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 2zsh_1_A DATA FIRST_RESID 6 DATA SEQUENCE EVNLIESRTV VPLNTWVLIS NFKVAYNILR RPDGTFNRHL AEYLDRKVTA DATA SEQUENCE NANPVDGVFS FDVLIDRRIN LLSRVYRPAY ADQEQPPSIL DLEKPVDGDI DATA SEQUENCE VPVILFFHGG SFAHSSANSA IYDTLCRRLV GLCKCVVVSV NYRRAPENPY DATA SEQUENCE PCAYDDGWIA LNWVNSRSWL KSKKDSKVHI FLAGDSSGGN IAHNVALRAG DATA SEQUENCE ESGIDVLGNI LLNPMFGGNE RTESEKSLDG KYFVTVRDRD WYWKAFLPEG DATA SEQUENCE EDREHPACNP FSPRGKSLEG VSFPKSLVVV AGLDLIRDWQ LAYAEGLKKA DATA SEQUENCE GQEVKLMHLE KATVGFYLLP NNNHFHNVMD EISAFVNA 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.605 176.600 0.008 0.000 1.382 6 E CA 0.000 56.405 56.400 0.008 0.000 0.976 6 E CB 0.000 29.707 29.700 0.011 0.000 0.812 7 V N 3.026 122.948 119.914 0.014 0.000 2.540 7 V HA 0.374 4.493 4.120 -0.000 0.000 0.297 7 V C -0.130 175.975 176.094 0.019 0.000 1.024 7 V CA 0.833 63.146 62.300 0.020 0.000 1.105 7 V CB 0.418 32.260 31.823 0.032 0.000 0.938 7 V HN 0.403 nan 8.190 nan 0.000 0.482 8 N N 4.758 123.467 118.700 0.015 0.000 2.599 8 N HA 0.325 5.065 4.740 -0.000 0.000 0.283 8 N C -0.389 175.128 175.510 0.012 0.000 1.160 8 N CA -0.512 52.542 53.050 0.007 0.000 0.869 8 N CB 1.383 39.864 38.487 -0.010 0.000 1.448 8 N HN 0.458 nan 8.380 nan 0.000 0.535 9 L N 3.854 125.105 121.223 0.047 0.000 2.700 9 L HA 0.353 4.693 4.340 -0.000 0.000 0.234 9 L C 1.693 178.568 176.870 0.009 0.000 1.156 9 L CA -0.063 54.839 54.840 0.103 0.000 0.946 9 L CB -0.027 42.244 42.059 0.354 0.000 1.216 9 L HN 0.553 nan 8.230 nan 0.000 0.493 10 I N 0.327 120.865 120.570 -0.054 0.000 2.208 10 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 10 I C 2.350 178.423 176.117 -0.072 0.000 1.097 10 I CA 1.511 62.752 61.300 -0.098 0.000 1.363 10 I CB -0.086 37.869 38.000 -0.074 0.000 1.051 10 I HN 0.402 nan 8.210 nan 0.000 0.413 11 E N 0.664 120.831 120.200 -0.055 0.000 2.058 11 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 11 E C 2.274 178.887 176.600 0.021 0.000 0.997 11 E CA 1.976 58.350 56.400 -0.042 0.000 0.801 11 E CB -0.145 29.483 29.700 -0.119 0.000 0.746 11 E HN 0.569 nan 8.360 nan 0.000 0.450 12 S N 0.738 116.434 115.700 -0.008 0.000 2.447 12 S HA -0.071 4.398 4.470 -0.000 0.000 0.233 12 S C 1.800 176.572 174.600 0.287 0.000 1.006 12 S CA 0.485 58.775 58.200 0.149 0.000 0.957 12 S CB -0.172 63.014 63.200 -0.023 0.000 0.773 12 S HN 0.163 nan 8.310 nan 0.000 0.507 13 R N 1.239 121.757 120.500 0.030 0.000 2.189 13 R HA -0.013 4.326 4.340 -0.000 0.000 0.218 13 R C 2.510 178.797 176.300 -0.021 0.000 1.074 13 R CA 1.491 57.471 56.100 -0.200 0.000 0.991 13 R CB -0.821 29.151 30.300 -0.546 0.000 0.883 13 R HN 0.798 nan 8.270 nan 0.000 0.457 14 T N -1.527 113.048 114.554 0.034 0.000 2.995 14 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 14 T C 1.876 176.631 174.700 0.091 0.000 1.091 14 T CA 1.052 63.181 62.100 0.048 0.000 1.128 14 T CB -0.143 68.755 68.868 0.051 0.000 0.891 14 T HN 0.173 nan 8.240 nan 0.000 0.492 15 V N -0.405 119.600 119.914 0.151 0.000 3.650 15 V HA 0.493 4.613 4.120 -0.000 0.000 0.271 15 V C 0.653 176.849 176.094 0.170 0.000 1.281 15 V CA -0.072 62.309 62.300 0.135 0.000 1.120 15 V CB -0.565 31.307 31.823 0.081 0.000 0.856 15 V HN 0.555 nan 8.190 nan 0.000 0.443 16 V N -4.311 115.737 119.914 0.223 0.000 3.078 16 V HA 0.774 4.894 4.120 -0.000 0.000 0.311 16 V C -3.038 173.173 176.094 0.196 0.000 1.138 16 V CA -2.587 59.859 62.300 0.244 0.000 1.007 16 V CB 1.231 33.274 31.823 0.367 0.000 1.045 16 V HN 0.087 nan 8.190 nan 0.000 0.432 17 P HA 0.203 nan 4.420 nan 0.000 0.269 17 P C 0.613 177.999 177.300 0.143 0.000 1.215 17 P CA -0.232 62.931 63.100 0.105 0.000 0.780 17 P CB 0.629 32.371 31.700 0.071 0.000 0.898 18 L N 3.126 124.407 121.223 0.095 0.000 2.083 18 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 18 L C 1.758 178.721 176.870 0.156 0.000 1.083 18 L CA 2.054 56.962 54.840 0.114 0.000 0.752 18 L CB -1.143 40.934 42.059 0.030 0.000 0.899 18 L HN 0.419 nan 8.230 nan 0.000 0.433 19 N N -2.514 116.235 118.700 0.082 0.000 2.244 19 N HA -0.140 4.599 4.740 -0.000 0.000 0.183 19 N C 1.517 177.043 175.510 0.027 0.000 1.016 19 N CA 1.796 54.871 53.050 0.042 0.000 0.866 19 N CB -1.281 37.203 38.487 -0.004 0.000 0.980 19 N HN 0.257 nan 8.380 nan 0.000 0.430 20 T N -0.292 114.291 114.554 0.049 0.000 2.777 20 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 20 T C 1.203 175.906 174.700 0.005 0.000 1.040 20 T CA 1.052 63.154 62.100 0.002 0.000 1.141 20 T CB -0.463 68.433 68.868 0.046 0.000 0.868 20 T HN 0.425 nan 8.240 nan 0.000 0.444 21 W N 1.463 122.761 121.300 -0.003 0.000 2.358 21 W HA -0.152 4.508 4.660 0.000 0.000 0.303 21 W C 2.096 178.591 176.519 -0.040 0.000 1.208 21 W CA 0.682 58.068 57.345 0.069 0.000 1.274 21 W CB -0.481 29.072 29.460 0.154 0.000 1.138 21 W HN -0.058 nan 8.180 nan 0.000 0.515 22 V N 0.747 120.784 119.914 0.206 0.000 2.343 22 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 22 V C 2.177 178.119 176.094 -0.253 0.000 1.051 22 V CA 1.873 64.190 62.300 0.028 0.000 1.036 22 V CB -1.166 30.704 31.823 0.078 0.000 0.654 22 V HN 0.280 nan 8.190 nan 0.000 0.451 23 L N -0.171 120.894 121.223 -0.263 0.000 1.994 23 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 23 L C 2.236 178.809 176.870 -0.496 0.000 1.071 23 L CA 2.116 56.719 54.840 -0.394 0.000 0.745 23 L CB -0.506 41.392 42.059 -0.269 0.000 0.892 23 L HN 0.156 nan 8.230 nan 0.000 0.431 24 I N -0.853 119.413 120.570 -0.506 0.000 2.315 24 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 24 I C 2.487 178.189 176.117 -0.691 0.000 1.117 24 I CA 1.233 62.152 61.300 -0.636 0.000 1.404 24 I CB -1.605 35.660 38.000 -1.225 0.000 1.071 24 I HN 0.257 nan 8.210 nan 0.000 0.419 25 S N 1.034 116.258 115.700 -0.794 0.000 2.402 25 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 25 S C 1.793 176.123 174.600 -0.451 0.000 1.021 25 S CA 1.381 59.184 58.200 -0.662 0.000 0.974 25 S CB -0.391 62.136 63.200 -1.122 0.000 0.800 25 S HN 0.474 nan 8.310 nan 0.000 0.484 26 N N 0.880 119.296 118.700 -0.472 0.000 2.142 26 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 26 N C 1.304 176.547 175.510 -0.445 0.000 1.023 26 N CA 1.310 54.105 53.050 -0.424 0.000 0.852 26 N CB -0.336 37.853 38.487 -0.497 0.000 0.998 26 N HN 0.247 nan 8.380 nan 0.000 0.424 27 F N 1.340 120.985 119.950 -0.509 0.000 2.102 27 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 27 F C 2.377 177.645 175.800 -0.886 0.000 1.105 27 F CA 1.055 58.544 58.000 -0.853 0.000 1.239 27 F CB -0.737 37.675 39.000 -0.980 0.000 0.991 27 F HN 0.088 nan 8.300 nan 0.000 0.474 28 K N 0.845 121.020 120.400 -0.375 0.000 2.020 28 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 28 K C 2.111 178.640 176.600 -0.119 0.000 1.050 28 K CA 2.370 58.529 56.287 -0.213 0.000 0.929 28 K CB -0.400 32.025 32.500 -0.126 0.000 0.714 28 K HN 0.250 nan 8.250 nan 0.000 0.443 29 V N -1.646 118.190 119.914 -0.131 0.000 2.358 29 V HA -0.080 4.040 4.120 -0.000 0.000 0.246 29 V C 2.315 178.399 176.094 -0.017 0.000 1.047 29 V CA 1.658 63.921 62.300 -0.062 0.000 1.035 29 V CB -1.191 30.591 31.823 -0.069 0.000 0.658 29 V HN 0.347 nan 8.190 nan 0.000 0.452 30 A N -0.493 122.310 122.820 -0.028 0.000 1.902 30 A HA -0.142 4.177 4.320 -0.000 0.000 0.217 30 A C 2.138 179.869 177.584 0.245 0.000 1.181 30 A CA 1.998 54.088 52.037 0.088 0.000 0.623 30 A CB -0.952 18.114 19.000 0.111 0.000 0.818 30 A HN 0.625 nan 8.150 nan 0.000 0.443 31 Y N 0.814 121.123 120.300 0.016 0.000 2.352 31 Y HA -0.121 4.429 4.550 -0.000 0.000 0.292 31 Y C 2.292 178.189 175.900 -0.005 0.000 1.136 31 Y CA 0.587 58.715 58.100 0.047 0.000 1.227 31 Y CB -0.914 37.524 38.460 -0.036 0.000 0.991 31 Y HN 0.340 nan 8.280 nan 0.000 0.545 32 N N 0.360 119.132 118.700 0.121 0.000 2.166 32 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 32 N C 1.925 177.420 175.510 -0.026 0.000 1.019 32 N CA 1.284 54.342 53.050 0.014 0.000 0.856 32 N CB -0.399 38.094 38.487 0.010 0.000 0.993 32 N HN 0.364 nan 8.380 nan 0.000 0.426 33 I N 0.706 121.277 120.570 0.002 0.000 2.353 33 I HA -0.163 4.006 4.170 -0.000 0.000 0.248 33 I C 1.935 177.999 176.117 -0.089 0.000 1.119 33 I CA 0.638 61.922 61.300 -0.027 0.000 1.417 33 I CB -0.151 37.848 38.000 -0.002 0.000 1.078 33 I HN 0.027 nan 8.210 nan 0.000 0.421 34 L N 0.271 121.425 121.223 -0.115 0.000 2.141 34 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 34 L C 1.109 177.726 176.870 -0.421 0.000 1.094 34 L CA 0.833 55.454 54.840 -0.365 0.000 0.763 34 L CB -0.499 41.294 42.059 -0.444 0.000 0.908 34 L HN 0.134 nan 8.230 nan 0.000 0.437 35 R N 1.269 121.582 120.500 -0.312 0.000 2.298 35 R HA 0.281 4.621 4.340 -0.000 0.000 0.310 35 R C -0.324 175.840 176.300 -0.227 0.000 1.068 35 R CA -0.202 55.574 56.100 -0.541 0.000 0.957 35 R CB 0.679 30.273 30.300 -1.176 0.000 1.003 35 R HN 0.175 nan 8.270 nan 0.000 0.454 36 R N 3.724 124.275 120.500 0.085 0.000 2.474 36 R HA 0.185 4.525 4.340 -0.000 0.000 0.295 36 R C -1.757 174.729 176.300 0.309 0.000 0.980 36 R CA -2.026 54.169 56.100 0.158 0.000 0.934 36 R CB 1.110 31.507 30.300 0.162 0.000 1.101 36 R HN 0.343 nan 8.270 nan 0.000 0.469 37 P HA -0.213 nan 4.420 nan 0.000 0.217 37 P C 0.396 177.818 177.300 0.203 0.000 1.151 37 P CA 1.407 64.626 63.100 0.199 0.000 0.849 37 P CB 0.132 31.899 31.700 0.111 0.000 0.787 38 D N -2.159 118.340 120.400 0.165 0.000 2.352 38 D HA 0.075 4.714 4.640 -0.000 0.000 0.232 38 D C 1.397 177.750 176.300 0.089 0.000 1.055 38 D CA 0.690 54.753 54.000 0.106 0.000 0.891 38 D CB -0.977 39.869 40.800 0.077 0.000 0.897 38 D HN 0.256 nan 8.370 nan 0.000 0.529 39 G N -0.237 108.667 108.800 0.174 0.000 2.175 39 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 39 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 39 G C 0.531 175.502 174.900 0.119 0.000 0.982 39 G CA 0.458 45.541 45.100 -0.028 0.000 0.641 39 G HN 0.784 nan 8.290 nan 0.000 0.527 40 T N -1.722 112.986 114.554 0.258 0.000 2.847 40 T HA 0.686 5.035 4.350 -0.000 0.000 0.279 40 T C -0.360 174.638 174.700 0.497 0.000 0.984 40 T CA -0.346 61.919 62.100 0.276 0.000 0.988 40 T CB 2.366 71.337 68.868 0.172 0.000 1.040 40 T HN 1.005 nan 8.240 nan 0.000 0.528 41 F N 0.737 120.822 119.950 0.226 0.000 2.556 41 F HA 0.437 4.964 4.527 -0.000 0.000 0.314 41 F C -0.027 175.837 175.800 0.106 0.000 1.106 41 F CA -1.207 56.912 58.000 0.198 0.000 0.911 41 F CB 1.833 40.975 39.000 0.236 0.000 1.190 41 F HN 0.779 nan 8.300 nan 0.000 0.448 42 N N 4.400 122.835 118.700 -0.443 0.000 2.968 42 N HA 0.079 4.819 4.740 -0.000 0.000 0.271 42 N C 1.239 176.571 175.510 -0.296 0.000 1.174 42 N CA -0.202 52.686 53.050 -0.271 0.000 1.096 42 N CB 0.234 38.579 38.487 -0.237 0.000 1.403 42 N HN 0.620 nan 8.380 nan 0.000 0.522 43 R N 1.124 121.644 120.500 0.032 0.000 2.081 43 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 43 R C 2.084 178.458 176.300 0.124 0.000 1.131 43 R CA 1.672 57.888 56.100 0.194 0.000 0.960 43 R CB -0.726 29.738 30.300 0.273 0.000 0.856 43 R HN 0.602 nan 8.270 nan 0.000 0.436 44 H N -0.118 118.975 119.070 0.038 0.000 2.321 44 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 44 H C 1.678 177.040 175.328 0.056 0.000 1.087 44 H CA 1.975 58.049 56.048 0.042 0.000 1.319 44 H CB -0.187 29.583 29.762 0.012 0.000 1.379 44 H HN 0.259 nan 8.280 nan 0.000 0.501 45 L N 1.091 122.437 121.223 0.206 0.000 2.093 45 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 45 L C 2.724 179.673 176.870 0.131 0.000 1.085 45 L CA 1.899 56.845 54.840 0.177 0.000 0.755 45 L CB -1.130 40.980 42.059 0.085 0.000 0.904 45 L HN 0.306 nan 8.230 nan 0.000 0.435 46 A N -0.660 122.182 122.820 0.037 0.000 1.883 46 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 46 A C 2.076 179.731 177.584 0.118 0.000 1.186 46 A CA 1.779 53.864 52.037 0.080 0.000 0.624 46 A CB -0.571 18.480 19.000 0.085 0.000 0.822 46 A HN 0.512 nan 8.150 nan 0.000 0.444 47 E N -1.517 118.730 120.200 0.079 0.000 2.347 47 E HA -0.116 4.233 4.350 -0.000 0.000 0.196 47 E C 1.587 178.204 176.600 0.029 0.000 1.008 47 E CA 0.924 57.348 56.400 0.040 0.000 0.852 47 E CB -0.404 29.297 29.700 0.001 0.000 0.783 47 E HN 0.852 nan 8.360 nan 0.000 0.505 48 Y N 0.896 121.151 120.300 -0.076 0.000 2.243 48 Y HA -0.016 4.534 4.550 -0.000 0.000 0.293 48 Y C 2.008 177.908 175.900 0.000 0.000 1.124 48 Y CA 1.030 59.094 58.100 -0.059 0.000 1.159 48 Y CB -0.162 38.266 38.460 -0.053 0.000 1.008 48 Y HN -0.094 nan 8.280 nan 0.000 0.527 49 L N -0.003 121.228 121.223 0.013 0.000 2.109 49 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 49 L C 0.602 177.451 176.870 -0.036 0.000 1.086 49 L CA 0.822 55.637 54.840 -0.041 0.000 0.760 49 L CB -0.687 41.440 42.059 0.113 0.000 0.910 49 L HN 0.132 nan 8.230 nan 0.000 0.437 50 D N 0.786 121.210 120.400 0.040 0.000 2.488 50 D HA -0.031 4.609 4.640 -0.000 0.000 0.238 50 D C 0.026 176.321 176.300 -0.007 0.000 1.138 50 D CA 0.134 54.179 54.000 0.075 0.000 0.873 50 D CB 0.642 41.495 40.800 0.089 0.000 1.183 50 D HN -0.141 nan 8.370 nan 0.000 0.458 51 R N 3.699 124.209 120.500 0.016 0.000 2.202 51 R HA 0.348 4.688 4.340 -0.000 0.000 0.334 51 R C -0.058 176.238 176.300 -0.006 0.000 1.036 51 R CA -0.282 55.804 56.100 -0.024 0.000 0.878 51 R CB 0.651 30.933 30.300 -0.029 0.000 1.067 51 R HN 0.437 nan 8.270 nan 0.000 0.457 52 K N 1.013 121.401 120.400 -0.020 0.000 2.295 52 K HA 0.643 4.962 4.320 -0.000 0.000 0.239 52 K C -0.334 176.265 176.600 -0.002 0.000 0.991 52 K CA -1.043 55.240 56.287 -0.006 0.000 0.845 52 K CB 2.333 34.826 32.500 -0.011 0.000 1.197 52 K HN 0.355 nan 8.250 nan 0.000 0.441 53 V N -2.382 117.540 119.914 0.012 0.000 2.925 53 V HA 0.530 4.650 4.120 -0.000 0.000 0.311 53 V C -0.087 176.020 176.094 0.022 0.000 1.104 53 V CA -0.938 61.373 62.300 0.018 0.000 0.954 53 V CB 1.376 33.218 31.823 0.031 0.000 1.022 53 V HN 0.965 nan 8.190 nan 0.000 0.427 54 T N 1.414 115.980 114.554 0.019 0.000 2.788 54 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 54 T C 0.561 175.274 174.700 0.022 0.000 0.984 54 T CA 0.132 62.242 62.100 0.017 0.000 0.972 54 T CB 1.271 70.150 68.868 0.018 0.000 1.039 54 T HN 1.960 nan 8.240 nan 0.000 0.530 55 A N 0.955 123.784 122.820 0.014 0.000 2.280 55 A HA 0.601 4.921 4.320 -0.000 0.000 0.268 55 A C 0.319 177.935 177.584 0.053 0.000 1.111 55 A CA -0.693 51.350 52.037 0.010 0.000 0.814 55 A CB -0.168 18.834 19.000 0.004 0.000 1.093 55 A HN 0.948 nan 8.150 nan 0.000 0.498 56 N N -1.857 116.896 118.700 0.089 0.000 2.616 56 N HA 0.392 5.132 4.740 -0.000 0.000 0.281 56 N C 0.022 175.634 175.510 0.171 0.000 1.145 56 N CA 0.205 53.318 53.050 0.104 0.000 0.919 56 N CB 1.483 40.022 38.487 0.086 0.000 1.509 56 N HN 0.624 nan 8.380 nan 0.000 0.537 57 A N 2.890 125.790 122.820 0.133 0.000 2.121 57 A HA -0.008 4.311 4.320 -0.000 0.000 0.218 57 A C 0.571 178.139 177.584 -0.026 0.000 1.154 57 A CA 0.641 52.734 52.037 0.095 0.000 0.679 57 A CB -0.367 18.624 19.000 -0.016 0.000 0.795 57 A HN 0.665 nan 8.150 nan 0.000 0.458 58 N N 1.310 120.023 118.700 0.020 0.000 2.442 58 N HA 0.234 4.974 4.740 -0.000 0.000 0.265 58 N C -2.930 172.616 175.510 0.061 0.000 1.138 58 N CA -0.985 52.065 53.050 -0.001 0.000 0.956 58 N CB 0.512 39.005 38.487 0.011 0.000 1.067 58 N HN 0.072 nan 8.380 nan 0.000 0.474 59 P HA 0.060 nan 4.420 nan 0.000 0.267 59 P C -0.638 176.711 177.300 0.082 0.000 1.205 59 P CA 0.073 63.237 63.100 0.106 0.000 0.765 59 P CB 0.718 32.457 31.700 0.065 0.000 0.828 60 V N 4.112 124.084 119.914 0.097 0.000 2.483 60 V HA 0.196 4.316 4.120 -0.000 0.000 0.297 60 V C 0.086 176.219 176.094 0.064 0.000 1.027 60 V CA -0.462 61.879 62.300 0.068 0.000 0.855 60 V CB 1.450 33.312 31.823 0.065 0.000 0.995 60 V HN 0.643 nan 8.190 nan 0.000 0.424 61 D N 3.942 124.371 120.400 0.049 0.000 2.837 61 D HA -0.197 4.443 4.640 -0.000 0.000 0.230 61 D C 1.266 177.596 176.300 0.051 0.000 1.152 61 D CA 1.630 55.656 54.000 0.043 0.000 0.736 61 D CB -0.981 39.840 40.800 0.036 0.000 1.084 61 D HN 1.514 nan 8.370 nan 0.000 0.429 62 G N -1.766 107.072 108.800 0.063 0.000 2.143 62 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 62 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 62 G C 0.177 175.133 174.900 0.093 0.000 0.991 62 G CA 0.359 45.504 45.100 0.074 0.000 0.689 62 G HN 0.680 nan 8.290 nan 0.000 0.522 63 V N 0.297 120.275 119.914 0.107 0.000 2.760 63 V HA 0.812 4.932 4.120 -0.000 0.000 0.309 63 V C -0.132 176.075 176.094 0.188 0.000 1.077 63 V CA -0.577 61.789 62.300 0.109 0.000 0.910 63 V CB 1.751 33.617 31.823 0.073 0.000 1.008 63 V HN 0.861 nan 8.190 nan 0.000 0.424 64 F N 2.034 122.010 119.950 0.042 0.000 2.631 64 F HA 0.997 5.524 4.527 -0.000 0.000 0.328 64 F C -0.145 175.694 175.800 0.065 0.000 1.067 64 F CA -0.676 57.346 58.000 0.037 0.000 0.969 64 F CB 2.125 41.110 39.000 -0.025 0.000 1.332 64 F HN 0.549 nan 8.300 nan 0.000 0.490 65 S N 0.984 116.775 115.700 0.152 0.000 2.607 65 S HA 0.894 5.364 4.470 -0.000 0.000 0.273 65 S C -1.394 173.311 174.600 0.175 0.000 1.148 65 S CA -0.751 57.375 58.200 -0.124 0.000 0.833 65 S CB 2.053 65.005 63.200 -0.412 0.000 1.130 65 S HN 1.459 nan 8.310 nan 0.000 0.470 66 F N -1.188 118.682 119.950 -0.134 0.000 2.665 66 F HA 0.716 5.243 4.527 -0.000 0.000 0.308 66 F C -1.528 174.222 175.800 -0.084 0.000 1.112 66 F CA -0.937 57.039 58.000 -0.041 0.000 0.972 66 F CB 0.793 39.829 39.000 0.060 0.000 1.295 66 F HN 0.429 nan 8.300 nan 0.000 0.440 67 D N 2.046 122.487 120.400 0.068 0.000 2.225 67 D HA 0.607 5.247 4.640 -0.000 0.000 0.249 67 D C -0.757 175.582 176.300 0.064 0.000 1.052 67 D CA -0.159 53.819 54.000 -0.036 0.000 0.909 67 D CB 2.547 43.330 40.800 -0.028 0.000 1.186 67 D HN 0.455 nan 8.370 nan 0.000 0.431 68 V N 2.075 121.954 119.914 -0.058 0.000 2.709 68 V HA 0.191 4.311 4.120 -0.000 0.000 0.308 68 V C -0.493 175.509 176.094 -0.154 0.000 1.062 68 V CA -0.955 61.318 62.300 -0.045 0.000 0.901 68 V CB 2.223 33.981 31.823 -0.108 0.000 1.003 68 V HN 0.306 nan 8.190 nan 0.000 0.425 69 L N 5.234 126.409 121.223 -0.080 0.000 2.282 69 L HA 0.470 4.810 4.340 -0.000 0.000 0.287 69 L C 0.726 177.511 176.870 -0.142 0.000 1.075 69 L CA 0.635 55.421 54.840 -0.090 0.000 0.839 69 L CB 0.241 42.288 42.059 -0.021 0.000 1.219 69 L HN 0.627 nan 8.230 nan 0.000 0.434 70 I N 2.152 122.565 120.570 -0.262 0.000 2.500 70 I HA 0.035 4.205 4.170 -0.000 0.000 0.252 70 I C -0.079 175.983 176.117 -0.092 0.000 1.142 70 I CA 0.689 61.795 61.300 -0.324 0.000 1.451 70 I CB 0.135 37.843 38.000 -0.486 0.000 1.093 70 I HN 0.664 nan 8.210 nan 0.000 0.430 71 D N -1.087 119.280 120.400 -0.055 0.000 2.764 71 D HA 0.186 4.826 4.640 -0.000 0.000 0.227 71 D C 0.653 176.955 176.300 0.004 0.000 1.347 71 D CA -0.438 53.562 54.000 -0.001 0.000 0.953 71 D CB 1.233 42.041 40.800 0.014 0.000 1.476 71 D HN -0.242 nan 8.370 nan 0.000 0.585 72 R N 2.930 123.439 120.500 0.016 0.000 2.066 72 R HA 0.012 4.352 4.340 -0.000 0.000 0.232 72 R C 1.917 178.228 176.300 0.018 0.000 1.131 72 R CA 1.798 57.907 56.100 0.016 0.000 0.955 72 R CB -0.128 30.185 30.300 0.022 0.000 0.851 72 R HN 0.493 nan 8.270 nan 0.000 0.432 73 R N 0.578 121.092 120.500 0.022 0.000 2.133 73 R HA -0.143 4.197 4.340 -0.000 0.000 0.247 73 R C 1.496 177.808 176.300 0.020 0.000 1.151 73 R CA 2.243 58.356 56.100 0.022 0.000 0.971 73 R CB -0.387 29.928 30.300 0.025 0.000 0.866 73 R HN 0.591 nan 8.270 nan 0.000 0.447 74 I N -3.683 116.899 120.570 0.021 0.000 4.081 74 I HA 0.234 4.404 4.170 -0.000 0.000 0.333 74 I C -0.606 175.521 176.117 0.017 0.000 1.413 74 I CA -0.480 60.833 61.300 0.021 0.000 1.110 74 I CB 0.285 38.303 38.000 0.029 0.000 1.082 74 I HN -0.013 nan 8.210 nan 0.000 0.402 75 N N 2.690 121.396 118.700 0.010 0.000 2.725 75 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 75 N C -0.412 175.095 175.510 -0.005 0.000 1.031 75 N CA 0.579 53.630 53.050 0.002 0.000 0.720 75 N CB -0.926 37.565 38.487 0.006 0.000 0.930 75 N HN 0.399 nan 8.380 nan 0.000 0.543 76 L N 0.883 122.099 121.223 -0.011 0.000 2.315 76 L HA 0.394 4.734 4.340 -0.000 0.000 0.283 76 L C -0.006 176.823 176.870 -0.069 0.000 1.089 76 L CA 0.034 54.862 54.840 -0.020 0.000 0.833 76 L CB 0.484 42.539 42.059 -0.006 0.000 1.170 76 L HN 0.151 nan 8.230 nan 0.000 0.442 77 L N 4.006 125.189 121.223 -0.066 0.000 2.334 77 L HA 0.696 5.036 4.340 -0.000 0.000 0.270 77 L C 0.026 176.818 176.870 -0.131 0.000 1.018 77 L CA -0.535 54.241 54.840 -0.106 0.000 0.811 77 L CB 1.887 43.904 42.059 -0.071 0.000 1.271 77 L HN 0.590 nan 8.230 nan 0.000 0.443 78 S N 0.352 115.932 115.700 -0.199 0.000 2.536 78 S HA 0.486 4.956 4.470 -0.000 0.000 0.271 78 S C -1.119 173.339 174.600 -0.236 0.000 1.134 78 S CA -0.710 57.366 58.200 -0.206 0.000 0.897 78 S CB 2.437 65.455 63.200 -0.304 0.000 1.094 78 S HN 0.521 nan 8.310 nan 0.000 0.473 79 R N 1.984 122.360 120.500 -0.206 0.000 2.338 79 R HA 0.682 5.021 4.340 -0.000 0.000 0.317 79 R C -1.419 174.589 176.300 -0.487 0.000 0.968 79 R CA -0.400 55.481 56.100 -0.365 0.000 0.849 79 R CB 0.752 30.845 30.300 -0.346 0.000 1.128 79 R HN 0.459 nan 8.270 nan 0.000 0.448 80 V N 5.536 125.008 119.914 -0.737 0.000 2.427 80 V HA 0.346 4.466 4.120 -0.000 0.000 0.286 80 V C -0.942 174.680 176.094 -0.787 0.000 1.034 80 V CA -0.490 61.401 62.300 -0.682 0.000 0.893 80 V CB 1.151 32.396 31.823 -0.962 0.000 0.982 80 V HN 0.664 nan 8.190 nan 0.000 0.452 81 Y N 4.299 124.427 120.300 -0.286 0.000 2.341 81 Y HA 0.740 5.290 4.550 -0.000 0.000 0.338 81 Y C 0.435 176.161 175.900 -0.289 0.000 0.965 81 Y CA -0.706 57.228 58.100 -0.278 0.000 1.108 81 Y CB 1.723 40.078 38.460 -0.175 0.000 1.180 81 Y HN 0.503 nan 8.280 nan 0.000 0.458 82 R N 3.369 123.645 120.500 -0.374 0.000 2.771 82 R HA 0.482 4.822 4.340 -0.000 0.000 0.274 82 R C -3.028 173.111 176.300 -0.268 0.000 0.987 82 R CA -2.285 53.611 56.100 -0.339 0.000 0.908 82 R CB 2.190 32.205 30.300 -0.474 0.000 1.213 82 R HN 0.333 nan 8.270 nan 0.000 0.468 83 P HA 0.069 nan 4.420 nan 0.000 0.275 83 P C -0.620 176.763 177.300 0.138 0.000 1.228 83 P CA -0.237 62.895 63.100 0.053 0.000 0.786 83 P CB 0.821 32.565 31.700 0.074 0.000 0.927 84 A N 3.341 126.264 122.820 0.173 0.000 2.565 84 A HA 0.064 4.384 4.320 -0.000 0.000 0.237 84 A C -0.176 177.499 177.584 0.151 0.000 1.053 84 A CA 0.183 52.314 52.037 0.158 0.000 0.755 84 A CB -0.835 18.232 19.000 0.110 0.000 0.980 84 A HN 0.392 nan 8.150 nan 0.000 0.506 85 Y N 0.708 121.108 120.300 0.166 0.000 2.497 85 Y HA 0.320 4.870 4.550 -0.000 0.000 0.334 85 Y C 1.117 177.051 175.900 0.058 0.000 1.199 85 Y CA 0.135 58.296 58.100 0.101 0.000 1.425 85 Y CB 0.160 38.642 38.460 0.037 0.000 1.291 85 Y HN 0.810 nan 8.280 nan 0.000 0.562 86 A N 2.365 125.321 122.820 0.227 0.000 2.371 86 A HA 0.298 4.618 4.320 -0.000 0.000 0.257 86 A C 0.414 178.052 177.584 0.091 0.000 1.089 86 A CA -0.310 51.802 52.037 0.126 0.000 0.794 86 A CB -0.125 18.932 19.000 0.096 0.000 1.029 86 A HN 0.922 nan 8.150 nan 0.000 0.488 87 D N -0.964 119.473 120.400 0.062 0.000 2.723 87 D HA -0.168 4.472 4.640 -0.000 0.000 0.236 87 D C 0.453 176.774 176.300 0.035 0.000 1.138 87 D CA 1.648 55.671 54.000 0.037 0.000 0.676 87 D CB -1.668 39.145 40.800 0.022 0.000 1.069 87 D HN 1.101 nan 8.370 nan 0.000 0.430 88 Q N 0.252 120.083 119.800 0.053 0.000 2.322 88 Q HA 0.342 4.682 4.340 -0.000 0.000 0.256 88 Q C 1.130 177.141 176.000 0.017 0.000 0.960 88 Q CA -0.183 55.648 55.803 0.047 0.000 0.934 88 Q CB 0.521 29.307 28.738 0.081 0.000 1.200 88 Q HN 0.397 nan 8.270 nan 0.000 0.435 89 E N 0.703 120.905 120.200 0.002 0.000 2.230 89 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 89 E C 0.055 176.648 176.600 -0.011 0.000 0.987 89 E CA 0.651 57.048 56.400 -0.005 0.000 0.841 89 E CB 0.584 30.278 29.700 -0.011 0.000 0.783 89 E HN 0.702 nan 8.360 nan 0.000 0.481 90 Q N 0.163 119.953 119.800 -0.018 0.000 2.456 90 Q HA 0.336 4.676 4.340 -0.000 0.000 0.283 90 Q C -2.463 173.512 176.000 -0.041 0.000 1.084 90 Q CA -1.975 53.811 55.803 -0.028 0.000 0.801 90 Q CB 1.406 30.126 28.738 -0.031 0.000 1.434 90 Q HN 0.014 nan 8.270 nan 0.000 0.419 91 P HA 0.254 nan 4.420 nan 0.000 0.272 91 P C -2.505 174.725 177.300 -0.117 0.000 1.230 91 P CA -1.129 61.913 63.100 -0.097 0.000 0.788 91 P CB -0.550 31.100 31.700 -0.083 0.000 0.949 92 P HA 0.050 nan 4.420 nan 0.000 0.267 92 P C 0.360 177.574 177.300 -0.144 0.000 1.205 92 P CA 0.194 63.183 63.100 -0.185 0.000 0.765 92 P CB 0.225 31.687 31.700 -0.397 0.000 0.828 93 S N 2.725 118.359 115.700 -0.109 0.000 2.686 93 S HA 0.244 4.714 4.470 -0.000 0.000 0.270 93 S C 1.419 175.950 174.600 -0.115 0.000 1.194 93 S CA -0.657 57.487 58.200 -0.093 0.000 0.990 93 S CB 0.178 63.332 63.200 -0.076 0.000 1.029 93 S HN 0.491 nan 8.310 nan 0.000 0.560 94 I N -1.655 118.857 120.570 -0.097 0.000 3.083 94 I HA 0.044 4.214 4.170 -0.000 0.000 0.273 94 I C 1.077 177.107 176.117 -0.145 0.000 1.297 94 I CA 1.110 62.341 61.300 -0.116 0.000 1.452 94 I CB -0.639 37.318 38.000 -0.072 0.000 1.078 94 I HN 0.490 nan 8.210 nan 0.000 0.484 95 L N 0.579 121.726 121.223 -0.128 0.000 2.607 95 L HA 0.210 4.550 4.340 -0.000 0.000 0.228 95 L C 0.731 177.504 176.870 -0.161 0.000 1.123 95 L CA 0.131 54.892 54.840 -0.132 0.000 0.890 95 L CB -0.242 41.760 42.059 -0.096 0.000 1.103 95 L HN 0.194 nan 8.230 nan 0.000 0.468 96 D N -0.243 120.058 120.400 -0.165 0.000 2.431 96 D HA 0.149 4.789 4.640 -0.000 0.000 0.213 96 D C 1.955 178.181 176.300 -0.122 0.000 1.130 96 D CA 0.147 54.061 54.000 -0.143 0.000 0.834 96 D CB 0.794 41.541 40.800 -0.089 0.000 0.985 96 D HN 0.273 nan 8.370 nan 0.000 0.504 97 L N 0.437 121.480 121.223 -0.301 0.000 2.217 97 L HA 0.002 4.342 4.340 -0.000 0.000 0.211 97 L C 1.242 177.758 176.870 -0.590 0.000 1.107 97 L CA 1.026 55.549 54.840 -0.528 0.000 0.783 97 L CB -0.106 41.252 42.059 -1.169 0.000 0.919 97 L HN -0.138 nan 8.230 nan 0.000 0.442 98 E N 0.597 120.385 120.200 -0.686 0.000 2.411 98 E HA 0.057 4.407 4.350 -0.000 0.000 0.204 98 E C 0.033 176.248 176.600 -0.642 0.000 1.059 98 E CA -0.197 55.472 56.400 -1.217 0.000 1.112 98 E CB 0.303 29.078 29.700 -1.542 0.000 1.168 98 E HN 0.180 nan 8.360 nan 0.000 0.445 99 K N 2.553 122.826 120.400 -0.211 0.000 2.447 99 K HA 0.074 4.394 4.320 -0.000 0.000 0.281 99 K C -2.412 174.251 176.600 0.106 0.000 1.031 99 K CA -1.632 54.591 56.287 -0.106 0.000 1.019 99 K CB 0.380 32.696 32.500 -0.307 0.000 0.918 99 K HN -0.191 nan 8.250 nan 0.000 0.476 100 P HA -0.146 nan 4.420 nan 0.000 0.261 100 P C -0.766 176.649 177.300 0.192 0.000 1.173 100 P CA -0.196 63.033 63.100 0.214 0.000 0.760 100 P CB 0.345 32.115 31.700 0.116 0.000 0.783 101 V N 0.566 120.618 119.914 0.231 0.000 2.673 101 V HA 0.126 4.246 4.120 -0.000 0.000 0.303 101 V C 0.228 176.386 176.094 0.107 0.000 1.046 101 V CA -0.360 62.051 62.300 0.185 0.000 1.126 101 V CB 0.319 32.227 31.823 0.141 0.000 0.934 101 V HN 0.576 nan 8.190 nan 0.000 0.487 102 D N 2.862 123.324 120.400 0.104 0.000 2.349 102 D HA 0.723 5.363 4.640 -0.000 0.000 0.232 102 D C -0.021 176.309 176.300 0.050 0.000 1.071 102 D CA 0.414 54.453 54.000 0.064 0.000 0.832 102 D CB 1.014 41.852 40.800 0.062 0.000 1.086 102 D HN 1.383 nan 8.370 nan 0.000 0.504 103 G N 2.177 110.991 108.800 0.024 0.000 2.343 103 G HA2 0.034 3.994 3.960 -0.000 0.000 0.298 103 G HA3 0.034 3.994 3.960 -0.000 0.000 0.298 103 G C -0.098 174.790 174.900 -0.019 0.000 1.644 103 G CA -0.616 44.489 45.100 0.008 0.000 0.958 103 G HN 0.396 nan 8.290 nan 0.000 0.702 104 D N -0.442 119.947 120.400 -0.019 0.000 2.144 104 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 104 D C 0.685 176.937 176.300 -0.080 0.000 0.978 104 D CA 0.994 54.977 54.000 -0.029 0.000 0.833 104 D CB 0.172 40.968 40.800 -0.006 0.000 0.961 104 D HN 0.226 nan 8.370 nan 0.000 0.470 105 I N 1.630 122.147 120.570 -0.088 0.000 2.468 105 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 105 I C -0.625 175.412 176.117 -0.133 0.000 1.038 105 I CA -0.568 60.625 61.300 -0.179 0.000 1.083 105 I CB 1.875 39.851 38.000 -0.041 0.000 1.223 105 I HN -0.332 nan 8.210 nan 0.000 0.443 106 V N 8.369 128.160 119.914 -0.206 0.000 2.340 106 V HA 0.295 4.415 4.120 -0.000 0.000 0.277 106 V C -2.075 174.009 176.094 -0.017 0.000 1.017 106 V CA -1.367 60.892 62.300 -0.069 0.000 0.820 106 V CB 1.615 33.417 31.823 -0.035 0.000 1.028 106 V HN 0.535 nan 8.190 nan 0.000 0.436 107 P HA 0.198 nan 4.420 nan 0.000 0.268 107 P C -0.729 176.684 177.300 0.189 0.000 1.205 107 P CA 0.097 63.348 63.100 0.251 0.000 0.771 107 P CB 1.776 33.636 31.700 0.267 0.000 0.858 108 V N 4.921 124.980 119.914 0.241 0.000 2.407 108 V HA 0.322 4.442 4.120 -0.000 0.000 0.291 108 V C 0.469 176.692 176.094 0.215 0.000 1.018 108 V CA -0.578 61.814 62.300 0.153 0.000 0.842 108 V CB 1.425 33.287 31.823 0.064 0.000 0.996 108 V HN 0.401 nan 8.190 nan 0.000 0.426 109 I N 5.691 126.362 120.570 0.169 0.000 2.304 109 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 109 I C -0.394 175.799 176.117 0.128 0.000 1.018 109 I CA -0.567 60.844 61.300 0.185 0.000 1.260 109 I CB 1.462 39.538 38.000 0.127 0.000 1.390 109 I HN 0.404 nan 8.210 nan 0.000 0.475 110 L N 8.560 129.847 121.223 0.107 0.000 2.268 110 L HA 0.369 4.709 4.340 -0.000 0.000 0.289 110 L C -0.862 175.919 176.870 -0.148 0.000 1.064 110 L CA 0.129 54.947 54.840 -0.037 0.000 0.824 110 L CB 0.166 42.209 42.059 -0.026 0.000 1.202 110 L HN 0.336 nan 8.230 nan 0.000 0.433 111 F N 5.550 125.292 119.950 -0.346 0.000 2.404 111 F HA 0.610 5.137 4.527 -0.000 0.000 0.339 111 F C -1.070 174.391 175.800 -0.565 0.000 1.105 111 F CA -0.555 57.252 58.000 -0.323 0.000 1.087 111 F CB 0.879 39.795 39.000 -0.140 0.000 1.143 111 F HN 0.306 nan 8.300 nan 0.000 0.491 112 F N 5.643 125.001 119.950 -0.987 0.000 2.460 112 F HA 0.275 4.802 4.527 -0.000 0.000 0.341 112 F C 0.397 175.419 175.800 -1.296 0.000 1.130 112 F CA -0.911 56.609 58.000 -0.801 0.000 0.962 112 F CB 0.648 39.316 39.000 -0.554 0.000 1.171 112 F HN 0.517 nan 8.300 nan 0.000 0.436 113 H N 0.940 119.564 119.070 -0.744 0.000 2.745 113 H HA 0.504 5.060 4.556 -0.000 0.000 0.373 113 H C 0.242 175.210 175.328 -0.600 0.000 1.226 113 H CA -0.180 55.286 56.048 -0.971 0.000 1.435 113 H CB 0.742 29.793 29.762 -1.185 0.000 1.461 113 H HN 0.714 nan 8.280 nan 0.000 0.616 114 G N -1.585 106.980 108.800 -0.391 0.000 2.531 114 G HA2 0.432 4.392 3.960 -0.000 0.000 0.281 114 G HA3 0.432 4.392 3.960 -0.000 0.000 0.281 114 G C 0.500 175.421 174.900 0.035 0.000 1.382 114 G CA -0.589 44.435 45.100 -0.127 0.000 1.045 114 G HN 1.220 nan 8.290 nan 0.000 0.533 115 G N -2.526 106.228 108.800 -0.076 0.000 2.155 115 G HA2 0.120 4.080 3.960 -0.000 0.000 0.130 115 G HA3 0.120 4.080 3.960 -0.000 0.000 0.130 115 G C 0.542 175.279 174.900 -0.272 0.000 1.027 115 G CA 0.501 45.559 45.100 -0.071 0.000 0.705 115 G HN 1.740 nan 8.290 nan 0.000 0.496 116 S N -1.531 113.896 115.700 -0.454 0.000 3.587 116 S HA -0.303 4.167 4.470 -0.000 0.000 0.337 116 S C 1.244 175.603 174.600 -0.402 0.000 1.119 116 S CA 1.457 59.283 58.200 -0.622 0.000 0.976 116 S CB -1.718 60.868 63.200 -1.022 0.000 0.922 116 S HN 1.748 nan 8.310 nan 0.000 0.503 117 F N -3.965 115.779 119.950 -0.343 0.000 2.590 117 F HA -0.384 4.143 4.527 -0.000 0.000 0.471 117 F C 1.617 177.333 175.800 -0.140 0.000 0.551 117 F CA 1.280 59.132 58.000 -0.247 0.000 1.228 117 F CB -1.792 36.903 39.000 -0.509 0.000 1.862 117 F HN 0.523 nan 8.300 nan 0.000 0.271 118 A N -2.106 120.655 122.820 -0.099 0.000 2.192 118 A HA 0.286 4.606 4.320 -0.000 0.000 0.208 118 A C 0.657 177.918 177.584 -0.537 0.000 1.220 118 A CA 0.295 52.115 52.037 -0.361 0.000 0.900 118 A CB 0.145 18.870 19.000 -0.459 0.000 0.937 118 A HN 0.406 nan 8.150 nan 0.000 0.487 119 H N -0.362 118.569 119.070 -0.233 0.000 2.595 119 H HA 0.609 5.165 4.556 -0.000 0.000 0.346 119 H C 0.050 175.305 175.328 -0.121 0.000 1.181 119 H CA 0.189 56.117 56.048 -0.201 0.000 1.242 119 H CB 1.485 31.006 29.762 -0.401 0.000 1.652 119 H HN 0.303 nan 8.280 nan 0.000 0.548 120 S N 0.097 115.803 115.700 0.009 0.000 3.799 120 S HA -0.122 4.347 4.470 -0.000 0.000 0.726 120 S C -0.547 173.754 174.600 -0.498 0.000 1.480 120 S CA 0.385 58.479 58.200 -0.177 0.000 1.488 120 S CB -0.503 62.623 63.200 -0.124 0.000 0.408 120 S HN 0.782 nan 8.310 nan 0.000 0.868 121 S N -0.223 115.127 115.700 -0.583 0.000 2.685 121 S HA 0.778 5.248 4.470 -0.000 0.000 0.282 121 S C 1.049 175.419 174.600 -0.382 0.000 1.159 121 S CA -0.328 57.575 58.200 -0.495 0.000 0.833 121 S CB 1.712 64.807 63.200 -0.175 0.000 1.151 121 S HN 1.358 nan 8.310 nan 0.000 0.485 122 A N 1.374 124.125 122.820 -0.114 0.000 2.019 122 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 122 A C 1.351 178.986 177.584 0.086 0.000 1.164 122 A CA 1.772 53.847 52.037 0.063 0.000 0.644 122 A CB -1.073 17.975 19.000 0.081 0.000 0.805 122 A HN 0.891 nan 8.150 nan 0.000 0.449 123 N N -0.977 117.736 118.700 0.022 0.000 2.322 123 N HA 0.086 4.826 4.740 -0.000 0.000 0.194 123 N C -0.258 175.276 175.510 0.041 0.000 1.126 123 N CA 0.065 53.140 53.050 0.041 0.000 0.845 123 N CB 0.199 38.693 38.487 0.010 0.000 0.976 123 N HN 0.123 nan 8.380 nan 0.000 0.475 124 S N 0.530 116.254 115.700 0.041 0.000 2.549 124 S HA 0.228 4.697 4.470 -0.000 0.000 0.283 124 S C 1.404 176.036 174.600 0.055 0.000 1.320 124 S CA -0.368 57.859 58.200 0.046 0.000 1.058 124 S CB 1.344 64.585 63.200 0.068 0.000 0.882 124 S HN 0.475 nan 8.310 nan 0.000 0.498 125 A N 3.758 126.591 122.820 0.022 0.000 1.940 125 A HA -0.154 4.165 4.320 -0.000 0.000 0.219 125 A C 1.912 179.469 177.584 -0.044 0.000 1.176 125 A CA 1.829 53.867 52.037 0.002 0.000 0.631 125 A CB -0.965 18.028 19.000 -0.011 0.000 0.814 125 A HN 0.943 nan 8.150 nan 0.000 0.446 126 I N -4.593 115.913 120.570 -0.107 0.000 2.361 126 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 126 I C 2.168 178.072 176.117 -0.355 0.000 1.133 126 I CA 1.664 62.804 61.300 -0.266 0.000 1.413 126 I CB -0.508 37.245 38.000 -0.412 0.000 1.073 126 I HN 0.237 nan 8.210 nan 0.000 0.424 127 Y N 1.028 121.334 120.300 0.010 0.000 2.476 127 Y HA -0.017 4.532 4.550 -0.000 0.000 0.283 127 Y C 2.400 178.268 175.900 -0.053 0.000 1.109 127 Y CA 0.809 58.923 58.100 0.023 0.000 1.246 127 Y CB -0.497 38.041 38.460 0.130 0.000 1.068 127 Y HN 0.281 nan 8.280 nan 0.000 0.552 128 D N -0.474 119.994 120.400 0.113 0.000 2.144 128 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 128 D C 1.420 177.677 176.300 -0.071 0.000 0.978 128 D CA 1.639 55.697 54.000 0.096 0.000 0.833 128 D CB 0.298 41.195 40.800 0.161 0.000 0.961 128 D HN 0.278 nan 8.370 nan 0.000 0.470 129 T N 1.216 115.734 114.554 -0.060 0.000 2.777 129 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 129 T C 1.868 176.492 174.700 -0.126 0.000 1.040 129 T CA 0.605 62.655 62.100 -0.084 0.000 1.141 129 T CB -0.232 68.592 68.868 -0.073 0.000 0.868 129 T HN 0.091 nan 8.240 nan 0.000 0.444 130 L N 1.014 122.156 121.223 -0.135 0.000 2.017 130 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 130 L C 2.434 179.111 176.870 -0.321 0.000 1.073 130 L CA 1.566 56.318 54.840 -0.148 0.000 0.745 130 L CB -1.040 40.959 42.059 -0.100 0.000 0.894 130 L HN 0.293 nan 8.230 nan 0.000 0.432 131 C N -0.351 118.645 119.300 -0.507 0.000 2.425 131 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 131 C C 2.787 177.382 174.990 -0.659 0.000 1.280 131 C CA 0.855 59.415 59.018 -0.763 0.000 1.744 131 C CB -1.071 25.927 27.740 -1.237 0.000 1.989 131 C HN 0.518 nan 8.230 nan 0.000 0.491 132 R N 0.367 120.544 120.500 -0.538 0.000 2.096 132 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 132 R C 2.424 178.637 176.300 -0.146 0.000 1.127 132 R CA 1.239 57.178 56.100 -0.267 0.000 0.968 132 R CB -0.241 29.990 30.300 -0.116 0.000 0.861 132 R HN 0.573 nan 8.270 nan 0.000 0.440 133 R N 0.378 120.807 120.500 -0.118 0.000 2.092 133 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 133 R C 2.300 178.567 176.300 -0.055 0.000 1.119 133 R CA 1.058 57.145 56.100 -0.022 0.000 0.970 133 R CB -0.311 30.041 30.300 0.085 0.000 0.864 133 R HN 0.193 nan 8.270 nan 0.000 0.440 134 L N 0.148 121.289 121.223 -0.137 0.000 2.046 134 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 134 L C 2.354 179.163 176.870 -0.103 0.000 1.077 134 L CA 1.098 55.852 54.840 -0.142 0.000 0.747 134 L CB -0.475 41.452 42.059 -0.221 0.000 0.896 134 L HN 0.053 nan 8.230 nan 0.000 0.432 135 V N 0.152 119.999 119.914 -0.113 0.000 2.287 135 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 135 V C 2.531 178.610 176.094 -0.026 0.000 1.053 135 V CA 2.161 64.426 62.300 -0.059 0.000 1.027 135 V CB -1.169 30.625 31.823 -0.048 0.000 0.646 135 V HN 0.595 nan 8.190 nan 0.000 0.447 136 G N -0.877 107.910 108.800 -0.021 0.000 2.430 136 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.216 136 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.216 136 G C 1.332 176.235 174.900 0.005 0.000 1.146 136 G CA 0.432 45.535 45.100 0.004 0.000 0.793 136 G HN 0.436 nan 8.290 nan 0.000 0.537 137 L N -0.210 121.010 121.223 -0.006 0.000 2.446 137 L HA 0.261 4.601 4.340 -0.000 0.000 0.219 137 L C 2.002 178.858 176.870 -0.023 0.000 1.116 137 L CA 0.633 55.468 54.840 -0.007 0.000 0.844 137 L CB 0.138 42.188 42.059 -0.014 0.000 0.970 137 L HN 0.209 nan 8.230 nan 0.000 0.457 138 C N -1.629 117.651 119.300 -0.033 0.000 3.230 138 C HA 0.236 4.696 4.460 -0.000 0.000 0.300 138 C C 0.483 175.459 174.990 -0.023 0.000 1.292 138 C CA -0.791 58.203 59.018 -0.040 0.000 1.707 138 C CB -0.159 27.542 27.740 -0.066 0.000 2.181 138 C HN 0.360 nan 8.230 nan 0.000 0.655 139 K N 1.167 121.562 120.400 -0.009 0.000 4.387 139 K HA -0.184 4.136 4.320 -0.000 0.000 0.290 139 K C -0.367 176.240 176.600 0.012 0.000 0.936 139 K CA 1.153 57.445 56.287 0.009 0.000 0.890 139 K CB -2.099 30.409 32.500 0.014 0.000 1.617 139 K HN 0.870 nan 8.250 nan 0.000 0.437 140 C N -3.577 115.731 119.300 0.013 0.000 3.284 140 C HA 0.690 5.150 4.460 -0.000 0.000 0.348 140 C C 0.080 175.090 174.990 0.033 0.000 1.448 140 C CA -1.105 57.929 59.018 0.027 0.000 1.223 140 C CB 1.637 29.389 27.740 0.020 0.000 1.588 140 C HN 0.172 nan 8.230 nan 0.000 0.451 141 V N 1.290 121.237 119.914 0.054 0.000 2.539 141 V HA 0.696 4.816 4.120 -0.000 0.000 0.292 141 V C -0.130 176.003 176.094 0.064 0.000 1.045 141 V CA -0.221 62.116 62.300 0.062 0.000 0.945 141 V CB 1.466 33.340 31.823 0.086 0.000 0.993 141 V HN 0.808 nan 8.190 nan 0.000 0.464 142 V N 4.728 124.689 119.914 0.079 0.000 2.604 142 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 142 V C -0.491 175.701 176.094 0.164 0.000 1.043 142 V CA -0.583 61.773 62.300 0.094 0.000 0.888 142 V CB 2.171 33.993 31.823 -0.001 0.000 0.995 142 V HN 0.584 nan 8.190 nan 0.000 0.429 143 V N 3.322 123.309 119.914 0.121 0.000 2.376 143 V HA 0.434 4.554 4.120 -0.000 0.000 0.287 143 V C 0.081 176.215 176.094 0.067 0.000 1.015 143 V CA -0.279 62.070 62.300 0.083 0.000 0.834 143 V CB 1.795 33.668 31.823 0.083 0.000 1.001 143 V HN 0.852 nan 8.190 nan 0.000 0.428 144 S N 4.532 120.308 115.700 0.126 0.000 2.429 144 S HA 0.593 5.063 4.470 -0.000 0.000 0.302 144 S C -0.402 174.210 174.600 0.020 0.000 1.115 144 S CA -0.467 57.830 58.200 0.161 0.000 1.095 144 S CB 1.075 64.504 63.200 0.381 0.000 0.987 144 S HN 0.478 nan 8.310 nan 0.000 0.474 145 V N 5.639 125.507 119.914 -0.078 0.000 2.461 145 V HA 0.273 4.393 4.120 -0.000 0.000 0.275 145 V C 0.598 176.757 176.094 0.108 0.000 1.047 145 V CA -0.749 61.545 62.300 -0.010 0.000 0.955 145 V CB 0.962 32.786 31.823 0.002 0.000 0.988 145 V HN 0.884 nan 8.190 nan 0.000 0.471 146 N N 4.189 122.923 118.700 0.058 0.000 3.298 146 N HA 0.181 4.921 4.740 -0.000 0.000 0.292 146 N C -0.297 175.230 175.510 0.029 0.000 1.271 146 N CA -0.527 52.536 53.050 0.021 0.000 1.184 146 N CB -0.253 38.226 38.487 -0.013 0.000 1.452 146 N HN 0.644 nan 8.380 nan 0.000 0.534 147 Y N -0.545 119.807 120.300 0.086 0.000 2.550 147 Y HA 0.311 4.861 4.550 -0.000 0.000 0.343 147 Y C 0.401 176.339 175.900 0.063 0.000 1.245 147 Y CA -1.013 57.129 58.100 0.071 0.000 1.462 147 Y CB 0.482 38.982 38.460 0.066 0.000 1.340 147 Y HN 0.057 nan 8.280 nan 0.000 0.604 148 R N 2.245 122.895 120.500 0.250 0.000 2.543 148 R HA 0.350 4.690 4.340 -0.000 0.000 0.277 148 R C -0.549 175.881 176.300 0.216 0.000 1.074 148 R CA -0.389 55.800 56.100 0.149 0.000 1.076 148 R CB 0.391 30.755 30.300 0.108 0.000 0.993 148 R HN 0.662 nan 8.270 nan 0.000 0.459 149 R N 1.072 121.630 120.500 0.097 0.000 2.598 149 R HA 0.514 4.854 4.340 -0.000 0.000 0.279 149 R C -0.412 175.915 176.300 0.046 0.000 0.984 149 R CA -0.451 55.700 56.100 0.086 0.000 0.999 149 R CB 1.650 31.923 30.300 -0.044 0.000 1.114 149 R HN 0.739 nan 8.270 nan 0.000 0.493 150 A N 2.953 125.810 122.820 0.062 0.000 2.271 150 A HA 0.403 4.723 4.320 -0.000 0.000 0.288 150 A C -1.710 175.797 177.584 -0.128 0.000 1.094 150 A CA -1.303 50.746 52.037 0.020 0.000 0.828 150 A CB 0.132 19.206 19.000 0.123 0.000 1.091 150 A HN 0.680 nan 8.150 nan 0.000 0.493 151 P HA -0.003 nan 4.420 nan 0.000 0.240 151 P C 0.357 177.636 177.300 -0.034 0.000 1.190 151 P CA 0.763 63.824 63.100 -0.064 0.000 0.781 151 P CB 0.311 31.961 31.700 -0.084 0.000 0.931 152 E N 0.501 120.696 120.200 -0.009 0.000 2.110 152 E HA -0.062 4.287 4.350 -0.000 0.000 0.193 152 E C 0.618 177.215 176.600 -0.006 0.000 0.988 152 E CA 0.959 57.363 56.400 0.007 0.000 0.804 152 E CB -0.322 29.397 29.700 0.031 0.000 0.745 152 E HN 0.295 nan 8.360 nan 0.000 0.458 153 N N 1.145 119.844 118.700 -0.001 0.000 2.762 153 N HA 0.170 4.910 4.740 -0.000 0.000 0.252 153 N C -2.655 172.854 175.510 -0.003 0.000 1.269 153 N CA -0.946 52.102 53.050 -0.003 0.000 0.799 153 N CB 1.666 40.169 38.487 0.025 0.000 1.173 153 N HN 0.090 nan 8.380 nan 0.000 0.516 154 P HA 0.050 nan 4.420 nan 0.000 0.297 154 P C -0.113 177.006 177.300 -0.302 0.000 1.303 154 P CA -0.392 62.625 63.100 -0.139 0.000 0.753 154 P CB 0.824 32.405 31.700 -0.198 0.000 1.281 155 Y N 2.003 121.759 120.300 -0.906 0.000 2.904 155 Y HA -0.009 4.541 4.550 -0.000 0.000 0.336 155 Y C -1.323 174.280 175.900 -0.494 0.000 1.263 155 Y CA -0.374 57.124 58.100 -1.003 0.000 1.547 155 Y CB -0.196 37.397 38.460 -1.445 0.000 1.272 155 Y HN 0.240 nan 8.280 nan 0.000 0.596 156 P HA 0.145 nan 4.420 nan 0.000 0.269 156 P C 0.762 177.771 177.300 -0.486 0.000 1.478 156 P CA 0.136 62.520 63.100 -1.193 0.000 1.045 156 P CB -0.245 30.696 31.700 -1.264 0.000 1.512 157 C N 0.913 120.032 119.300 -0.302 0.000 2.385 157 C HA -0.180 4.279 4.460 -0.000 0.000 0.275 157 C C 3.021 178.006 174.990 -0.009 0.000 1.207 157 C CA 1.879 60.834 59.018 -0.104 0.000 1.760 157 C CB -1.616 26.096 27.740 -0.047 0.000 2.051 157 C HN 0.357 nan 8.230 nan 0.000 0.467 158 A N -0.634 122.191 122.820 0.007 0.000 1.908 158 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 158 A C 1.932 179.562 177.584 0.077 0.000 1.181 158 A CA 1.810 53.883 52.037 0.059 0.000 0.627 158 A CB -0.822 18.200 19.000 0.036 0.000 0.818 158 A HN 0.634 nan 8.150 nan 0.000 0.445 159 Y N 0.681 120.973 120.300 -0.014 0.000 2.242 159 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 159 Y C 2.191 178.102 175.900 0.018 0.000 1.137 159 Y CA 0.662 58.735 58.100 -0.045 0.000 1.181 159 Y CB -0.989 37.457 38.460 -0.024 0.000 0.989 159 Y HN 0.335 nan 8.280 nan 0.000 0.527 160 D N 0.068 120.571 120.400 0.172 0.000 2.144 160 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 160 D C 1.601 178.037 176.300 0.226 0.000 0.984 160 D CA 1.427 55.534 54.000 0.178 0.000 0.834 160 D CB -0.269 40.580 40.800 0.082 0.000 0.955 160 D HN 0.320 nan 8.370 nan 0.000 0.465 161 D N 0.021 120.532 120.400 0.185 0.000 2.144 161 D HA -0.078 4.561 4.640 -0.000 0.000 0.199 161 D C 2.163 178.621 176.300 0.264 0.000 0.984 161 D CA 1.211 55.332 54.000 0.201 0.000 0.834 161 D CB -0.593 40.337 40.800 0.217 0.000 0.955 161 D HN 0.273 nan 8.370 nan 0.000 0.465 162 G N 0.048 109.018 108.800 0.284 0.000 2.408 162 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 162 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 162 G C 1.478 176.607 174.900 0.381 0.000 1.150 162 G CA 0.296 45.633 45.100 0.394 0.000 0.776 162 G HN 0.331 nan 8.290 nan 0.000 0.542 163 W N 1.031 122.401 121.300 0.116 0.000 2.379 163 W HA -0.071 4.589 4.660 -0.000 0.000 0.307 163 W C 2.192 178.780 176.519 0.113 0.000 1.200 163 W CA 0.802 58.202 57.345 0.092 0.000 1.297 163 W CB -0.109 29.385 29.460 0.056 0.000 1.140 163 W HN 0.191 nan 8.180 nan 0.000 0.507 164 I N 1.379 122.001 120.570 0.086 0.000 2.208 164 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 164 I C 2.723 178.841 176.117 0.001 0.000 1.097 164 I CA 1.647 62.931 61.300 -0.026 0.000 1.363 164 I CB -0.984 37.057 38.000 0.069 0.000 1.051 164 I HN -0.030 nan 8.210 nan 0.000 0.413 165 A N 0.607 123.477 122.820 0.083 0.000 1.930 165 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 165 A C 2.240 179.900 177.584 0.126 0.000 1.175 165 A CA 1.347 53.449 52.037 0.109 0.000 0.627 165 A CB -0.701 18.367 19.000 0.112 0.000 0.815 165 A HN 0.387 nan 8.150 nan 0.000 0.443 166 L N 0.537 121.796 121.223 0.061 0.000 2.046 166 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 166 L C 1.869 178.653 176.870 -0.143 0.000 1.077 166 L CA 2.136 56.971 54.840 -0.009 0.000 0.747 166 L CB -0.760 41.303 42.059 0.006 0.000 0.896 166 L HN 0.362 nan 8.230 nan 0.000 0.432 167 N N -1.186 117.329 118.700 -0.308 0.000 2.188 167 N HA -0.238 4.501 4.740 -0.000 0.000 0.184 167 N C 1.637 177.078 175.510 -0.114 0.000 1.018 167 N CA 1.634 54.493 53.050 -0.319 0.000 0.858 167 N CB -0.464 37.741 38.487 -0.470 0.000 0.989 167 N HN 0.578 nan 8.380 nan 0.000 0.426 168 W N 2.227 123.419 121.300 -0.179 0.000 2.355 168 W HA -0.149 4.511 4.660 -0.000 0.000 0.309 168 W C 2.117 178.556 176.519 -0.133 0.000 1.206 168 W CA 1.051 58.330 57.345 -0.111 0.000 1.284 168 W CB -0.516 28.908 29.460 -0.060 0.000 1.145 168 W HN -0.266 nan 8.180 nan 0.000 0.502 169 V N 1.133 121.087 119.914 0.067 0.000 2.295 169 V HA -0.364 3.756 4.120 -0.000 0.000 0.246 169 V C 2.097 178.009 176.094 -0.303 0.000 1.049 169 V CA 2.420 64.624 62.300 -0.160 0.000 1.024 169 V CB -1.304 30.530 31.823 0.020 0.000 0.648 169 V HN 0.321 nan 8.190 nan 0.000 0.447 170 N N 0.520 119.096 118.700 -0.207 0.000 2.364 170 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 170 N C 1.633 177.001 175.510 -0.236 0.000 1.022 170 N CA 1.380 54.310 53.050 -0.200 0.000 0.883 170 N CB -0.114 38.277 38.487 -0.160 0.000 0.965 170 N HN 0.583 nan 8.380 nan 0.000 0.438 171 S N -1.481 114.044 115.700 -0.291 0.000 2.577 171 S HA 0.254 4.724 4.470 -0.000 0.000 0.219 171 S C 0.224 174.601 174.600 -0.372 0.000 0.962 171 S CA -0.486 57.549 58.200 -0.275 0.000 0.921 171 S CB 0.134 63.205 63.200 -0.216 0.000 0.789 171 S HN 0.006 nan 8.310 nan 0.000 0.497 172 R N 2.916 123.075 120.500 -0.568 0.000 2.242 172 R HA 0.282 4.622 4.340 -0.000 0.000 0.334 172 R C 1.418 177.395 176.300 -0.537 0.000 1.071 172 R CA 0.336 55.978 56.100 -0.765 0.000 0.922 172 R CB 0.555 30.002 30.300 -1.422 0.000 1.023 172 R HN 0.550 nan 8.270 nan 0.000 0.458 173 S N 3.221 118.762 115.700 -0.264 0.000 2.382 173 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 173 S C 1.457 176.033 174.600 -0.040 0.000 1.027 173 S CA 0.640 58.783 58.200 -0.096 0.000 0.991 173 S CB -0.231 62.983 63.200 0.025 0.000 0.823 173 S HN 0.825 nan 8.310 nan 0.000 0.469 174 W N 1.142 122.405 121.300 -0.062 0.000 2.961 174 W HA 0.363 5.023 4.660 -0.000 0.000 0.240 174 W C 0.683 177.197 176.519 -0.009 0.000 1.305 174 W CA -0.296 57.035 57.345 -0.023 0.000 1.465 174 W CB -0.912 28.551 29.460 0.005 0.000 1.135 174 W HN 0.292 nan 8.180 nan 0.000 0.688 175 L N 0.797 121.814 121.223 -0.343 0.000 2.766 175 L HA 0.212 4.552 4.340 -0.000 0.000 0.242 175 L C 0.780 177.555 176.870 -0.159 0.000 1.136 175 L CA -0.028 54.635 54.840 -0.294 0.000 0.933 175 L CB -0.093 41.639 42.059 -0.545 0.000 1.241 175 L HN -0.307 nan 8.230 nan 0.000 0.522 176 K N 0.707 121.037 120.400 -0.117 0.000 2.350 176 K HA 0.206 4.526 4.320 -0.000 0.000 0.279 176 K C 0.178 176.743 176.600 -0.059 0.000 1.027 176 K CA -0.138 56.106 56.287 -0.071 0.000 0.969 176 K CB 1.114 33.583 32.500 -0.051 0.000 0.954 176 K HN -0.067 nan 8.250 nan 0.000 0.474 177 S N 1.981 117.629 115.700 -0.087 0.000 2.565 177 S HA 0.124 4.593 4.470 -0.000 0.000 0.274 177 S C 1.520 176.081 174.600 -0.065 0.000 1.309 177 S CA -0.366 57.742 58.200 -0.153 0.000 1.043 177 S CB 1.539 64.462 63.200 -0.463 0.000 0.939 177 S HN 0.707 nan 8.310 nan 0.000 0.504 178 K N 3.128 123.498 120.400 -0.050 0.000 2.057 178 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 178 K C 1.881 178.480 176.600 -0.001 0.000 1.049 178 K CA 2.105 58.382 56.287 -0.016 0.000 0.931 178 K CB -0.918 31.576 32.500 -0.010 0.000 0.714 178 K HN 0.682 nan 8.250 nan 0.000 0.440 179 K N 1.256 121.657 120.400 0.001 0.000 2.001 179 K HA -0.233 4.087 4.320 -0.000 0.000 0.223 179 K C 1.054 177.683 176.600 0.049 0.000 1.055 179 K CA 2.504 58.812 56.287 0.034 0.000 0.965 179 K CB -0.289 32.251 32.500 0.067 0.000 0.730 179 K HN 0.606 nan 8.250 nan 0.000 0.449 180 D N -1.317 119.136 120.400 0.087 0.000 2.440 180 D HA 0.129 4.769 4.640 -0.000 0.000 0.216 180 D C -0.415 175.913 176.300 0.047 0.000 1.150 180 D CA 0.051 54.091 54.000 0.066 0.000 0.832 180 D CB 0.759 41.602 40.800 0.072 0.000 0.992 180 D HN 0.215 nan 8.370 nan 0.000 0.502 181 S N -0.707 115.015 115.700 0.037 0.000 3.521 181 S HA -0.228 4.242 4.470 -0.000 0.000 0.328 181 S C 0.008 174.616 174.600 0.013 0.000 1.165 181 S CA 0.811 59.020 58.200 0.014 0.000 0.941 181 S CB -1.559 61.643 63.200 0.004 0.000 0.951 181 S HN 0.563 nan 8.310 nan 0.000 0.539 182 K N -0.010 120.423 120.400 0.055 0.000 2.340 182 K HA 0.653 4.973 4.320 -0.000 0.000 0.244 182 K C -0.300 176.369 176.600 0.115 0.000 0.973 182 K CA -0.956 55.361 56.287 0.049 0.000 0.828 182 K CB 1.809 34.324 32.500 0.024 0.000 1.226 182 K HN -0.010 nan 8.250 nan 0.000 0.437 183 V N 2.562 122.496 119.914 0.033 0.000 2.432 183 V HA 0.063 4.183 4.120 -0.000 0.000 0.271 183 V C -0.050 176.108 176.094 0.105 0.000 1.046 183 V CA -0.364 61.950 62.300 0.024 0.000 0.945 183 V CB 0.176 31.942 31.823 -0.095 0.000 0.992 183 V HN 0.641 nan 8.190 nan 0.000 0.471 184 H N 5.769 124.784 119.070 -0.091 0.000 2.969 184 H HA 0.379 4.935 4.556 -0.000 0.000 0.269 184 H C -0.294 174.937 175.328 -0.162 0.000 1.223 184 H CA -0.392 55.576 56.048 -0.134 0.000 1.400 184 H CB 0.560 30.300 29.762 -0.036 0.000 1.500 184 H HN 0.506 nan 8.280 nan 0.000 0.486 185 I N 4.040 124.494 120.570 -0.193 0.000 2.353 185 I HA 0.185 4.355 4.170 -0.000 0.000 0.293 185 I C -0.496 175.395 176.117 -0.377 0.000 0.992 185 I CA -0.337 60.865 61.300 -0.163 0.000 1.268 185 I CB 0.849 38.788 38.000 -0.101 0.000 1.387 185 I HN 0.316 nan 8.210 nan 0.000 0.478 186 F N 5.724 125.708 119.950 0.056 0.000 2.529 186 F HA 0.527 5.054 4.527 -0.000 0.000 0.320 186 F C -0.271 175.597 175.800 0.114 0.000 1.118 186 F CA -0.567 57.487 58.000 0.090 0.000 0.915 186 F CB 1.659 40.730 39.000 0.118 0.000 1.161 186 F HN 0.137 nan 8.300 nan 0.000 0.445 187 L N 3.361 124.765 121.223 0.301 0.000 2.307 187 L HA 0.877 5.217 4.340 -0.000 0.000 0.282 187 L C -0.207 176.836 176.870 0.287 0.000 1.051 187 L CA -0.682 54.325 54.840 0.278 0.000 0.804 187 L CB 1.492 43.700 42.059 0.247 0.000 1.197 187 L HN 0.766 nan 8.230 nan 0.000 0.431 188 A N 1.963 124.946 122.820 0.272 0.000 2.539 188 A HA 0.969 5.289 4.320 -0.000 0.000 0.296 188 A C -0.556 177.114 177.584 0.144 0.000 1.073 188 A CA -0.215 51.969 52.037 0.245 0.000 0.700 188 A CB 2.115 21.300 19.000 0.308 0.000 1.296 188 A HN 0.787 nan 8.150 nan 0.000 0.405 189 G N 0.882 109.705 108.800 0.038 0.000 2.596 189 G HA2 0.537 4.496 3.960 -0.000 0.000 0.296 189 G HA3 0.537 4.496 3.960 -0.000 0.000 0.296 189 G C -2.017 172.778 174.900 -0.175 0.000 1.513 189 G CA -0.191 44.760 45.100 -0.247 0.000 0.851 189 G HN 1.027 nan 8.290 nan 0.000 0.548 190 D N -0.069 120.202 120.400 -0.216 0.000 2.269 190 D HA 0.736 5.376 4.640 -0.000 0.000 0.244 190 D C 0.798 176.979 176.300 -0.198 0.000 0.992 190 D CA 0.316 54.212 54.000 -0.174 0.000 0.894 190 D CB 1.806 42.521 40.800 -0.142 0.000 1.248 190 D HN 1.154 nan 8.370 nan 0.000 0.468 191 S N 1.639 117.237 115.700 -0.171 0.000 3.938 191 S HA -0.351 4.119 4.470 -0.000 0.000 0.624 191 S C 1.612 175.925 174.600 -0.479 0.000 2.186 191 S CA 2.725 60.772 58.200 -0.255 0.000 4.144 191 S CB -1.852 61.239 63.200 -0.182 0.000 0.230 191 S HN 1.163 nan 8.310 nan 0.000 0.755 192 S N 1.372 116.669 115.700 -0.672 0.000 2.419 192 S HA 0.048 4.518 4.470 -0.000 0.000 0.235 192 S C 2.137 176.161 174.600 -0.959 0.000 1.019 192 S CA 1.794 59.284 58.200 -1.183 0.000 0.982 192 S CB -1.550 60.491 63.200 -1.932 0.000 0.789 192 S HN 1.591 nan 8.310 nan 0.000 0.490 193 G N 1.386 109.783 108.800 -0.673 0.000 2.432 193 G HA2 0.118 4.078 3.960 -0.000 0.000 0.219 193 G HA3 0.118 4.078 3.960 -0.000 0.000 0.219 193 G C 1.353 176.007 174.900 -0.410 0.000 1.135 193 G CA 0.548 45.319 45.100 -0.550 0.000 0.767 193 G HN 0.642 nan 8.290 nan 0.000 0.550 194 G N 0.742 109.312 108.800 -0.384 0.000 2.403 194 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 194 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 194 G C 1.704 176.431 174.900 -0.288 0.000 1.154 194 G CA 1.024 45.956 45.100 -0.280 0.000 0.784 194 G HN 0.454 nan 8.290 nan 0.000 0.538 195 N N 1.100 119.531 118.700 -0.448 0.000 2.120 195 N HA -0.075 4.665 4.740 -0.000 0.000 0.188 195 N C 2.288 177.787 175.510 -0.018 0.000 1.024 195 N CA 1.028 53.931 53.050 -0.244 0.000 0.852 195 N CB -0.243 38.145 38.487 -0.165 0.000 1.003 195 N HN 0.382 nan 8.380 nan 0.000 0.424 196 I N 1.133 121.578 120.570 -0.209 0.000 2.226 196 I HA -0.226 3.943 4.170 -0.000 0.000 0.245 196 I C 2.521 178.347 176.117 -0.485 0.000 1.100 196 I CA 1.076 62.158 61.300 -0.363 0.000 1.374 196 I CB -0.393 37.124 38.000 -0.805 0.000 1.057 196 I HN 0.126 nan 8.210 nan 0.000 0.413 197 A N 0.298 122.909 122.820 -0.349 0.000 1.883 197 A HA -0.324 3.996 4.320 -0.000 0.000 0.217 197 A C 2.195 179.794 177.584 0.025 0.000 1.186 197 A CA 2.279 54.257 52.037 -0.099 0.000 0.624 197 A CB -1.056 17.997 19.000 0.089 0.000 0.822 197 A HN 0.551 nan 8.150 nan 0.000 0.444 198 H N 0.473 119.576 119.070 0.056 0.000 2.290 198 H HA -0.108 4.447 4.556 -0.000 0.000 0.298 198 H C 1.985 177.371 175.328 0.096 0.000 1.087 198 H CA 2.232 58.418 56.048 0.230 0.000 1.291 198 H CB -0.147 29.822 29.762 0.346 0.000 1.369 198 H HN 0.454 nan 8.280 nan 0.000 0.492 199 N N -0.162 118.446 118.700 -0.152 0.000 2.244 199 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 199 N C 1.981 177.291 175.510 -0.334 0.000 1.016 199 N CA 1.202 54.013 53.050 -0.397 0.000 0.866 199 N CB 0.061 37.979 38.487 -0.947 0.000 0.980 199 N HN 0.244 nan 8.380 nan 0.000 0.430 200 V N 1.649 121.412 119.914 -0.252 0.000 2.453 200 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 200 V C 2.466 178.558 176.094 -0.005 0.000 1.048 200 V CA 1.520 63.774 62.300 -0.076 0.000 1.049 200 V CB -0.707 31.105 31.823 -0.019 0.000 0.672 200 V HN 0.239 nan 8.190 nan 0.000 0.457 201 A N -0.091 122.701 122.820 -0.047 0.000 1.933 201 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 201 A C 2.207 179.776 177.584 -0.026 0.000 1.175 201 A CA 1.665 53.658 52.037 -0.072 0.000 0.628 201 A CB -0.494 18.373 19.000 -0.222 0.000 0.814 201 A HN 0.496 nan 8.150 nan 0.000 0.444 202 L N -1.264 119.941 121.223 -0.030 0.000 2.017 202 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 202 L C 2.821 179.637 176.870 -0.089 0.000 1.073 202 L CA 1.890 56.710 54.840 -0.032 0.000 0.745 202 L CB -0.454 41.512 42.059 -0.156 0.000 0.894 202 L HN 0.440 nan 8.230 nan 0.000 0.432 203 R N 0.047 120.445 120.500 -0.170 0.000 2.115 203 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 203 R C 2.327 178.482 176.300 -0.242 0.000 1.111 203 R CA 1.170 57.069 56.100 -0.334 0.000 0.976 203 R CB -0.147 29.798 30.300 -0.592 0.000 0.870 203 R HN 0.346 nan 8.270 nan 0.000 0.445 204 A N 0.200 123.042 122.820 0.036 0.000 1.877 204 A HA -0.071 4.248 4.320 -0.000 0.000 0.216 204 A C 2.335 179.982 177.584 0.105 0.000 1.186 204 A CA 1.659 53.842 52.037 0.242 0.000 0.620 204 A CB -1.299 17.820 19.000 0.198 0.000 0.822 204 A HN 0.544 nan 8.150 nan 0.000 0.443 205 G N -0.500 108.322 108.800 0.037 0.000 2.450 205 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 205 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 205 G C 1.294 176.205 174.900 0.018 0.000 1.130 205 G CA 0.951 46.068 45.100 0.029 0.000 0.760 205 G HN 0.687 nan 8.290 nan 0.000 0.557 206 E N 0.040 120.231 120.200 -0.014 0.000 2.482 206 E HA 0.099 4.449 4.350 -0.000 0.000 0.196 206 E C 1.044 177.641 176.600 -0.005 0.000 1.047 206 E CA -0.002 56.379 56.400 -0.032 0.000 0.869 206 E CB 0.265 29.911 29.700 -0.089 0.000 0.836 206 E HN 0.354 nan 8.360 nan 0.000 0.520 207 S N -1.137 114.593 115.700 0.050 0.000 3.012 207 S HA 0.413 4.883 4.470 -0.000 0.000 0.254 207 S C 1.023 175.682 174.600 0.098 0.000 1.030 207 S CA -0.358 57.914 58.200 0.120 0.000 1.053 207 S CB 1.021 64.412 63.200 0.318 0.000 1.286 207 S HN 0.220 nan 8.310 nan 0.000 0.633 208 G N 0.392 109.258 108.800 0.110 0.000 3.502 208 G HA2 0.371 4.331 3.960 -0.000 0.000 0.267 208 G HA3 0.371 4.331 3.960 -0.000 0.000 0.267 208 G C -0.145 174.777 174.900 0.036 0.000 1.090 208 G CA -0.127 45.006 45.100 0.055 0.000 0.795 208 G HN 0.421 nan 8.290 nan 0.000 0.535 209 I N 1.130 121.740 120.570 0.067 0.000 2.321 209 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 209 I C -1.014 175.103 176.117 -0.000 0.000 0.998 209 I CA -0.792 60.523 61.300 0.024 0.000 1.227 209 I CB 1.860 39.884 38.000 0.041 0.000 1.368 209 I HN -0.140 nan 8.210 nan 0.000 0.466 210 D N 7.070 127.438 120.400 -0.054 0.000 2.443 210 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 210 D C -0.545 175.668 176.300 -0.146 0.000 1.097 210 D CA -0.312 53.634 54.000 -0.090 0.000 0.865 210 D CB 1.264 42.002 40.800 -0.103 0.000 1.034 210 D HN 0.092 nan 8.370 nan 0.000 0.511 211 V N 5.595 125.421 119.914 -0.147 0.000 2.555 211 V HA 0.073 4.192 4.120 -0.000 0.000 0.286 211 V C 1.770 177.692 176.094 -0.287 0.000 1.044 211 V CA -0.250 61.927 62.300 -0.204 0.000 1.026 211 V CB 1.419 33.153 31.823 -0.148 0.000 0.981 211 V HN 0.565 nan 8.190 nan 0.000 0.480 212 L N 3.773 124.707 121.223 -0.483 0.000 2.313 212 L HA 0.350 4.690 4.340 -0.000 0.000 0.214 212 L C 1.027 177.685 176.870 -0.353 0.000 1.119 212 L CA 0.953 55.450 54.840 -0.571 0.000 0.809 212 L CB -0.274 41.168 42.059 -1.028 0.000 0.933 212 L HN 0.852 nan 8.230 nan 0.000 0.449 213 G N -0.953 107.747 108.800 -0.166 0.000 2.411 213 G HA2 0.255 4.215 3.960 -0.000 0.000 0.295 213 G HA3 0.255 4.215 3.960 -0.000 0.000 0.295 213 G C -1.855 173.321 174.900 0.461 0.000 1.542 213 G CA -0.705 44.570 45.100 0.292 0.000 0.814 213 G HN -0.142 nan 8.290 nan 0.000 0.557 214 N N -0.396 118.591 118.700 0.478 0.000 2.321 214 N HA 0.668 5.408 4.740 -0.000 0.000 0.299 214 N C -0.860 174.808 175.510 0.263 0.000 1.048 214 N CA -0.480 52.771 53.050 0.334 0.000 0.836 214 N CB 2.165 40.791 38.487 0.232 0.000 1.269 214 N HN 0.448 nan 8.380 nan 0.000 0.486 215 I N 2.291 122.972 120.570 0.185 0.000 2.411 215 I HA 0.283 4.453 4.170 -0.000 0.000 0.284 215 I C -1.009 175.138 176.117 0.050 0.000 1.012 215 I CA -0.625 60.687 61.300 0.019 0.000 1.119 215 I CB 1.104 39.118 38.000 0.024 0.000 1.261 215 I HN 0.106 nan 8.210 nan 0.000 0.448 216 L N 7.548 128.792 121.223 0.035 0.000 2.298 216 L HA 0.490 4.830 4.340 -0.000 0.000 0.284 216 L C -0.443 176.419 176.870 -0.013 0.000 1.013 216 L CA -0.192 54.659 54.840 0.019 0.000 0.824 216 L CB 1.340 43.441 42.059 0.070 0.000 1.221 216 L HN 0.422 nan 8.230 nan 0.000 0.418 217 L N 4.725 125.901 121.223 -0.079 0.000 2.276 217 L HA 0.420 4.760 4.340 -0.000 0.000 0.286 217 L C -0.019 176.822 176.870 -0.048 0.000 1.024 217 L CA -0.814 53.965 54.840 -0.101 0.000 0.826 217 L CB 0.691 42.518 42.059 -0.388 0.000 1.211 217 L HN 0.619 nan 8.230 nan 0.000 0.422 218 N N 1.911 120.661 118.700 0.082 0.000 2.699 218 N HA -0.137 4.603 4.740 -0.000 0.000 0.256 218 N C -2.345 173.148 175.510 -0.028 0.000 0.993 218 N CA 0.292 53.404 53.050 0.105 0.000 0.759 218 N CB -1.208 37.401 38.487 0.203 0.000 0.906 218 N HN 0.444 nan 8.380 nan 0.000 0.541 219 P HA -0.090 nan 4.420 nan 0.000 0.265 219 P C 0.290 177.313 177.300 -0.462 0.000 1.193 219 P CA 0.047 62.920 63.100 -0.378 0.000 0.765 219 P CB 0.658 32.084 31.700 -0.457 0.000 0.823 220 M N 4.328 123.575 119.600 -0.588 0.000 2.264 220 M HA 0.292 4.772 4.480 -0.000 0.000 0.340 220 M C -1.509 174.623 176.300 -0.280 0.000 1.420 220 M CA 0.009 55.102 55.300 -0.345 0.000 1.254 220 M CB -0.675 31.696 32.600 -0.383 0.000 1.575 220 M HN 0.179 nan 8.290 nan 0.000 0.452 221 F N 2.094 122.219 119.950 0.292 0.000 2.620 221 F HA 0.913 5.440 4.527 -0.000 0.000 0.320 221 F C 0.484 176.267 175.800 -0.028 0.000 1.069 221 F CA -0.726 57.387 58.000 0.187 0.000 0.953 221 F CB 1.959 40.990 39.000 0.052 0.000 1.322 221 F HN 0.566 nan 8.300 nan 0.000 0.479 222 G N -0.861 107.664 108.800 -0.458 0.000 2.664 222 G HA2 0.686 4.646 3.960 -0.000 0.000 0.303 222 G HA3 0.686 4.646 3.960 -0.000 0.000 0.303 222 G C -1.100 172.658 174.900 -1.903 0.000 1.243 222 G CA -0.229 44.044 45.100 -1.379 0.000 0.826 222 G HN 1.168 nan 8.290 nan 0.000 0.498 223 G N -1.593 106.317 108.800 -1.483 0.000 2.349 223 G HA2 0.397 4.357 3.960 -0.000 0.000 0.294 223 G HA3 0.397 4.357 3.960 -0.000 0.000 0.294 223 G C -0.126 174.636 174.900 -0.229 0.000 1.380 223 G CA -0.032 44.557 45.100 -0.850 0.000 0.811 223 G HN 0.442 nan 8.290 nan 0.000 0.519 224 N N -0.145 118.529 118.700 -0.044 0.000 2.188 224 N HA -0.044 4.696 4.740 -0.000 0.000 0.184 224 N C 1.000 176.606 175.510 0.159 0.000 1.018 224 N CA 1.064 54.137 53.050 0.038 0.000 0.858 224 N CB 0.005 38.508 38.487 0.026 0.000 0.989 224 N HN 0.740 nan 8.380 nan 0.000 0.426 225 E N 1.224 121.593 120.200 0.281 0.000 2.398 225 E HA -0.004 4.346 4.350 -0.000 0.000 0.263 225 E C -0.438 176.360 176.600 0.331 0.000 1.046 225 E CA -0.392 56.167 56.400 0.266 0.000 0.908 225 E CB 0.564 30.392 29.700 0.214 0.000 0.963 225 E HN -0.070 nan 8.360 nan 0.000 0.431 226 R N 3.327 123.942 120.500 0.191 0.000 2.230 226 R HA 0.146 4.486 4.340 -0.000 0.000 0.337 226 R C -0.189 176.159 176.300 0.080 0.000 1.063 226 R CA -0.270 55.938 56.100 0.179 0.000 0.935 226 R CB 0.324 30.703 30.300 0.131 0.000 1.121 226 R HN 0.671 nan 8.270 nan 0.000 0.486 227 T N -0.902 113.666 114.554 0.024 0.000 2.748 227 T HA 0.063 4.412 4.350 -0.000 0.000 0.304 227 T C 1.249 175.921 174.700 -0.046 0.000 1.041 227 T CA -0.580 61.432 62.100 -0.146 0.000 1.033 227 T CB 1.112 69.748 68.868 -0.387 0.000 0.995 227 T HN 0.347 nan 8.240 nan 0.000 0.536 228 E N 0.782 120.943 120.200 -0.066 0.000 2.110 228 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 228 E C 2.595 179.203 176.600 0.014 0.000 0.988 228 E CA 1.625 58.015 56.400 -0.017 0.000 0.804 228 E CB -0.727 28.958 29.700 -0.025 0.000 0.745 228 E HN 0.873 nan 8.360 nan 0.000 0.458 229 S N 0.733 116.438 115.700 0.007 0.000 2.402 229 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 229 S C 1.885 176.541 174.600 0.095 0.000 1.021 229 S CA 0.993 59.225 58.200 0.054 0.000 0.974 229 S CB -0.230 63.001 63.200 0.052 0.000 0.800 229 S HN 0.229 nan 8.310 nan 0.000 0.484 230 E N 1.486 121.748 120.200 0.104 0.000 2.072 230 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 230 E C 2.221 178.895 176.600 0.122 0.000 0.985 230 E CA 1.162 57.654 56.400 0.152 0.000 0.801 230 E CB -0.092 29.730 29.700 0.203 0.000 0.750 230 E HN 0.596 nan 8.360 nan 0.000 0.452 231 K N 0.382 120.837 120.400 0.092 0.000 2.103 231 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 231 K C 2.443 179.084 176.600 0.068 0.000 1.052 231 K CA 1.465 57.798 56.287 0.076 0.000 0.945 231 K CB -0.032 32.503 32.500 0.058 0.000 0.722 231 K HN 0.069 nan 8.250 nan 0.000 0.443 232 S N 0.701 116.442 115.700 0.068 0.000 2.425 232 S HA 0.009 4.479 4.470 -0.000 0.000 0.225 232 S C 1.778 176.428 174.600 0.084 0.000 1.024 232 S CA 0.529 58.769 58.200 0.067 0.000 0.951 232 S CB -0.150 63.088 63.200 0.064 0.000 0.796 232 S HN 0.166 nan 8.310 nan 0.000 0.498 233 L N 1.264 122.553 121.223 0.111 0.000 2.640 233 L HA 0.301 4.641 4.340 -0.000 0.000 0.230 233 L C 0.284 177.215 176.870 0.102 0.000 1.123 233 L CA -0.221 54.705 54.840 0.143 0.000 0.900 233 L CB -0.304 41.886 42.059 0.218 0.000 1.146 233 L HN 0.184 nan 8.230 nan 0.000 0.484 234 D N 1.401 121.855 120.400 0.091 0.000 2.581 234 D HA 0.044 4.684 4.640 -0.000 0.000 0.238 234 D C 1.413 177.735 176.300 0.036 0.000 1.145 234 D CA 1.441 55.491 54.000 0.083 0.000 0.866 234 D CB 0.673 41.524 40.800 0.085 0.000 1.151 234 D HN 0.343 nan 8.370 nan 0.000 0.500 235 G N 4.026 112.849 108.800 0.038 0.000 2.189 235 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.267 235 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.267 235 G C 1.247 176.082 174.900 -0.107 0.000 0.975 235 G CA 0.908 46.005 45.100 -0.006 0.000 0.644 235 G HN 0.600 nan 8.290 nan 0.000 0.537 236 K N -1.262 119.023 120.400 -0.192 0.000 2.186 236 K HA 0.174 4.494 4.320 -0.000 0.000 0.202 236 K C 0.183 176.257 176.600 -0.877 0.000 1.052 236 K CA 0.930 56.906 56.287 -0.520 0.000 0.965 236 K CB 0.249 32.376 32.500 -0.621 0.000 0.746 236 K HN 0.464 nan 8.250 nan 0.000 0.457 237 Y N -0.021 120.171 120.300 -0.180 0.000 2.511 237 Y HA 0.180 4.730 4.550 -0.000 0.000 0.356 237 Y C -0.486 175.188 175.900 -0.377 0.000 1.002 237 Y CA -1.156 56.680 58.100 -0.441 0.000 1.127 237 Y CB -0.097 38.235 38.460 -0.213 0.000 1.137 237 Y HN -0.017 nan 8.280 nan 0.000 0.652 238 F N -2.434 117.561 119.950 0.075 0.000 2.582 238 F HA -0.324 4.203 4.527 -0.000 0.000 0.606 238 F C 0.142 175.960 175.800 0.029 0.000 0.501 238 F CA 0.242 58.243 58.000 0.001 0.000 0.880 238 F CB -1.415 37.566 39.000 -0.031 0.000 1.700 238 F HN 0.001 nan 8.300 nan 0.000 0.259 239 V N 0.723 120.777 119.914 0.232 0.000 2.612 239 V HA 0.701 4.821 4.120 -0.000 0.000 0.301 239 V C 0.384 176.574 176.094 0.158 0.000 1.046 239 V CA -0.104 62.313 62.300 0.196 0.000 0.946 239 V CB 1.808 33.757 31.823 0.210 0.000 1.003 239 V HN 0.365 nan 8.190 nan 0.000 0.459 240 T N -0.141 114.511 114.554 0.163 0.000 2.908 240 T HA 0.515 4.865 4.350 -0.000 0.000 0.290 240 T C 0.674 175.482 174.700 0.179 0.000 1.034 240 T CA -0.582 61.606 62.100 0.145 0.000 1.010 240 T CB 1.746 70.685 68.868 0.117 0.000 1.068 240 T HN 0.134 nan 8.240 nan 0.000 0.481 241 V N 1.665 121.682 119.914 0.172 0.000 2.490 241 V HA -0.098 4.022 4.120 -0.000 0.000 0.250 241 V C 2.940 179.156 176.094 0.203 0.000 1.061 241 V CA 2.108 64.529 62.300 0.202 0.000 1.064 241 V CB -0.964 30.968 31.823 0.182 0.000 0.670 241 V HN 0.976 nan 8.190 nan 0.000 0.461 242 R N 1.387 121.987 120.500 0.166 0.000 2.083 242 R HA -0.246 4.093 4.340 -0.000 0.000 0.237 242 R C 2.068 178.480 176.300 0.188 0.000 1.137 242 R CA 2.481 58.678 56.100 0.162 0.000 0.951 242 R CB -0.443 29.930 30.300 0.123 0.000 0.851 242 R HN 0.789 nan 8.270 nan 0.000 0.434 243 D N -0.595 119.909 120.400 0.173 0.000 2.183 243 D HA -0.147 4.493 4.640 -0.000 0.000 0.203 243 D C 1.653 178.124 176.300 0.284 0.000 0.969 243 D CA 0.524 54.620 54.000 0.160 0.000 0.842 243 D CB -0.076 40.830 40.800 0.178 0.000 0.957 243 D HN 0.060 nan 8.370 nan 0.000 0.484 244 R N 0.737 121.426 120.500 0.315 0.000 2.083 244 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 244 R C 1.557 178.076 176.300 0.366 0.000 1.137 244 R CA 1.434 57.735 56.100 0.335 0.000 0.951 244 R CB -0.925 29.583 30.300 0.348 0.000 0.851 244 R HN 0.363 nan 8.270 nan 0.000 0.434 245 D N -0.631 119.980 120.400 0.351 0.000 2.149 245 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 245 D C 1.685 178.147 176.300 0.271 0.000 0.990 245 D CA 0.777 54.975 54.000 0.330 0.000 0.839 245 D CB -0.379 40.562 40.800 0.235 0.000 0.948 245 D HN 0.288 nan 8.370 nan 0.000 0.460 246 W N 0.307 121.619 121.300 0.020 0.000 2.355 246 W HA -0.267 4.393 4.660 -0.000 0.000 0.309 246 W C 1.959 178.392 176.519 -0.143 0.000 1.206 246 W CA 1.320 58.599 57.345 -0.110 0.000 1.284 246 W CB -0.405 28.894 29.460 -0.268 0.000 1.145 246 W HN -0.035 nan 8.180 nan 0.000 0.502 247 Y N -1.370 119.203 120.300 0.455 0.000 2.242 247 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 247 Y C 2.100 178.011 175.900 0.018 0.000 1.137 247 Y CA 1.693 59.927 58.100 0.223 0.000 1.181 247 Y CB -1.410 37.075 38.460 0.042 0.000 0.989 247 Y HN -0.007 nan 8.280 nan 0.000 0.527 248 W N 0.443 121.892 121.300 0.249 0.000 2.358 248 W HA -0.178 4.482 4.660 -0.000 0.000 0.303 248 W C 2.579 179.097 176.519 -0.002 0.000 1.208 248 W CA 1.252 58.675 57.345 0.129 0.000 1.274 248 W CB -0.236 29.272 29.460 0.081 0.000 1.138 248 W HN -0.102 nan 8.180 nan 0.000 0.515 249 K N 0.448 120.928 120.400 0.133 0.000 2.147 249 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 249 K C 2.088 178.572 176.600 -0.194 0.000 1.049 249 K CA 1.425 57.667 56.287 -0.074 0.000 0.936 249 K CB -0.268 32.130 32.500 -0.170 0.000 0.722 249 K HN 0.088 nan 8.250 nan 0.000 0.446 250 A N 0.117 122.769 122.820 -0.281 0.000 1.968 250 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 250 A C 1.830 179.359 177.584 -0.092 0.000 1.169 250 A CA 0.824 52.674 52.037 -0.311 0.000 0.638 250 A CB -0.465 18.249 19.000 -0.477 0.000 0.812 250 A HN 0.483 nan 8.150 nan 0.000 0.446 251 F N 0.243 120.091 119.950 -0.171 0.000 2.262 251 F HA 0.327 4.854 4.527 -0.000 0.000 0.292 251 F C 0.648 176.309 175.800 -0.231 0.000 1.081 251 F CA -0.153 57.708 58.000 -0.233 0.000 1.355 251 F CB -0.205 38.571 39.000 -0.374 0.000 1.069 251 F HN -0.009 nan 8.300 nan 0.000 0.506 252 L N 1.670 122.706 121.223 -0.312 0.000 2.464 252 L HA 0.216 4.556 4.340 -0.000 0.000 0.264 252 L C -1.958 174.667 176.870 -0.408 0.000 1.199 252 L CA -1.984 52.540 54.840 -0.526 0.000 0.818 252 L CB -0.301 41.554 42.059 -0.340 0.000 1.102 252 L HN -0.078 nan 8.230 nan 0.000 0.473 253 P HA -0.012 nan 4.420 nan 0.000 0.268 253 P C -0.738 176.456 177.300 -0.177 0.000 1.208 253 P CA -0.226 62.731 63.100 -0.239 0.000 0.777 253 P CB 0.346 31.936 31.700 -0.183 0.000 0.875 254 E N 1.280 121.404 120.200 -0.127 0.000 2.465 254 E HA 0.141 4.491 4.350 -0.000 0.000 0.260 254 E C 1.531 178.082 176.600 -0.082 0.000 0.980 254 E CA 1.332 57.671 56.400 -0.100 0.000 0.927 254 E CB -0.161 29.492 29.700 -0.079 0.000 0.934 254 E HN 0.794 nan 8.360 nan 0.000 0.459 255 G N 2.952 111.707 108.800 -0.075 0.000 2.199 255 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 255 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 255 G C 0.383 175.247 174.900 -0.060 0.000 0.982 255 G CA 0.212 45.277 45.100 -0.058 0.000 0.632 255 G HN 0.450 nan 8.290 nan 0.000 0.529 256 E N 1.309 121.459 120.200 -0.083 0.000 2.312 256 E HA 0.506 4.856 4.350 -0.000 0.000 0.259 256 E C 0.223 176.773 176.600 -0.083 0.000 1.122 256 E CA 0.305 56.657 56.400 -0.080 0.000 0.922 256 E CB 1.176 30.799 29.700 -0.128 0.000 1.109 256 E HN 0.586 nan 8.360 nan 0.000 0.442 257 D N -1.522 118.833 120.400 -0.075 0.000 2.654 257 D HA 0.224 4.864 4.640 -0.000 0.000 0.255 257 D C 0.338 176.556 176.300 -0.136 0.000 1.101 257 D CA -0.683 53.266 54.000 -0.086 0.000 1.116 257 D CB 0.489 41.252 40.800 -0.062 0.000 1.348 257 D HN 0.137 nan 8.370 nan 0.000 0.609 258 R N -0.603 119.785 120.500 -0.187 0.000 2.339 258 R HA 0.032 4.372 4.340 -0.000 0.000 0.199 258 R C 0.358 176.466 176.300 -0.321 0.000 1.018 258 R CA 0.399 56.289 56.100 -0.349 0.000 1.036 258 R CB 0.059 30.092 30.300 -0.445 0.000 0.899 258 R HN 0.409 nan 8.270 nan 0.000 0.473 259 E N 0.038 120.129 120.200 -0.182 0.000 2.479 259 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 259 E C 0.016 176.537 176.600 -0.132 0.000 1.049 259 E CA 0.074 56.386 56.400 -0.147 0.000 0.870 259 E CB -0.027 29.620 29.700 -0.087 0.000 0.944 259 E HN 0.307 nan 8.360 nan 0.000 0.492 260 H N 1.649 120.577 119.070 -0.237 0.000 2.848 260 H HA 0.020 4.576 4.556 -0.000 0.000 0.341 260 H C -1.730 173.459 175.328 -0.232 0.000 1.060 260 H CA -1.352 54.552 56.048 -0.240 0.000 1.444 260 H CB 1.452 31.031 29.762 -0.306 0.000 1.446 260 H HN -0.215 nan 8.280 nan 0.000 0.583 261 P HA -0.143 nan 4.420 nan 0.000 0.218 261 P C 0.958 178.301 177.300 0.071 0.000 1.146 261 P CA 2.007 65.025 63.100 -0.137 0.000 0.813 261 P CB 0.068 31.645 31.700 -0.205 0.000 0.778 262 A N -1.783 121.222 122.820 0.308 0.000 2.015 262 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 262 A C 2.337 180.124 177.584 0.339 0.000 1.163 262 A CA 1.567 53.842 52.037 0.398 0.000 0.646 262 A CB -1.623 17.445 19.000 0.114 0.000 0.806 262 A HN 0.330 nan 8.150 nan 0.000 0.448 263 C N -0.948 118.352 119.300 0.001 0.000 2.520 263 C HA 0.237 4.697 4.460 -0.000 0.000 0.291 263 C C 0.844 175.646 174.990 -0.314 0.000 1.364 263 C CA 0.671 59.409 59.018 -0.467 0.000 1.781 263 C CB -0.625 26.547 27.740 -0.946 0.000 2.171 263 C HN 0.540 nan 8.230 nan 0.000 0.516 264 N N 0.837 119.371 118.700 -0.276 0.000 2.706 264 N HA 0.337 5.077 4.740 -0.000 0.000 0.240 264 N C -1.740 173.642 175.510 -0.214 0.000 1.039 264 N CA -2.103 50.790 53.050 -0.261 0.000 0.888 264 N CB 1.341 39.659 38.487 -0.282 0.000 1.128 264 N HN 0.332 nan 8.380 nan 0.000 0.512 265 P HA -0.062 nan 4.420 nan 0.000 0.225 265 P C 0.097 177.000 177.300 -0.661 0.000 1.148 265 P CA 0.892 63.693 63.100 -0.500 0.000 0.779 265 P CB 0.017 31.204 31.700 -0.855 0.000 0.780 266 F N -0.273 119.587 119.950 -0.150 0.000 2.772 266 F HA 0.255 4.782 4.527 -0.000 0.000 0.302 266 F C 1.407 177.169 175.800 -0.065 0.000 1.136 266 F CA -0.596 57.342 58.000 -0.103 0.000 1.322 266 F CB -0.183 38.759 39.000 -0.097 0.000 0.967 266 F HN -0.180 nan 8.300 nan 0.000 0.513 267 S N 1.062 116.762 115.700 -0.001 0.000 2.593 267 S HA 0.160 4.630 4.470 -0.000 0.000 0.269 267 S C -1.321 173.269 174.600 -0.018 0.000 1.334 267 S CA -0.973 57.217 58.200 -0.015 0.000 1.015 267 S CB 1.130 64.277 63.200 -0.089 0.000 0.912 267 S HN 0.002 nan 8.310 nan 0.000 0.541 268 P HA -0.013 nan 4.420 nan 0.000 0.221 268 P C 0.897 178.169 177.300 -0.048 0.000 1.145 268 P CA 1.069 64.158 63.100 -0.019 0.000 0.795 268 P CB 0.079 31.769 31.700 -0.016 0.000 0.775 269 R N -1.079 119.374 120.500 -0.077 0.000 2.240 269 R HA 0.137 4.477 4.340 -0.000 0.000 0.203 269 R C 1.399 177.625 176.300 -0.122 0.000 1.011 269 R CA 0.261 56.296 56.100 -0.109 0.000 1.007 269 R CB -0.396 29.811 30.300 -0.155 0.000 0.911 269 R HN 0.162 nan 8.270 nan 0.000 0.468 270 G N 1.215 109.946 108.800 -0.116 0.000 2.467 270 G HA2 0.050 4.010 3.960 -0.000 0.000 0.257 270 G HA3 0.050 4.010 3.960 -0.000 0.000 0.257 270 G C -0.408 174.430 174.900 -0.104 0.000 1.227 270 G CA -0.518 44.504 45.100 -0.130 0.000 0.835 270 G HN -0.099 nan 8.290 nan 0.000 0.556 271 K N 0.781 121.116 120.400 -0.108 0.000 2.401 271 K HA 0.122 4.442 4.320 -0.000 0.000 0.278 271 K C 0.838 177.387 176.600 -0.086 0.000 1.018 271 K CA -0.042 56.193 56.287 -0.087 0.000 0.981 271 K CB 1.185 33.634 32.500 -0.085 0.000 0.933 271 K HN 0.470 nan 8.250 nan 0.000 0.477 272 S N 2.626 118.294 115.700 -0.053 0.000 2.568 272 S HA 0.032 4.502 4.470 -0.000 0.000 0.282 272 S C 0.878 175.449 174.600 -0.048 0.000 1.338 272 S CA -0.392 57.790 58.200 -0.030 0.000 1.045 272 S CB 0.328 63.519 63.200 -0.015 0.000 0.873 272 S HN 0.459 nan 8.310 nan 0.000 0.516 273 L N 3.035 124.237 121.223 -0.036 0.000 2.667 273 L HA 0.446 4.786 4.340 -0.000 0.000 0.232 273 L C 0.516 177.368 176.870 -0.030 0.000 1.138 273 L CA 0.269 55.065 54.840 -0.073 0.000 0.921 273 L CB -0.475 41.501 42.059 -0.138 0.000 1.180 273 L HN 0.749 nan 8.230 nan 0.000 0.487 274 E N 0.237 120.430 120.200 -0.012 0.000 2.328 274 E HA 0.367 4.717 4.350 -0.000 0.000 0.265 274 E C 1.238 177.837 176.600 -0.001 0.000 1.057 274 E CA 0.788 57.185 56.400 -0.005 0.000 0.916 274 E CB -0.069 29.627 29.700 -0.006 0.000 0.993 274 E HN 0.323 nan 8.360 nan 0.000 0.446 275 G N 3.142 111.947 108.800 0.008 0.000 2.198 275 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 275 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 275 G C -0.072 174.839 174.900 0.019 0.000 1.025 275 G CA 0.270 45.378 45.100 0.013 0.000 0.769 275 G HN 0.469 nan 8.290 nan 0.000 0.507 276 V N -0.073 119.858 119.914 0.029 0.000 2.630 276 V HA 0.687 4.807 4.120 -0.000 0.000 0.305 276 V C 1.054 177.203 176.094 0.091 0.000 1.046 276 V CA 0.043 62.369 62.300 0.044 0.000 0.934 276 V CB 1.921 33.759 31.823 0.025 0.000 1.003 276 V HN 0.478 nan 8.190 nan 0.000 0.451 277 S N 3.714 119.466 115.700 0.088 0.000 2.700 277 S HA 0.371 4.841 4.470 -0.000 0.000 0.321 277 S C -0.910 173.792 174.600 0.171 0.000 1.161 277 S CA -0.148 58.108 58.200 0.094 0.000 1.078 277 S CB -0.966 62.262 63.200 0.046 0.000 1.302 277 S HN 0.465 nan 8.310 nan 0.000 0.540 278 F N 6.676 126.630 119.950 0.006 0.000 2.551 278 F HA 0.629 5.156 4.527 -0.000 0.000 0.316 278 F C -2.195 173.630 175.800 0.041 0.000 1.089 278 F CA -1.950 56.060 58.000 0.018 0.000 0.915 278 F CB 1.734 40.752 39.000 0.030 0.000 1.186 278 F HN 0.372 nan 8.300 nan 0.000 0.456 279 P HA 0.166 nan 4.420 nan 0.000 0.274 279 P C -1.462 175.836 177.300 -0.003 0.000 1.246 279 P CA -0.541 62.430 63.100 -0.215 0.000 0.795 279 P CB 0.823 32.351 31.700 -0.286 0.000 1.006 280 K N 0.385 120.854 120.400 0.115 0.000 2.380 280 K HA 0.353 4.672 4.320 -0.000 0.000 0.267 280 K C -0.332 176.541 176.600 0.455 0.000 0.990 280 K CA -0.313 56.137 56.287 0.272 0.000 0.946 280 K CB 0.022 32.663 32.500 0.235 0.000 0.937 280 K HN 0.271 nan 8.250 nan 0.000 0.491 281 S N 1.324 117.292 115.700 0.447 0.000 2.542 281 S HA 0.410 4.880 4.470 -0.000 0.000 0.293 281 S C -1.480 173.168 174.600 0.079 0.000 1.089 281 S CA -0.984 57.425 58.200 0.349 0.000 0.961 281 S CB 1.345 64.777 63.200 0.387 0.000 1.062 281 S HN 0.555 nan 8.310 nan 0.000 0.483 282 L N 3.398 124.450 121.223 -0.284 0.000 2.318 282 L HA 0.644 4.983 4.340 -0.000 0.000 0.277 282 L C -1.448 175.354 176.870 -0.114 0.000 1.008 282 L CA -0.402 54.183 54.840 -0.425 0.000 0.846 282 L CB 0.927 42.379 42.059 -1.010 0.000 1.220 282 L HN 0.450 nan 8.230 nan 0.000 0.423 283 V N 6.016 125.948 119.914 0.030 0.000 2.347 283 V HA 0.469 4.588 4.120 -0.000 0.000 0.280 283 V C -0.174 175.978 176.094 0.096 0.000 1.021 283 V CA -0.654 61.721 62.300 0.126 0.000 0.847 283 V CB 1.624 33.599 31.823 0.254 0.000 0.990 283 V HN 0.477 nan 8.190 nan 0.000 0.444 284 V N 6.077 126.049 119.914 0.096 0.000 2.370 284 V HA 0.470 4.589 4.120 -0.000 0.000 0.279 284 V C -0.113 176.075 176.094 0.157 0.000 1.029 284 V CA -0.473 61.904 62.300 0.128 0.000 0.870 284 V CB 1.789 33.717 31.823 0.176 0.000 0.984 284 V HN 0.602 nan 8.190 nan 0.000 0.451 285 V N 4.281 124.274 119.914 0.132 0.000 2.444 285 V HA 0.665 4.785 4.120 -0.000 0.000 0.294 285 V C 0.429 176.599 176.094 0.127 0.000 1.022 285 V CA -0.708 61.657 62.300 0.108 0.000 0.850 285 V CB 1.769 33.578 31.823 -0.023 0.000 0.992 285 V HN 0.961 nan 8.190 nan 0.000 0.426 286 A N 3.473 126.387 122.820 0.155 0.000 2.362 286 A HA 0.579 4.899 4.320 -0.000 0.000 0.276 286 A C 1.502 179.143 177.584 0.096 0.000 1.153 286 A CA 0.332 52.423 52.037 0.090 0.000 0.813 286 A CB 0.726 19.839 19.000 0.189 0.000 1.081 286 A HN 1.131 nan 8.150 nan 0.000 0.507 287 G N 1.478 110.332 108.800 0.090 0.000 2.448 287 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.219 287 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.219 287 G C 0.862 175.788 174.900 0.043 0.000 1.127 287 G CA 0.721 45.916 45.100 0.159 0.000 0.766 287 G HN 0.658 nan 8.290 nan 0.000 0.552 288 L N 0.595 121.784 121.223 -0.058 0.000 2.741 288 L HA 0.242 4.582 4.340 -0.000 0.000 0.237 288 L C 0.017 176.908 176.870 0.034 0.000 1.178 288 L CA -0.427 54.329 54.840 -0.141 0.000 0.973 288 L CB 0.272 42.001 42.059 -0.550 0.000 1.255 288 L HN 0.011 nan 8.230 nan 0.000 0.498 289 D N 1.203 121.665 120.400 0.102 0.000 2.295 289 D HA 0.110 4.750 4.640 -0.000 0.000 0.248 289 D C 1.115 177.519 176.300 0.174 0.000 1.154 289 D CA -0.478 53.620 54.000 0.164 0.000 0.857 289 D CB 1.877 42.779 40.800 0.169 0.000 1.117 289 D HN 0.075 nan 8.370 nan 0.000 0.468 290 L N 4.045 125.389 121.223 0.203 0.000 2.261 290 L HA -0.042 4.298 4.340 -0.000 0.000 0.216 290 L C 1.538 178.544 176.870 0.227 0.000 1.114 290 L CA 1.459 56.421 54.840 0.204 0.000 0.777 290 L CB -0.977 41.207 42.059 0.209 0.000 0.910 290 L HN 0.553 nan 8.230 nan 0.000 0.440 291 I N -3.237 117.492 120.570 0.265 0.000 3.855 291 I HA 0.213 4.383 4.170 -0.000 0.000 0.327 291 I C 2.197 178.490 176.117 0.294 0.000 1.359 291 I CA -0.195 61.329 61.300 0.372 0.000 1.142 291 I CB -0.448 37.820 38.000 0.447 0.000 1.041 291 I HN 0.237 nan 8.210 nan 0.000 0.403 292 R N 1.854 122.460 120.500 0.177 0.000 2.113 292 R HA -0.232 4.108 4.340 -0.000 0.000 0.244 292 R C 1.338 177.666 176.300 0.047 0.000 1.142 292 R CA 2.648 58.804 56.100 0.092 0.000 0.953 292 R CB -0.266 30.067 30.300 0.055 0.000 0.860 292 R HN 0.414 nan 8.270 nan 0.000 0.438 293 D N -0.670 119.728 120.400 -0.004 0.000 2.178 293 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 293 D C 1.607 177.840 176.300 -0.112 0.000 0.980 293 D CA 1.237 55.162 54.000 -0.125 0.000 0.842 293 D CB -0.405 40.240 40.800 -0.258 0.000 0.948 293 D HN 0.423 nan 8.370 nan 0.000 0.472 294 W N 1.148 122.517 121.300 0.116 0.000 2.418 294 W HA -0.064 4.596 4.660 -0.000 0.000 0.292 294 W C 2.594 179.241 176.519 0.213 0.000 1.213 294 W CA 0.306 57.749 57.345 0.162 0.000 1.283 294 W CB -0.155 29.436 29.460 0.219 0.000 1.119 294 W HN 0.013 nan 8.180 nan 0.000 0.542 295 Q N 0.214 120.266 119.800 0.421 0.000 2.119 295 Q HA -0.153 4.187 4.340 -0.000 0.000 0.201 295 Q C 2.174 178.331 176.000 0.261 0.000 0.972 295 Q CA 1.366 57.388 55.803 0.366 0.000 0.847 295 Q CB -0.516 28.371 28.738 0.248 0.000 0.903 295 Q HN 0.370 nan 8.270 nan 0.000 0.433 296 L N 0.038 121.327 121.223 0.109 0.000 2.093 296 L HA -0.141 4.198 4.340 -0.000 0.000 0.208 296 L C 2.459 179.348 176.870 0.032 0.000 1.085 296 L CA 0.887 55.737 54.840 0.017 0.000 0.755 296 L CB -0.555 41.455 42.059 -0.082 0.000 0.904 296 L HN 0.216 nan 8.230 nan 0.000 0.435 297 A N -0.801 122.050 122.820 0.051 0.000 1.972 297 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 297 A C 2.166 179.736 177.584 -0.023 0.000 1.169 297 A CA 1.364 53.398 52.037 -0.004 0.000 0.635 297 A CB -0.740 18.279 19.000 0.032 0.000 0.810 297 A HN 0.495 nan 8.150 nan 0.000 0.446 298 Y N 0.530 120.851 120.300 0.036 0.000 2.163 298 Y HA -0.023 4.527 4.550 -0.000 0.000 0.288 298 Y C 2.600 178.500 175.900 0.001 0.000 1.136 298 Y CA 1.265 59.403 58.100 0.063 0.000 1.147 298 Y CB -0.555 37.978 38.460 0.121 0.000 0.987 298 Y HN 0.283 nan 8.280 nan 0.000 0.509 299 A N -0.000 122.853 122.820 0.055 0.000 1.933 299 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 299 A C 2.084 179.566 177.584 -0.169 0.000 1.175 299 A CA 1.963 53.977 52.037 -0.038 0.000 0.628 299 A CB -0.784 18.265 19.000 0.083 0.000 0.814 299 A HN 0.536 nan 8.150 nan 0.000 0.444 300 E N 0.116 120.204 120.200 -0.187 0.000 2.152 300 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 300 E C 1.952 178.315 176.600 -0.396 0.000 0.983 300 E CA 1.347 57.613 56.400 -0.223 0.000 0.818 300 E CB -0.782 28.812 29.700 -0.177 0.000 0.758 300 E HN 0.395 nan 8.360 nan 0.000 0.467 301 G N 0.787 109.155 108.800 -0.720 0.000 2.421 301 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 301 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 301 G C 1.601 176.016 174.900 -0.809 0.000 1.171 301 G CA 0.937 45.234 45.100 -1.339 0.000 0.775 301 G HN 0.302 nan 8.290 nan 0.000 0.543 302 L N 0.151 121.065 121.223 -0.515 0.000 1.994 302 L HA -0.077 4.262 4.340 -0.000 0.000 0.208 302 L C 2.818 179.612 176.870 -0.127 0.000 1.071 302 L CA 1.764 56.491 54.840 -0.187 0.000 0.745 302 L CB -0.415 41.550 42.059 -0.156 0.000 0.892 302 L HN 0.229 nan 8.230 nan 0.000 0.431 303 K N 0.803 121.121 120.400 -0.136 0.000 2.063 303 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 303 K C 2.228 178.776 176.600 -0.086 0.000 1.048 303 K CA 1.806 58.047 56.287 -0.077 0.000 0.928 303 K CB -0.037 32.421 32.500 -0.069 0.000 0.713 303 K HN 0.064 nan 8.250 nan 0.000 0.442 304 K N -0.220 120.094 120.400 -0.143 0.000 2.209 304 K HA -0.066 4.253 4.320 -0.000 0.000 0.204 304 K C 1.423 177.971 176.600 -0.087 0.000 1.048 304 K CA 1.154 57.367 56.287 -0.123 0.000 0.940 304 K CB -0.051 32.344 32.500 -0.174 0.000 0.729 304 K HN 0.250 nan 8.250 nan 0.000 0.451 305 A N -0.037 122.732 122.820 -0.085 0.000 2.259 305 A HA 0.227 4.547 4.320 -0.000 0.000 0.208 305 A C 1.158 178.733 177.584 -0.014 0.000 1.201 305 A CA 0.614 52.629 52.037 -0.036 0.000 0.824 305 A CB -0.411 18.585 19.000 -0.006 0.000 0.838 305 A HN 0.497 nan 8.150 nan 0.000 0.485 306 G N -1.161 107.630 108.800 -0.015 0.000 2.143 306 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 306 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 306 G C 0.000 174.922 174.900 0.037 0.000 0.991 306 G CA 0.295 45.400 45.100 0.008 0.000 0.689 306 G HN 0.489 nan 8.290 nan 0.000 0.522 307 Q N 0.118 119.946 119.800 0.046 0.000 2.260 307 Q HA 0.430 4.770 4.340 -0.000 0.000 0.238 307 Q C 0.351 176.420 176.000 0.114 0.000 0.948 307 Q CA -0.495 55.374 55.803 0.110 0.000 0.895 307 Q CB 1.099 29.928 28.738 0.151 0.000 1.218 307 Q HN 0.636 nan 8.270 nan 0.000 0.470 308 E N 0.926 121.218 120.200 0.154 0.000 2.257 308 E HA 0.308 4.658 4.350 -0.000 0.000 0.278 308 E C -1.318 175.394 176.600 0.188 0.000 1.049 308 E CA -0.268 56.221 56.400 0.149 0.000 0.876 308 E CB 0.748 30.538 29.700 0.150 0.000 1.035 308 E HN 0.265 nan 8.360 nan 0.000 0.419 309 V N 4.914 124.916 119.914 0.147 0.000 2.733 309 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 309 V C -1.562 174.604 176.094 0.120 0.000 1.084 309 V CA -0.832 61.557 62.300 0.148 0.000 0.905 309 V CB 1.930 33.814 31.823 0.102 0.000 1.010 309 V HN 0.658 nan 8.190 nan 0.000 0.424 310 K N 6.043 126.516 120.400 0.121 0.000 2.316 310 K HA 0.646 4.965 4.320 -0.000 0.000 0.267 310 K C -1.378 175.260 176.600 0.062 0.000 1.025 310 K CA -0.398 55.943 56.287 0.089 0.000 0.896 310 K CB 1.405 33.963 32.500 0.095 0.000 1.124 310 K HN 0.686 nan 8.250 nan 0.000 0.451 311 L N 5.205 126.469 121.223 0.068 0.000 2.275 311 L HA 0.524 4.864 4.340 -0.000 0.000 0.288 311 L C -1.092 175.825 176.870 0.077 0.000 1.046 311 L CA -0.053 54.832 54.840 0.075 0.000 0.805 311 L CB 0.940 43.043 42.059 0.074 0.000 1.193 311 L HN 0.800 nan 8.230 nan 0.000 0.426 312 M N 5.710 125.359 119.600 0.082 0.000 2.027 312 M HA 0.261 4.740 4.480 -0.000 0.000 0.329 312 M C -1.002 175.377 176.300 0.132 0.000 0.971 312 M CA -0.182 55.169 55.300 0.086 0.000 0.933 312 M CB 0.691 33.326 32.600 0.059 0.000 1.392 312 M HN 0.611 nan 8.290 nan 0.000 0.394 313 H N 4.901 123.979 119.070 0.014 0.000 2.741 313 H HA 0.401 4.957 4.556 -0.000 0.000 0.282 313 H C -1.061 174.248 175.328 -0.032 0.000 1.122 313 H CA -0.629 55.420 56.048 0.001 0.000 1.293 313 H CB 0.656 30.424 29.762 0.012 0.000 1.415 313 H HN 0.634 nan 8.280 nan 0.000 0.472 314 L N 5.732 127.012 121.223 0.095 0.000 2.358 314 L HA 0.111 4.451 4.340 -0.000 0.000 0.274 314 L C 1.222 178.001 176.870 -0.153 0.000 1.136 314 L CA -0.178 54.599 54.840 -0.105 0.000 0.970 314 L CB 0.598 42.463 42.059 -0.323 0.000 1.314 314 L HN 0.741 nan 8.230 nan 0.000 0.427 315 E N 1.337 121.400 120.200 -0.229 0.000 2.233 315 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 315 E C 1.051 177.567 176.600 -0.140 0.000 1.004 315 E CA 1.430 57.691 56.400 -0.232 0.000 0.819 315 E CB 0.150 29.683 29.700 -0.278 0.000 0.738 315 E HN 0.492 nan 8.360 nan 0.000 0.478 316 K N -0.539 119.783 120.400 -0.131 0.000 2.414 316 K HA 0.288 4.607 4.320 -0.000 0.000 0.204 316 K C -0.275 176.197 176.600 -0.213 0.000 1.026 316 K CA -0.287 55.935 56.287 -0.108 0.000 1.108 316 K CB 1.353 33.867 32.500 0.024 0.000 0.855 316 K HN -0.028 nan 8.250 nan 0.000 0.517 317 A N 1.476 123.990 122.820 -0.509 0.000 2.302 317 A HA 0.402 4.722 4.320 -0.000 0.000 0.285 317 A C 0.467 177.943 177.584 -0.180 0.000 1.105 317 A CA -0.298 51.360 52.037 -0.632 0.000 0.816 317 A CB 0.484 18.775 19.000 -1.181 0.000 1.067 317 A HN 0.219 nan 8.150 nan 0.000 0.489 318 T N -1.715 112.863 114.554 0.041 0.000 2.905 318 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 318 T C 0.310 175.183 174.700 0.288 0.000 1.031 318 T CA -0.081 62.121 62.100 0.169 0.000 1.002 318 T CB 0.373 69.427 68.868 0.310 0.000 1.200 318 T HN 1.650 nan 8.240 nan 0.000 0.560 319 V N -0.931 119.140 119.914 0.262 0.000 2.999 319 V HA 0.537 4.657 4.120 -0.000 0.000 0.307 319 V C 1.652 177.723 176.094 -0.039 0.000 1.084 319 V CA 0.257 62.651 62.300 0.156 0.000 1.155 319 V CB -0.469 31.433 31.823 0.132 0.000 0.975 319 V HN 1.962 nan 8.190 nan 0.000 0.490 320 G N 2.825 111.410 108.800 -0.358 0.000 2.168 320 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.263 320 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.263 320 G C 0.241 174.714 174.900 -0.713 0.000 0.977 320 G CA 1.016 45.675 45.100 -0.735 0.000 0.659 320 G HN 2.001 nan 8.290 nan 0.000 0.533 321 F N 0.486 120.225 119.950 -0.352 0.000 2.333 321 F HA 0.057 4.584 4.527 -0.000 0.000 0.300 321 F C 1.971 177.752 175.800 -0.032 0.000 1.083 321 F CA 0.946 58.886 58.000 -0.101 0.000 1.395 321 F CB -0.854 38.188 39.000 0.071 0.000 1.056 321 F HN 0.411 nan 8.300 nan 0.000 0.529 322 Y N -0.714 119.256 120.300 -0.550 0.000 2.461 322 Y HA 0.434 4.983 4.550 -0.000 0.000 0.277 322 Y C 1.299 177.197 175.900 -0.003 0.000 1.182 322 Y CA -0.525 57.512 58.100 -0.106 0.000 1.276 322 Y CB -1.184 37.043 38.460 -0.388 0.000 1.087 322 Y HN 0.163 nan 8.280 nan 0.000 0.519 323 L N -0.069 120.953 121.223 -0.335 0.000 2.375 323 L HA 0.148 4.488 4.340 -0.000 0.000 0.215 323 L C -0.431 176.296 176.870 -0.239 0.000 1.108 323 L CA 0.316 55.007 54.840 -0.247 0.000 0.830 323 L CB 0.097 41.957 42.059 -0.331 0.000 0.959 323 L HN 0.172 nan 8.230 nan 0.000 0.457 324 L N 0.066 121.116 121.223 -0.288 0.000 2.410 324 L HA 0.379 4.719 4.340 -0.000 0.000 0.270 324 L C -2.218 174.289 176.870 -0.605 0.000 0.983 324 L CA -1.174 53.458 54.840 -0.347 0.000 0.822 324 L CB 1.677 43.613 42.059 -0.206 0.000 1.285 324 L HN -0.282 nan 8.230 nan 0.000 0.409 325 P HA 0.134 nan 4.420 nan 0.000 0.220 325 P C -0.621 176.510 177.300 -0.281 0.000 1.778 325 P CA -0.079 62.459 63.100 -0.937 0.000 0.912 325 P CB -0.171 31.127 31.700 -0.670 0.000 1.861 326 N N 0.880 119.448 118.700 -0.220 0.000 2.291 326 N HA 0.042 4.782 4.740 -0.000 0.000 0.244 326 N C -0.589 174.915 175.510 -0.009 0.000 1.216 326 N CA -0.681 52.344 53.050 -0.042 0.000 0.879 326 N CB -0.505 37.957 38.487 -0.041 0.000 1.167 326 N HN 0.210 nan 8.380 nan 0.000 0.515 327 N N -1.650 116.993 118.700 -0.095 0.000 2.591 327 N HA 0.323 5.063 4.740 -0.000 0.000 0.263 327 N C -0.336 175.077 175.510 -0.162 0.000 1.308 327 N CA -0.835 52.179 53.050 -0.060 0.000 0.837 327 N CB 0.678 39.181 38.487 0.028 0.000 1.548 327 N HN -0.301 nan 8.380 nan 0.000 0.493 328 N N -0.079 118.544 118.700 -0.129 0.000 2.381 328 N HA -0.126 4.614 4.740 -0.000 0.000 0.182 328 N C 0.670 176.108 175.510 -0.120 0.000 1.025 328 N CA 0.941 53.952 53.050 -0.065 0.000 0.888 328 N CB -0.452 37.964 38.487 -0.119 0.000 0.965 328 N HN 0.558 nan 8.380 nan 0.000 0.438 329 H N -0.116 118.939 119.070 -0.026 0.000 2.326 329 H HA -0.082 4.473 4.556 -0.000 0.000 0.301 329 H C 1.900 177.265 175.328 0.063 0.000 1.081 329 H CA 0.717 56.678 56.048 -0.145 0.000 1.334 329 H CB -0.790 28.690 29.762 -0.471 0.000 1.385 329 H HN 0.233 nan 8.280 nan 0.000 0.504 330 F N 2.213 122.267 119.950 0.174 0.000 2.069 330 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 330 F C 2.639 178.478 175.800 0.065 0.000 1.113 330 F CA 1.572 59.680 58.000 0.179 0.000 1.214 330 F CB -0.268 38.706 39.000 -0.043 0.000 0.978 330 F HN 0.117 nan 8.300 nan 0.000 0.474 331 H N 0.164 119.376 119.070 0.238 0.000 2.290 331 H HA -0.143 4.412 4.556 -0.000 0.000 0.298 331 H C 2.033 177.347 175.328 -0.022 0.000 1.087 331 H CA 1.895 57.990 56.048 0.078 0.000 1.291 331 H CB -1.331 28.514 29.762 0.137 0.000 1.369 331 H HN 0.448 nan 8.280 nan 0.000 0.492 332 N N 0.083 118.857 118.700 0.123 0.000 2.104 332 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 332 N C 2.011 177.537 175.510 0.025 0.000 1.024 332 N CA 1.113 54.201 53.050 0.063 0.000 0.853 332 N CB 0.091 38.609 38.487 0.053 0.000 1.008 332 N HN -0.010 nan 8.380 nan 0.000 0.424 333 V N 1.265 121.193 119.914 0.023 0.000 2.358 333 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 333 V C 2.270 178.316 176.094 -0.079 0.000 1.047 333 V CA 1.265 63.575 62.300 0.016 0.000 1.035 333 V CB -0.324 31.596 31.823 0.161 0.000 0.658 333 V HN 0.372 nan 8.190 nan 0.000 0.452 334 M N -0.433 119.041 119.600 -0.211 0.000 2.159 334 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 334 M C 1.953 178.191 176.300 -0.104 0.000 1.063 334 M CA 1.562 56.717 55.300 -0.242 0.000 1.110 334 M CB -1.315 31.031 32.600 -0.424 0.000 1.374 334 M HN 0.364 nan 8.290 nan 0.000 0.411 335 D N 0.245 120.613 120.400 -0.053 0.000 2.117 335 D HA -0.141 4.498 4.640 -0.000 0.000 0.197 335 D C 2.002 178.302 176.300 0.001 0.000 0.987 335 D CA 1.042 55.035 54.000 -0.012 0.000 0.829 335 D CB -0.114 40.693 40.800 0.013 0.000 0.961 335 D HN 0.293 nan 8.370 nan 0.000 0.460 336 E N 0.450 120.652 120.200 0.003 0.000 2.150 336 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 336 E C 2.471 179.091 176.600 0.034 0.000 0.985 336 E CA 0.134 56.549 56.400 0.025 0.000 0.814 336 E CB -0.138 29.571 29.700 0.015 0.000 0.752 336 E HN 0.415 nan 8.360 nan 0.000 0.466 337 I N 0.571 121.134 120.570 -0.012 0.000 2.226 337 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 337 I C 2.603 178.729 176.117 0.016 0.000 1.100 337 I CA 0.975 62.270 61.300 -0.008 0.000 1.374 337 I CB -0.263 37.699 38.000 -0.063 0.000 1.057 337 I HN 0.036 nan 8.210 nan 0.000 0.413 338 S N 0.537 116.228 115.700 -0.014 0.000 2.356 338 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 338 S C 2.230 176.827 174.600 -0.004 0.000 1.032 338 S CA 1.472 59.657 58.200 -0.025 0.000 1.005 338 S CB -0.212 62.975 63.200 -0.022 0.000 0.867 338 S HN 0.471 nan 8.310 nan 0.000 0.449 339 A N 0.447 123.287 122.820 0.033 0.000 1.902 339 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 339 A C 1.979 179.609 177.584 0.077 0.000 1.181 339 A CA 1.653 53.720 52.037 0.050 0.000 0.623 339 A CB -1.052 17.988 19.000 0.066 0.000 0.818 339 A HN 0.659 nan 8.150 nan 0.000 0.443 340 F N 0.624 120.537 119.950 -0.060 0.000 2.102 340 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 340 F C 2.238 177.944 175.800 -0.157 0.000 1.105 340 F CA 2.038 60.001 58.000 -0.061 0.000 1.239 340 F CB -0.239 38.730 39.000 -0.052 0.000 0.991 340 F HN 0.026 nan 8.300 nan 0.000 0.474 341 V N 0.458 120.221 119.914 -0.251 0.000 2.548 341 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 341 V C 1.536 177.419 176.094 -0.353 0.000 1.055 341 V CA 1.858 63.707 62.300 -0.752 0.000 1.065 341 V CB -0.683 30.723 31.823 -0.695 0.000 0.681 341 V HN 0.376 nan 8.190 nan 0.000 0.462 342 N N 0.072 118.683 118.700 -0.147 0.000 2.280 342 N HA 0.242 4.982 4.740 -0.000 0.000 0.192 342 N C 0.689 176.194 175.510 -0.007 0.000 1.109 342 N CA 0.500 53.527 53.050 -0.038 0.000 0.855 342 N CB 0.425 38.899 38.487 -0.022 0.000 0.974 342 N HN 0.473 nan 8.380 nan 0.000 0.482 343 A N 0.000 122.800 122.820 -0.033 0.000 2.254 343 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 343 A CA 0.000 52.028 52.037 -0.014 0.000 0.836 343 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 343 A HN 0.000 nan 8.150 nan 0.000 0.486