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 2xec_1_D DATA FIRST_RESID 2 DATA SEQUENCE GIRRIGLVVP SSNVTVETEM PALLSRHPGA EFSFHSTRMR MHTVSPEGLA DATA SEQUENCE AMNAQRERCV LEIADAAPEV ILYACLVAVM VGGPGEHHRV ESAVAEQLAT DATA SEQUENCE GGSQALVRSS AGALVEGLRA LDAQRVALVT PYMRPLAEKV VAYLEAEGFT DATA SEQUENCE ISDWRALEVA DNTEVGCIPG EQVMAAARSL DLSEVDALVI SCCVQMPSLP DATA SEQUENCE LVETAEREFG IPVLSAATAG AYSILRSLDL PVAVPGAGRL LRQDS 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 2 G C 0.000 174.799 174.900 -0.169 0.000 0.946 2 G CA 0.000 45.034 45.100 -0.111 0.000 0.502 3 I N 3.958 124.441 120.570 -0.146 0.000 2.452 3 I HA 0.321 4.491 4.170 0.001 0.000 0.287 3 I C 0.082 176.088 176.117 -0.185 0.000 1.079 3 I CA -0.402 60.788 61.300 -0.184 0.000 1.387 3 I CB 0.857 38.795 38.000 -0.103 0.000 1.404 3 I HN 0.040 nan 8.210 nan 0.000 0.522 4 R N 6.901 127.229 120.500 -0.287 0.000 2.202 4 R HA 0.335 4.676 4.340 0.001 0.000 0.334 4 R C -0.478 175.777 176.300 -0.074 0.000 1.036 4 R CA -0.770 55.222 56.100 -0.181 0.000 0.878 4 R CB 0.413 30.573 30.300 -0.233 0.000 1.067 4 R HN 0.462 nan 8.270 nan 0.000 0.457 5 R N 3.367 123.845 120.500 -0.038 0.000 2.357 5 R HA 0.171 4.512 4.340 0.001 0.000 0.330 5 R C 0.290 176.599 176.300 0.015 0.000 1.102 5 R CA -0.297 55.808 56.100 0.009 0.000 0.974 5 R CB -0.086 30.179 30.300 -0.059 0.000 1.002 5 R HN 0.366 nan 8.270 nan 0.000 0.463 6 I N 1.470 122.028 120.570 -0.019 0.000 2.472 6 I HA 0.260 4.430 4.170 0.001 0.000 0.290 6 I C 1.274 177.488 176.117 0.162 0.000 1.016 6 I CA -1.015 60.299 61.300 0.022 0.000 1.348 6 I CB 1.032 38.978 38.000 -0.091 0.000 1.417 6 I HN 0.463 nan 8.210 nan 0.000 0.521 7 G N 6.290 115.174 108.800 0.139 0.000 2.371 7 G HA2 0.694 4.654 3.960 0.001 0.000 0.326 7 G HA3 0.694 4.654 3.960 0.001 0.000 0.326 7 G C -0.908 174.080 174.900 0.147 0.000 1.127 7 G CA -0.506 44.679 45.100 0.142 0.000 0.885 7 G HN 0.463 nan 8.290 nan 0.000 0.477 8 L N 1.693 122.995 121.223 0.132 0.000 2.410 8 L HA 0.435 4.775 4.340 0.001 0.000 0.270 8 L C -0.718 176.162 176.870 0.016 0.000 0.983 8 L CA -1.096 53.789 54.840 0.074 0.000 0.822 8 L CB 2.572 44.677 42.059 0.077 0.000 1.285 8 L HN 0.192 nan 8.230 nan 0.000 0.409 9 V N 4.139 124.022 119.914 -0.052 0.000 2.275 9 V HA 0.335 4.456 4.120 0.001 0.000 0.272 9 V C 0.077 176.033 176.094 -0.230 0.000 1.028 9 V CA -0.600 61.622 62.300 -0.129 0.000 0.810 9 V CB 1.593 33.325 31.823 -0.153 0.000 1.043 9 V HN 0.523 nan 8.190 nan 0.000 0.453 10 V N 3.599 123.421 119.914 -0.154 0.000 2.881 10 V HA 0.775 4.896 4.120 0.001 0.000 0.316 10 V C -2.716 173.293 176.094 -0.141 0.000 1.070 10 V CA -3.090 59.117 62.300 -0.154 0.000 0.976 10 V CB 1.919 33.685 31.823 -0.095 0.000 1.038 10 V HN 0.540 nan 8.190 nan 0.000 0.446 11 P HA 0.156 nan 4.420 nan 0.000 0.268 11 P C 1.046 178.294 177.300 -0.087 0.000 1.204 11 P CA 0.497 63.534 63.100 -0.106 0.000 0.768 11 P CB 0.932 32.582 31.700 -0.084 0.000 0.842 12 S N 1.558 117.199 115.700 -0.099 0.000 2.383 12 S HA -0.190 4.280 4.470 0.001 0.000 0.229 12 S C 1.580 176.151 174.600 -0.048 0.000 1.030 12 S CA 1.761 59.913 58.200 -0.081 0.000 1.002 12 S CB -1.282 61.850 63.200 -0.113 0.000 0.829 12 S HN 0.521 nan 8.310 nan 0.000 0.467 13 S N 0.912 116.585 115.700 -0.044 0.000 2.575 13 S HA 0.183 4.653 4.470 0.001 0.000 0.215 13 S C 0.519 175.121 174.600 0.004 0.000 0.966 13 S CA -0.463 57.749 58.200 0.020 0.000 0.911 13 S CB -0.663 62.594 63.200 0.095 0.000 0.780 13 S HN 0.500 nan 8.310 nan 0.000 0.514 14 N N 1.453 120.140 118.700 -0.023 0.000 2.468 14 N HA 0.129 4.870 4.740 0.001 0.000 0.265 14 N C 0.492 175.982 175.510 -0.032 0.000 1.199 14 N CA 0.193 53.226 53.050 -0.028 0.000 0.928 14 N CB 1.418 39.878 38.487 -0.044 0.000 1.059 14 N HN 0.083 nan 8.380 nan 0.000 0.467 15 V N 2.988 122.883 119.914 -0.031 0.000 3.090 15 V HA -0.061 4.060 4.120 0.001 0.000 0.237 15 V C 1.974 178.036 176.094 -0.052 0.000 1.209 15 V CA 0.779 63.057 62.300 -0.036 0.000 1.209 15 V CB -0.335 31.474 31.823 -0.024 0.000 0.971 15 V HN 0.694 nan 8.190 nan 0.000 0.477 16 T N 1.163 115.686 114.554 -0.051 0.000 2.652 16 T HA -0.217 4.134 4.350 0.001 0.000 0.267 16 T C 1.945 176.592 174.700 -0.089 0.000 1.039 16 T CA 2.171 64.233 62.100 -0.063 0.000 1.153 16 T CB -0.312 68.523 68.868 -0.054 0.000 0.863 16 T HN 0.280 nan 8.240 nan 0.000 0.428 17 V N 1.679 121.540 119.914 -0.088 0.000 2.250 17 V HA -0.288 3.833 4.120 0.001 0.000 0.253 17 V C 2.253 178.244 176.094 -0.171 0.000 1.065 17 V CA 2.137 64.367 62.300 -0.117 0.000 1.039 17 V CB -0.905 30.858 31.823 -0.101 0.000 0.647 17 V HN 0.564 nan 8.190 nan 0.000 0.446 18 E N -0.245 119.865 120.200 -0.151 0.000 2.409 18 E HA -0.101 4.250 4.350 0.001 0.000 0.198 18 E C 2.129 178.609 176.600 -0.200 0.000 1.024 18 E CA 1.315 57.601 56.400 -0.191 0.000 0.861 18 E CB -0.173 29.456 29.700 -0.119 0.000 0.788 18 E HN 0.690 nan 8.360 nan 0.000 0.521 19 T N 0.458 114.920 114.554 -0.154 0.000 2.837 19 T HA -0.038 4.313 4.350 0.001 0.000 0.248 19 T C 1.592 176.200 174.700 -0.155 0.000 1.033 19 T CA 0.676 62.698 62.100 -0.130 0.000 1.150 19 T CB -0.042 68.775 68.868 -0.086 0.000 0.865 19 T HN 0.135 nan 8.240 nan 0.000 0.425 20 E N 1.055 121.167 120.200 -0.147 0.000 2.028 20 E HA -0.050 4.301 4.350 0.001 0.000 0.191 20 E C 2.359 178.841 176.600 -0.195 0.000 0.988 20 E CA 0.866 57.185 56.400 -0.136 0.000 0.799 20 E CB -0.160 29.479 29.700 -0.102 0.000 0.755 20 E HN 0.239 nan 8.360 nan 0.000 0.447 21 M N 0.348 119.783 119.600 -0.275 0.000 2.089 21 M HA -0.134 4.347 4.480 0.001 0.000 0.257 21 M C -0.703 175.285 176.300 -0.520 0.000 1.071 21 M CA 1.805 56.877 55.300 -0.381 0.000 1.096 21 M CB -1.995 30.333 32.600 -0.454 0.000 1.330 21 M HN 0.041 nan 8.290 nan 0.000 0.403 22 P HA 0.058 nan 4.420 nan 0.000 0.220 22 P C 1.311 178.552 177.300 -0.099 0.000 1.152 22 P CA 1.628 64.501 63.100 -0.379 0.000 0.812 22 P CB -0.251 31.240 31.700 -0.349 0.000 0.792 23 A N 1.653 124.398 122.820 -0.126 0.000 1.859 23 A HA -0.194 4.126 4.320 0.001 0.000 0.217 23 A C 2.091 179.663 177.584 -0.019 0.000 1.198 23 A CA 2.359 54.364 52.037 -0.053 0.000 0.629 23 A CB -1.839 17.123 19.000 -0.062 0.000 0.830 23 A HN 0.204 nan 8.150 nan 0.000 0.446 24 L N -2.737 118.464 121.223 -0.036 0.000 2.156 24 L HA 0.037 4.378 4.340 0.001 0.000 0.208 24 L C 2.109 178.995 176.870 0.027 0.000 1.095 24 L CA 1.596 56.434 54.840 -0.004 0.000 0.770 24 L CB -1.473 40.578 42.059 -0.013 0.000 0.914 24 L HN 0.250 nan 8.230 nan 0.000 0.439 25 L N 1.325 122.553 121.223 0.008 0.000 2.492 25 L HA 0.031 4.371 4.340 0.001 0.000 0.223 25 L C 2.521 179.504 176.870 0.190 0.000 1.132 25 L CA 1.306 56.141 54.840 -0.009 0.000 0.850 25 L CB -0.326 41.633 42.059 -0.166 0.000 0.966 25 L HN 0.509 nan 8.230 nan 0.000 0.454 26 S N -2.463 113.358 115.700 0.202 0.000 2.575 26 S HA 0.045 4.516 4.470 0.001 0.000 0.215 26 S C 1.775 176.490 174.600 0.191 0.000 0.966 26 S CA -0.153 58.194 58.200 0.244 0.000 0.911 26 S CB -0.196 63.114 63.200 0.183 0.000 0.780 26 S HN 0.307 nan 8.310 nan 0.000 0.514 27 R N 0.711 121.312 120.500 0.168 0.000 2.317 27 R HA 0.226 4.567 4.340 0.001 0.000 0.208 27 R C 0.372 176.762 176.300 0.150 0.000 0.914 27 R CA -0.051 56.123 56.100 0.123 0.000 1.060 27 R CB -0.067 30.279 30.300 0.076 0.000 1.015 27 R HN 0.498 nan 8.270 nan 0.000 0.498 28 H N 0.837 119.999 119.070 0.152 0.000 2.767 28 H HA 0.066 4.622 4.556 0.001 0.000 0.316 28 H C -1.721 173.673 175.328 0.110 0.000 1.059 28 H CA -1.572 54.573 56.048 0.162 0.000 1.461 28 H CB 1.676 31.623 29.762 0.309 0.000 1.475 28 H HN -0.065 nan 8.280 nan 0.000 0.531 29 P HA 0.055 nan 4.420 nan 0.000 0.231 29 P C 1.084 178.448 177.300 0.107 0.000 1.168 29 P CA 0.783 63.900 63.100 0.029 0.000 0.779 29 P CB 0.511 32.182 31.700 -0.049 0.000 0.844 30 G N -1.655 107.316 108.800 0.286 0.000 3.062 30 G HA2 0.509 4.470 3.960 0.001 0.000 0.228 30 G HA3 0.509 4.470 3.960 0.001 0.000 0.228 30 G C 0.196 175.187 174.900 0.152 0.000 1.094 30 G CA 0.471 45.712 45.100 0.235 0.000 0.782 30 G HN 0.437 nan 8.290 nan 0.000 0.541 31 A N 0.039 122.949 122.820 0.150 0.000 2.594 31 A HA 0.730 5.051 4.320 0.001 0.000 0.295 31 A C -1.336 176.055 177.584 -0.321 0.000 1.071 31 A CA -0.669 51.219 52.037 -0.248 0.000 0.685 31 A CB 1.747 20.401 19.000 -0.577 0.000 1.285 31 A HN -0.007 nan 8.150 nan 0.000 0.405 32 E N 0.298 120.221 120.200 -0.462 0.000 2.221 32 E HA 0.733 5.084 4.350 0.001 0.000 0.268 32 E C -1.546 174.658 176.600 -0.660 0.000 0.933 32 E CA -0.198 55.997 56.400 -0.343 0.000 0.809 32 E CB 1.752 31.380 29.700 -0.121 0.000 1.190 32 E HN 0.440 nan 8.360 nan 0.000 0.406 33 F N 0.201 120.094 119.950 -0.094 0.000 2.577 33 F HA 0.367 4.895 4.527 0.001 0.000 0.318 33 F C 0.377 175.989 175.800 -0.313 0.000 1.065 33 F CA -0.877 56.971 58.000 -0.254 0.000 0.929 33 F CB 2.015 40.797 39.000 -0.362 0.000 1.237 33 F HN 0.291 nan 8.300 nan 0.000 0.468 34 S N 1.122 116.676 115.700 -0.244 0.000 2.513 34 S HA 0.811 5.282 4.470 0.001 0.000 0.299 34 S C -1.324 172.914 174.600 -0.603 0.000 1.087 34 S CA -0.624 57.419 58.200 -0.261 0.000 1.012 34 S CB 1.077 64.293 63.200 0.025 0.000 1.044 34 S HN 0.359 nan 8.310 nan 0.000 0.485 35 F N 1.828 121.555 119.950 -0.371 0.000 2.480 35 F HA 0.592 5.120 4.527 0.001 0.000 0.329 35 F C 0.787 176.161 175.800 -0.710 0.000 1.091 35 F CA -0.424 57.370 58.000 -0.343 0.000 0.972 35 F CB 1.752 40.663 39.000 -0.150 0.000 1.150 35 F HN 0.624 nan 8.300 nan 0.000 0.467 36 H N 0.348 119.537 119.070 0.199 0.000 3.029 36 H HA 0.532 5.089 4.556 0.001 0.000 0.358 36 H C -1.313 174.066 175.328 0.085 0.000 1.129 36 H CA -0.930 55.181 56.048 0.106 0.000 1.230 36 H CB 2.039 31.836 29.762 0.058 0.000 1.827 36 H HN 0.604 nan 8.280 nan 0.000 0.530 37 S N 1.314 117.111 115.700 0.162 0.000 2.627 37 S HA 0.619 5.090 4.470 0.001 0.000 0.283 37 S C -0.310 174.323 174.600 0.056 0.000 1.127 37 S CA -0.907 57.347 58.200 0.089 0.000 0.863 37 S CB 3.005 66.234 63.200 0.047 0.000 1.121 37 S HN 0.594 nan 8.310 nan 0.000 0.479 38 T N 0.242 114.811 114.554 0.026 0.000 2.906 38 T HA 0.622 4.973 4.350 0.001 0.000 0.295 38 T C -1.465 173.223 174.700 -0.019 0.000 1.061 38 T CA -0.782 61.324 62.100 0.009 0.000 1.000 38 T CB 1.067 69.943 68.868 0.013 0.000 1.103 38 T HN 0.677 nan 8.240 nan 0.000 0.486 39 R N 3.045 123.531 120.500 -0.023 0.000 2.534 39 R HA 0.540 4.881 4.340 0.001 0.000 0.301 39 R C -0.634 175.637 176.300 -0.049 0.000 0.961 39 R CA -0.726 55.347 56.100 -0.044 0.000 0.871 39 R CB 1.951 32.229 30.300 -0.038 0.000 1.170 39 R HN 0.545 nan 8.270 nan 0.000 0.446 40 M N 3.193 122.751 119.600 -0.071 0.000 2.088 40 M HA 0.378 4.859 4.480 0.001 0.000 0.346 40 M C 0.102 176.349 176.300 -0.089 0.000 1.111 40 M CA -0.467 54.794 55.300 -0.065 0.000 1.017 40 M CB 1.370 33.931 32.600 -0.064 0.000 1.568 40 M HN 0.196 nan 8.290 nan 0.000 0.445 41 R N 3.536 123.981 120.500 -0.093 0.000 2.522 41 R HA 0.365 4.706 4.340 0.001 0.000 0.284 41 R C -0.508 175.684 176.300 -0.181 0.000 1.032 41 R CA 0.478 56.483 56.100 -0.158 0.000 1.049 41 R CB 0.604 30.816 30.300 -0.147 0.000 0.956 41 R HN 0.685 nan 8.270 nan 0.000 0.422 42 M N 2.396 121.831 119.600 -0.275 0.000 2.365 42 M HA 0.133 4.613 4.480 0.001 0.000 0.288 42 M C -1.053 175.066 176.300 -0.301 0.000 1.152 42 M CA -0.301 54.868 55.300 -0.218 0.000 0.948 42 M CB 1.975 34.513 32.600 -0.104 0.000 1.729 42 M HN 0.777 nan 8.290 nan 0.000 0.487 43 H N 0.509 119.579 119.070 -0.001 0.000 2.926 43 H HA 0.184 4.741 4.556 0.001 0.000 0.249 43 H C 0.190 175.521 175.328 0.005 0.000 0.963 43 H CA 0.429 56.478 56.048 0.001 0.000 1.158 43 H CB 1.187 30.949 29.762 0.001 0.000 1.445 43 H HN 0.597 nan 8.280 nan 0.000 0.452 44 T N 1.008 115.631 114.554 0.115 0.000 2.786 44 T HA 0.281 4.632 4.350 0.001 0.000 0.283 44 T C -0.186 174.537 174.700 0.040 0.000 0.992 44 T CA -0.736 61.407 62.100 0.073 0.000 0.954 44 T CB 0.950 69.856 68.868 0.063 0.000 0.934 44 T HN -0.032 nan 8.240 nan 0.000 0.440 45 V N 6.043 125.981 119.914 0.040 0.000 1.973 45 V HA 0.315 4.435 4.120 0.001 0.000 0.255 45 V C 0.758 176.856 176.094 0.005 0.000 1.605 45 V CA -0.285 62.028 62.300 0.022 0.000 1.542 45 V CB -1.584 30.270 31.823 0.052 0.000 1.504 45 V HN 0.966 nan 8.190 nan 0.000 0.505 46 S N 2.084 117.783 115.700 -0.001 0.000 2.599 46 S HA 0.647 5.118 4.470 0.001 0.000 0.294 46 S C -2.096 172.494 174.600 -0.016 0.000 1.094 46 S CA -1.703 56.494 58.200 -0.005 0.000 0.931 46 S CB 2.412 65.617 63.200 0.009 0.000 1.093 46 S HN 0.174 nan 8.310 nan 0.000 0.488 47 P HA -0.175 nan 4.420 nan 0.000 0.218 47 P C 1.122 178.417 177.300 -0.008 0.000 1.152 47 P CA 1.515 64.605 63.100 -0.017 0.000 0.857 47 P CB 0.073 31.765 31.700 -0.012 0.000 0.787 48 E N -0.938 119.261 120.200 -0.001 0.000 2.001 48 E HA -0.117 4.233 4.350 0.001 0.000 0.195 48 E C 2.382 178.984 176.600 0.003 0.000 1.002 48 E CA 1.376 57.778 56.400 0.003 0.000 0.819 48 E CB -1.095 28.610 29.700 0.009 0.000 0.769 48 E HN 0.212 nan 8.360 nan 0.000 0.454 49 G N 1.259 110.062 108.800 0.004 0.000 2.442 49 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 49 G HA3 -0.246 3.715 3.960 0.001 0.000 0.219 49 G C 1.503 176.397 174.900 -0.009 0.000 1.141 49 G CA 0.457 45.558 45.100 0.000 0.000 0.763 49 G HN 0.024 nan 8.290 nan 0.000 0.554 50 L N 1.371 122.588 121.223 -0.011 0.000 1.989 50 L HA -0.007 4.333 4.340 0.001 0.000 0.211 50 L C 3.272 180.142 176.870 -0.001 0.000 1.071 50 L CA 1.843 56.675 54.840 -0.013 0.000 0.749 50 L CB -1.203 40.840 42.059 -0.027 0.000 0.890 50 L HN 0.304 nan 8.230 nan 0.000 0.431 51 A N -1.044 121.776 122.820 -0.000 0.000 1.877 51 A HA -0.129 4.192 4.320 0.001 0.000 0.216 51 A C 2.415 180.004 177.584 0.009 0.000 1.186 51 A CA 1.853 53.894 52.037 0.006 0.000 0.620 51 A CB -0.915 18.087 19.000 0.004 0.000 0.822 51 A HN 0.424 nan 8.150 nan 0.000 0.443 52 A N -1.019 121.803 122.820 0.004 0.000 2.015 52 A HA -0.046 4.274 4.320 0.001 0.000 0.219 52 A C 2.207 179.790 177.584 -0.002 0.000 1.163 52 A CA 1.653 53.691 52.037 0.002 0.000 0.646 52 A CB -0.485 18.515 19.000 -0.001 0.000 0.806 52 A HN 0.602 nan 8.150 nan 0.000 0.448 53 M N -0.291 119.306 119.600 -0.006 0.000 2.077 53 M HA -0.154 4.327 4.480 0.001 0.000 0.261 53 M C 1.586 177.902 176.300 0.027 0.000 1.070 53 M CA 1.784 57.079 55.300 -0.008 0.000 1.125 53 M CB -0.356 32.231 32.600 -0.023 0.000 1.339 53 M HN 0.378 nan 8.290 nan 0.000 0.409 54 N N 1.156 119.886 118.700 0.049 0.000 2.205 54 N HA -0.103 4.638 4.740 0.001 0.000 0.186 54 N C 1.563 177.113 175.510 0.067 0.000 1.015 54 N CA 1.609 54.713 53.050 0.091 0.000 0.862 54 N CB -0.569 37.961 38.487 0.071 0.000 0.986 54 N HN 0.460 nan 8.380 nan 0.000 0.429 55 A N 0.522 123.365 122.820 0.037 0.000 2.178 55 A HA -0.112 4.209 4.320 0.001 0.000 0.218 55 A C 1.818 179.420 177.584 0.030 0.000 1.157 55 A CA 0.966 53.019 52.037 0.028 0.000 0.689 55 A CB -0.305 18.704 19.000 0.016 0.000 0.787 55 A HN 0.363 nan 8.150 nan 0.000 0.465 56 Q N -1.259 118.562 119.800 0.035 0.000 2.360 56 Q HA 0.101 4.441 4.340 0.001 0.000 0.202 56 Q C 1.892 177.921 176.000 0.049 0.000 0.915 56 Q CA -0.030 55.790 55.803 0.029 0.000 0.943 56 Q CB 0.105 28.849 28.738 0.010 0.000 1.064 56 Q HN 0.711 nan 8.270 nan 0.000 0.511 57 R N 1.805 122.356 120.500 0.085 0.000 2.096 57 R HA -0.227 4.113 4.340 0.001 0.000 0.240 57 R C 1.781 178.135 176.300 0.091 0.000 1.139 57 R CA 2.154 58.335 56.100 0.135 0.000 0.952 57 R CB 0.045 30.446 30.300 0.168 0.000 0.854 57 R HN 0.395 nan 8.270 nan 0.000 0.436 58 E N 0.105 120.340 120.200 0.058 0.000 2.047 58 E HA -0.254 4.097 4.350 0.001 0.000 0.191 58 E C 2.211 178.831 176.600 0.035 0.000 0.987 58 E CA 0.744 57.169 56.400 0.041 0.000 0.799 58 E CB -0.577 29.139 29.700 0.027 0.000 0.752 58 E HN 0.316 nan 8.360 nan 0.000 0.449 59 R N 1.015 121.533 120.500 0.029 0.000 2.094 59 R HA -0.182 4.159 4.340 0.001 0.000 0.239 59 R C 2.316 178.631 176.300 0.025 0.000 1.137 59 R CA 2.106 58.219 56.100 0.022 0.000 0.943 59 R CB -0.699 29.610 30.300 0.017 0.000 0.850 59 R HN 0.295 nan 8.270 nan 0.000 0.433 60 C N -0.114 119.204 119.300 0.030 0.000 2.403 60 C HA -0.085 4.375 4.460 0.001 0.000 0.277 60 C C 2.676 177.689 174.990 0.038 0.000 1.248 60 C CA 0.755 59.790 59.018 0.029 0.000 1.762 60 C CB -0.605 27.152 27.740 0.029 0.000 2.014 60 C HN 0.418 nan 8.230 nan 0.000 0.486 61 V N 0.050 119.994 119.914 0.050 0.000 2.599 61 V HA -0.071 4.050 4.120 0.001 0.000 0.245 61 V C 2.208 178.323 176.094 0.034 0.000 1.046 61 V CA 1.275 63.607 62.300 0.054 0.000 1.065 61 V CB -0.409 31.454 31.823 0.067 0.000 0.703 61 V HN 0.519 nan 8.190 nan 0.000 0.464 62 L N -0.200 121.039 121.223 0.027 0.000 2.012 62 L HA -0.230 4.111 4.340 0.001 0.000 0.210 62 L C 2.562 179.440 176.870 0.014 0.000 1.073 62 L CA 1.903 56.753 54.840 0.017 0.000 0.748 62 L CB -0.725 41.342 42.059 0.014 0.000 0.891 62 L HN 0.367 nan 8.230 nan 0.000 0.431 63 E N -0.070 120.140 120.200 0.016 0.000 2.097 63 E HA -0.289 4.062 4.350 0.001 0.000 0.196 63 E C 2.174 178.782 176.600 0.012 0.000 1.000 63 E CA 1.705 58.113 56.400 0.014 0.000 0.804 63 E CB -0.112 29.597 29.700 0.016 0.000 0.740 63 E HN 0.496 nan 8.360 nan 0.000 0.454 64 I N -0.129 120.451 120.570 0.018 0.000 2.731 64 I HA -0.062 4.109 4.170 0.001 0.000 0.260 64 I C 2.214 178.331 176.117 0.000 0.000 1.138 64 I CA 0.556 61.865 61.300 0.015 0.000 1.461 64 I CB 0.017 38.037 38.000 0.033 0.000 1.128 64 I HN 0.007 nan 8.210 nan 0.000 0.438 65 A N 0.621 123.445 122.820 0.007 0.000 1.954 65 A HA -0.368 3.952 4.320 0.001 0.000 0.222 65 A C 1.895 179.469 177.584 -0.016 0.000 1.199 65 A CA 2.587 54.623 52.037 -0.001 0.000 0.657 65 A CB -1.034 17.969 19.000 0.005 0.000 0.823 65 A HN 0.483 nan 8.150 nan 0.000 0.463 66 D N -0.470 119.921 120.400 -0.014 0.000 2.172 66 D HA -0.110 4.530 4.640 0.001 0.000 0.196 66 D C 2.102 178.378 176.300 -0.039 0.000 0.999 66 D CA 1.657 55.645 54.000 -0.020 0.000 0.856 66 D CB -0.348 40.446 40.800 -0.011 0.000 0.934 66 D HN 0.503 nan 8.370 nan 0.000 0.453 67 A N 0.092 122.876 122.820 -0.060 0.000 2.119 67 A HA 0.351 4.671 4.320 0.001 0.000 0.216 67 A C 1.262 178.771 177.584 -0.125 0.000 1.152 67 A CA 1.233 53.201 52.037 -0.116 0.000 0.708 67 A CB -0.238 18.648 19.000 -0.190 0.000 0.805 67 A HN 0.418 nan 8.150 nan 0.000 0.460 68 A N -0.748 122.023 122.820 -0.081 0.000 2.648 68 A HA -0.068 4.253 4.320 0.001 0.000 0.297 68 A C -1.385 176.150 177.584 -0.082 0.000 1.467 68 A CA 0.307 52.305 52.037 -0.066 0.000 0.731 68 A CB -2.358 16.609 19.000 -0.056 0.000 1.085 68 A HN 0.551 nan 8.150 nan 0.000 0.437 69 P HA 0.057 nan 4.420 nan 0.000 0.269 69 P C 0.671 177.957 177.300 -0.023 0.000 1.217 69 P CA 0.184 63.255 63.100 -0.050 0.000 0.783 69 P CB 0.586 32.283 31.700 -0.004 0.000 0.898 70 E N -0.586 119.608 120.200 -0.011 0.000 2.318 70 E HA 0.104 4.455 4.350 0.001 0.000 0.193 70 E C -0.157 176.454 176.600 0.018 0.000 0.998 70 E CA 0.431 56.830 56.400 -0.001 0.000 0.859 70 E CB 0.387 30.084 29.700 -0.005 0.000 0.812 70 E HN 0.236 nan 8.360 nan 0.000 0.492 71 V N 0.975 120.908 119.914 0.032 0.000 3.000 71 V HA 0.337 4.458 4.120 0.001 0.000 0.300 71 V C -0.812 175.319 176.094 0.061 0.000 1.251 71 V CA -0.755 61.573 62.300 0.046 0.000 0.972 71 V CB 2.152 34.008 31.823 0.055 0.000 1.065 71 V HN -0.018 nan 8.190 nan 0.000 0.431 72 I N 4.107 124.718 120.570 0.069 0.000 2.382 72 I HA 0.423 4.594 4.170 0.001 0.000 0.286 72 I C -0.908 175.269 176.117 0.101 0.000 1.002 72 I CA -0.639 60.712 61.300 0.084 0.000 1.135 72 I CB 1.789 39.836 38.000 0.078 0.000 1.288 72 I HN 0.482 nan 8.210 nan 0.000 0.448 73 L N 8.267 129.552 121.223 0.103 0.000 2.260 73 L HA 0.326 4.666 4.340 0.001 0.000 0.289 73 L C -0.777 176.158 176.870 0.110 0.000 1.057 73 L CA -0.141 54.762 54.840 0.104 0.000 0.811 73 L CB 0.457 42.568 42.059 0.086 0.000 1.184 73 L HN 0.386 nan 8.230 nan 0.000 0.429 74 Y N 4.552 124.868 120.300 0.028 0.000 2.496 74 Y HA 0.373 4.924 4.550 0.001 0.000 0.334 74 Y C 0.902 176.806 175.900 0.007 0.000 1.080 74 Y CA 0.476 58.586 58.100 0.017 0.000 1.355 74 Y CB 1.231 39.700 38.460 0.016 0.000 1.193 74 Y HN 0.771 nan 8.280 nan 0.000 0.523 75 A N 4.977 127.653 122.820 -0.241 0.000 2.460 75 A HA 0.255 4.576 4.320 0.001 0.000 0.258 75 A C -0.209 177.315 177.584 -0.100 0.000 1.300 75 A CA -0.233 51.735 52.037 -0.115 0.000 0.913 75 A CB -0.883 18.044 19.000 -0.122 0.000 1.031 75 A HN 0.622 nan 8.150 nan 0.000 0.512 76 C N -0.192 119.062 119.300 -0.077 0.000 2.350 76 C HA 0.504 4.964 4.460 0.001 0.000 0.348 76 C C 1.434 176.457 174.990 0.055 0.000 1.260 76 C CA -0.594 58.423 59.018 -0.001 0.000 1.966 76 C CB 1.127 28.896 27.740 0.049 0.000 2.380 76 C HN 0.588 nan 8.230 nan 0.000 0.535 77 L N 3.467 124.693 121.223 0.004 0.000 2.546 77 L HA 0.195 4.535 4.340 0.001 0.000 0.182 77 L C 2.163 178.968 176.870 -0.109 0.000 1.167 77 L CA 1.598 56.413 54.840 -0.041 0.000 0.845 77 L CB -1.307 40.752 42.059 0.001 0.000 1.134 77 L HN 0.500 nan 8.230 nan 0.000 0.500 78 V N 1.235 121.077 119.914 -0.120 0.000 2.490 78 V HA -0.165 3.955 4.120 0.001 0.000 0.250 78 V C 2.746 178.714 176.094 -0.209 0.000 1.061 78 V CA 1.702 63.816 62.300 -0.310 0.000 1.064 78 V CB -0.518 30.881 31.823 -0.706 0.000 0.670 78 V HN 0.582 nan 8.190 nan 0.000 0.461 79 A N -1.041 121.719 122.820 -0.101 0.000 2.070 79 A HA -0.093 4.227 4.320 0.001 0.000 0.220 79 A C 2.215 179.794 177.584 -0.010 0.000 1.159 79 A CA 1.965 53.984 52.037 -0.031 0.000 0.656 79 A CB -0.335 18.689 19.000 0.040 0.000 0.800 79 A HN 0.454 nan 8.150 nan 0.000 0.453 80 V N -0.784 119.102 119.914 -0.048 0.000 2.492 80 V HA -0.113 4.008 4.120 0.001 0.000 0.241 80 V C 2.400 178.392 176.094 -0.170 0.000 1.041 80 V CA 1.539 63.793 62.300 -0.077 0.000 1.057 80 V CB -0.501 31.282 31.823 -0.067 0.000 0.711 80 V HN 0.535 nan 8.190 nan 0.000 0.468 81 M N -0.356 119.031 119.600 -0.355 0.000 2.549 81 M HA -0.087 4.393 4.480 0.001 0.000 0.260 81 M C 2.079 178.314 176.300 -0.110 0.000 1.076 81 M CA 1.103 56.113 55.300 -0.484 0.000 1.090 81 M CB -0.280 31.955 32.600 -0.608 0.000 1.418 81 M HN 0.293 nan 8.290 nan 0.000 0.486 82 V N -0.026 119.826 119.914 -0.103 0.000 3.217 82 V HA -0.017 4.103 4.120 0.001 0.000 0.264 82 V C 1.820 177.919 176.094 0.007 0.000 1.135 82 V CA 1.655 63.922 62.300 -0.056 0.000 1.142 82 V CB -0.361 31.409 31.823 -0.089 0.000 0.754 82 V HN 0.528 nan 8.190 nan 0.000 0.484 83 G N -0.798 108.026 108.800 0.040 0.000 3.088 83 G HA2 0.496 4.457 3.960 0.001 0.000 0.217 83 G HA3 0.496 4.457 3.960 0.001 0.000 0.217 83 G C 0.682 175.640 174.900 0.096 0.000 1.159 83 G CA 0.538 45.671 45.100 0.055 0.000 0.760 83 G HN 1.228 nan 8.290 nan 0.000 0.550 84 G N -0.497 108.404 108.800 0.168 0.000 2.539 84 G HA2 0.088 4.048 3.960 0.001 0.000 0.686 84 G HA3 0.088 4.048 3.960 0.001 0.000 0.686 84 G C -3.171 171.798 174.900 0.115 0.000 1.258 84 G CA -1.060 44.119 45.100 0.132 0.000 0.846 84 G HN 0.081 nan 8.290 nan 0.000 0.647 85 P HA 0.313 nan 4.420 nan 0.000 0.260 85 P C 1.137 178.291 177.300 -0.244 0.000 1.172 85 P CA 2.395 65.270 63.100 -0.375 0.000 0.760 85 P CB 0.504 32.075 31.700 -0.216 0.000 0.773 86 G N 3.008 111.604 108.800 -0.340 0.000 2.143 86 G HA2 -0.302 3.658 3.960 0.001 0.000 0.248 86 G HA3 -0.302 3.658 3.960 0.001 0.000 0.248 86 G C 1.033 176.022 174.900 0.150 0.000 0.991 86 G CA 0.493 45.615 45.100 0.036 0.000 0.689 86 G HN 0.530 nan 8.290 nan 0.000 0.522 87 E N 0.777 121.165 120.200 0.313 0.000 2.106 87 E HA -0.149 4.202 4.350 0.001 0.000 0.192 87 E C 2.260 178.954 176.600 0.158 0.000 0.984 87 E CA 1.865 58.409 56.400 0.240 0.000 0.806 87 E CB -0.345 29.525 29.700 0.283 0.000 0.750 87 E HN 0.811 nan 8.360 nan 0.000 0.458 88 H N -0.682 118.494 119.070 0.177 0.000 2.387 88 H HA -0.139 4.417 4.556 0.001 0.000 0.299 88 H C 1.584 176.871 175.328 -0.068 0.000 1.090 88 H CA 1.749 57.790 56.048 -0.011 0.000 1.332 88 H CB -0.719 29.017 29.762 -0.043 0.000 1.386 88 H HN 0.353 nan 8.280 nan 0.000 0.516 89 H N 1.619 120.346 119.070 -0.572 0.000 2.319 89 H HA -0.063 4.493 4.556 0.001 0.000 0.297 89 H C 2.527 177.759 175.328 -0.159 0.000 1.097 89 H CA 1.679 57.513 56.048 -0.356 0.000 1.285 89 H CB 0.005 29.574 29.762 -0.323 0.000 1.368 89 H HN 0.421 nan 8.280 nan 0.000 0.495 90 R N 0.072 120.574 120.500 0.002 0.000 2.081 90 R HA -0.067 4.274 4.340 0.001 0.000 0.235 90 R C 2.579 178.848 176.300 -0.052 0.000 1.131 90 R CA 1.051 57.141 56.100 -0.016 0.000 0.960 90 R CB -0.288 30.007 30.300 -0.009 0.000 0.856 90 R HN 0.062 nan 8.270 nan 0.000 0.436 91 V N 1.390 121.251 119.914 -0.089 0.000 2.358 91 V HA -0.205 3.916 4.120 0.001 0.000 0.246 91 V C 1.981 177.979 176.094 -0.161 0.000 1.047 91 V CA 1.750 63.943 62.300 -0.178 0.000 1.035 91 V CB -0.332 31.303 31.823 -0.314 0.000 0.658 91 V HN 0.332 nan 8.190 nan 0.000 0.452 92 E N -0.352 119.786 120.200 -0.103 0.000 2.077 92 E HA -0.212 4.138 4.350 0.001 0.000 0.193 92 E C 2.415 179.001 176.600 -0.024 0.000 0.989 92 E CA 1.526 57.899 56.400 -0.046 0.000 0.800 92 E CB -0.265 29.430 29.700 -0.008 0.000 0.746 92 E HN 0.479 nan 8.360 nan 0.000 0.452 93 S N 0.110 115.798 115.700 -0.021 0.000 2.356 93 S HA -0.185 4.286 4.470 0.001 0.000 0.223 93 S C 2.058 176.649 174.600 -0.015 0.000 1.032 93 S CA 1.171 59.367 58.200 -0.008 0.000 1.005 93 S CB -0.183 63.014 63.200 -0.004 0.000 0.867 93 S HN 0.356 nan 8.310 nan 0.000 0.449 94 A N 0.777 123.579 122.820 -0.031 0.000 1.877 94 A HA -0.038 4.282 4.320 0.001 0.000 0.216 94 A C 2.347 179.920 177.584 -0.018 0.000 1.186 94 A CA 1.894 53.915 52.037 -0.028 0.000 0.620 94 A CB -1.163 17.811 19.000 -0.044 0.000 0.822 94 A HN 0.429 nan 8.150 nan 0.000 0.443 95 V N -0.096 119.803 119.914 -0.025 0.000 2.261 95 V HA -0.276 3.845 4.120 0.001 0.000 0.246 95 V C 3.100 179.203 176.094 0.014 0.000 1.047 95 V CA 2.083 64.386 62.300 0.006 0.000 1.015 95 V CB -1.358 30.479 31.823 0.024 0.000 0.642 95 V HN 0.647 nan 8.190 nan 0.000 0.446 96 A N -0.459 122.367 122.820 0.011 0.000 1.884 96 A HA -0.327 3.993 4.320 0.001 0.000 0.219 96 A C 2.158 179.749 177.584 0.011 0.000 1.197 96 A CA 2.353 54.400 52.037 0.015 0.000 0.637 96 A CB -0.647 18.362 19.000 0.015 0.000 0.827 96 A HN 0.654 nan 8.150 nan 0.000 0.450 97 E N -1.094 119.110 120.200 0.006 0.000 2.153 97 E HA -0.240 4.111 4.350 0.001 0.000 0.194 97 E C 2.258 178.861 176.600 0.006 0.000 0.988 97 E CA 1.176 57.578 56.400 0.004 0.000 0.811 97 E CB -0.127 29.573 29.700 0.000 0.000 0.746 97 E HN 0.822 nan 8.360 nan 0.000 0.466 98 Q N 0.864 120.669 119.800 0.008 0.000 1.993 98 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 98 Q C 2.299 178.307 176.000 0.012 0.000 0.984 98 Q CA 1.225 57.035 55.803 0.011 0.000 0.837 98 Q CB -0.083 28.665 28.738 0.017 0.000 0.902 98 Q HN 0.233 nan 8.270 nan 0.000 0.423 99 L N 0.379 121.612 121.223 0.015 0.000 1.991 99 L HA -0.309 4.032 4.340 0.001 0.000 0.221 99 L C 2.615 179.490 176.870 0.008 0.000 1.079 99 L CA 1.621 56.469 54.840 0.014 0.000 0.778 99 L CB -0.857 41.212 42.059 0.017 0.000 0.893 99 L HN 0.354 nan 8.230 nan 0.000 0.437 100 A N -1.121 121.704 122.820 0.008 0.000 1.933 100 A HA -0.238 4.082 4.320 0.001 0.000 0.218 100 A C 2.425 180.011 177.584 0.004 0.000 1.175 100 A CA 2.273 54.313 52.037 0.005 0.000 0.628 100 A CB -0.941 18.063 19.000 0.005 0.000 0.814 100 A HN 0.465 nan 8.150 nan 0.000 0.444 101 T N -0.752 113.805 114.554 0.004 0.000 2.759 101 T HA 0.009 4.360 4.350 0.001 0.000 0.269 101 T C 1.071 175.773 174.700 0.003 0.000 1.042 101 T CA 1.829 63.931 62.100 0.003 0.000 1.140 101 T CB -0.369 68.502 68.868 0.004 0.000 0.864 101 T HN 0.552 nan 8.240 nan 0.000 0.455 102 G N -1.323 107.479 108.800 0.004 0.000 4.782 102 G HA2 0.499 4.459 3.960 0.001 0.000 0.327 102 G HA3 0.499 4.459 3.960 0.001 0.000 0.327 102 G C 0.893 175.794 174.900 0.001 0.000 1.466 102 G CA -0.066 45.036 45.100 0.003 0.000 1.017 102 G HN 0.734 nan 8.290 nan 0.000 0.543 103 G N 0.934 109.735 108.800 0.000 0.000 3.639 103 G HA2 -0.330 3.631 3.960 0.001 0.000 0.224 103 G HA3 -0.330 3.631 3.960 0.001 0.000 0.224 103 G C 1.191 176.090 174.900 -0.002 0.000 1.339 103 G CA 0.754 45.853 45.100 -0.001 0.000 0.933 103 G HN 1.614 nan 8.290 nan 0.000 0.568 104 S N 1.159 116.859 115.700 -0.001 0.000 2.552 104 S HA 0.327 4.797 4.470 0.001 0.000 0.289 104 S C 1.123 175.724 174.600 0.002 0.000 1.304 104 S CA 1.037 59.236 58.200 -0.001 0.000 1.063 104 S CB 0.768 63.968 63.200 0.001 0.000 0.848 104 S HN 0.504 nan 8.310 nan 0.000 0.499 105 Q N 2.437 122.237 119.800 0.000 0.000 2.247 105 Q HA 0.250 4.590 4.340 0.001 0.000 0.204 105 Q C 0.493 176.497 176.000 0.006 0.000 0.872 105 Q CA -0.239 55.565 55.803 0.003 0.000 0.951 105 Q CB 0.470 29.208 28.738 -0.001 0.000 1.099 105 Q HN 0.822 nan 8.270 nan 0.000 0.501 106 A N 1.231 124.056 122.820 0.008 0.000 2.520 106 A HA 0.153 4.473 4.320 0.001 0.000 0.245 106 A C 0.141 177.739 177.584 0.023 0.000 1.072 106 A CA -0.071 51.975 52.037 0.014 0.000 0.761 106 A CB 0.109 19.118 19.000 0.016 0.000 1.004 106 A HN 0.353 nan 8.150 nan 0.000 0.499 107 L N 2.219 123.458 121.223 0.027 0.000 2.467 107 L HA 0.280 4.620 4.340 0.001 0.000 0.270 107 L C -0.166 176.731 176.870 0.045 0.000 1.205 107 L CA -0.302 54.558 54.840 0.033 0.000 0.828 107 L CB 0.659 42.738 42.059 0.033 0.000 1.101 107 L HN 0.431 nan 8.230 nan 0.000 0.479 108 V N 3.005 122.949 119.914 0.049 0.000 2.448 108 V HA 0.592 4.712 4.120 0.001 0.000 0.295 108 V C -0.152 175.985 176.094 0.070 0.000 1.025 108 V CA -0.780 61.557 62.300 0.062 0.000 0.859 108 V CB 1.623 33.478 31.823 0.054 0.000 0.988 108 V HN 0.655 nan 8.190 nan 0.000 0.431 109 R N 2.320 122.872 120.500 0.087 0.000 2.725 109 R HA 0.681 5.021 4.340 0.001 0.000 0.277 109 R C -0.647 175.724 176.300 0.118 0.000 0.987 109 R CA -0.545 55.610 56.100 0.091 0.000 0.901 109 R CB 2.319 32.667 30.300 0.079 0.000 1.207 109 R HN 0.850 nan 8.270 nan 0.000 0.463 110 S N -0.635 115.131 115.700 0.109 0.000 2.568 110 S HA 0.332 4.803 4.470 0.001 0.000 0.302 110 S C 0.748 175.386 174.600 0.064 0.000 1.082 110 S CA -0.623 57.660 58.200 0.139 0.000 1.009 110 S CB 2.022 65.298 63.200 0.126 0.000 1.069 110 S HN 0.432 nan 8.310 nan 0.000 0.500 111 S N 1.738 117.475 115.700 0.061 0.000 2.359 111 S HA -0.151 4.320 4.470 0.001 0.000 0.223 111 S C 2.325 176.891 174.600 -0.056 0.000 1.039 111 S CA 1.640 59.842 58.200 0.003 0.000 1.042 111 S CB -1.133 62.066 63.200 -0.002 0.000 0.915 111 S HN 1.000 nan 8.310 nan 0.000 0.439 112 A N 1.586 124.352 122.820 -0.089 0.000 1.884 112 A HA -0.096 4.224 4.320 0.001 0.000 0.219 112 A C 2.348 179.737 177.584 -0.326 0.000 1.197 112 A CA 2.152 54.060 52.037 -0.215 0.000 0.637 112 A CB -1.697 17.136 19.000 -0.277 0.000 0.827 112 A HN 0.547 nan 8.150 nan 0.000 0.450 113 G N -0.697 107.884 108.800 -0.364 0.000 2.545 113 G HA2 -0.079 3.881 3.960 0.001 0.000 0.217 113 G HA3 -0.079 3.881 3.960 0.001 0.000 0.217 113 G C 1.829 176.634 174.900 -0.158 0.000 1.218 113 G CA 1.992 46.843 45.100 -0.415 0.000 0.787 113 G HN 1.030 nan 8.290 nan 0.000 0.571 114 A N 0.182 122.970 122.820 -0.054 0.000 1.978 114 A HA -0.011 4.310 4.320 0.001 0.000 0.220 114 A C 2.375 179.947 177.584 -0.021 0.000 1.170 114 A CA 1.879 53.924 52.037 0.014 0.000 0.636 114 A CB -0.458 18.567 19.000 0.042 0.000 0.810 114 A HN 0.484 nan 8.150 nan 0.000 0.448 115 L N -0.031 121.148 121.223 -0.073 0.000 1.990 115 L HA -0.157 4.183 4.340 0.001 0.000 0.213 115 L C 2.441 179.249 176.870 -0.105 0.000 1.072 115 L CA 2.229 57.008 54.840 -0.101 0.000 0.755 115 L CB -0.754 41.233 42.059 -0.121 0.000 0.889 115 L HN 0.175 nan 8.230 nan 0.000 0.432 116 V N -0.285 119.594 119.914 -0.059 0.000 2.307 116 V HA -0.288 3.832 4.120 0.001 0.000 0.245 116 V C 2.585 178.751 176.094 0.121 0.000 1.045 116 V CA 1.901 64.251 62.300 0.085 0.000 1.024 116 V CB -0.696 31.224 31.823 0.161 0.000 0.651 116 V HN 0.604 nan 8.190 nan 0.000 0.449 117 E N 0.153 120.400 120.200 0.078 0.000 2.147 117 E HA -0.239 4.112 4.350 0.001 0.000 0.199 117 E C 2.142 178.758 176.600 0.026 0.000 1.005 117 E CA 1.617 58.082 56.400 0.109 0.000 0.810 117 E CB -0.312 29.477 29.700 0.148 0.000 0.736 117 E HN 0.621 nan 8.360 nan 0.000 0.460 118 G N 0.259 109.011 108.800 -0.080 0.000 2.459 118 G HA2 -0.123 3.837 3.960 0.001 0.000 0.213 118 G HA3 -0.123 3.837 3.960 0.001 0.000 0.213 118 G C 1.408 176.173 174.900 -0.226 0.000 1.155 118 G CA -0.015 44.900 45.100 -0.307 0.000 0.811 118 G HN 0.134 nan 8.290 nan 0.000 0.534 119 L N 0.941 122.075 121.223 -0.148 0.000 2.013 119 L HA -0.022 4.319 4.340 0.001 0.000 0.212 119 L C 2.875 179.789 176.870 0.074 0.000 1.073 119 L CA 1.577 56.338 54.840 -0.132 0.000 0.753 119 L CB -0.824 40.971 42.059 -0.441 0.000 0.890 119 L HN 0.157 nan 8.230 nan 0.000 0.432 120 R N -1.422 119.186 120.500 0.180 0.000 2.092 120 R HA -0.084 4.257 4.340 0.001 0.000 0.231 120 R C 2.132 178.476 176.300 0.074 0.000 1.119 120 R CA 1.139 57.343 56.100 0.174 0.000 0.970 120 R CB -0.379 30.027 30.300 0.178 0.000 0.864 120 R HN 0.410 nan 8.270 nan 0.000 0.440 121 A N 0.536 123.357 122.820 0.000 0.000 2.067 121 A HA -0.074 4.246 4.320 0.001 0.000 0.219 121 A C 1.943 179.509 177.584 -0.031 0.000 1.158 121 A CA 0.959 52.987 52.037 -0.016 0.000 0.661 121 A CB -0.238 18.686 19.000 -0.127 0.000 0.801 121 A HN 0.214 nan 8.150 nan 0.000 0.452 122 L N -1.485 119.706 121.223 -0.054 0.000 2.446 122 L HA 0.006 4.347 4.340 0.001 0.000 0.219 122 L C 0.083 176.963 176.870 0.017 0.000 1.116 122 L CA 0.400 55.221 54.840 -0.031 0.000 0.844 122 L CB -0.110 41.913 42.059 -0.060 0.000 0.970 122 L HN 0.353 nan 8.230 nan 0.000 0.457 123 D N 0.117 120.545 120.400 0.047 0.000 2.947 123 D HA -0.130 4.510 4.640 0.001 0.000 0.224 123 D C 0.270 176.619 176.300 0.081 0.000 1.132 123 D CA 0.743 54.781 54.000 0.063 0.000 0.801 123 D CB -0.504 40.322 40.800 0.043 0.000 1.097 123 D HN 0.319 nan 8.370 nan 0.000 0.431 124 A N 0.186 123.079 122.820 0.121 0.000 2.363 124 A HA 0.391 4.711 4.320 0.001 0.000 0.270 124 A C 1.084 178.827 177.584 0.265 0.000 1.121 124 A CA 0.158 52.284 52.037 0.148 0.000 0.800 124 A CB 1.535 20.588 19.000 0.090 0.000 1.052 124 A HN 0.173 nan 8.150 nan 0.000 0.493 125 Q N 1.406 121.323 119.800 0.194 0.000 2.548 125 Q HA 0.169 4.510 4.340 0.001 0.000 0.230 125 Q C 0.265 176.403 176.000 0.230 0.000 0.899 125 Q CA 0.910 56.837 55.803 0.205 0.000 0.936 125 Q CB 0.357 29.144 28.738 0.082 0.000 1.114 125 Q HN 0.745 nan 8.270 nan 0.000 0.606 126 R N 0.507 121.087 120.500 0.134 0.000 2.207 126 R HA 0.516 4.857 4.340 0.001 0.000 0.334 126 R C -1.296 175.042 176.300 0.063 0.000 1.013 126 R CA -0.332 55.825 56.100 0.096 0.000 0.858 126 R CB 1.620 31.954 30.300 0.057 0.000 1.094 126 R HN -0.011 nan 8.270 nan 0.000 0.457 127 V N 2.032 121.979 119.914 0.056 0.000 2.680 127 V HA 0.720 4.841 4.120 0.001 0.000 0.309 127 V C -0.163 175.931 176.094 0.001 0.000 1.052 127 V CA -0.944 61.347 62.300 -0.015 0.000 0.908 127 V CB 1.861 33.617 31.823 -0.111 0.000 1.001 127 V HN 0.867 nan 8.190 nan 0.000 0.431 128 A N 5.130 127.933 122.820 -0.028 0.000 2.356 128 A HA 1.028 5.349 4.320 0.001 0.000 0.323 128 A C -0.834 176.738 177.584 -0.020 0.000 1.119 128 A CA -0.639 51.394 52.037 -0.007 0.000 0.790 128 A CB 1.557 20.526 19.000 -0.052 0.000 1.273 128 A HN 1.163 nan 8.150 nan 0.000 0.452 129 L N -0.900 120.344 121.223 0.034 0.000 2.424 129 L HA 0.928 5.268 4.340 0.001 0.000 0.258 129 L C -1.453 175.441 176.870 0.040 0.000 0.995 129 L CA -1.110 53.740 54.840 0.017 0.000 0.821 129 L CB 1.878 43.938 42.059 0.002 0.000 1.383 129 L HN 0.334 nan 8.230 nan 0.000 0.410 130 V N 0.770 120.678 119.914 -0.009 0.000 2.448 130 V HA 0.729 4.850 4.120 0.001 0.000 0.295 130 V C 0.146 176.188 176.094 -0.086 0.000 1.025 130 V CA 0.002 62.291 62.300 -0.018 0.000 0.859 130 V CB 1.824 33.631 31.823 -0.027 0.000 0.988 130 V HN 1.022 nan 8.190 nan 0.000 0.431 131 T N 2.149 116.641 114.554 -0.103 0.000 2.906 131 T HA 0.572 4.923 4.350 0.001 0.000 0.295 131 T C -2.261 172.259 174.700 -0.300 0.000 1.061 131 T CA -1.989 59.914 62.100 -0.330 0.000 1.000 131 T CB 2.700 71.328 68.868 -0.399 0.000 1.103 131 T HN 0.410 nan 8.240 nan 0.000 0.486 132 P HA 0.111 nan 4.420 nan 0.000 0.235 132 P C -0.028 177.208 177.300 -0.107 0.000 1.177 132 P CA 0.132 63.084 63.100 -0.247 0.000 0.785 132 P CB -0.110 31.452 31.700 -0.231 0.000 0.885 133 Y N 0.032 120.346 120.300 0.024 0.000 2.279 133 Y HA 0.104 4.654 4.550 0.001 0.000 0.350 133 Y C 1.837 177.760 175.900 0.040 0.000 1.288 133 Y CA -0.721 57.390 58.100 0.019 0.000 1.547 133 Y CB -0.641 37.817 38.460 -0.004 0.000 1.381 133 Y HN -0.169 nan 8.280 nan 0.000 0.630 134 M N 1.157 120.891 119.600 0.224 0.000 2.248 134 M HA 0.061 4.542 4.480 0.001 0.000 0.337 134 M C 1.420 177.821 176.300 0.167 0.000 1.121 134 M CA 0.326 55.715 55.300 0.147 0.000 1.155 134 M CB 0.325 32.981 32.600 0.094 0.000 1.514 134 M HN 0.693 nan 8.290 nan 0.000 0.452 135 R N 1.959 122.560 120.500 0.169 0.000 2.096 135 R HA -0.164 4.176 4.340 0.001 0.000 0.240 135 R C -0.733 175.650 176.300 0.138 0.000 1.139 135 R CA 1.618 57.852 56.100 0.223 0.000 0.952 135 R CB -1.605 28.842 30.300 0.244 0.000 0.854 135 R HN 0.551 nan 8.270 nan 0.000 0.436 136 P HA -0.138 nan 4.420 nan 0.000 0.218 136 P C 1.258 178.551 177.300 -0.013 0.000 1.148 136 P CA 1.285 64.409 63.100 0.040 0.000 0.822 136 P CB -0.056 31.663 31.700 0.032 0.000 0.784 137 L N -1.800 119.406 121.223 -0.029 0.000 2.270 137 L HA 0.023 4.364 4.340 0.001 0.000 0.210 137 L C 2.412 179.199 176.870 -0.138 0.000 1.104 137 L CA 0.948 55.710 54.840 -0.130 0.000 0.804 137 L CB -0.971 40.952 42.059 -0.225 0.000 0.937 137 L HN -0.063 nan 8.230 nan 0.000 0.450 138 A N 0.419 123.232 122.820 -0.012 0.000 1.902 138 A HA -0.201 4.120 4.320 0.001 0.000 0.217 138 A C 2.142 179.480 177.584 -0.410 0.000 1.181 138 A CA 1.495 53.497 52.037 -0.060 0.000 0.623 138 A CB -0.336 18.693 19.000 0.048 0.000 0.818 138 A HN 0.430 nan 8.150 nan 0.000 0.443 139 E N -0.109 119.883 120.200 -0.346 0.000 2.106 139 E HA -0.176 4.175 4.350 0.001 0.000 0.192 139 E C 1.999 178.472 176.600 -0.212 0.000 0.984 139 E CA 1.178 57.369 56.400 -0.348 0.000 0.806 139 E CB -0.169 29.482 29.700 -0.082 0.000 0.750 139 E HN 0.582 nan 8.360 nan 0.000 0.458 140 K N 0.589 120.906 120.400 -0.138 0.000 2.057 140 K HA -0.116 4.205 4.320 0.001 0.000 0.207 140 K C 2.180 178.741 176.600 -0.064 0.000 1.049 140 K CA 1.029 57.269 56.287 -0.079 0.000 0.931 140 K CB -0.066 32.389 32.500 -0.076 0.000 0.714 140 K HN -0.025 nan 8.250 nan 0.000 0.440 141 V N 0.959 120.793 119.914 -0.134 0.000 2.407 141 V HA -0.210 3.910 4.120 0.001 0.000 0.248 141 V C 2.211 178.259 176.094 -0.078 0.000 1.055 141 V CA 1.382 63.622 62.300 -0.101 0.000 1.049 141 V CB -0.210 31.570 31.823 -0.071 0.000 0.662 141 V HN 0.089 nan 8.190 nan 0.000 0.455 142 V N 0.364 120.149 119.914 -0.215 0.000 2.261 142 V HA -0.242 3.878 4.120 0.001 0.000 0.246 142 V C 2.735 178.794 176.094 -0.059 0.000 1.047 142 V CA 2.014 64.175 62.300 -0.231 0.000 1.015 142 V CB -1.232 30.283 31.823 -0.513 0.000 0.642 142 V HN 0.550 nan 8.190 nan 0.000 0.446 143 A N -1.145 121.649 122.820 -0.042 0.000 1.940 143 A HA -0.301 4.020 4.320 0.001 0.000 0.219 143 A C 2.171 179.793 177.584 0.064 0.000 1.176 143 A CA 2.263 54.308 52.037 0.014 0.000 0.631 143 A CB -0.837 18.168 19.000 0.009 0.000 0.814 143 A HN 0.652 nan 8.150 nan 0.000 0.446 144 Y N 0.109 120.396 120.300 -0.022 0.000 2.200 144 Y HA -0.110 4.441 4.550 0.001 0.000 0.290 144 Y C 2.035 177.970 175.900 0.059 0.000 1.137 144 Y CA 1.825 59.935 58.100 0.017 0.000 1.163 144 Y CB -0.107 38.354 38.460 0.002 0.000 0.988 144 Y HN 0.228 nan 8.280 nan 0.000 0.518 145 L N -0.329 121.060 121.223 0.277 0.000 2.156 145 L HA -0.169 4.171 4.340 0.001 0.000 0.208 145 L C 2.196 179.225 176.870 0.265 0.000 1.095 145 L CA 1.318 56.331 54.840 0.288 0.000 0.770 145 L CB -0.464 41.691 42.059 0.161 0.000 0.914 145 L HN 0.238 nan 8.230 nan 0.000 0.439 146 E N 0.362 120.647 120.200 0.142 0.000 2.110 146 E HA -0.220 4.131 4.350 0.001 0.000 0.193 146 E C 2.249 178.868 176.600 0.031 0.000 0.988 146 E CA 1.180 57.634 56.400 0.090 0.000 0.804 146 E CB -0.143 29.590 29.700 0.054 0.000 0.745 146 E HN 0.499 nan 8.360 nan 0.000 0.458 147 A N 1.177 123.993 122.820 -0.007 0.000 2.066 147 A HA -0.124 4.196 4.320 0.001 0.000 0.218 147 A C 1.643 179.187 177.584 -0.066 0.000 1.157 147 A CA 0.844 52.841 52.037 -0.067 0.000 0.670 147 A CB -0.015 18.900 19.000 -0.141 0.000 0.804 147 A HN 0.037 nan 8.150 nan 0.000 0.453 148 E N -0.866 119.331 120.200 -0.004 0.000 2.476 148 E HA 0.173 4.523 4.350 0.001 0.000 0.191 148 E C 1.064 177.508 176.600 -0.260 0.000 1.064 148 E CA 0.609 57.005 56.400 -0.007 0.000 0.866 148 E CB -0.177 29.660 29.700 0.227 0.000 0.952 148 E HN 0.761 nan 8.360 nan 0.000 0.492 149 G N 1.118 109.795 108.800 -0.205 0.000 2.131 149 G HA2 -0.261 3.699 3.960 0.001 0.000 0.223 149 G HA3 -0.261 3.699 3.960 0.001 0.000 0.223 149 G C -0.047 174.635 174.900 -0.363 0.000 0.990 149 G CA -0.244 44.684 45.100 -0.287 0.000 0.671 149 G HN 0.194 nan 8.290 nan 0.000 0.521 150 F N 1.069 121.028 119.950 0.014 0.000 2.397 150 F HA 0.573 5.100 4.527 0.001 0.000 0.331 150 F C 0.979 176.790 175.800 0.018 0.000 1.090 150 F CA -0.346 57.663 58.000 0.015 0.000 1.065 150 F CB 1.698 40.708 39.000 0.016 0.000 1.184 150 F HN -0.044 nan 8.300 nan 0.000 0.499 151 T N 4.049 118.736 114.554 0.222 0.000 2.811 151 T HA 0.373 4.724 4.350 0.001 0.000 0.309 151 T C 0.245 175.028 174.700 0.138 0.000 1.005 151 T CA -0.403 61.781 62.100 0.140 0.000 0.955 151 T CB -0.086 68.841 68.868 0.098 0.000 0.970 151 T HN 0.321 nan 8.240 nan 0.000 0.496 152 I N 4.086 124.738 120.570 0.136 0.000 2.278 152 I HA 0.022 4.193 4.170 0.001 0.000 0.300 152 I C 1.665 177.886 176.117 0.174 0.000 1.174 152 I CA -0.115 61.270 61.300 0.142 0.000 1.347 152 I CB 0.147 38.222 38.000 0.125 0.000 1.473 152 I HN 0.727 nan 8.210 nan 0.000 0.595 153 S N 2.680 118.453 115.700 0.122 0.000 2.489 153 S HA 0.024 4.494 4.470 0.001 0.000 0.228 153 S C 0.480 175.126 174.600 0.077 0.000 0.995 153 S CA 0.146 58.400 58.200 0.089 0.000 0.934 153 S CB 0.220 63.449 63.200 0.048 0.000 0.771 153 S HN 0.657 nan 8.310 nan 0.000 0.522 154 D N -0.384 120.084 120.400 0.113 0.000 2.706 154 D HA 0.408 5.049 4.640 0.001 0.000 0.225 154 D C -1.847 174.563 176.300 0.183 0.000 1.241 154 D CA -0.515 53.515 54.000 0.049 0.000 0.784 154 D CB 1.725 42.501 40.800 -0.041 0.000 1.521 154 D HN 0.354 nan 8.370 nan 0.000 0.461 155 W N 1.774 123.060 121.300 -0.023 0.000 3.296 155 W HA 0.615 5.276 4.660 0.001 0.000 0.314 155 W C -1.130 175.375 176.519 -0.023 0.000 1.238 155 W CA -0.754 56.576 57.345 -0.026 0.000 1.193 155 W CB 0.645 30.100 29.460 -0.008 0.000 1.383 155 W HN 0.139 nan 8.180 nan 0.000 0.545 156 R N 1.734 122.348 120.500 0.191 0.000 2.589 156 R HA 0.734 5.075 4.340 0.001 0.000 0.293 156 R C -0.774 175.658 176.300 0.220 0.000 0.963 156 R CA -0.821 55.334 56.100 0.092 0.000 0.905 156 R CB 1.959 32.270 30.300 0.019 0.000 1.144 156 R HN 0.622 nan 8.270 nan 0.000 0.459 157 A N 3.704 126.632 122.820 0.180 0.000 2.410 157 A HA 0.341 4.662 4.320 0.001 0.000 0.289 157 A C 0.759 178.399 177.584 0.093 0.000 1.200 157 A CA -0.547 51.609 52.037 0.199 0.000 0.751 157 A CB 0.592 19.812 19.000 0.367 0.000 1.161 157 A HN 0.755 nan 8.150 nan 0.000 0.459 158 L N 0.954 122.200 121.223 0.039 0.000 2.291 158 L HA 0.008 4.348 4.340 0.001 0.000 0.214 158 L C 0.254 177.143 176.870 0.032 0.000 1.120 158 L CA 0.745 55.595 54.840 0.017 0.000 0.799 158 L CB -0.273 41.777 42.059 -0.016 0.000 0.925 158 L HN 0.903 nan 8.230 nan 0.000 0.446 159 E N -0.147 120.088 120.200 0.058 0.000 2.313 159 E HA -0.154 4.196 4.350 0.001 0.000 0.190 159 E C -0.964 175.668 176.600 0.052 0.000 1.406 159 E CA -0.177 56.266 56.400 0.071 0.000 0.668 159 E CB -1.419 28.321 29.700 0.065 0.000 1.135 159 E HN 0.107 nan 8.360 nan 0.000 0.375 160 V N 0.505 120.453 119.914 0.056 0.000 2.385 160 V HA 0.407 4.528 4.120 0.001 0.000 0.277 160 V C 1.005 177.135 176.094 0.060 0.000 1.012 160 V CA 0.238 62.563 62.300 0.043 0.000 0.832 160 V CB 1.301 33.138 31.823 0.023 0.000 1.028 160 V HN 0.549 nan 8.190 nan 0.000 0.436 161 A N 2.630 125.483 122.820 0.056 0.000 1.968 161 A HA -0.035 4.286 4.320 0.001 0.000 0.217 161 A C 1.047 178.665 177.584 0.057 0.000 1.169 161 A CA 0.917 52.991 52.037 0.061 0.000 0.638 161 A CB -0.166 18.863 19.000 0.048 0.000 0.812 161 A HN 0.760 nan 8.150 nan 0.000 0.446 162 D N -0.678 119.750 120.400 0.045 0.000 2.343 162 D HA 0.137 4.777 4.640 0.001 0.000 0.255 162 D C 0.837 177.166 176.300 0.048 0.000 1.187 162 D CA -0.078 53.949 54.000 0.045 0.000 0.875 162 D CB 0.499 41.315 40.800 0.027 0.000 1.136 162 D HN 0.132 nan 8.370 nan 0.000 0.469 163 N N 2.087 120.824 118.700 0.062 0.000 2.443 163 N HA -0.112 4.628 4.740 0.001 0.000 0.184 163 N C 1.084 176.619 175.510 0.043 0.000 1.037 163 N CA 1.102 54.186 53.050 0.056 0.000 0.896 163 N CB 0.312 38.834 38.487 0.059 0.000 0.959 163 N HN 0.371 nan 8.380 nan 0.000 0.442 164 T N -0.227 114.353 114.554 0.043 0.000 2.939 164 T HA 0.033 4.383 4.350 0.001 0.000 0.254 164 T C 1.364 176.072 174.700 0.013 0.000 1.041 164 T CA 0.564 62.680 62.100 0.027 0.000 1.142 164 T CB -0.060 68.824 68.868 0.026 0.000 0.874 164 T HN 0.297 nan 8.240 nan 0.000 0.452 165 E N 0.898 121.106 120.200 0.013 0.000 2.097 165 E HA -0.139 4.212 4.350 0.001 0.000 0.196 165 E C 2.291 178.894 176.600 0.004 0.000 1.000 165 E CA 1.159 57.563 56.400 0.007 0.000 0.804 165 E CB -0.397 29.309 29.700 0.010 0.000 0.740 165 E HN 0.228 nan 8.360 nan 0.000 0.454 166 V N 1.015 120.935 119.914 0.009 0.000 2.252 166 V HA -0.263 3.857 4.120 0.001 0.000 0.249 166 V C 2.437 178.524 176.094 -0.013 0.000 1.056 166 V CA 2.163 64.462 62.300 -0.002 0.000 1.022 166 V CB -1.164 30.665 31.823 0.009 0.000 0.641 166 V HN 0.455 nan 8.190 nan 0.000 0.445 167 G N -1.395 107.400 108.800 -0.008 0.000 2.442 167 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 167 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 167 G C 1.308 176.198 174.900 -0.015 0.000 1.141 167 G CA 1.264 46.356 45.100 -0.014 0.000 0.763 167 G HN 0.584 nan 8.290 nan 0.000 0.554 168 C N 1.226 120.519 119.300 -0.011 0.000 2.379 168 C HA 0.391 4.851 4.460 0.001 0.000 0.346 168 C C 0.917 175.899 174.990 -0.013 0.000 1.305 168 C CA -1.066 57.945 59.018 -0.011 0.000 1.657 168 C CB -1.880 25.855 27.740 -0.008 0.000 1.739 168 C HN 0.284 nan 8.230 nan 0.000 0.594 169 I N 3.481 124.041 120.570 -0.017 0.000 2.294 169 I HA 0.167 4.337 4.170 0.001 0.000 0.295 169 I C -1.879 174.226 176.117 -0.020 0.000 1.098 169 I CA -1.363 59.925 61.300 -0.019 0.000 1.277 169 I CB 0.569 38.554 38.000 -0.026 0.000 1.434 169 I HN 0.067 nan 8.210 nan 0.000 0.498 170 P HA -0.012 nan 4.420 nan 0.000 0.266 170 P C 1.014 178.306 177.300 -0.014 0.000 1.193 170 P CA -0.010 63.082 63.100 -0.014 0.000 0.770 170 P CB 0.621 32.314 31.700 -0.011 0.000 0.836 171 G N 1.111 109.903 108.800 -0.013 0.000 2.744 171 G HA2 -0.176 3.785 3.960 0.001 0.000 0.211 171 G HA3 -0.176 3.785 3.960 0.001 0.000 0.211 171 G C 1.258 176.154 174.900 -0.006 0.000 1.143 171 G CA 0.040 45.134 45.100 -0.010 0.000 0.788 171 G HN 0.545 nan 8.290 nan 0.000 0.534 172 E N 0.880 121.076 120.200 -0.007 0.000 2.031 172 E HA -0.149 4.202 4.350 0.001 0.000 0.193 172 E C 2.284 178.883 176.600 -0.001 0.000 0.994 172 E CA 1.198 57.595 56.400 -0.004 0.000 0.800 172 E CB -0.207 29.490 29.700 -0.006 0.000 0.752 172 E HN 0.565 nan 8.360 nan 0.000 0.447 173 Q N -0.033 119.764 119.800 -0.005 0.000 1.990 173 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 173 Q C 2.485 178.484 176.000 -0.002 0.000 0.980 173 Q CA 1.598 57.398 55.803 -0.005 0.000 0.832 173 Q CB -0.063 28.669 28.738 -0.010 0.000 0.897 173 Q HN 0.146 nan 8.270 nan 0.000 0.427 174 V N 0.968 120.879 119.914 -0.005 0.000 2.252 174 V HA -0.325 3.795 4.120 0.001 0.000 0.249 174 V C 2.317 178.424 176.094 0.021 0.000 1.056 174 V CA 2.072 64.371 62.300 -0.002 0.000 1.022 174 V CB -0.499 31.318 31.823 -0.009 0.000 0.641 174 V HN 0.400 nan 8.190 nan 0.000 0.445 175 M N 0.374 119.991 119.600 0.028 0.000 2.149 175 M HA -0.151 4.329 4.480 0.001 0.000 0.261 175 M C 2.015 178.357 176.300 0.070 0.000 1.064 175 M CA 2.128 57.462 55.300 0.056 0.000 1.102 175 M CB -0.682 31.936 32.600 0.030 0.000 1.369 175 M HN 0.314 nan 8.290 nan 0.000 0.408 176 A N -0.576 122.267 122.820 0.039 0.000 1.902 176 A HA -0.004 4.317 4.320 0.001 0.000 0.217 176 A C 2.328 179.931 177.584 0.032 0.000 1.181 176 A CA 1.988 54.045 52.037 0.033 0.000 0.623 176 A CB -1.320 17.689 19.000 0.014 0.000 0.818 176 A HN 0.610 nan 8.150 nan 0.000 0.443 177 A N -0.212 122.621 122.820 0.021 0.000 1.930 177 A HA 0.226 4.547 4.320 0.001 0.000 0.217 177 A C 2.496 180.080 177.584 -0.000 0.000 1.175 177 A CA 1.877 53.916 52.037 0.004 0.000 0.627 177 A CB -1.026 17.972 19.000 -0.004 0.000 0.815 177 A HN 1.033 nan 8.150 nan 0.000 0.443 178 A N 0.317 123.153 122.820 0.027 0.000 1.859 178 A HA -0.238 4.082 4.320 0.001 0.000 0.217 178 A C 2.150 179.718 177.584 -0.025 0.000 1.198 178 A CA 1.725 53.758 52.037 -0.007 0.000 0.629 178 A CB -0.600 18.500 19.000 0.167 0.000 0.830 178 A HN 0.444 nan 8.150 nan 0.000 0.446 179 R N 0.009 120.592 120.500 0.139 0.000 2.200 179 R HA -0.111 4.230 4.340 0.001 0.000 0.234 179 R C 2.465 178.788 176.300 0.038 0.000 1.127 179 R CA 1.306 57.494 56.100 0.147 0.000 0.989 179 R CB -1.003 29.388 30.300 0.152 0.000 0.869 179 R HN 0.676 nan 8.270 nan 0.000 0.459 180 S N 0.770 116.471 115.700 0.002 0.000 2.345 180 S HA -0.032 4.438 4.470 0.001 0.000 0.220 180 S C 1.094 175.664 174.600 -0.050 0.000 1.031 180 S CA 0.230 58.415 58.200 -0.024 0.000 0.996 180 S CB -0.130 63.052 63.200 -0.031 0.000 0.882 180 S HN 0.153 nan 8.310 nan 0.000 0.445 181 L N 2.647 123.825 121.223 -0.075 0.000 2.514 181 L HA 0.144 4.485 4.340 0.001 0.000 0.280 181 L C 0.341 177.152 176.870 -0.098 0.000 1.223 181 L CA -0.264 54.520 54.840 -0.094 0.000 0.864 181 L CB 0.038 42.030 42.059 -0.112 0.000 1.118 181 L HN 0.368 nan 8.230 nan 0.000 0.494 182 D N 3.018 123.370 120.400 -0.080 0.000 2.348 182 D HA 0.209 4.849 4.640 0.001 0.000 0.253 182 D C -0.007 176.243 176.300 -0.084 0.000 1.161 182 D CA -0.032 53.928 54.000 -0.068 0.000 0.876 182 D CB 1.306 42.077 40.800 -0.047 0.000 1.160 182 D HN 0.293 nan 8.370 nan 0.000 0.459 183 L N 2.630 123.796 121.223 -0.094 0.000 3.184 183 L HA 0.093 4.434 4.340 0.001 0.000 0.283 183 L C 1.701 178.538 176.870 -0.054 0.000 1.218 183 L CA -0.157 54.619 54.840 -0.107 0.000 1.028 183 L CB 0.321 42.252 42.059 -0.212 0.000 1.400 183 L HN 0.319 nan 8.230 nan 0.000 0.591 184 S N -1.504 114.177 115.700 -0.031 0.000 2.720 184 S HA 0.105 4.575 4.470 0.001 0.000 0.222 184 S C 0.981 175.578 174.600 -0.005 0.000 0.958 184 S CA 0.285 58.478 58.200 -0.010 0.000 0.943 184 S CB -0.181 63.017 63.200 -0.003 0.000 0.779 184 S HN 0.551 nan 8.310 nan 0.000 0.526 185 E N -0.105 120.090 120.200 -0.008 0.000 2.702 185 E HA 0.202 4.553 4.350 0.001 0.000 0.225 185 E C -0.802 175.800 176.600 0.004 0.000 0.942 185 E CA -0.058 56.343 56.400 0.002 0.000 1.210 185 E CB 1.337 31.041 29.700 0.005 0.000 1.143 185 E HN 0.289 nan 8.360 nan 0.000 0.544 186 V N 1.970 121.878 119.914 -0.010 0.000 2.686 186 V HA 0.078 4.199 4.120 0.001 0.000 0.295 186 V C 0.636 176.725 176.094 -0.008 0.000 1.057 186 V CA 0.002 62.294 62.300 -0.013 0.000 1.012 186 V CB 1.515 33.310 31.823 -0.046 0.000 1.006 186 V HN 0.080 nan 8.190 nan 0.000 0.477 187 D N 1.675 122.076 120.400 0.002 0.000 2.380 187 D HA 0.364 5.005 4.640 0.001 0.000 0.212 187 D C 0.437 176.734 176.300 -0.006 0.000 1.021 187 D CA 0.947 54.953 54.000 0.009 0.000 0.884 187 D CB 1.042 41.861 40.800 0.032 0.000 1.001 187 D HN 0.666 nan 8.370 nan 0.000 0.506 188 A N 0.447 123.250 122.820 -0.028 0.000 2.540 188 A HA 0.545 4.865 4.320 0.001 0.000 0.297 188 A C -1.563 175.977 177.584 -0.073 0.000 1.056 188 A CA -0.569 51.439 52.037 -0.049 0.000 0.700 188 A CB 1.128 20.088 19.000 -0.066 0.000 1.280 188 A HN 0.097 nan 8.150 nan 0.000 0.398 189 L N 2.654 123.835 121.223 -0.070 0.000 2.275 189 L HA 0.571 4.912 4.340 0.001 0.000 0.288 189 L C -0.775 176.051 176.870 -0.073 0.000 1.046 189 L CA -0.774 54.015 54.840 -0.085 0.000 0.805 189 L CB 1.557 43.559 42.059 -0.096 0.000 1.193 189 L HN 0.501 nan 8.230 nan 0.000 0.426 190 V N 6.996 126.860 119.914 -0.083 0.000 2.284 190 V HA 0.085 4.206 4.120 0.001 0.000 0.260 190 V C 1.284 177.343 176.094 -0.059 0.000 1.084 190 V CA -0.043 62.208 62.300 -0.081 0.000 0.894 190 V CB 0.780 32.542 31.823 -0.102 0.000 1.119 190 V HN 0.807 nan 8.190 nan 0.000 0.484 191 I N 2.501 123.047 120.570 -0.040 0.000 2.454 191 I HA -0.066 4.105 4.170 0.001 0.000 0.254 191 I C 1.085 177.179 176.117 -0.038 0.000 1.156 191 I CA 1.375 62.662 61.300 -0.022 0.000 1.433 191 I CB 0.488 38.497 38.000 0.014 0.000 1.082 191 I HN 0.670 nan 8.210 nan 0.000 0.432 192 S N -1.544 114.123 115.700 -0.055 0.000 2.668 192 S HA 0.142 4.612 4.470 0.001 0.000 0.277 192 S C 0.233 174.779 174.600 -0.089 0.000 1.170 192 S CA -0.844 57.307 58.200 -0.081 0.000 0.994 192 S CB 1.270 64.425 63.200 -0.076 0.000 1.051 192 S HN 0.230 nan 8.310 nan 0.000 0.484 193 C N 3.636 122.865 119.300 -0.117 0.000 2.500 193 C HA 0.355 4.816 4.460 0.001 0.000 0.273 193 C C 1.278 176.247 174.990 -0.035 0.000 1.428 193 C CA 0.047 59.017 59.018 -0.080 0.000 1.766 193 C CB -1.762 25.941 27.740 -0.061 0.000 1.817 193 C HN 0.848 nan 8.230 nan 0.000 0.543 194 C N 0.135 119.380 119.300 -0.091 0.000 2.376 194 C HA 0.543 5.003 4.460 0.001 0.000 0.335 194 C C 1.737 176.711 174.990 -0.027 0.000 1.229 194 C CA -0.260 58.744 59.018 -0.024 0.000 1.867 194 C CB 0.828 28.481 27.740 -0.145 0.000 2.319 194 C HN 0.482 nan 8.230 nan 0.000 0.515 195 V N 3.346 123.257 119.914 -0.003 0.000 3.306 195 V HA 0.031 4.151 4.120 0.001 0.000 0.264 195 V C 1.703 177.777 176.094 -0.033 0.000 1.149 195 V CA 1.921 64.204 62.300 -0.027 0.000 1.143 195 V CB -0.604 31.201 31.823 -0.030 0.000 0.767 195 V HN 0.960 nan 8.190 nan 0.000 0.476 196 Q N 0.873 120.663 119.800 -0.017 0.000 2.204 196 Q HA 0.195 4.536 4.340 0.001 0.000 0.198 196 Q C 1.328 177.308 176.000 -0.033 0.000 0.946 196 Q CA 1.042 56.833 55.803 -0.020 0.000 0.859 196 Q CB -0.190 28.550 28.738 0.003 0.000 0.946 196 Q HN 0.775 nan 8.270 nan 0.000 0.474 197 M N 2.606 122.177 119.600 -0.048 0.000 2.194 197 M HA 0.274 4.755 4.480 0.001 0.000 0.347 197 M C -2.146 174.122 176.300 -0.054 0.000 1.439 197 M CA -1.971 53.293 55.300 -0.060 0.000 1.131 197 M CB 0.755 33.298 32.600 -0.095 0.000 1.733 197 M HN -0.115 nan 8.290 nan 0.000 0.467 198 P HA -0.019 nan 4.420 nan 0.000 0.264 198 P C -0.625 176.652 177.300 -0.039 0.000 1.183 198 P CA 0.285 63.361 63.100 -0.041 0.000 0.763 198 P CB 0.750 32.429 31.700 -0.035 0.000 0.807 199 S N 1.877 117.556 115.700 -0.036 0.000 2.917 199 S HA 0.031 4.501 4.470 0.001 0.000 0.269 199 S C 1.590 176.177 174.600 -0.022 0.000 1.072 199 S CA -0.276 57.907 58.200 -0.029 0.000 0.967 199 S CB -0.952 62.229 63.200 -0.033 0.000 0.906 199 S HN 0.262 nan 8.310 nan 0.000 0.463 200 L N 2.683 123.890 121.223 -0.026 0.000 2.010 200 L HA -0.086 4.255 4.340 0.001 0.000 0.219 200 L C -0.901 175.958 176.870 -0.017 0.000 1.077 200 L CA 2.392 57.218 54.840 -0.023 0.000 0.773 200 L CB -1.113 40.927 42.059 -0.030 0.000 0.892 200 L HN 0.276 nan 8.230 nan 0.000 0.436 201 P HA -0.196 nan 4.420 nan 0.000 0.215 201 P C 1.891 179.182 177.300 -0.016 0.000 1.153 201 P CA 1.560 64.650 63.100 -0.017 0.000 0.853 201 P CB -0.111 31.578 31.700 -0.018 0.000 0.788 202 L N -1.290 119.926 121.223 -0.013 0.000 2.079 202 L HA -0.141 4.199 4.340 0.001 0.000 0.210 202 L C 2.570 179.439 176.870 -0.003 0.000 1.081 202 L CA 1.189 56.024 54.840 -0.008 0.000 0.752 202 L CB -1.456 40.604 42.059 0.002 0.000 0.896 202 L HN -0.162 nan 8.230 nan 0.000 0.433 203 V N 0.329 120.243 119.914 0.001 0.000 2.261 203 V HA -0.287 3.833 4.120 0.001 0.000 0.246 203 V C 2.602 178.701 176.094 0.009 0.000 1.047 203 V CA 2.175 64.481 62.300 0.011 0.000 1.015 203 V CB -0.498 31.328 31.823 0.004 0.000 0.642 203 V HN 0.507 nan 8.190 nan 0.000 0.446 204 E N 0.947 121.147 120.200 -0.001 0.000 2.153 204 E HA -0.217 4.134 4.350 0.001 0.000 0.194 204 E C 2.163 178.755 176.600 -0.013 0.000 0.988 204 E CA 1.890 58.289 56.400 -0.001 0.000 0.811 204 E CB -0.407 29.291 29.700 -0.003 0.000 0.746 204 E HN 0.763 nan 8.360 nan 0.000 0.466 205 T N -1.794 112.743 114.554 -0.028 0.000 2.746 205 T HA -0.080 4.271 4.350 0.001 0.000 0.267 205 T C 2.008 176.653 174.700 -0.091 0.000 1.039 205 T CA 1.525 63.590 62.100 -0.059 0.000 1.142 205 T CB -0.744 68.082 68.868 -0.070 0.000 0.866 205 T HN 0.238 nan 8.240 nan 0.000 0.444 206 A N 2.012 124.797 122.820 -0.058 0.000 1.869 206 A HA -0.245 4.075 4.320 0.001 0.000 0.218 206 A C 2.294 179.879 177.584 0.003 0.000 1.203 206 A CA 2.278 54.289 52.037 -0.044 0.000 0.638 206 A CB -1.163 17.928 19.000 0.153 0.000 0.831 206 A HN 0.724 nan 8.150 nan 0.000 0.450 207 E N -0.820 119.418 120.200 0.063 0.000 2.035 207 E HA -0.272 4.079 4.350 0.001 0.000 0.204 207 E C 2.275 178.886 176.600 0.019 0.000 1.025 207 E CA 1.730 58.172 56.400 0.070 0.000 0.835 207 E CB -0.279 29.446 29.700 0.041 0.000 0.764 207 E HN 0.576 nan 8.360 nan 0.000 0.457 208 R N 0.494 120.980 120.500 -0.025 0.000 2.170 208 R HA -0.172 4.169 4.340 0.001 0.000 0.242 208 R C 2.331 178.579 176.300 -0.087 0.000 1.145 208 R CA 1.147 57.222 56.100 -0.042 0.000 0.984 208 R CB -0.186 30.087 30.300 -0.046 0.000 0.869 208 R HN 0.325 nan 8.270 nan 0.000 0.455 209 E N 0.177 120.267 120.200 -0.182 0.000 2.033 209 E HA -0.084 4.266 4.350 0.001 0.000 0.189 209 E C 1.122 177.566 176.600 -0.261 0.000 0.979 209 E CA 0.839 57.039 56.400 -0.334 0.000 0.802 209 E CB 0.095 29.401 29.700 -0.656 0.000 0.763 209 E HN 0.310 nan 8.360 nan 0.000 0.449 210 F N -0.523 119.422 119.950 -0.007 0.000 2.765 210 F HA 0.241 4.768 4.527 0.001 0.000 0.302 210 F C 1.492 177.290 175.800 -0.005 0.000 1.111 210 F CA 0.142 58.138 58.000 -0.006 0.000 1.359 210 F CB 0.926 39.921 39.000 -0.008 0.000 1.097 210 F HN 0.237 nan 8.300 nan 0.000 0.577 211 G N 2.223 111.107 108.800 0.140 0.000 2.180 211 G HA2 -0.341 3.620 3.960 0.001 0.000 0.263 211 G HA3 -0.341 3.620 3.960 0.001 0.000 0.263 211 G C 0.190 175.141 174.900 0.085 0.000 0.989 211 G CA 0.756 45.908 45.100 0.088 0.000 0.692 211 G HN 0.530 nan 8.290 nan 0.000 0.526 212 I N -3.777 116.862 120.570 0.115 0.000 2.828 212 I HA 0.712 4.883 4.170 0.001 0.000 0.302 212 I C -2.782 173.375 176.117 0.067 0.000 1.101 212 I CA -3.459 57.886 61.300 0.075 0.000 1.031 212 I CB 2.168 40.200 38.000 0.052 0.000 1.231 212 I HN -0.199 nan 8.210 nan 0.000 0.427 213 P HA 0.105 nan 4.420 nan 0.000 0.260 213 P C -0.494 176.812 177.300 0.010 0.000 1.207 213 P CA 0.163 63.272 63.100 0.016 0.000 0.780 213 P CB 0.512 32.209 31.700 -0.004 0.000 0.789 214 V N 5.139 125.069 119.914 0.027 0.000 2.966 214 V HA 0.658 4.778 4.120 0.001 0.000 0.317 214 V C 0.671 176.758 176.094 -0.011 0.000 1.070 214 V CA -0.419 61.893 62.300 0.019 0.000 1.008 214 V CB 1.304 33.169 31.823 0.070 0.000 1.070 214 V HN 0.418 nan 8.190 nan 0.000 0.457 215 L N 0.370 121.575 121.223 -0.030 0.000 2.963 215 L HA 1.001 5.342 4.340 0.001 0.000 0.273 215 L C -0.642 176.200 176.870 -0.046 0.000 1.078 215 L CA -0.624 54.190 54.840 -0.043 0.000 0.970 215 L CB 1.898 43.912 42.059 -0.075 0.000 1.564 215 L HN 0.745 nan 8.230 nan 0.000 0.381 216 S N -1.506 114.165 115.700 -0.049 0.000 2.656 216 S HA 0.788 5.259 4.470 0.001 0.000 0.273 216 S C 0.440 175.009 174.600 -0.053 0.000 1.168 216 S CA -0.226 57.943 58.200 -0.053 0.000 0.817 216 S CB 1.253 64.427 63.200 -0.044 0.000 1.146 216 S HN 1.323 nan 8.310 nan 0.000 0.475 217 A N 1.028 123.816 122.820 -0.052 0.000 1.877 217 A HA 0.243 4.563 4.320 0.001 0.000 0.216 217 A C 2.351 179.915 177.584 -0.033 0.000 1.186 217 A CA 2.221 54.231 52.037 -0.044 0.000 0.620 217 A CB -1.746 17.231 19.000 -0.038 0.000 0.822 217 A HN 1.570 nan 8.150 nan 0.000 0.443 218 A N -0.231 122.566 122.820 -0.038 0.000 1.865 218 A HA -0.178 4.143 4.320 0.001 0.000 0.217 218 A C 2.528 180.097 177.584 -0.025 0.000 1.191 218 A CA 3.039 55.051 52.037 -0.041 0.000 0.623 218 A CB -1.601 17.366 19.000 -0.055 0.000 0.826 218 A HN 0.874 nan 8.150 nan 0.000 0.444 219 T N -2.202 112.341 114.554 -0.019 0.000 2.788 219 T HA 0.058 4.409 4.350 0.001 0.000 0.268 219 T C 1.911 176.632 174.700 0.035 0.000 1.044 219 T CA 1.843 63.946 62.100 0.005 0.000 1.139 219 T CB -0.607 68.261 68.868 0.001 0.000 0.867 219 T HN 0.639 nan 8.240 nan 0.000 0.454 220 A N 1.498 124.323 122.820 0.008 0.000 1.969 220 A HA 0.298 4.618 4.320 0.001 0.000 0.218 220 A C 2.694 180.327 177.584 0.082 0.000 1.169 220 A CA 1.515 53.564 52.037 0.020 0.000 0.635 220 A CB -1.483 17.493 19.000 -0.040 0.000 0.810 220 A HN 0.641 nan 8.150 nan 0.000 0.445 221 G N -0.666 108.161 108.800 0.044 0.000 2.421 221 G HA2 0.098 4.059 3.960 0.001 0.000 0.217 221 G HA3 0.098 4.059 3.960 0.001 0.000 0.217 221 G C 1.683 176.614 174.900 0.053 0.000 1.143 221 G CA 1.204 46.332 45.100 0.047 0.000 0.784 221 G HN 0.713 nan 8.290 nan 0.000 0.541 222 A N 0.366 123.212 122.820 0.042 0.000 1.858 222 A HA -0.071 4.250 4.320 0.001 0.000 0.216 222 A C 2.159 179.779 177.584 0.059 0.000 1.190 222 A CA 1.706 53.754 52.037 0.019 0.000 0.617 222 A CB -0.850 18.153 19.000 0.006 0.000 0.827 222 A HN 0.471 nan 8.150 nan 0.000 0.443 223 Y N 0.740 121.037 120.300 -0.005 0.000 2.081 223 Y HA -0.258 4.293 4.550 0.001 0.000 0.280 223 Y C 2.935 178.848 175.900 0.021 0.000 1.163 223 Y CA 2.290 60.399 58.100 0.016 0.000 1.135 223 Y CB -0.479 37.990 38.460 0.016 0.000 0.970 223 Y HN 0.319 nan 8.280 nan 0.000 0.498 224 S N -0.070 115.750 115.700 0.201 0.000 2.383 224 S HA -0.203 4.268 4.470 0.001 0.000 0.229 224 S C 1.969 176.571 174.600 0.004 0.000 1.030 224 S CA 1.713 59.977 58.200 0.107 0.000 1.002 224 S CB -0.674 62.607 63.200 0.134 0.000 0.829 224 S HN 0.533 nan 8.310 nan 0.000 0.467 225 I N 1.015 121.588 120.570 0.004 0.000 2.142 225 I HA -0.166 4.005 4.170 0.001 0.000 0.240 225 I C 2.180 178.278 176.117 -0.032 0.000 1.078 225 I CA 0.705 62.001 61.300 -0.007 0.000 1.343 225 I CB -0.355 37.634 38.000 -0.018 0.000 1.046 225 I HN 0.292 nan 8.210 nan 0.000 0.405 226 L N 0.520 121.699 121.223 -0.073 0.000 1.978 226 L HA -0.261 4.079 4.340 0.001 0.000 0.218 226 L C 2.645 179.457 176.870 -0.096 0.000 1.075 226 L CA 1.857 56.656 54.840 -0.067 0.000 0.767 226 L CB -1.394 40.618 42.059 -0.079 0.000 0.890 226 L HN 0.235 nan 8.230 nan 0.000 0.434 227 R N -0.306 120.070 120.500 -0.206 0.000 2.103 227 R HA -0.161 4.179 4.340 0.001 0.000 0.242 227 R C 2.348 178.611 176.300 -0.062 0.000 1.142 227 R CA 1.712 57.710 56.100 -0.170 0.000 0.960 227 R CB -0.955 29.201 30.300 -0.240 0.000 0.858 227 R HN 0.652 nan 8.270 nan 0.000 0.439 228 S N 0.480 116.160 115.700 -0.033 0.000 2.402 228 S HA -0.060 4.411 4.470 0.001 0.000 0.229 228 S C 1.969 176.573 174.600 0.006 0.000 1.021 228 S CA 0.794 58.995 58.200 0.002 0.000 0.974 228 S CB -0.313 62.898 63.200 0.020 0.000 0.800 228 S HN 0.259 nan 8.310 nan 0.000 0.484 229 L N 1.272 122.499 121.223 0.007 0.000 2.612 229 L HA 0.165 4.506 4.340 0.001 0.000 0.230 229 L C -0.209 176.660 176.870 -0.001 0.000 1.140 229 L CA 0.017 54.866 54.840 0.015 0.000 0.896 229 L CB -0.551 41.539 42.059 0.051 0.000 1.065 229 L HN 0.125 nan 8.230 nan 0.000 0.447 230 D N 1.213 121.609 120.400 -0.007 0.000 2.686 230 D HA -0.193 4.448 4.640 0.001 0.000 0.235 230 D C -0.269 176.031 176.300 -0.000 0.000 1.160 230 D CA 0.994 54.990 54.000 -0.007 0.000 0.645 230 D CB -0.932 39.867 40.800 -0.002 0.000 1.039 230 D HN 0.239 nan 8.370 nan 0.000 0.423 231 L N -0.289 120.935 121.223 0.003 0.000 2.334 231 L HA 0.481 4.821 4.340 0.001 0.000 0.272 231 L C -1.818 175.097 176.870 0.075 0.000 1.020 231 L CA -1.995 52.862 54.840 0.030 0.000 0.812 231 L CB 1.103 43.154 42.059 -0.014 0.000 1.264 231 L HN -0.253 nan 8.230 nan 0.000 0.439 232 P HA -0.034 nan 4.420 nan 0.000 0.268 232 P C -0.627 176.794 177.300 0.202 0.000 1.204 232 P CA -0.112 63.070 63.100 0.137 0.000 0.768 232 P CB 0.737 32.514 31.700 0.127 0.000 0.842 233 V N 3.279 123.249 119.914 0.093 0.000 2.356 233 V HA 0.532 4.652 4.120 0.001 0.000 0.258 233 V C 0.031 176.173 176.094 0.081 0.000 1.065 233 V CA 0.114 62.468 62.300 0.091 0.000 0.935 233 V CB -0.911 30.919 31.823 0.012 0.000 1.061 233 V HN 0.673 nan 8.190 nan 0.000 0.484 234 A N 6.194 129.042 122.820 0.046 0.000 3.399 234 A HA 0.595 4.916 4.320 0.001 0.000 0.262 234 A C -0.956 176.569 177.584 -0.100 0.000 1.145 234 A CA -0.267 51.740 52.037 -0.050 0.000 0.916 234 A CB 0.728 19.663 19.000 -0.108 0.000 1.360 234 A HN 0.737 nan 8.150 nan 0.000 0.628 235 V N 2.501 122.417 119.914 0.003 0.000 2.448 235 V HA 0.496 4.616 4.120 0.001 0.000 0.295 235 V C -2.330 173.777 176.094 0.022 0.000 1.025 235 V CA -1.628 60.688 62.300 0.026 0.000 0.859 235 V CB 2.006 33.884 31.823 0.093 0.000 0.988 235 V HN 0.550 nan 8.190 nan 0.000 0.431 236 P HA 0.351 nan 4.420 nan 0.000 0.276 236 P C 0.774 178.082 177.300 0.013 0.000 1.244 236 P CA 0.532 63.638 63.100 0.010 0.000 0.801 236 P CB 1.102 32.804 31.700 0.004 0.000 1.006 237 G N 0.535 109.340 108.800 0.009 0.000 2.143 237 G HA2 -0.050 3.911 3.960 0.001 0.000 0.248 237 G HA3 -0.050 3.911 3.960 0.001 0.000 0.248 237 G C 0.291 175.195 174.900 0.007 0.000 0.991 237 G CA 0.135 45.238 45.100 0.005 0.000 0.689 237 G HN 0.868 nan 8.290 nan 0.000 0.522 238 A N -0.700 122.128 122.820 0.013 0.000 3.399 238 A HA 0.813 5.133 4.320 0.001 0.000 0.262 238 A C 1.153 178.750 177.584 0.021 0.000 1.145 238 A CA 1.305 53.351 52.037 0.015 0.000 0.916 238 A CB 0.060 19.069 19.000 0.014 0.000 1.360 238 A HN 2.446 nan 8.150 nan 0.000 0.628 239 G N 0.499 109.311 108.800 0.019 0.000 2.733 239 G HA2 -0.093 3.867 3.960 0.001 0.000 0.686 239 G HA3 -0.093 3.867 3.960 0.001 0.000 0.686 239 G C 0.264 175.180 174.900 0.028 0.000 1.373 239 G CA -0.039 45.073 45.100 0.020 0.000 0.838 239 G HN 0.868 nan 8.290 nan 0.000 0.588 240 R N 0.539 121.055 120.500 0.025 0.000 2.096 240 R HA 0.050 4.391 4.340 0.001 0.000 0.235 240 R C 2.740 179.071 176.300 0.053 0.000 1.127 240 R CA 1.613 57.734 56.100 0.035 0.000 0.968 240 R CB -0.521 29.796 30.300 0.028 0.000 0.861 240 R HN 0.666 nan 8.270 nan 0.000 0.440 241 L N 0.601 121.840 121.223 0.026 0.000 2.021 241 L HA -0.163 4.178 4.340 0.001 0.000 0.215 241 L C 1.613 178.594 176.870 0.185 0.000 1.074 241 L CA 1.840 56.689 54.840 0.015 0.000 0.760 241 L CB -0.289 41.709 42.059 -0.101 0.000 0.889 241 L HN 0.229 nan 8.230 nan 0.000 0.433 242 L N -0.633 120.678 121.223 0.147 0.000 2.558 242 L HA 0.047 4.387 4.340 0.001 0.000 0.225 242 L C 1.153 178.095 176.870 0.119 0.000 1.128 242 L CA 0.248 55.191 54.840 0.172 0.000 0.868 242 L CB -0.206 41.924 42.059 0.119 0.000 1.006 242 L HN 0.378 nan 8.230 nan 0.000 0.454 243 R N -0.487 120.069 120.500 0.094 0.000 2.734 243 R HA 0.107 4.448 4.340 0.001 0.000 0.395 243 R C 0.768 177.107 176.300 0.065 0.000 1.096 243 R CA -0.147 55.990 56.100 0.062 0.000 1.071 243 R CB -0.177 30.144 30.300 0.034 0.000 1.348 243 R HN 0.259 nan 8.270 nan 0.000 0.600 244 Q N -0.126 119.733 119.800 0.098 0.000 2.403 244 Q HA 0.092 4.433 4.340 0.001 0.000 0.203 244 Q C -0.750 175.295 176.000 0.075 0.000 0.932 244 Q CA 0.214 56.072 55.803 0.092 0.000 0.945 244 Q CB 0.356 29.172 28.738 0.131 0.000 1.045 244 Q HN 0.131 nan 8.270 nan 0.000 0.511 245 D N 1.398 121.836 120.400 0.065 0.000 2.460 245 D HA 0.364 5.005 4.640 0.001 0.000 0.268 245 D C -1.137 175.180 176.300 0.029 0.000 1.153 245 D CA -0.027 54.001 54.000 0.047 0.000 0.929 245 D CB 1.277 42.106 40.800 0.048 0.000 1.015 245 D HN 0.076 nan 8.370 nan 0.000 0.502 246 S N 0.000 115.715 115.700 0.024 0.000 2.498 246 S HA 0.000 4.471 4.470 0.001 0.000 0.327 246 S CA 0.000 58.208 58.200 0.013 0.000 1.107 246 S CB 0.000 63.205 63.200 0.008 0.000 0.593 246 S HN 0.000 nan 8.310 nan 0.000 0.517