB -0.181 68.697 68.868 0.016 0.000 0.868 395 T HN 0.472 nan 8.240 nan 0.000 0.435 396 E N 0.999 121.207 120.200 0.013 0.000 2.085 396 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 396 E C 2.240 178.855 176.600 0.025 0.000 0.994 396 E CA 0.943 57.351 56.400 0.014 0.000 0.801 396 E CB -0.068 29.638 29.700 0.010 0.000 0.743 396 E HN 0.402 nan 8.360 nan 0.000 0.453 397 K N 0.205 120.622 120.400 0.027 0.000 2.281 397 K HA -0.070 4.250 4.320 -0.001 0.000 0.203 397 K C 1.970 178.602 176.600 0.053 0.000 1.046 397 K CA 0.917 57.224 56.287 0.034 0.000 0.938 397 K CB 0.064 32.581 32.500 0.030 0.000 0.737 397 K HN -0.061 nan 8.250 nan 0.000 0.458 398 S N 0.844 116.584 115.700 0.067 0.000 2.561 398 S HA 0.053 4.522 4.470 -0.001 0.000 0.225 398 S C 0.561 175.261 174.600 0.166 0.000 0.977 398 S CA 0.126 58.396 58.200 0.117 0.000 0.926 398 S CB -0.062 63.217 63.200 0.132 0.000 0.769 398 S HN 0.191 nan 8.310 nan 0.000 0.533 399 L N 1.895 123.183 121.223 0.109 0.000 2.525 399 L HA 0.054 4.393 4.340 -0.001 0.000 0.278 399 L C 1.215 178.157 176.870 0.119 0.000 1.218 399 L CA -0.126 54.784 54.840 0.118 0.000 0.878 399 L CB 0.410 42.504 42.059 0.058 0.000 1.127 399 L HN 0.239 nan 8.230 nan 0.000 0.492 400 L N 2.748 124.057 121.223 0.143 0.000 2.130 400 L HA 0.011 4.350 4.340 -0.001 0.000 0.200 400 L C 1.571 178.464 176.870 0.040 0.000 1.075 400 L CA 0.706 55.588 54.840 0.070 0.000 0.768 400 L CB -0.391 41.690 42.059 0.036 0.000 0.933 400 L HN 0.550 nan 8.230 nan 0.000 0.451 401 K N 0.626 121.052 120.400 0.044 0.000 2.551 401 K HA 0.021 4.340 4.320 -0.001 0.000 0.204 401 K C 1.425 178.037 176.600 0.020 0.000 1.033 401 K CA 0.176 56.477 56.287 0.024 0.000 1.187 401 K CB 0.225 32.738 32.500 0.021 0.000 0.900 401 K HN 0.179 nan 8.250 nan 0.000 0.499 402 E N 0.972 121.186 120.200 0.024 0.000 2.107 402 E HA -0.055 4.294 4.350 -0.001 0.000 0.191 402 E C 0.807 177.415 176.600 0.012 0.000 0.982 402 E CA 0.474 56.885 56.400 0.018 0.000 0.809 402 E CB 0.191 29.904 29.700 0.021 0.000 0.756 402 E HN 0.297 nan 8.360 nan 0.000 0.459 403 G N 0.000 108.807 108.800 0.011 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 45.104 45.100 0.007 0.000 0.502 403 G HN 0.000 nan 8.290 nan 0.000 0.925