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 2ive_1_B DATA FIRST_RESID 10 DATA SEQUENCE MNVAVVGGGI SGLAVAHHLR SRGTDAVLLE SSARLGGAVG THALAGYLVE DATA SEQUENCE QGPNSFLDRE PATRALAAAL NLEGRIRAAD PAAKRRYVYT RGRLRSVPAS DATA SEQUENCE PPAFLASDIL PLGARLRVAG ELFSRRAPEG VDESLAAFGR RHLGHRATQV DATA SEQUENCE LLDAVQTGIY AGDVEQLSVA ATFPMLVKME REHRSLILGA IRAQKAQRQA DATA SEQUENCE XXXXXXXPKL SGALSTFDGG LQVLIDALAA SLGDAAHVGA RVEGLAREDG DATA SEQUENCE GWRLIIEEHG RRAELSVAQV VLAAPAHATA KLLRPLDDAL AALVAGIAYA DATA SEQUENCE PIAVVHLGFD AGTLPAPDGF GFLVPAEEQR RMLGAIHAST TFPFRAEGGR DATA SEQUENCE VLYSCMVGGA RQPGLVEQDE DALAALAREE LKALAGVTAR PSFTRVFRWP DATA SEQUENCE LGIPQYNLGH LERVAAIDAA LQRLPGLHLI GNAYKGVGLN DCIRNAAQLA DATA SEQUENCE DALVAGN 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 10 M HA 0.000 nan 4.480 nan 0.000 0.227 10 M C 0.000 176.311 176.300 0.019 0.000 1.140 10 M CA 0.000 55.312 55.300 0.019 0.000 0.988 10 M CB 0.000 32.610 32.600 0.016 0.000 1.302 11 N N 1.112 119.830 118.700 0.030 0.000 2.491 11 N HA 0.673 5.413 4.740 0.000 0.000 0.274 11 N C -1.681 173.852 175.510 0.039 0.000 1.023 11 N CA -0.238 52.829 53.050 0.029 0.000 0.902 11 N CB 2.000 40.505 38.487 0.029 0.000 1.267 11 N HN 0.344 nan 8.380 nan 0.000 0.503 12 V N 1.382 121.311 119.914 0.027 0.000 2.667 12 V HA 0.911 5.031 4.120 0.000 0.000 0.308 12 V C -0.017 176.086 176.094 0.016 0.000 1.048 12 V CA -0.956 61.359 62.300 0.025 0.000 0.928 12 V CB 1.476 33.306 31.823 0.011 0.000 1.004 12 V HN 0.779 nan 8.190 nan 0.000 0.444 13 A N 3.385 126.212 122.820 0.010 0.000 2.355 13 A HA 0.853 5.174 4.320 0.000 0.000 0.317 13 A C -1.050 176.525 177.584 -0.014 0.000 1.094 13 A CA -0.543 51.491 52.037 -0.005 0.000 0.764 13 A CB 1.706 20.701 19.000 -0.008 0.000 1.230 13 A HN 0.659 nan 8.150 nan 0.000 0.448 14 V N 3.016 122.925 119.914 -0.009 0.000 2.409 14 V HA 0.353 4.473 4.120 0.000 0.000 0.291 14 V C -0.332 175.757 176.094 -0.008 0.000 1.020 14 V CA -0.540 61.756 62.300 -0.006 0.000 0.848 14 V CB 1.500 33.328 31.823 0.009 0.000 0.990 14 V HN 0.628 nan 8.190 nan 0.000 0.430 15 V N 4.321 124.225 119.914 -0.017 0.000 2.348 15 V HA 0.864 4.984 4.120 0.000 0.000 0.270 15 V C 0.642 176.734 176.094 -0.003 0.000 1.037 15 V CA 0.366 62.656 62.300 -0.017 0.000 0.872 15 V CB 0.612 32.414 31.823 -0.035 0.000 1.002 15 V HN 1.266 nan 8.190 nan 0.000 0.464 16 G N 3.569 112.372 108.800 0.005 0.000 3.187 16 G HA2 0.221 4.181 3.960 0.000 0.000 0.682 16 G HA3 0.221 4.181 3.960 0.000 0.000 0.682 16 G C 0.110 175.022 174.900 0.019 0.000 1.266 16 G CA -0.456 44.652 45.100 0.014 0.000 0.902 16 G HN 1.139 nan 8.290 nan 0.000 0.589 17 G N 0.511 109.325 108.800 0.022 0.000 3.707 17 G HA2 0.649 4.609 3.960 0.000 0.000 0.286 17 G HA3 0.649 4.609 3.960 0.000 0.000 0.286 17 G C 0.936 175.844 174.900 0.012 0.000 1.112 17 G CA 0.989 46.101 45.100 0.021 0.000 0.861 17 G HN 1.315 nan 8.290 nan 0.000 0.534 18 G N 0.050 108.856 108.800 0.010 0.000 2.588 18 G HA2 0.314 4.274 3.960 0.000 0.000 0.278 18 G HA3 0.314 4.274 3.960 0.000 0.000 0.278 18 G C 1.062 175.952 174.900 -0.016 0.000 1.307 18 G CA -0.463 44.634 45.100 -0.004 0.000 1.016 18 G HN 0.083 nan 8.290 nan 0.000 0.503 19 I N -0.155 120.395 120.570 -0.033 0.000 2.248 19 I HA -0.212 3.958 4.170 0.000 0.000 0.248 19 I C 2.818 178.917 176.117 -0.030 0.000 1.107 19 I CA 2.078 63.351 61.300 -0.045 0.000 1.373 19 I CB -0.172 37.790 38.000 -0.064 0.000 1.055 19 I HN 0.366 nan 8.210 nan 0.000 0.418 20 S N 0.459 116.151 115.700 -0.013 0.000 2.348 20 S HA -0.123 4.347 4.470 0.000 0.000 0.221 20 S C 2.073 176.680 174.600 0.011 0.000 1.033 20 S CA 1.310 59.513 58.200 0.005 0.000 1.010 20 S CB -1.265 61.953 63.200 0.030 0.000 0.891 20 S HN 0.685 nan 8.310 nan 0.000 0.442 21 G N 1.669 110.478 108.800 0.016 0.000 2.418 21 G HA2 -0.140 3.820 3.960 0.000 0.000 0.217 21 G HA3 -0.140 3.820 3.960 0.000 0.000 0.217 21 G C 1.366 176.279 174.900 0.022 0.000 1.158 21 G CA 0.690 45.802 45.100 0.019 0.000 0.771 21 G HN 0.420 nan 8.290 nan 0.000 0.545 22 L N 0.644 121.875 121.223 0.013 0.000 2.046 22 L HA -0.036 4.304 4.340 0.000 0.000 0.208 22 L C 3.366 180.259 176.870 0.039 0.000 1.077 22 L CA 1.044 55.895 54.840 0.018 0.000 0.747 22 L CB -0.338 41.713 42.059 -0.014 0.000 0.896 22 L HN 0.303 nan 8.230 nan 0.000 0.432 23 A N -0.619 122.211 122.820 0.017 0.000 1.968 23 A HA -0.086 4.234 4.320 0.000 0.000 0.217 23 A C 2.312 179.947 177.584 0.084 0.000 1.169 23 A CA 1.322 53.378 52.037 0.032 0.000 0.638 23 A CB -0.573 18.416 19.000 -0.018 0.000 0.812 23 A HN 0.187 nan 8.150 nan 0.000 0.446 24 V N -0.197 119.749 119.914 0.054 0.000 2.283 24 V HA -0.193 3.927 4.120 0.000 0.000 0.243 24 V C 3.066 179.208 176.094 0.080 0.000 1.039 24 V CA 1.818 64.150 62.300 0.052 0.000 1.016 24 V CB -1.239 30.593 31.823 0.016 0.000 0.650 24 V HN 0.582 nan 8.190 nan 0.000 0.449 25 A N -0.350 122.512 122.820 0.070 0.000 1.883 25 A HA -0.330 3.990 4.320 0.000 0.000 0.217 25 A C 2.108 179.737 177.584 0.075 0.000 1.186 25 A CA 2.530 54.604 52.037 0.061 0.000 0.624 25 A CB -0.928 18.106 19.000 0.056 0.000 0.822 25 A HN 0.777 nan 8.150 nan 0.000 0.444 26 H N -1.828 117.257 119.070 0.025 0.000 2.321 26 H HA -0.210 4.346 4.556 0.000 0.000 0.300 26 H C 2.034 177.379 175.328 0.028 0.000 1.087 26 H CA 2.336 58.395 56.048 0.018 0.000 1.319 26 H CB -0.299 29.471 29.762 0.013 0.000 1.379 26 H HN 0.676 nan 8.280 nan 0.000 0.501 27 H N -0.565 118.553 119.070 0.081 0.000 2.423 27 H HA -0.028 4.528 4.556 0.000 0.000 0.297 27 H C 2.159 177.459 175.328 -0.046 0.000 1.075 27 H CA 1.464 57.527 56.048 0.026 0.000 1.342 27 H CB -0.021 29.772 29.762 0.053 0.000 1.395 27 H HN 0.331 nan 8.280 nan 0.000 0.530 28 L N -0.379 120.866 121.223 0.038 0.000 2.027 28 L HA -0.125 4.215 4.340 0.000 0.000 0.206 28 L C 2.528 179.344 176.870 -0.089 0.000 1.074 28 L CA 1.322 56.151 54.840 -0.019 0.000 0.745 28 L CB -0.251 41.810 42.059 0.003 0.000 0.898 28 L HN 0.231 nan 8.230 nan 0.000 0.433 29 R N -0.269 120.161 120.500 -0.116 0.000 2.115 29 R HA -0.109 4.231 4.340 0.000 0.000 0.230 29 R C 2.526 178.703 176.300 -0.205 0.000 1.111 29 R CA 1.452 57.467 56.100 -0.142 0.000 0.976 29 R CB -0.306 29.914 30.300 -0.133 0.000 0.870 29 R HN 0.454 nan 8.270 nan 0.000 0.445 30 S N 0.225 115.738 115.700 -0.311 0.000 2.453 30 S HA -0.005 4.465 4.470 0.000 0.000 0.231 30 S C 1.887 176.341 174.600 -0.243 0.000 1.005 30 S CA 0.404 58.415 58.200 -0.315 0.000 0.949 30 S CB 0.078 63.032 63.200 -0.411 0.000 0.774 30 S HN 0.166 nan 8.310 nan 0.000 0.510 31 R N 0.816 121.174 120.500 -0.236 0.000 2.173 31 R HA 0.202 4.542 4.340 0.000 0.000 0.208 31 R C 1.475 177.714 176.300 -0.101 0.000 1.035 31 R CA 0.878 56.879 56.100 -0.166 0.000 1.004 31 R CB -0.169 30.045 30.300 -0.145 0.000 0.917 31 R HN 0.652 nan 8.270 nan 0.000 0.462 32 G N 1.167 109.910 108.800 -0.094 0.000 2.151 32 G HA2 -0.207 3.753 3.960 0.000 0.000 0.140 32 G HA3 -0.207 3.753 3.960 0.000 0.000 0.140 32 G C 0.090 174.963 174.900 -0.045 0.000 1.020 32 G CA 0.205 45.266 45.100 -0.065 0.000 0.688 32 G HN 0.367 nan 8.290 nan 0.000 0.500 33 T N -1.389 113.139 114.554 -0.043 0.000 2.824 33 T HA 0.587 4.937 4.350 0.000 0.000 0.280 33 T C -0.566 174.121 174.700 -0.021 0.000 0.995 33 T CA -0.647 61.438 62.100 -0.025 0.000 1.009 33 T CB 2.345 71.203 68.868 -0.016 0.000 0.955 33 T HN -0.035 nan 8.240 nan 0.000 0.452 34 D N 2.392 122.786 120.400 -0.010 0.000 2.363 34 D HA 0.440 5.080 4.640 0.000 0.000 0.263 34 D C -0.028 176.274 176.300 0.003 0.000 1.258 34 D CA 0.383 54.381 54.000 -0.003 0.000 0.907 34 D CB 0.700 41.502 40.800 0.005 0.000 1.107 34 D HN 0.868 nan 8.370 nan 0.000 0.495 35 A N 2.514 125.337 122.820 0.004 0.000 2.355 35 A HA 0.605 4.925 4.320 0.000 0.000 0.324 35 A C -0.812 176.787 177.584 0.025 0.000 1.117 35 A CA -0.762 51.282 52.037 0.012 0.000 0.785 35 A CB 1.997 21.003 19.000 0.009 0.000 1.254 35 A HN 0.352 nan 8.150 nan 0.000 0.453 36 V N 3.728 123.655 119.914 0.022 0.000 2.483 36 V HA 0.643 4.763 4.120 0.000 0.000 0.297 36 V C -1.079 175.029 176.094 0.022 0.000 1.027 36 V CA -0.600 61.717 62.300 0.029 0.000 0.855 36 V CB 1.223 33.034 31.823 -0.021 0.000 0.995 36 V HN 0.920 nan 8.190 nan 0.000 0.424 37 L N 7.080 128.345 121.223 0.069 0.000 2.309 37 L HA 0.704 5.044 4.340 0.000 0.000 0.282 37 L C -1.263 175.647 176.870 0.067 0.000 1.036 37 L CA -0.530 54.344 54.840 0.058 0.000 0.806 37 L CB 1.483 43.581 42.059 0.066 0.000 1.220 37 L HN 0.681 nan 8.230 nan 0.000 0.429 38 L N 4.350 125.590 121.223 0.027 0.000 2.372 38 L HA 0.523 4.864 4.340 0.000 0.000 0.274 38 L C -0.979 175.907 176.870 0.026 0.000 0.988 38 L CA -0.503 54.351 54.840 0.023 0.000 0.833 38 L CB 1.802 43.846 42.059 -0.024 0.000 1.236 38 L HN 0.478 nan 8.230 nan 0.000 0.410 39 E N 0.971 121.195 120.200 0.040 0.000 2.176 39 E HA 0.322 4.672 4.350 0.000 0.000 0.267 39 E C 0.578 177.193 176.600 0.025 0.000 0.893 39 E CA -0.493 55.925 56.400 0.031 0.000 0.761 39 E CB 1.785 31.506 29.700 0.035 0.000 1.133 39 E HN 0.502 nan 8.360 nan 0.000 0.409 40 S N 2.189 117.901 115.700 0.020 0.000 2.423 40 S HA -0.004 4.466 4.470 0.000 0.000 0.231 40 S C 0.877 175.489 174.600 0.020 0.000 1.014 40 S CA 0.285 58.495 58.200 0.015 0.000 0.965 40 S CB -0.097 63.113 63.200 0.016 0.000 0.785 40 S HN 0.327 nan 8.310 nan 0.000 0.495 41 S N 1.084 116.804 115.700 0.034 0.000 2.608 41 S HA 0.616 5.086 4.470 0.000 0.000 0.261 41 S C 1.479 176.097 174.600 0.029 0.000 1.314 41 S CA -0.076 58.149 58.200 0.041 0.000 0.992 41 S CB 0.881 64.118 63.200 0.063 0.000 0.935 41 S HN 0.569 nan 8.310 nan 0.000 0.564 42 A N 1.368 124.208 122.820 0.032 0.000 2.067 42 A HA 0.101 4.421 4.320 0.000 0.000 0.217 42 A C 0.881 178.482 177.584 0.028 0.000 1.156 42 A CA 0.928 52.980 52.037 0.024 0.000 0.683 42 A CB 0.009 19.026 19.000 0.028 0.000 0.808 42 A HN 0.665 nan 8.150 nan 0.000 0.455 43 R N -1.236 119.287 120.500 0.039 0.000 2.795 43 R HA 0.639 4.979 4.340 0.000 0.000 0.275 43 R C -1.066 175.254 176.300 0.034 0.000 0.981 43 R CA -0.798 55.323 56.100 0.034 0.000 0.917 43 R CB 1.392 31.718 30.300 0.044 0.000 1.202 43 R HN 0.196 nan 8.270 nan 0.000 0.469 44 L N 0.059 121.292 121.223 0.017 0.000 2.479 44 L HA 0.452 4.792 4.340 0.000 0.000 0.249 44 L C 1.354 178.228 176.870 0.007 0.000 1.178 44 L CA 0.627 55.474 54.840 0.012 0.000 0.811 44 L CB 0.848 42.906 42.059 -0.003 0.000 1.187 44 L HN 1.009 nan 8.230 nan 0.000 0.480 45 G N -0.757 108.042 108.800 -0.002 0.000 2.780 45 G HA2 0.196 4.156 3.960 0.000 0.000 0.237 45 G HA3 0.196 4.156 3.960 0.000 0.000 0.237 45 G C 0.344 175.243 174.900 -0.001 0.000 1.965 45 G CA -0.182 44.910 45.100 -0.014 0.000 1.577 45 G HN 1.475 nan 8.290 nan 0.000 0.543 46 G N -0.658 108.160 108.800 0.029 0.000 2.214 46 G HA2 0.376 4.336 3.960 0.000 0.000 0.200 46 G HA3 0.376 4.336 3.960 0.000 0.000 0.200 46 G C 1.380 176.300 174.900 0.033 0.000 1.126 46 G CA 2.065 47.187 45.100 0.038 0.000 1.284 46 G HN 2.118 nan 8.290 nan 0.000 0.493 47 A N -0.111 122.645 122.820 -0.107 0.000 2.014 47 A HA 0.519 4.840 4.320 0.000 0.000 0.218 47 A C 1.372 178.861 177.584 -0.159 0.000 1.163 47 A CA 1.917 53.757 52.037 -0.330 0.000 0.652 47 A CB -0.414 18.290 19.000 -0.493 0.000 0.808 47 A HN 1.444 nan 8.150 nan 0.000 0.449 48 V N 0.513 120.376 119.914 -0.086 0.000 2.470 48 V HA 0.520 4.640 4.120 0.000 0.000 0.276 48 V C 0.529 176.600 176.094 -0.038 0.000 1.040 48 V CA 0.563 62.829 62.300 -0.056 0.000 1.008 48 V CB 0.362 32.150 31.823 -0.058 0.000 0.990 48 V HN 0.568 nan 8.190 nan 0.000 0.477 49 G N 2.816 111.584 108.800 -0.053 0.000 2.682 49 G HA2 0.504 4.464 3.960 0.000 0.000 0.300 49 G HA3 0.504 4.464 3.960 0.000 0.000 0.300 49 G C -0.824 173.951 174.900 -0.208 0.000 1.396 49 G CA -0.574 44.437 45.100 -0.149 0.000 1.104 49 G HN 0.549 nan 8.290 nan 0.000 0.587 50 T N 2.557 116.962 114.554 -0.249 0.000 2.770 50 T HA 0.505 4.855 4.350 0.000 0.000 0.283 50 T C -0.504 174.044 174.700 -0.252 0.000 0.988 50 T CA -0.542 61.466 62.100 -0.152 0.000 0.957 50 T CB 0.821 69.664 68.868 -0.041 0.000 0.930 50 T HN 0.509 nan 8.240 nan 0.000 0.443 51 H N 1.647 120.745 119.070 0.048 0.000 2.476 51 H HA 0.527 5.083 4.556 0.000 0.000 0.328 51 H C -0.213 175.165 175.328 0.083 0.000 1.073 51 H CA -0.684 55.420 56.048 0.093 0.000 1.229 51 H CB 1.471 31.348 29.762 0.191 0.000 1.432 51 H HN 0.749 nan 8.280 nan 0.000 0.477 52 A N 5.650 128.562 122.820 0.153 0.000 2.343 52 A HA 0.502 4.822 4.320 0.000 0.000 0.305 52 A C 0.044 177.679 177.584 0.085 0.000 1.308 52 A CA -0.448 51.645 52.037 0.093 0.000 0.949 52 A CB -0.592 18.441 19.000 0.054 0.000 1.148 52 A HN 0.673 nan 8.150 nan 0.000 0.545 53 L N -1.090 120.157 121.223 0.041 0.000 2.506 53 L HA 0.768 5.109 4.340 0.000 0.000 0.257 53 L C 0.349 177.106 176.870 -0.189 0.000 0.964 53 L CA -0.446 54.388 54.840 -0.009 0.000 0.836 53 L CB 1.575 43.694 42.059 0.100 0.000 1.384 53 L HN 1.689 nan 8.230 nan 0.000 0.410 54 A N 1.314 124.040 122.820 -0.157 0.000 2.826 54 A HA 0.099 4.419 4.320 0.000 0.000 0.274 54 A C 1.594 178.969 177.584 -0.349 0.000 1.443 54 A CA 1.677 53.584 52.037 -0.218 0.000 0.833 54 A CB -2.241 16.593 19.000 -0.277 0.000 1.023 54 A HN 2.887 nan 8.150 nan 0.000 0.600 55 G N -4.253 104.371 108.800 -0.293 0.000 2.199 55 G HA2 -0.281 3.679 3.960 0.000 0.000 0.254 55 G HA3 -0.281 3.679 3.960 0.000 0.000 0.254 55 G C 0.029 174.672 174.900 -0.429 0.000 0.982 55 G CA 0.758 45.642 45.100 -0.361 0.000 0.632 55 G HN 1.480 nan 8.290 nan 0.000 0.529 56 Y N -0.621 119.544 120.300 -0.226 0.000 2.453 56 Y HA 0.706 5.256 4.550 0.000 0.000 0.326 56 Y C 0.837 176.682 175.900 -0.091 0.000 1.186 56 Y CA -1.043 56.955 58.100 -0.170 0.000 1.200 56 Y CB 1.363 39.654 38.460 -0.281 0.000 1.247 56 Y HN 0.021 nan 8.280 nan 0.000 0.482 57 L N 3.935 125.254 121.223 0.160 0.000 2.297 57 L HA 0.395 4.735 4.340 0.000 0.000 0.277 57 L C -0.716 176.226 176.870 0.119 0.000 1.040 57 L CA -0.870 54.044 54.840 0.123 0.000 0.867 57 L CB 0.453 42.585 42.059 0.121 0.000 1.244 57 L HN 0.433 nan 8.230 nan 0.000 0.433 58 V N -0.602 119.367 119.914 0.092 0.000 2.567 58 V HA 0.490 4.610 4.120 0.000 0.000 0.289 58 V C 0.064 176.186 176.094 0.047 0.000 1.049 58 V CA -0.667 61.615 62.300 -0.030 0.000 0.969 58 V CB 1.627 33.260 31.823 -0.317 0.000 0.995 58 V HN 0.488 nan 8.190 nan 0.000 0.471 59 E N 3.746 124.012 120.200 0.110 0.000 2.197 59 E HA 0.207 4.557 4.350 0.000 0.000 0.281 59 E C 0.667 177.369 176.600 0.170 0.000 0.995 59 E CA -0.241 56.242 56.400 0.140 0.000 0.808 59 E CB 2.032 31.834 29.700 0.171 0.000 1.093 59 E HN 0.924 nan 8.360 nan 0.000 0.394 60 Q N 1.745 121.497 119.800 -0.081 0.000 2.230 60 Q HA 0.026 4.366 4.340 0.000 0.000 0.202 60 Q C 0.825 176.978 176.000 0.255 0.000 0.963 60 Q CA 1.252 56.822 55.803 -0.389 0.000 0.866 60 Q CB 0.321 28.699 28.738 -0.600 0.000 0.931 60 Q HN 0.533 nan 8.270 nan 0.000 0.452 61 G N 1.155 110.051 108.800 0.159 0.000 3.009 61 G HA2 0.257 4.217 3.960 0.000 0.000 0.183 61 G HA3 0.257 4.217 3.960 0.000 0.000 0.183 61 G C -2.376 172.532 174.900 0.013 0.000 1.613 61 G CA -0.301 44.820 45.100 0.034 0.000 0.910 61 G HN 0.194 nan 8.290 nan 0.000 0.785 62 P HA 0.190 nan 4.420 nan 0.000 0.266 62 P C -0.346 177.003 177.300 0.081 0.000 1.195 62 P CA 0.195 63.298 63.100 0.006 0.000 0.768 62 P CB 1.472 33.160 31.700 -0.021 0.000 0.838 63 N N -0.168 118.609 118.700 0.129 0.000 2.516 63 N HA 0.032 4.773 4.740 0.000 0.000 0.197 63 N C 0.470 176.102 175.510 0.203 0.000 1.064 63 N CA 0.486 53.654 53.050 0.197 0.000 0.866 63 N CB 0.522 39.176 38.487 0.277 0.000 1.255 63 N HN 0.586 nan 8.380 nan 0.000 0.447 64 S N -0.340 115.481 115.700 0.202 0.000 2.688 64 S HA 0.701 5.171 4.470 0.000 0.000 0.275 64 S C -1.317 173.409 174.600 0.210 0.000 1.175 64 S CA -0.937 57.369 58.200 0.176 0.000 0.818 64 S CB 1.698 65.013 63.200 0.192 0.000 1.157 64 S HN 0.149 nan 8.310 nan 0.000 0.482 65 F N -0.915 119.020 119.950 -0.025 0.000 2.619 65 F HA 0.760 5.287 4.527 0.000 0.000 0.308 65 F C -1.686 174.074 175.800 -0.067 0.000 1.097 65 F CA -1.437 56.533 58.000 -0.051 0.000 0.953 65 F CB 0.839 39.809 39.000 -0.050 0.000 1.287 65 F HN 0.587 nan 8.300 nan 0.000 0.446 66 L N 2.616 123.821 121.223 -0.029 0.000 2.331 66 L HA 0.226 4.566 4.340 0.000 0.000 0.278 66 L C 0.343 177.202 176.870 -0.018 0.000 1.106 66 L CA -0.330 54.441 54.840 -0.115 0.000 0.824 66 L CB 0.538 42.562 42.059 -0.058 0.000 1.142 66 L HN 0.690 nan 8.230 nan 0.000 0.443 67 D N 2.915 123.241 120.400 -0.122 0.000 2.934 67 D HA 0.021 4.661 4.640 0.000 0.000 0.237 67 D C 1.025 177.341 176.300 0.026 0.000 1.158 67 D CA 0.044 54.040 54.000 -0.008 0.000 0.971 67 D CB 0.262 41.006 40.800 -0.093 0.000 1.123 67 D HN 0.517 nan 8.370 nan 0.000 0.467 68 R N -0.461 120.070 120.500 0.051 0.000 2.476 68 R HA 0.253 4.593 4.340 0.000 0.000 0.276 68 R C 0.237 176.561 176.300 0.040 0.000 0.941 68 R CA -0.496 55.622 56.100 0.030 0.000 1.088 68 R CB 0.413 30.720 30.300 0.012 0.000 1.216 68 R HN -0.142 nan 8.270 nan 0.000 0.533 69 E N 2.027 122.265 120.200 0.064 0.000 2.092 69 E HA 0.302 4.652 4.350 0.000 0.000 0.271 69 E C -2.025 174.596 176.600 0.036 0.000 0.919 69 E CA -3.096 53.329 56.400 0.042 0.000 0.760 69 E CB 1.666 31.387 29.700 0.035 0.000 1.106 69 E HN -0.128 nan 8.360 nan 0.000 0.408 70 P HA -0.137 nan 4.420 nan 0.000 0.218 70 P C 0.718 178.027 177.300 0.015 0.000 1.148 70 P CA 1.472 64.585 63.100 0.022 0.000 0.822 70 P CB 0.257 31.967 31.700 0.017 0.000 0.784 71 A N -0.285 122.535 122.820 0.000 0.000 1.972 71 A HA -0.178 4.142 4.320 0.000 0.000 0.219 71 A C 2.274 179.844 177.584 -0.025 0.000 1.169 71 A CA 2.387 54.415 52.037 -0.014 0.000 0.635 71 A CB -1.888 17.089 19.000 -0.037 0.000 0.810 71 A HN 0.361 nan 8.150 nan 0.000 0.446 72 T N -3.352 111.178 114.554 -0.040 0.000 2.985 72 T HA -0.035 4.315 4.350 0.000 0.000 0.266 72 T C 1.970 176.648 174.700 -0.036 0.000 1.076 72 T CA 0.811 62.858 62.100 -0.089 0.000 1.135 72 T CB -0.247 68.496 68.868 -0.207 0.000 0.890 72 T HN 0.313 nan 8.240 nan 0.000 0.480 73 R N 1.242 121.750 120.500 0.014 0.000 2.075 73 R HA 0.212 4.552 4.340 0.000 0.000 0.232 73 R C 2.896 179.218 176.300 0.037 0.000 1.126 73 R CA 1.417 57.543 56.100 0.043 0.000 0.963 73 R CB -1.221 29.109 30.300 0.050 0.000 0.858 73 R HN 0.585 nan 8.270 nan 0.000 0.435 74 A N 1.079 123.918 122.820 0.032 0.000 1.877 74 A HA -0.169 4.152 4.320 0.000 0.000 0.216 74 A C 2.198 179.807 177.584 0.042 0.000 1.186 74 A CA 1.217 53.281 52.037 0.044 0.000 0.620 74 A CB -0.570 18.465 19.000 0.060 0.000 0.822 74 A HN 0.241 nan 8.150 nan 0.000 0.443 75 L N -0.531 120.700 121.223 0.015 0.000 2.141 75 L HA -0.015 4.325 4.340 0.000 0.000 0.209 75 L C 2.656 179.490 176.870 -0.060 0.000 1.094 75 L CA 1.887 56.702 54.840 -0.041 0.000 0.763 75 L CB -0.481 41.522 42.059 -0.094 0.000 0.908 75 L HN 0.342 nan 8.230 nan 0.000 0.437 76 A N -0.653 122.166 122.820 -0.002 0.000 1.930 76 A HA -0.056 4.264 4.320 0.000 0.000 0.217 76 A C 2.428 180.035 177.584 0.037 0.000 1.175 76 A CA 1.511 53.578 52.037 0.050 0.000 0.627 76 A CB -0.978 18.117 19.000 0.159 0.000 0.815 76 A HN 0.527 nan 8.150 nan 0.000 0.443 77 A N -0.055 122.787 122.820 0.037 0.000 1.873 77 A HA 0.209 4.529 4.320 0.000 0.000 0.215 77 A C 2.474 180.076 177.584 0.030 0.000 1.186 77 A CA 1.868 53.926 52.037 0.035 0.000 0.616 77 A CB -1.012 18.009 19.000 0.037 0.000 0.823 77 A HN 1.068 nan 8.150 nan 0.000 0.442 78 A N -0.613 122.230 122.820 0.039 0.000 2.019 78 A HA 0.059 4.379 4.320 0.000 0.000 0.219 78 A C 1.760 179.375 177.584 0.052 0.000 1.164 78 A CA 1.408 53.486 52.037 0.069 0.000 0.644 78 A CB -0.457 18.640 19.000 0.161 0.000 0.805 78 A HN 0.483 nan 8.150 nan 0.000 0.449 79 L N -1.174 120.047 121.223 -0.004 0.000 2.728 79 L HA 0.180 4.520 4.340 0.000 0.000 0.238 79 L C 0.351 177.207 176.870 -0.023 0.000 1.143 79 L CA -0.373 54.450 54.840 -0.029 0.000 0.937 79 L CB -0.340 41.654 42.059 -0.107 0.000 1.225 79 L HN 0.280 nan 8.230 nan 0.000 0.507 80 N N 1.798 120.498 118.700 0.000 0.000 2.684 80 N HA -0.219 4.521 4.740 0.000 0.000 0.284 80 N C 0.190 175.708 175.510 0.012 0.000 1.067 80 N CA 0.637 53.693 53.050 0.010 0.000 0.791 80 N CB -0.533 37.959 38.487 0.008 0.000 0.934 80 N HN 0.398 nan 8.380 nan 0.000 0.566 81 L N 0.384 121.630 121.223 0.038 0.000 2.858 81 L HA 0.168 4.508 4.340 0.000 0.000 0.251 81 L C 1.762 178.743 176.870 0.185 0.000 1.149 81 L CA -0.290 54.603 54.840 0.088 0.000 0.955 81 L CB 0.076 42.148 42.059 0.023 0.000 1.289 81 L HN 0.261 nan 8.230 nan 0.000 0.542 82 E N 1.188 121.461 120.200 0.122 0.000 2.130 82 E HA -0.199 4.151 4.350 0.000 0.000 0.196 82 E C 2.111 178.748 176.600 0.063 0.000 0.998 82 E CA 1.423 57.882 56.400 0.097 0.000 0.806 82 E CB -0.070 29.666 29.700 0.060 0.000 0.738 82 E HN 0.567 nan 8.360 nan 0.000 0.459 83 G N 0.509 109.337 108.800 0.047 0.000 2.534 83 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 83 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 83 G C 1.420 176.328 174.900 0.013 0.000 1.128 83 G CA 0.039 45.151 45.100 0.019 0.000 0.784 83 G HN 0.107 nan 8.290 nan 0.000 0.542 84 R N -0.516 120.021 120.500 0.061 0.000 2.317 84 R HA 0.273 4.613 4.340 0.000 0.000 0.208 84 R C 0.128 176.474 176.300 0.077 0.000 0.914 84 R CA -0.311 55.831 56.100 0.070 0.000 1.060 84 R CB 0.271 30.643 30.300 0.120 0.000 1.015 84 R HN 0.300 nan 8.270 nan 0.000 0.498 85 I N 2.574 123.158 120.570 0.023 0.000 2.494 85 I HA 0.006 4.176 4.170 0.000 0.000 0.289 85 I C 0.207 176.222 176.117 -0.169 0.000 1.106 85 I CA -0.026 61.173 61.300 -0.167 0.000 1.369 85 I CB 0.239 38.150 38.000 -0.149 0.000 1.410 85 I HN -0.234 nan 8.210 nan 0.000 0.523 86 R N 5.298 125.669 120.500 -0.215 0.000 2.202 86 R HA 0.329 4.669 4.340 0.000 0.000 0.334 86 R C 0.820 177.140 176.300 0.034 0.000 1.036 86 R CA -0.543 55.453 56.100 -0.172 0.000 0.878 86 R CB 1.159 31.172 30.300 -0.478 0.000 1.067 86 R HN 0.714 nan 8.270 nan 0.000 0.457 87 A N 2.978 125.836 122.820 0.063 0.000 2.225 87 A HA 0.093 4.413 4.320 0.000 0.000 0.215 87 A C 0.708 178.366 177.584 0.123 0.000 1.164 87 A CA 0.994 53.054 52.037 0.039 0.000 0.710 87 A CB -0.514 18.502 19.000 0.026 0.000 0.780 87 A HN 0.955 nan 8.150 nan 0.000 0.473 88 A N -0.731 122.317 122.820 0.381 0.000 2.060 88 A HA -0.181 4.139 4.320 0.000 0.000 0.267 88 A C 0.199 177.823 177.584 0.066 0.000 1.378 88 A CA 1.261 53.584 52.037 0.477 0.000 0.733 88 A CB -1.990 17.386 19.000 0.626 0.000 1.188 88 A HN 0.675 nan 8.150 nan 0.000 0.311 89 D N 0.930 121.384 120.400 0.090 0.000 2.929 89 D HA 0.503 5.143 4.640 0.000 0.000 0.246 89 D C -1.251 175.032 176.300 -0.027 0.000 1.237 89 D CA 0.314 54.330 54.000 0.027 0.000 1.171 89 D CB -0.021 40.824 40.800 0.075 0.000 0.933 89 D HN 0.431 nan 8.370 nan 0.000 0.216 90 P HA -0.212 nan 4.420 nan 0.000 0.298 90 P C -0.949 176.348 177.300 -0.005 0.000 1.955 90 P CA 0.826 63.930 63.100 0.008 0.000 1.745 90 P CB 0.168 31.871 31.700 0.004 0.000 0.297 91 A N -0.998 121.823 122.820 0.002 0.000 2.476 91 A HA 0.443 4.763 4.320 0.000 0.000 0.263 91 A C 1.149 178.737 177.584 0.007 0.000 1.342 91 A CA 0.542 52.579 52.037 -0.001 0.000 0.926 91 A CB -1.164 17.838 19.000 0.003 0.000 1.019 91 A HN 0.519 nan 8.150 nan 0.000 0.515 92 A N 0.452 123.279 122.820 0.011 0.000 3.029 92 A HA 0.257 4.577 4.320 0.000 0.000 0.251 92 A C 0.926 178.540 177.584 0.050 0.000 1.749 92 A CA -0.082 51.981 52.037 0.043 0.000 1.386 92 A CB -0.680 18.351 19.000 0.052 0.000 1.043 92 A HN 0.466 nan 8.150 nan 0.000 0.638 93 K N 0.314 120.726 120.400 0.020 0.000 2.437 93 K HA 0.077 4.397 4.320 0.000 0.000 0.198 93 K C 0.446 177.048 176.600 0.003 0.000 1.024 93 K CA -0.004 56.282 56.287 -0.002 0.000 1.148 93 K CB 0.274 32.755 32.500 -0.032 0.000 0.860 93 K HN 0.515 nan 8.250 nan 0.000 0.515 94 R N 1.306 121.816 120.500 0.017 0.000 2.582 94 R HA 0.235 4.575 4.340 0.000 0.000 0.271 94 R C -0.049 176.221 176.300 -0.050 0.000 1.078 94 R CA 0.104 56.161 56.100 -0.071 0.000 1.127 94 R CB 0.706 30.919 30.300 -0.145 0.000 1.038 94 R HN 0.041 nan 8.270 nan 0.000 0.500 95 R N 1.638 122.039 120.500 -0.166 0.000 2.686 95 R HA 0.362 4.702 4.340 0.000 0.000 0.286 95 R C -1.273 174.908 176.300 -0.199 0.000 0.969 95 R CA -0.738 55.339 56.100 -0.038 0.000 0.898 95 R CB 1.606 31.936 30.300 0.050 0.000 1.183 95 R HN 0.485 nan 8.270 nan 0.000 0.456 96 Y N 0.228 120.621 120.300 0.155 0.000 2.446 96 Y HA 0.518 5.068 4.550 0.000 0.000 0.345 96 Y C -0.268 175.752 175.900 0.200 0.000 0.984 96 Y CA -0.922 57.281 58.100 0.172 0.000 1.058 96 Y CB 2.350 40.936 38.460 0.210 0.000 1.220 96 Y HN 0.159 nan 8.280 nan 0.000 0.455 97 V N 2.815 122.921 119.914 0.320 0.000 2.588 97 V HA 0.181 4.301 4.120 0.000 0.000 0.304 97 V C -1.287 174.952 176.094 0.241 0.000 1.042 97 V CA -1.207 61.254 62.300 0.269 0.000 0.877 97 V CB 1.722 33.648 31.823 0.172 0.000 0.996 97 V HN 0.647 nan 8.190 nan 0.000 0.425 98 Y N 3.787 124.177 120.300 0.150 0.000 2.539 98 Y HA 0.528 5.078 4.550 0.000 0.000 0.352 98 Y C 0.357 176.296 175.900 0.065 0.000 1.004 98 Y CA 0.694 58.833 58.100 0.064 0.000 1.278 98 Y CB 0.761 39.241 38.460 0.033 0.000 1.136 98 Y HN 0.704 nan 8.280 nan 0.000 0.528 99 T N 6.498 120.852 114.554 -0.333 0.000 2.993 99 T HA 0.373 4.723 4.350 0.000 0.000 0.312 99 T C -0.855 173.655 174.700 -0.316 0.000 1.115 99 T CA -0.775 61.193 62.100 -0.220 0.000 1.027 99 T CB 0.660 69.500 68.868 -0.046 0.000 1.116 99 T HN 0.769 nan 8.240 nan 0.000 0.464 100 R N 2.714 123.081 120.500 -0.221 0.000 3.205 100 R HA -0.206 4.134 4.340 0.000 0.000 0.249 100 R C 1.063 177.219 176.300 -0.240 0.000 0.937 100 R CA 0.921 56.920 56.100 -0.168 0.000 0.641 100 R CB -1.941 28.297 30.300 -0.104 0.000 1.114 100 R HN 1.511 nan 8.270 nan 0.000 0.451 101 G N -0.485 108.114 108.800 -0.334 0.000 2.168 101 G HA2 -0.385 3.575 3.960 0.000 0.000 0.263 101 G HA3 -0.385 3.575 3.960 0.000 0.000 0.263 101 G C 0.123 174.841 174.900 -0.303 0.000 0.977 101 G CA 0.723 45.689 45.100 -0.223 0.000 0.659 101 G HN 0.604 nan 8.290 nan 0.000 0.533 102 R N -0.927 119.201 120.500 -0.620 0.000 2.663 102 R HA 0.533 4.873 4.340 0.000 0.000 0.267 102 R C -0.634 175.451 176.300 -0.357 0.000 1.038 102 R CA -1.037 54.867 56.100 -0.326 0.000 0.886 102 R CB 0.723 30.926 30.300 -0.161 0.000 1.249 102 R HN 0.129 nan 8.270 nan 0.000 0.463 103 L N 3.872 125.042 121.223 -0.088 0.000 2.410 103 L HA 0.375 4.715 4.340 0.000 0.000 0.273 103 L C 0.165 177.094 176.870 0.100 0.000 1.144 103 L CA 0.235 55.081 54.840 0.010 0.000 0.863 103 L CB 0.596 42.595 42.059 -0.100 0.000 1.140 103 L HN 0.441 nan 8.230 nan 0.000 0.463 104 R N 1.908 122.521 120.500 0.189 0.000 2.621 104 R HA 0.310 4.650 4.340 0.000 0.000 0.292 104 R C -0.688 175.727 176.300 0.192 0.000 0.969 104 R CA -0.647 55.558 56.100 0.176 0.000 0.887 104 R CB 2.149 32.476 30.300 0.045 0.000 1.180 104 R HN 0.529 nan 8.270 nan 0.000 0.450 105 S N 1.788 117.518 115.700 0.051 0.000 2.488 105 S HA 0.064 4.534 4.470 0.000 0.000 0.278 105 S C 0.080 174.611 174.600 -0.116 0.000 1.259 105 S CA -0.603 57.431 58.200 -0.277 0.000 1.061 105 S CB 0.732 63.751 63.200 -0.301 0.000 0.910 105 S HN 0.409 nan 8.310 nan 0.000 0.491 106 V N 8.393 128.241 119.914 -0.109 0.000 2.427 106 V HA 0.449 4.570 4.120 0.000 0.000 0.268 106 V C -2.283 173.807 176.094 -0.008 0.000 1.046 106 V CA -1.868 60.429 62.300 -0.005 0.000 0.970 106 V CB 0.407 32.248 31.823 0.030 0.000 1.001 106 V HN 0.804 nan 8.190 nan 0.000 0.476 107 P HA 0.308 nan 4.420 nan 0.000 0.272 107 P C -0.052 177.274 177.300 0.043 0.000 1.223 107 P CA -0.070 63.066 63.100 0.060 0.000 0.784 107 P CB 1.114 32.899 31.700 0.142 0.000 0.923 108 A N 0.752 123.582 122.820 0.017 0.000 2.430 108 A HA 0.382 4.702 4.320 0.000 0.000 0.243 108 A C 0.382 177.964 177.584 -0.003 0.000 1.254 108 A CA 0.340 52.375 52.037 -0.004 0.000 0.914 108 A CB -0.346 18.643 19.000 -0.018 0.000 0.998 108 A HN 0.541 nan 8.150 nan 0.000 0.515 109 S N -2.173 113.540 115.700 0.022 0.000 2.541 109 S HA 0.570 5.040 4.470 0.000 0.000 0.271 109 S C -2.673 171.961 174.600 0.057 0.000 1.133 109 S CA -1.005 57.206 58.200 0.019 0.000 0.876 109 S CB 1.728 64.937 63.200 0.015 0.000 1.105 109 S HN -0.120 nan 8.310 nan 0.000 0.470 110 P HA -0.068 nan 4.420 nan 0.000 0.216 110 P C -1.402 175.975 177.300 0.127 0.000 1.154 110 P CA 1.712 64.853 63.100 0.068 0.000 0.865 110 P CB -1.008 30.702 31.700 0.017 0.000 0.789 111 P HA -0.085 nan 4.420 nan 0.000 0.217 111 P C 1.364 178.703 177.300 0.065 0.000 1.151 111 P CA 1.704 64.843 63.100 0.064 0.000 0.828 111 P CB -0.436 31.285 31.700 0.034 0.000 0.788 112 A N -0.337 122.525 122.820 0.070 0.000 1.930 112 A HA -0.162 4.158 4.320 0.000 0.000 0.217 112 A C 2.133 179.762 177.584 0.074 0.000 1.175 112 A CA 1.181 53.251 52.037 0.055 0.000 0.627 112 A CB -1.817 17.211 19.000 0.047 0.000 0.815 112 A HN 0.156 nan 8.150 nan 0.000 0.443 113 F N 0.562 120.503 119.950 -0.016 0.000 2.134 113 F HA -0.130 4.397 4.527 0.000 0.000 0.299 113 F C 1.774 177.569 175.800 -0.008 0.000 1.097 113 F CA 1.732 59.724 58.000 -0.013 0.000 1.264 113 F CB -0.249 38.743 39.000 -0.013 0.000 1.001 113 F HN 0.132 nan 8.300 nan 0.000 0.479 114 L N -0.155 121.057 121.223 -0.018 0.000 2.201 114 L HA -0.113 4.227 4.340 0.000 0.000 0.212 114 L C 2.514 179.293 176.870 -0.150 0.000 1.105 114 L CA 1.078 55.852 54.840 -0.112 0.000 0.775 114 L CB -0.799 41.285 42.059 0.042 0.000 0.913 114 L HN 0.273 nan 8.230 nan 0.000 0.440 115 A N -1.487 121.271 122.820 -0.102 0.000 2.195 115 A HA 0.054 4.375 4.320 0.000 0.000 0.210 115 A C 1.402 178.920 177.584 -0.110 0.000 1.165 115 A CA 0.194 52.180 52.037 -0.085 0.000 0.806 115 A CB -0.107 18.868 19.000 -0.041 0.000 0.847 115 A HN 0.287 nan 8.150 nan 0.000 0.482 116 S N 0.708 116.313 115.700 -0.159 0.000 2.589 116 S HA 0.164 4.634 4.470 0.000 0.000 0.265 116 S C 0.532 175.033 174.600 -0.164 0.000 1.342 116 S CA 0.414 58.525 58.200 -0.149 0.000 1.005 116 S CB 0.497 63.601 63.200 -0.161 0.000 0.909 116 S HN 0.490 nan 8.310 nan 0.000 0.555 117 D N 2.056 122.391 120.400 -0.109 0.000 2.424 117 D HA 0.083 4.723 4.640 0.000 0.000 0.220 117 D C 1.077 177.327 176.300 -0.083 0.000 1.150 117 D CA -0.224 53.720 54.000 -0.094 0.000 0.831 117 D CB -0.491 40.272 40.800 -0.062 0.000 0.981 117 D HN 0.484 nan 8.370 nan 0.000 0.500 118 I N -0.401 120.114 120.570 -0.092 0.000 2.546 118 I HA 0.048 4.218 4.170 0.000 0.000 0.255 118 I C -0.026 176.069 176.117 -0.037 0.000 1.163 118 I CA 0.921 62.196 61.300 -0.041 0.000 1.457 118 I CB 0.266 38.273 38.000 0.012 0.000 1.092 118 I HN -0.004 nan 8.210 nan 0.000 0.434 119 L N 1.097 122.267 121.223 -0.089 0.000 2.388 119 L HA 0.487 4.827 4.340 0.000 0.000 0.264 119 L C -2.427 174.392 176.870 -0.084 0.000 0.998 119 L CA -2.158 52.649 54.840 -0.056 0.000 0.817 119 L CB 1.705 43.756 42.059 -0.014 0.000 1.338 119 L HN -0.199 nan 8.230 nan 0.000 0.414 120 P HA -0.020 nan 4.420 nan 0.000 0.270 120 P C 0.636 177.902 177.300 -0.056 0.000 1.223 120 P CA -0.399 62.672 63.100 -0.048 0.000 0.785 120 P CB 1.086 32.770 31.700 -0.025 0.000 0.923 121 L N 3.176 124.365 121.223 -0.056 0.000 2.021 121 L HA -0.158 4.182 4.340 0.000 0.000 0.215 121 L C 2.483 179.336 176.870 -0.028 0.000 1.074 121 L CA 2.880 57.687 54.840 -0.055 0.000 0.760 121 L CB -1.730 40.303 42.059 -0.043 0.000 0.889 121 L HN 0.581 nan 8.230 nan 0.000 0.433 122 G N -1.371 107.421 108.800 -0.013 0.000 2.440 122 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 122 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 122 G C 1.602 176.517 174.900 0.025 0.000 1.154 122 G CA 0.917 46.020 45.100 0.005 0.000 0.767 122 G HN 0.682 nan 8.290 nan 0.000 0.552 123 A N 0.586 123.421 122.820 0.025 0.000 1.933 123 A HA 0.003 4.323 4.320 0.000 0.000 0.218 123 A C 2.439 180.080 177.584 0.095 0.000 1.175 123 A CA 1.652 53.724 52.037 0.058 0.000 0.628 123 A CB -0.375 18.657 19.000 0.052 0.000 0.814 123 A HN 0.360 nan 8.150 nan 0.000 0.444 124 R N -0.622 119.899 120.500 0.036 0.000 2.066 124 R HA -0.014 4.326 4.340 0.000 0.000 0.232 124 R C 2.048 178.441 176.300 0.154 0.000 1.131 124 R CA 1.481 57.606 56.100 0.041 0.000 0.955 124 R CB -0.488 29.672 30.300 -0.233 0.000 0.851 124 R HN 0.522 nan 8.270 nan 0.000 0.432 125 L N 0.113 121.384 121.223 0.080 0.000 2.131 125 L HA -0.141 4.199 4.340 0.000 0.000 0.210 125 L C 2.570 179.506 176.870 0.111 0.000 1.092 125 L CA 0.954 55.848 54.840 0.091 0.000 0.759 125 L CB -0.350 41.741 42.059 0.053 0.000 0.903 125 L HN 0.077 nan 8.230 nan 0.000 0.435 126 R N 0.438 121.001 120.500 0.104 0.000 2.096 126 R HA -0.111 4.229 4.340 0.000 0.000 0.235 126 R C 1.993 178.362 176.300 0.116 0.000 1.127 126 R CA 1.504 57.666 56.100 0.103 0.000 0.968 126 R CB -0.846 29.507 30.300 0.090 0.000 0.861 126 R HN 0.122 nan 8.270 nan 0.000 0.440 127 V N 0.799 120.804 119.914 0.151 0.000 2.343 127 V HA -0.183 3.937 4.120 0.000 0.000 0.247 127 V C 2.354 178.494 176.094 0.078 0.000 1.051 127 V CA 1.889 64.260 62.300 0.117 0.000 1.036 127 V CB -0.980 30.945 31.823 0.170 0.000 0.654 127 V HN 0.531 nan 8.190 nan 0.000 0.451 128 A N 0.607 123.503 122.820 0.127 0.000 1.972 128 A HA -0.094 4.226 4.320 0.000 0.000 0.219 128 A C 2.276 179.912 177.584 0.088 0.000 1.169 128 A CA 1.725 53.818 52.037 0.092 0.000 0.635 128 A CB -1.032 18.040 19.000 0.119 0.000 0.810 128 A HN 0.568 nan 8.150 nan 0.000 0.446 129 G N -0.832 108.050 108.800 0.136 0.000 2.776 129 G HA2 -0.110 3.851 3.960 0.000 0.000 0.209 129 G HA3 -0.110 3.851 3.960 0.000 0.000 0.209 129 G C 1.175 176.169 174.900 0.157 0.000 1.145 129 G CA 0.691 45.926 45.100 0.225 0.000 0.791 129 G HN 0.536 nan 8.290 nan 0.000 0.530 130 E N 0.472 120.706 120.200 0.056 0.000 2.267 130 E HA -0.109 4.241 4.350 0.000 0.000 0.197 130 E C 2.273 178.842 176.600 -0.051 0.000 0.998 130 E CA 0.466 56.875 56.400 0.016 0.000 0.830 130 E CB -0.154 29.550 29.700 0.006 0.000 0.751 130 E HN 0.508 nan 8.360 nan 0.000 0.491 131 L N -0.544 120.575 121.223 -0.173 0.000 2.261 131 L HA -0.152 4.188 4.340 0.000 0.000 0.216 131 L C 1.226 177.756 176.870 -0.566 0.000 1.114 131 L CA 0.914 55.497 54.840 -0.429 0.000 0.777 131 L CB -0.184 41.472 42.059 -0.672 0.000 0.910 131 L HN 0.081 nan 8.230 nan 0.000 0.440 132 F N -1.662 118.281 119.950 -0.011 0.000 2.772 132 F HA 0.196 4.723 4.527 0.000 0.000 0.302 132 F C 1.193 176.962 175.800 -0.051 0.000 1.136 132 F CA -0.537 57.450 58.000 -0.022 0.000 1.322 132 F CB -0.058 38.933 39.000 -0.016 0.000 0.967 132 F HN -0.221 nan 8.300 nan 0.000 0.513 133 S N 1.546 117.254 115.700 0.012 0.000 2.552 133 S HA 0.118 4.588 4.470 0.000 0.000 0.289 133 S C 0.789 175.328 174.600 -0.102 0.000 1.304 133 S CA -0.382 57.749 58.200 -0.114 0.000 1.063 133 S CB 0.329 63.341 63.200 -0.313 0.000 0.848 133 S HN 0.318 nan 8.310 nan 0.000 0.499 134 R N 1.846 122.279 120.500 -0.112 0.000 2.738 134 R HA 0.132 4.472 4.340 0.000 0.000 0.268 134 R C 0.918 177.149 176.300 -0.114 0.000 1.062 134 R CA -0.348 55.705 56.100 -0.078 0.000 1.158 134 R CB 0.365 30.630 30.300 -0.058 0.000 1.046 134 R HN 0.678 nan 8.270 nan 0.000 0.493 135 R N 0.827 121.293 120.500 -0.058 0.000 2.679 135 R HA 0.308 4.648 4.340 0.000 0.000 0.269 135 R C -0.387 175.892 176.300 -0.035 0.000 1.076 135 R CA -0.351 55.725 56.100 -0.039 0.000 1.160 135 R CB 0.423 30.719 30.300 -0.006 0.000 1.054 135 R HN 0.567 nan 8.270 nan 0.000 0.507 136 A N 3.194 126.016 122.820 0.002 0.000 2.531 136 A HA 0.207 4.527 4.320 0.000 0.000 0.236 136 A C -1.799 175.805 177.584 0.034 0.000 1.062 136 A CA -1.244 50.816 52.037 0.038 0.000 0.760 136 A CB -0.476 18.586 19.000 0.103 0.000 0.995 136 A HN 0.698 nan 8.150 nan 0.000 0.501 137 P HA 0.060 nan 4.420 nan 0.000 0.262 137 P C -0.515 176.809 177.300 0.039 0.000 1.199 137 P CA 0.106 63.226 63.100 0.034 0.000 0.763 137 P CB 0.442 32.165 31.700 0.039 0.000 0.790 138 E N 2.364 122.582 120.200 0.030 0.000 2.328 138 E HA 0.176 4.526 4.350 0.000 0.000 0.265 138 E C 1.487 178.104 176.600 0.028 0.000 1.057 138 E CA 0.626 57.044 56.400 0.028 0.000 0.916 138 E CB -0.096 29.617 29.700 0.021 0.000 0.993 138 E HN 0.793 nan 8.360 nan 0.000 0.446 139 G N 2.141 110.960 108.800 0.032 0.000 2.153 139 G HA2 -0.278 3.682 3.960 0.000 0.000 0.252 139 G HA3 -0.278 3.682 3.960 0.000 0.000 0.252 139 G C 0.294 175.211 174.900 0.030 0.000 0.994 139 G CA 0.501 45.618 45.100 0.028 0.000 0.698 139 G HN 0.566 nan 8.290 nan 0.000 0.521 140 V N -1.795 118.141 119.914 0.037 0.000 2.483 140 V HA 0.747 4.868 4.120 0.000 0.000 0.295 140 V C 0.098 176.220 176.094 0.046 0.000 1.035 140 V CA -0.777 61.546 62.300 0.039 0.000 0.896 140 V CB 2.062 33.908 31.823 0.039 0.000 0.986 140 V HN 0.121 nan 8.190 nan 0.000 0.447 141 D N 4.109 124.533 120.400 0.040 0.000 2.489 141 D HA 0.100 4.740 4.640 0.000 0.000 0.237 141 D C 0.322 176.652 176.300 0.050 0.000 1.212 141 D CA 0.363 54.388 54.000 0.042 0.000 1.058 141 D CB 0.037 40.857 40.800 0.033 0.000 1.098 141 D HN 0.867 nan 8.370 nan 0.000 0.509 142 E N 1.542 121.783 120.200 0.069 0.000 2.392 142 E HA 0.069 4.419 4.350 0.000 0.000 0.264 142 E C -0.008 176.640 176.600 0.080 0.000 1.024 142 E CA -0.349 56.105 56.400 0.090 0.000 0.903 142 E CB 0.586 30.372 29.700 0.145 0.000 0.963 142 E HN 0.458 nan 8.360 nan 0.000 0.432 143 S N 4.537 120.283 115.700 0.075 0.000 2.593 143 S HA 0.003 4.473 4.470 0.000 0.000 0.269 143 S C 1.325 175.980 174.600 0.092 0.000 1.334 143 S CA -0.866 57.370 58.200 0.061 0.000 1.015 143 S CB 1.058 64.287 63.200 0.047 0.000 0.912 143 S HN 0.733 nan 8.310 nan 0.000 0.541 144 L N 1.595 122.855 121.223 0.060 0.000 2.079 144 L HA -0.112 4.228 4.340 0.000 0.000 0.210 144 L C 2.641 179.588 176.870 0.128 0.000 1.081 144 L CA 2.370 57.255 54.840 0.075 0.000 0.752 144 L CB -1.518 40.571 42.059 0.050 0.000 0.896 144 L HN 1.001 nan 8.230 nan 0.000 0.433 145 A N -0.505 122.363 122.820 0.081 0.000 1.929 145 A HA -0.073 4.247 4.320 0.000 0.000 0.216 145 A C 2.461 180.071 177.584 0.043 0.000 1.176 145 A CA 1.416 53.484 52.037 0.052 0.000 0.628 145 A CB -0.600 18.414 19.000 0.023 0.000 0.816 145 A HN 0.532 nan 8.150 nan 0.000 0.444 146 A N -0.840 122.021 122.820 0.068 0.000 1.877 146 A HA -0.094 4.226 4.320 0.000 0.000 0.216 146 A C 2.057 179.703 177.584 0.104 0.000 1.186 146 A CA 1.628 53.701 52.037 0.061 0.000 0.620 146 A CB -0.834 18.210 19.000 0.074 0.000 0.822 146 A HN 0.701 nan 8.150 nan 0.000 0.443 147 F N 1.164 121.133 119.950 0.032 0.000 2.091 147 F HA -0.135 4.392 4.527 0.000 0.000 0.299 147 F C 2.308 178.174 175.800 0.110 0.000 1.103 147 F CA 1.806 59.863 58.000 0.095 0.000 1.228 147 F CB -0.636 38.410 39.000 0.076 0.000 0.984 147 F HN 0.215 nan 8.300 nan 0.000 0.477 148 G N 0.009 108.929 108.800 0.201 0.000 2.421 148 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 148 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 148 G C 1.783 176.657 174.900 -0.043 0.000 1.171 148 G CA 0.822 45.962 45.100 0.067 0.000 0.775 148 G HN 0.327 nan 8.290 nan 0.000 0.543 149 R N -0.222 120.219 120.500 -0.098 0.000 2.091 149 R HA -0.005 4.335 4.340 0.000 0.000 0.238 149 R C 2.805 179.051 176.300 -0.091 0.000 1.136 149 R CA 1.270 57.263 56.100 -0.179 0.000 0.959 149 R CB -0.272 29.834 30.300 -0.324 0.000 0.856 149 R HN 0.249 nan 8.270 nan 0.000 0.437 150 R N -0.701 119.725 120.500 -0.124 0.000 2.073 150 R HA -0.108 4.232 4.340 0.000 0.000 0.234 150 R C 2.234 178.372 176.300 -0.271 0.000 1.134 150 R CA 1.407 57.389 56.100 -0.198 0.000 0.952 150 R CB -0.153 29.978 30.300 -0.283 0.000 0.850 150 R HN 0.424 nan 8.270 nan 0.000 0.433 151 H N -0.738 118.165 119.070 -0.278 0.000 2.306 151 H HA -0.013 4.543 4.556 0.000 0.000 0.307 151 H C 1.863 177.105 175.328 -0.142 0.000 1.061 151 H CA 1.103 56.989 56.048 -0.270 0.000 1.359 151 H CB 0.238 29.711 29.762 -0.481 0.000 1.407 151 H HN 0.056 nan 8.280 nan 0.000 0.517 152 L N -0.412 120.819 121.223 0.015 0.000 2.354 152 L HA 0.208 4.548 4.340 0.000 0.000 0.212 152 L C 1.003 177.902 176.870 0.049 0.000 1.091 152 L CA 1.100 55.952 54.840 0.020 0.000 0.828 152 L CB -0.237 41.827 42.059 0.008 0.000 0.973 152 L HN 0.480 nan 8.230 nan 0.000 0.461 153 G N -1.765 107.064 108.800 0.048 0.000 2.662 153 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 153 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 153 G C 0.503 175.471 174.900 0.113 0.000 1.271 153 G CA -0.092 45.074 45.100 0.110 0.000 0.816 153 G HN 0.231 nan 8.290 nan 0.000 0.608 154 H N 0.582 119.670 119.070 0.031 0.000 2.353 154 H HA -0.079 4.478 4.556 0.000 0.000 0.300 154 H C 2.815 178.167 175.328 0.041 0.000 1.090 154 H CA 1.816 57.884 56.048 0.033 0.000 1.327 154 H CB 0.224 30.002 29.762 0.027 0.000 1.383 154 H HN 0.368 nan 8.280 nan 0.000 0.508 155 R N 0.615 121.214 120.500 0.164 0.000 2.066 155 R HA -0.033 4.307 4.340 0.000 0.000 0.232 155 R C 2.484 178.842 176.300 0.096 0.000 1.131 155 R CA 0.946 57.112 56.100 0.111 0.000 0.955 155 R CB -0.713 29.641 30.300 0.090 0.000 0.851 155 R HN 0.261 nan 8.270 nan 0.000 0.432 156 A N 0.448 123.329 122.820 0.102 0.000 1.902 156 A HA -0.184 4.136 4.320 0.000 0.000 0.217 156 A C 2.333 179.954 177.584 0.062 0.000 1.181 156 A CA 2.257 54.352 52.037 0.097 0.000 0.623 156 A CB -0.835 18.224 19.000 0.099 0.000 0.818 156 A HN 0.433 nan 8.150 nan 0.000 0.443 157 T N -2.048 112.532 114.554 0.043 0.000 2.904 157 T HA -0.140 4.210 4.350 0.000 0.000 0.267 157 T C 2.034 176.756 174.700 0.036 0.000 1.059 157 T CA 1.826 63.941 62.100 0.026 0.000 1.137 157 T CB -0.207 68.657 68.868 -0.006 0.000 0.879 157 T HN 0.434 nan 8.240 nan 0.000 0.467 158 Q N 0.351 120.178 119.800 0.046 0.000 2.172 158 Q HA 0.039 4.379 4.340 0.000 0.000 0.200 158 Q C 2.191 178.232 176.000 0.067 0.000 0.964 158 Q CA 1.732 57.569 55.803 0.057 0.000 0.855 158 Q CB -0.068 28.713 28.738 0.072 0.000 0.918 158 Q HN 0.583 nan 8.270 nan 0.000 0.444 159 V N -3.086 116.871 119.914 0.072 0.000 2.908 159 V HA 0.159 4.279 4.120 0.000 0.000 0.240 159 V C 1.619 177.762 176.094 0.082 0.000 1.117 159 V CA 0.534 62.882 62.300 0.080 0.000 1.133 159 V CB -0.149 31.720 31.823 0.075 0.000 0.857 159 V HN 0.280 nan 8.190 nan 0.000 0.478 160 L N -0.403 120.865 121.223 0.075 0.000 2.145 160 L HA 0.192 4.532 4.340 0.000 0.000 0.201 160 L C 2.593 179.488 176.870 0.042 0.000 1.075 160 L CA 1.205 56.084 54.840 0.065 0.000 0.773 160 L CB -0.235 41.864 42.059 0.066 0.000 0.936 160 L HN 0.294 nan 8.230 nan 0.000 0.451 161 L N 0.030 121.270 121.223 0.028 0.000 2.109 161 L HA -0.208 4.133 4.340 0.000 0.000 0.207 161 L C 2.046 178.941 176.870 0.041 0.000 1.086 161 L CA 1.540 56.384 54.840 0.007 0.000 0.760 161 L CB -0.176 41.885 42.059 0.003 0.000 0.910 161 L HN 0.334 nan 8.230 nan 0.000 0.437 162 D N -0.283 120.151 120.400 0.057 0.000 2.144 162 D HA -0.157 4.483 4.640 0.000 0.000 0.200 162 D C 2.119 178.469 176.300 0.085 0.000 0.978 162 D CA 1.268 55.311 54.000 0.072 0.000 0.833 162 D CB 0.270 41.111 40.800 0.068 0.000 0.961 162 D HN 0.325 nan 8.370 nan 0.000 0.470 163 A N -0.155 122.716 122.820 0.084 0.000 1.877 163 A HA -0.116 4.204 4.320 0.000 0.000 0.216 163 A C 2.520 180.159 177.584 0.092 0.000 1.186 163 A CA 1.568 53.660 52.037 0.092 0.000 0.620 163 A CB -0.929 18.131 19.000 0.100 0.000 0.822 163 A HN 0.194 nan 8.150 nan 0.000 0.443 164 V N 1.053 121.020 119.914 0.090 0.000 2.287 164 V HA -0.353 3.767 4.120 0.000 0.000 0.248 164 V C 2.897 179.105 176.094 0.190 0.000 1.053 164 V CA 2.580 64.949 62.300 0.115 0.000 1.027 164 V CB -0.987 30.875 31.823 0.065 0.000 0.646 164 V HN 0.925 nan 8.190 nan 0.000 0.447 165 Q N -0.164 119.766 119.800 0.216 0.000 2.119 165 Q HA -0.149 4.191 4.340 0.000 0.000 0.201 165 Q C 1.871 177.989 176.000 0.197 0.000 0.972 165 Q CA 2.410 58.394 55.803 0.302 0.000 0.847 165 Q CB -1.289 27.612 28.738 0.273 0.000 0.903 165 Q HN 0.476 nan 8.270 nan 0.000 0.433 166 T N 0.553 115.181 114.554 0.123 0.000 2.720 166 T HA -0.123 4.227 4.350 0.000 0.000 0.268 166 T C 1.804 176.526 174.700 0.037 0.000 1.037 166 T CA 1.562 63.707 62.100 0.075 0.000 1.144 166 T CB -0.879 68.026 68.868 0.062 0.000 0.864 166 T HN 0.662 nan 8.240 nan 0.000 0.444 167 G N 0.509 109.333 108.800 0.039 0.000 2.448 167 G HA2 -0.064 3.896 3.960 0.000 0.000 0.219 167 G HA3 -0.064 3.896 3.960 0.000 0.000 0.219 167 G C 1.406 176.276 174.900 -0.049 0.000 1.127 167 G CA 0.498 45.603 45.100 0.009 0.000 0.766 167 G HN 0.520 nan 8.290 nan 0.000 0.552 168 I N -2.358 118.152 120.570 -0.101 0.000 3.039 168 I HA 0.183 4.353 4.170 0.000 0.000 0.270 168 I C 1.751 177.536 176.117 -0.553 0.000 1.150 168 I CA 0.382 61.457 61.300 -0.375 0.000 1.448 168 I CB 0.285 37.949 38.000 -0.560 0.000 1.197 168 I HN 0.073 nan 8.210 nan 0.000 0.450 169 Y N 0.648 120.878 120.300 -0.117 0.000 2.444 169 Y HA 0.525 5.075 4.550 0.000 0.000 0.252 169 Y C 1.414 177.248 175.900 -0.111 0.000 1.091 169 Y CA 0.171 58.171 58.100 -0.167 0.000 1.276 169 Y CB 0.325 38.664 38.460 -0.202 0.000 1.170 169 Y HN 0.077 nan 8.280 nan 0.000 0.517 170 A N 1.204 124.059 122.820 0.057 0.000 2.560 170 A HA -0.064 4.256 4.320 0.000 0.000 0.299 170 A C 0.782 178.397 177.584 0.052 0.000 1.484 170 A CA 0.942 53.003 52.037 0.041 0.000 0.749 170 A CB -1.740 17.269 19.000 0.015 0.000 1.072 170 A HN 0.577 nan 8.150 nan 0.000 0.426 171 G N -1.053 107.790 108.800 0.071 0.000 3.108 171 G HA2 0.580 4.541 3.960 0.000 0.000 0.268 171 G HA3 0.580 4.541 3.960 0.000 0.000 0.268 171 G C -0.998 173.923 174.900 0.035 0.000 1.361 171 G CA 0.161 45.285 45.100 0.040 0.000 1.047 171 G HN 0.405 nan 8.290 nan 0.000 0.540 172 D N -0.254 120.156 120.400 0.017 0.000 2.274 172 D HA 0.192 4.832 4.640 0.000 0.000 0.239 172 D C 1.264 177.574 176.300 0.017 0.000 1.104 172 D CA -0.481 53.532 54.000 0.022 0.000 0.840 172 D CB 1.783 42.594 40.800 0.018 0.000 1.100 172 D HN 0.011 nan 8.370 nan 0.000 0.477 173 V N 4.615 124.549 119.914 0.032 0.000 2.594 173 V HA -0.142 3.978 4.120 0.000 0.000 0.253 173 V C 1.631 177.742 176.094 0.028 0.000 1.069 173 V CA 1.618 63.940 62.300 0.036 0.000 1.082 173 V CB -0.112 31.739 31.823 0.047 0.000 0.680 173 V HN 0.502 nan 8.190 nan 0.000 0.469 174 E N -0.856 119.359 120.200 0.025 0.000 2.371 174 E HA -0.076 4.275 4.350 0.000 0.000 0.194 174 E C 2.042 178.654 176.600 0.020 0.000 1.012 174 E CA 0.504 56.919 56.400 0.025 0.000 0.860 174 E CB 0.041 29.757 29.700 0.026 0.000 0.811 174 E HN 0.608 nan 8.360 nan 0.000 0.502 175 Q N -0.165 119.641 119.800 0.010 0.000 2.394 175 Q HA 0.187 4.527 4.340 0.000 0.000 0.218 175 Q C 1.027 177.018 176.000 -0.015 0.000 0.907 175 Q CA 0.039 55.844 55.803 0.003 0.000 0.919 175 Q CB 0.377 29.117 28.738 0.003 0.000 1.051 175 Q HN 0.247 nan 8.270 nan 0.000 0.538 176 L N 1.807 123.007 121.223 -0.039 0.000 2.490 176 L HA 0.062 4.402 4.340 0.000 0.000 0.274 176 L C 0.686 177.526 176.870 -0.051 0.000 1.201 176 L CA -0.143 54.643 54.840 -0.090 0.000 0.869 176 L CB 0.434 42.402 42.059 -0.151 0.000 1.123 176 L HN -0.033 nan 8.230 nan 0.000 0.484 177 S N 2.280 117.945 115.700 -0.059 0.000 2.465 177 S HA 0.102 4.572 4.470 0.000 0.000 0.279 177 S C 0.819 175.396 174.600 -0.039 0.000 1.201 177 S CA -0.700 57.486 58.200 -0.022 0.000 1.053 177 S CB 1.466 64.669 63.200 0.006 0.000 0.953 177 S HN 0.491 nan 8.310 nan 0.000 0.488 178 V N 5.830 125.722 119.914 -0.036 0.000 2.515 178 V HA -0.025 4.095 4.120 0.000 0.000 0.250 178 V C 2.387 178.436 176.094 -0.074 0.000 1.058 178 V CA 2.522 64.766 62.300 -0.093 0.000 1.064 178 V CB -1.045 30.587 31.823 -0.319 0.000 0.675 178 V HN 1.018 nan 8.190 nan 0.000 0.461 179 A N -0.361 122.435 122.820 -0.039 0.000 1.969 179 A HA 0.052 4.372 4.320 0.000 0.000 0.218 179 A C 2.311 179.902 177.584 0.012 0.000 1.169 179 A CA 1.940 53.973 52.037 -0.008 0.000 0.635 179 A CB -0.686 18.323 19.000 0.014 0.000 0.810 179 A HN 0.810 nan 8.150 nan 0.000 0.445 180 A N -0.837 121.993 122.820 0.016 0.000 2.030 180 A HA 0.107 4.427 4.320 0.000 0.000 0.215 180 A C 2.279 179.902 177.584 0.064 0.000 1.164 180 A CA 1.923 53.995 52.037 0.059 0.000 0.697 180 A CB -0.645 18.395 19.000 0.065 0.000 0.827 180 A HN 0.634 nan 8.150 nan 0.000 0.457 181 T N -4.316 110.187 114.554 -0.086 0.000 3.021 181 T HA 0.276 4.626 4.350 0.000 0.000 0.245 181 T C 0.206 174.612 174.700 -0.489 0.000 1.028 181 T CA 0.267 62.173 62.100 -0.324 0.000 1.139 181 T CB -0.224 68.303 68.868 -0.569 0.000 0.884 181 T HN 0.130 nan 8.240 nan 0.000 0.457 182 F N 2.082 121.991 119.950 -0.069 0.000 2.550 182 F HA 0.465 4.992 4.527 0.000 0.000 0.348 182 F C -2.197 173.545 175.800 -0.097 0.000 1.219 182 F CA -2.519 55.431 58.000 -0.083 0.000 1.203 182 F CB 1.826 40.731 39.000 -0.158 0.000 1.436 182 F HN -0.001 nan 8.300 nan 0.000 0.541 183 P HA -0.141 nan 4.420 nan 0.000 0.217 183 P C 1.917 179.245 177.300 0.046 0.000 1.150 183 P CA 1.477 64.600 63.100 0.039 0.000 0.832 183 P CB 0.227 31.947 31.700 0.033 0.000 0.787 184 M N -1.513 118.125 119.600 0.063 0.000 2.229 184 M HA -0.092 4.388 4.480 0.000 0.000 0.264 184 M C 1.929 178.261 176.300 0.054 0.000 1.063 184 M CA 1.513 56.848 55.300 0.058 0.000 1.114 184 M CB -0.643 31.993 32.600 0.060 0.000 1.387 184 M HN -0.053 nan 8.290 nan 0.000 0.420 185 L N -1.042 120.206 121.223 0.041 0.000 2.093 185 L HA -0.156 4.184 4.340 0.000 0.000 0.208 185 L C 2.291 179.190 176.870 0.048 0.000 1.085 185 L CA 0.708 55.554 54.840 0.009 0.000 0.755 185 L CB -0.579 41.407 42.059 -0.120 0.000 0.904 185 L HN 0.105 nan 8.230 nan 0.000 0.435 186 V N -0.044 119.874 119.914 0.007 0.000 2.548 186 V HA -0.253 3.867 4.120 0.000 0.000 0.249 186 V C 2.546 178.696 176.094 0.093 0.000 1.055 186 V CA 1.530 63.870 62.300 0.067 0.000 1.065 186 V CB -0.417 31.419 31.823 0.021 0.000 0.681 186 V HN 0.410 nan 8.190 nan 0.000 0.462 187 K N -0.455 119.988 120.400 0.071 0.000 2.057 187 K HA -0.129 4.191 4.320 0.000 0.000 0.206 187 K C 2.223 178.881 176.600 0.097 0.000 1.050 187 K CA 1.525 57.854 56.287 0.071 0.000 0.935 187 K CB -0.129 32.407 32.500 0.058 0.000 0.715 187 K HN 0.321 nan 8.250 nan 0.000 0.439 188 M N 0.507 120.176 119.600 0.115 0.000 2.229 188 M HA -0.152 4.328 4.480 0.000 0.000 0.264 188 M C 2.036 178.445 176.300 0.182 0.000 1.063 188 M CA 1.356 56.754 55.300 0.164 0.000 1.114 188 M CB -0.104 32.563 32.600 0.111 0.000 1.387 188 M HN 0.266 nan 8.290 nan 0.000 0.420 189 E N 0.240 120.545 120.200 0.176 0.000 2.072 189 E HA -0.264 4.086 4.350 0.000 0.000 0.191 189 E C 1.979 178.669 176.600 0.150 0.000 0.985 189 E CA 1.232 57.762 56.400 0.215 0.000 0.801 189 E CB 0.090 29.988 29.700 0.330 0.000 0.750 189 E HN 0.248 nan 8.360 nan 0.000 0.452 190 R N 0.926 121.494 120.500 0.113 0.000 2.081 190 R HA -0.144 4.196 4.340 0.000 0.000 0.235 190 R C 1.874 178.178 176.300 0.006 0.000 1.131 190 R CA 2.088 58.224 56.100 0.060 0.000 0.960 190 R CB -0.055 30.274 30.300 0.048 0.000 0.856 190 R HN 0.210 nan 8.270 nan 0.000 0.436 191 E N -1.799 118.390 120.200 -0.019 0.000 2.230 191 E HA -0.063 4.287 4.350 0.000 0.000 0.192 191 E C 0.987 177.327 176.600 -0.433 0.000 0.987 191 E CA 0.846 57.118 56.400 -0.214 0.000 0.841 191 E CB 0.262 29.835 29.700 -0.212 0.000 0.783 191 E HN 0.522 nan 8.360 nan 0.000 0.481 192 H N -1.665 117.425 119.070 0.033 0.000 3.535 192 H HA 0.286 4.842 4.556 0.000 0.000 0.260 192 H C 1.012 176.355 175.328 0.026 0.000 1.173 192 H CA 0.310 56.371 56.048 0.021 0.000 1.168 192 H CB 1.070 30.839 29.762 0.012 0.000 1.568 192 H HN 0.028 nan 8.280 nan 0.000 0.602 193 R N 0.483 121.066 120.500 0.138 0.000 1.384 193 R HA -0.214 4.126 4.340 0.000 0.000 0.053 193 R C 0.548 176.942 176.300 0.157 0.000 0.951 193 R CA 1.589 57.758 56.100 0.114 0.000 1.970 193 R CB -1.319 29.013 30.300 0.053 0.000 0.294 193 R HN 0.199 nan 8.270 nan 0.000 0.723 194 S N 0.075 115.840 115.700 0.108 0.000 2.525 194 S HA 0.418 4.888 4.470 0.000 0.000 0.278 194 S C 1.086 175.720 174.600 0.055 0.000 1.234 194 S CA -0.610 57.637 58.200 0.078 0.000 1.058 194 S CB 1.530 64.714 63.200 -0.026 0.000 0.983 194 S HN 0.288 nan 8.310 nan 0.000 0.495 195 L N 5.437 126.673 121.223 0.021 0.000 2.072 195 L HA 0.147 4.487 4.340 0.000 0.000 0.205 195 L C 2.151 178.977 176.870 -0.073 0.000 1.079 195 L CA 1.444 56.258 54.840 -0.044 0.000 0.752 195 L CB -0.663 41.333 42.059 -0.105 0.000 0.906 195 L HN 0.765 nan 8.230 nan 0.000 0.436 196 I N -1.269 119.255 120.570 -0.076 0.000 2.163 196 I HA -0.326 3.844 4.170 0.000 0.000 0.243 196 I C 2.355 178.410 176.117 -0.104 0.000 1.085 196 I CA 1.031 62.275 61.300 -0.093 0.000 1.347 196 I CB -0.272 37.672 38.000 -0.094 0.000 1.044 196 I HN 0.213 nan 8.210 nan 0.000 0.408 197 L N 0.944 122.107 121.223 -0.100 0.000 2.083 197 L HA -0.087 4.253 4.340 0.000 0.000 0.209 197 L C 2.374 179.128 176.870 -0.192 0.000 1.083 197 L CA 2.054 56.830 54.840 -0.107 0.000 0.752 197 L CB -1.148 40.874 42.059 -0.061 0.000 0.899 197 L HN 0.204 nan 8.230 nan 0.000 0.433 198 G N -1.301 107.360 108.800 -0.230 0.000 2.421 198 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 198 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 198 G C 1.616 176.317 174.900 -0.331 0.000 1.171 198 G CA 0.791 45.602 45.100 -0.482 0.000 0.775 198 G HN 0.578 nan 8.290 nan 0.000 0.543 199 A N 0.695 123.405 122.820 -0.183 0.000 1.902 199 A HA 0.066 4.386 4.320 0.000 0.000 0.217 199 A C 2.409 179.922 177.584 -0.119 0.000 1.181 199 A CA 1.280 53.239 52.037 -0.129 0.000 0.623 199 A CB -0.348 18.594 19.000 -0.098 0.000 0.818 199 A HN 0.379 nan 8.150 nan 0.000 0.443 200 I N -0.984 119.515 120.570 -0.119 0.000 2.226 200 I HA -0.269 3.901 4.170 0.000 0.000 0.245 200 I C 2.767 178.828 176.117 -0.093 0.000 1.100 200 I CA 1.479 62.724 61.300 -0.091 0.000 1.374 200 I CB -0.301 37.652 38.000 -0.078 0.000 1.057 200 I HN 0.264 nan 8.210 nan 0.000 0.413 201 R N 0.553 120.970 120.500 -0.138 0.000 2.115 201 R HA -0.056 4.284 4.340 0.000 0.000 0.230 201 R C 2.435 178.678 176.300 -0.094 0.000 1.111 201 R CA 1.268 57.299 56.100 -0.115 0.000 0.976 201 R CB -0.367 29.840 30.300 -0.155 0.000 0.870 201 R HN 0.359 nan 8.270 nan 0.000 0.445 202 A N 0.995 123.738 122.820 -0.127 0.000 1.898 202 A HA -0.193 4.127 4.320 0.000 0.000 0.216 202 A C 1.992 179.548 177.584 -0.047 0.000 1.181 202 A CA 1.105 53.098 52.037 -0.074 0.000 0.620 202 A CB -0.326 18.626 19.000 -0.079 0.000 0.819 202 A HN 0.296 nan 8.150 nan 0.000 0.442 203 Q N -0.655 119.113 119.800 -0.053 0.000 2.124 203 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 203 Q C 2.135 178.119 176.000 -0.028 0.000 0.977 203 Q CA 1.629 57.410 55.803 -0.038 0.000 0.850 203 Q CB -0.158 28.555 28.738 -0.041 0.000 0.901 203 Q HN 0.680 nan 8.270 nan 0.000 0.429 204 K N 0.223 120.606 120.400 -0.029 0.000 2.155 204 K HA -0.072 4.248 4.320 0.000 0.000 0.203 204 K C 1.930 178.524 176.600 -0.010 0.000 1.052 204 K CA 0.903 57.180 56.287 -0.018 0.000 0.948 204 K CB 0.009 32.499 32.500 -0.017 0.000 0.728 204 K HN 0.149 nan 8.250 nan 0.000 0.448 205 A N 1.640 124.455 122.820 -0.010 0.000 1.897 205 A HA -0.211 4.110 4.320 0.000 0.000 0.215 205 A C 2.019 179.602 177.584 -0.001 0.000 1.181 205 A CA 1.479 53.516 52.037 -0.000 0.000 0.620 205 A CB -0.482 18.522 19.000 0.006 0.000 0.821 205 A HN 0.596 nan 8.150 nan 0.000 0.443 206 Q N -0.727 119.070 119.800 -0.006 0.000 2.172 206 Q HA -0.029 4.311 4.340 0.000 0.000 0.200 206 Q C 1.895 177.892 176.000 -0.005 0.000 0.964 206 Q CA 1.146 56.946 55.803 -0.005 0.000 0.855 206 Q CB -0.297 28.436 28.738 -0.008 0.000 0.918 206 Q HN 0.558 nan 8.270 nan 0.000 0.444 207 R N 0.267 120.763 120.500 -0.007 0.000 2.237 207 R HA -0.043 4.297 4.340 0.000 0.000 0.219 207 R C 1.977 178.275 176.300 -0.003 0.000 1.080 207 R CA 1.397 57.493 56.100 -0.006 0.000 0.995 207 R CB 0.091 30.386 30.300 -0.008 0.000 0.875 207 R HN 0.517 nan 8.270 nan 0.000 0.462 208 Q N -0.403 119.396 119.800 -0.002 0.000 2.200 208 Q HA 0.157 4.497 4.340 0.000 0.000 0.197 208 Q C 0.600 176.601 176.000 0.002 0.000 0.953 208 Q CA 0.578 56.381 55.803 0.001 0.000 0.851 208 Q CB 0.375 29.115 28.738 0.002 0.000 0.938 208 Q HN 0.182 nan 8.270 nan 0.000 0.488 218 K N 2.665 123.067 120.400 0.004 0.000 2.412 218 K HA 0.317 4.637 4.320 0.000 0.000 0.281 218 K C -0.098 176.502 176.600 0.001 0.000 1.027 218 K CA -0.208 56.080 56.287 0.003 0.000 0.989 218 K CB 0.446 32.946 32.500 0.000 0.000 0.935 218 K HN 0.400 nan 8.250 nan 0.000 0.475 219 L N 2.885 124.109 121.223 0.002 0.000 2.418 219 L HA 0.078 4.418 4.340 0.000 0.000 0.265 219 L C 1.689 178.553 176.870 -0.011 0.000 1.143 219 L CA -0.244 54.596 54.840 -0.000 0.000 0.809 219 L CB 1.518 43.582 42.059 0.009 0.000 1.124 219 L HN 0.835 nan 8.230 nan 0.000 0.456 220 S N 0.227 115.915 115.700 -0.021 0.000 2.414 220 S HA -0.003 4.467 4.470 0.000 0.000 0.227 220 S C 1.426 176.001 174.600 -0.042 0.000 1.022 220 S CA 0.432 58.613 58.200 -0.032 0.000 0.958 220 S CB -0.123 63.053 63.200 -0.041 0.000 0.797 220 S HN 1.105 nan 8.310 nan 0.000 0.493 221 G N 1.200 109.972 108.800 -0.047 0.000 2.148 221 G HA2 -0.106 3.854 3.960 0.000 0.000 0.254 221 G HA3 -0.106 3.854 3.960 0.000 0.000 0.254 221 G C 0.228 175.071 174.900 -0.094 0.000 0.981 221 G CA 0.168 45.234 45.100 -0.057 0.000 0.670 221 G HN 1.296 nan 8.290 nan 0.000 0.528 222 A N -0.449 122.303 122.820 -0.114 0.000 2.371 222 A HA 0.708 5.029 4.320 0.000 0.000 0.257 222 A C 0.589 178.042 177.584 -0.218 0.000 1.089 222 A CA -0.098 51.853 52.037 -0.144 0.000 0.794 222 A CB 0.662 19.592 19.000 -0.117 0.000 1.029 222 A HN 1.409 nan 8.150 nan 0.000 0.488 223 L N 2.300 123.381 121.223 -0.237 0.000 2.534 223 L HA 0.282 4.622 4.340 0.000 0.000 0.271 223 L C 0.143 176.876 176.870 -0.228 0.000 1.178 223 L CA 1.211 55.878 54.840 -0.289 0.000 0.907 223 L CB 0.124 41.945 42.059 -0.396 0.000 1.164 223 L HN 0.656 nan 8.230 nan 0.000 0.482 224 S N 2.623 118.055 115.700 -0.447 0.000 2.632 224 S HA 0.801 5.271 4.470 0.000 0.000 0.289 224 S C -0.402 173.805 174.600 -0.654 0.000 1.115 224 S CA -0.553 57.307 58.200 -0.566 0.000 0.889 224 S CB 2.041 64.683 63.200 -0.929 0.000 1.116 224 S HN 0.751 nan 8.310 nan 0.000 0.486 225 T N -0.165 114.093 114.554 -0.493 0.000 2.598 225 T HA 0.751 5.101 4.350 0.000 0.000 0.289 225 T C -1.881 172.573 174.700 -0.409 0.000 1.056 225 T CA -0.466 61.429 62.100 -0.342 0.000 1.088 225 T CB 0.173 68.714 68.868 -0.546 0.000 1.519 225 T HN 0.347 nan 8.240 nan 0.000 0.488 226 F N 1.306 121.258 119.950 0.004 0.000 2.538 226 F HA 0.338 4.865 4.527 0.000 0.000 0.325 226 F C 1.397 177.141 175.800 -0.093 0.000 1.066 226 F CA -0.665 57.316 58.000 -0.032 0.000 0.946 226 F CB 1.406 40.399 39.000 -0.012 0.000 1.199 226 F HN 0.735 nan 8.300 nan 0.000 0.473 227 D N 0.030 120.402 120.400 -0.046 0.000 2.228 227 D HA -0.122 4.518 4.640 0.000 0.000 0.203 227 D C 1.400 177.685 176.300 -0.026 0.000 0.988 227 D CA 1.310 55.112 54.000 -0.329 0.000 0.864 227 D CB -0.528 40.080 40.800 -0.319 0.000 0.928 227 D HN 0.616 nan 8.370 nan 0.000 0.469 228 G N -1.286 107.559 108.800 0.075 0.000 4.291 228 G HA2 0.537 4.497 3.960 0.000 0.000 0.304 228 G HA3 0.537 4.497 3.960 0.000 0.000 0.304 228 G C 0.675 175.642 174.900 0.111 0.000 1.264 228 G CA -0.094 45.066 45.100 0.099 0.000 1.039 228 G HN 0.629 nan 8.290 nan 0.000 0.578 229 G N -0.064 108.835 108.800 0.165 0.000 2.698 229 G HA2 -0.246 3.714 3.960 0.000 0.000 0.233 229 G HA3 -0.246 3.714 3.960 0.000 0.000 0.233 229 G C 0.761 175.750 174.900 0.148 0.000 1.352 229 G CA -0.169 45.003 45.100 0.119 0.000 0.879 229 G HN 0.534 nan 8.290 nan 0.000 0.567 230 L N 0.426 121.719 121.223 0.117 0.000 2.554 230 L HA 0.048 4.388 4.340 0.000 0.000 0.226 230 L C 2.937 179.790 176.870 -0.027 0.000 1.137 230 L CA 0.718 55.638 54.840 0.133 0.000 0.863 230 L CB -0.244 41.889 42.059 0.122 0.000 0.985 230 L HN 0.558 nan 8.230 nan 0.000 0.451 231 Q N -0.054 119.715 119.800 -0.050 0.000 2.226 231 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 231 Q C 2.366 178.278 176.000 -0.147 0.000 0.975 231 Q CA 1.251 56.992 55.803 -0.102 0.000 0.866 231 Q CB -0.074 28.604 28.738 -0.100 0.000 0.915 231 Q HN 0.401 nan 8.270 nan 0.000 0.440 232 V N 1.157 120.972 119.914 -0.165 0.000 2.324 232 V HA -0.278 3.842 4.120 0.000 0.000 0.250 232 V C 2.322 178.167 176.094 -0.415 0.000 1.060 232 V CA 1.616 63.766 62.300 -0.250 0.000 1.042 232 V CB -0.618 31.074 31.823 -0.219 0.000 0.650 232 V HN 0.279 nan 8.190 nan 0.000 0.450 233 L N -0.367 120.498 121.223 -0.596 0.000 2.056 233 L HA -0.091 4.249 4.340 0.000 0.000 0.207 233 L C 2.202 178.881 176.870 -0.318 0.000 1.078 233 L CA 1.872 56.356 54.840 -0.594 0.000 0.749 233 L CB -0.523 41.158 42.059 -0.629 0.000 0.901 233 L HN 0.146 nan 8.230 nan 0.000 0.433 234 I N -0.240 120.193 120.570 -0.228 0.000 2.252 234 I HA -0.230 3.940 4.170 0.000 0.000 0.245 234 I C 2.138 178.178 176.117 -0.127 0.000 1.102 234 I CA 1.148 62.359 61.300 -0.149 0.000 1.385 234 I CB -1.552 36.382 38.000 -0.111 0.000 1.064 234 I HN 0.272 nan 8.210 nan 0.000 0.414 235 D N 1.247 121.568 120.400 -0.133 0.000 2.117 235 D HA -0.114 4.526 4.640 0.000 0.000 0.197 235 D C 2.294 178.533 176.300 -0.102 0.000 0.987 235 D CA 1.616 55.554 54.000 -0.103 0.000 0.829 235 D CB -0.095 40.647 40.800 -0.097 0.000 0.961 235 D HN 0.302 nan 8.370 nan 0.000 0.460 236 A N 0.633 123.368 122.820 -0.141 0.000 1.933 236 A HA -0.130 4.190 4.320 0.000 0.000 0.218 236 A C 2.069 179.591 177.584 -0.102 0.000 1.175 236 A CA 0.813 52.773 52.037 -0.129 0.000 0.628 236 A CB -0.499 18.392 19.000 -0.182 0.000 0.814 236 A HN 0.133 nan 8.150 nan 0.000 0.444 237 L N -0.456 120.693 121.223 -0.124 0.000 2.017 237 L HA -0.137 4.203 4.340 0.000 0.000 0.208 237 L C 3.027 179.881 176.870 -0.026 0.000 1.073 237 L CA 2.093 56.884 54.840 -0.082 0.000 0.745 237 L CB -1.676 40.322 42.059 -0.101 0.000 0.894 237 L HN 0.437 nan 8.230 nan 0.000 0.432 238 A N -0.504 122.291 122.820 -0.041 0.000 1.883 238 A HA -0.190 4.130 4.320 0.000 0.000 0.217 238 A C 2.477 180.048 177.584 -0.021 0.000 1.186 238 A CA 2.086 54.106 52.037 -0.027 0.000 0.624 238 A CB -0.765 18.213 19.000 -0.035 0.000 0.822 238 A HN 0.427 nan 8.150 nan 0.000 0.444 239 A N -1.020 121.783 122.820 -0.028 0.000 1.930 239 A HA -0.071 4.249 4.320 0.000 0.000 0.217 239 A C 2.480 180.061 177.584 -0.005 0.000 1.175 239 A CA 2.107 54.131 52.037 -0.022 0.000 0.627 239 A CB -0.892 18.090 19.000 -0.029 0.000 0.815 239 A HN 0.602 nan 8.150 nan 0.000 0.443 240 S N -0.751 114.957 115.700 0.013 0.000 2.402 240 S HA -0.031 4.439 4.470 0.000 0.000 0.229 240 S C 1.823 176.448 174.600 0.041 0.000 1.021 240 S CA 1.345 59.575 58.200 0.050 0.000 0.974 240 S CB -0.380 62.903 63.200 0.138 0.000 0.800 240 S HN 0.488 nan 8.310 nan 0.000 0.484 241 L N 0.070 121.316 121.223 0.038 0.000 2.202 241 L HA 0.262 4.602 4.340 0.000 0.000 0.205 241 L C 2.235 179.105 176.870 -0.000 0.000 1.083 241 L CA 0.469 55.325 54.840 0.026 0.000 0.790 241 L CB -1.161 40.922 42.059 0.039 0.000 0.942 241 L HN 0.557 nan 8.230 nan 0.000 0.452 242 G N 0.882 109.673 108.800 -0.014 0.000 2.793 242 G HA2 -0.428 3.532 3.960 0.000 0.000 0.334 242 G HA3 -0.428 3.532 3.960 0.000 0.000 0.334 242 G C 0.727 175.587 174.900 -0.067 0.000 1.186 242 G CA 0.772 45.851 45.100 -0.034 0.000 0.960 242 G HN 0.301 nan 8.290 nan 0.000 0.562 243 D N 1.444 121.803 120.400 -0.067 0.000 2.289 243 D HA 0.341 4.981 4.640 0.000 0.000 0.207 243 D C 2.668 178.907 176.300 -0.101 0.000 0.966 243 D CA 1.328 55.255 54.000 -0.123 0.000 0.868 243 D CB -0.455 40.306 40.800 -0.065 0.000 0.943 243 D HN 0.644 nan 8.370 nan 0.000 0.514 244 A N 0.480 123.308 122.820 0.013 0.000 2.067 244 A HA 0.220 4.541 4.320 0.000 0.000 0.219 244 A C 1.273 178.976 177.584 0.198 0.000 1.158 244 A CA 0.951 53.057 52.037 0.115 0.000 0.661 244 A CB -0.083 18.955 19.000 0.063 0.000 0.801 244 A HN 0.179 nan 8.150 nan 0.000 0.452 245 A N 0.190 123.068 122.820 0.098 0.000 2.304 245 A HA 0.619 4.939 4.320 0.000 0.000 0.323 245 A C -0.585 177.035 177.584 0.061 0.000 1.195 245 A CA -0.504 51.614 52.037 0.134 0.000 0.826 245 A CB 0.315 19.346 19.000 0.051 0.000 1.184 245 A HN 0.521 nan 8.150 nan 0.000 0.496 246 H N 2.133 121.204 119.070 0.003 0.000 2.646 246 H HA 0.421 4.978 4.556 0.000 0.000 0.328 246 H C -0.203 175.120 175.328 -0.008 0.000 0.998 246 H CA -0.735 55.312 56.048 -0.001 0.000 1.225 246 H CB 1.660 31.422 29.762 0.001 0.000 1.457 246 H HN 0.622 nan 8.280 nan 0.000 0.505 247 V N 0.195 120.148 119.914 0.064 0.000 2.904 247 V HA 0.552 4.672 4.120 0.000 0.000 0.305 247 V C 1.213 177.313 176.094 0.008 0.000 1.067 247 V CA 0.054 62.373 62.300 0.031 0.000 1.044 247 V CB 1.043 32.872 31.823 0.010 0.000 1.050 247 V HN 1.049 nan 8.190 nan 0.000 0.475 248 G N 1.407 110.203 108.800 -0.007 0.000 2.249 248 G HA2 0.042 4.002 3.960 0.000 0.000 0.273 248 G HA3 0.042 4.002 3.960 0.000 0.000 0.273 248 G C 0.280 175.149 174.900 -0.051 0.000 1.036 248 G CA 0.388 45.461 45.100 -0.044 0.000 0.824 248 G HN 2.192 nan 8.290 nan 0.000 0.504 249 A N 0.151 122.966 122.820 -0.009 0.000 2.644 249 A HA 0.727 5.047 4.320 0.000 0.000 0.343 249 A C 0.465 178.045 177.584 -0.006 0.000 1.324 249 A CA -0.227 51.806 52.037 -0.006 0.000 0.846 249 A CB 0.360 19.371 19.000 0.019 0.000 1.128 249 A HN 0.581 nan 8.150 nan 0.000 0.484 250 R N 2.276 122.771 120.500 -0.010 0.000 2.267 250 R HA 0.437 4.777 4.340 0.000 0.000 0.319 250 R C -0.966 175.329 176.300 -0.008 0.000 1.067 250 R CA -0.167 55.929 56.100 -0.006 0.000 0.936 250 R CB 0.619 30.918 30.300 -0.001 0.000 1.006 250 R HN 0.361 nan 8.270 nan 0.000 0.452 251 V N 5.403 125.310 119.914 -0.013 0.000 2.461 251 V HA 0.088 4.208 4.120 0.000 0.000 0.275 251 V C 0.576 176.663 176.094 -0.012 0.000 1.047 251 V CA 0.244 62.536 62.300 -0.014 0.000 0.955 251 V CB 1.353 33.162 31.823 -0.022 0.000 0.988 251 V HN 0.950 nan 8.190 nan 0.000 0.471 252 E N 2.765 122.963 120.200 -0.003 0.000 2.572 252 E HA 0.318 4.668 4.350 0.000 0.000 0.220 252 E C 0.674 177.278 176.600 0.007 0.000 0.945 252 E CA 0.153 56.554 56.400 0.001 0.000 1.070 252 E CB 1.448 31.151 29.700 0.006 0.000 1.090 252 E HN 0.812 nan 8.360 nan 0.000 0.506 253 G N 1.118 109.926 108.800 0.012 0.000 2.741 253 G HA2 0.522 4.482 3.960 0.000 0.000 0.293 253 G HA3 0.522 4.482 3.960 0.000 0.000 0.293 253 G C -1.646 173.278 174.900 0.041 0.000 1.457 253 G CA -0.449 44.667 45.100 0.026 0.000 1.098 253 G HN -0.006 nan 8.290 nan 0.000 0.536 254 L N 2.094 123.351 121.223 0.056 0.000 2.343 254 L HA 0.795 5.135 4.340 0.000 0.000 0.278 254 L C -0.090 176.900 176.870 0.201 0.000 0.996 254 L CA -0.768 54.133 54.840 0.102 0.000 0.831 254 L CB 1.586 43.653 42.059 0.014 0.000 1.232 254 L HN 0.721 nan 8.230 nan 0.000 0.413 255 A N 4.184 127.171 122.820 0.280 0.000 2.475 255 A HA 0.739 5.059 4.320 0.000 0.000 0.301 255 A C -1.000 176.691 177.584 0.178 0.000 1.059 255 A CA -0.764 51.406 52.037 0.222 0.000 0.710 255 A CB 1.864 20.920 19.000 0.094 0.000 1.288 255 A HN 0.722 nan 8.150 nan 0.000 0.408 256 R N 1.000 121.432 120.500 -0.113 0.000 2.490 256 R HA 0.513 4.853 4.340 0.000 0.000 0.280 256 R C 0.267 176.362 176.300 -0.341 0.000 1.077 256 R CA 0.693 56.435 56.100 -0.598 0.000 1.065 256 R CB 0.324 30.238 30.300 -0.643 0.000 1.003 256 R HN 0.912 nan 8.270 nan 0.000 0.470 257 E N 0.888 120.849 120.200 -0.398 0.000 2.391 257 E HA 0.326 4.676 4.350 0.000 0.000 0.256 257 E C 0.135 176.596 176.600 -0.231 0.000 0.975 257 E CA -0.386 55.878 56.400 -0.227 0.000 0.881 257 E CB -0.169 29.454 29.700 -0.127 0.000 1.728 257 E HN 0.400 nan 8.360 nan 0.000 0.446 258 D N 0.373 120.687 120.400 -0.144 0.000 2.248 258 D HA -0.125 4.515 4.640 0.000 0.000 0.245 258 D C 1.411 177.639 176.300 -0.120 0.000 1.217 258 D CA 1.710 55.643 54.000 -0.113 0.000 1.039 258 D CB -1.288 39.469 40.800 -0.071 0.000 1.615 258 D HN 0.564 nan 8.370 nan 0.000 0.568 259 G N -1.092 107.658 108.800 -0.082 0.000 3.496 259 G HA2 0.531 4.491 3.960 0.000 0.000 0.273 259 G HA3 0.531 4.491 3.960 0.000 0.000 0.273 259 G C 0.550 175.413 174.900 -0.062 0.000 1.279 259 G CA 1.103 46.165 45.100 -0.063 0.000 1.041 259 G HN 1.041 nan 8.290 nan 0.000 0.539 260 G N -0.860 107.856 108.800 -0.139 0.000 2.604 260 G HA2 0.489 4.449 3.960 0.000 0.000 0.242 260 G HA3 0.489 4.449 3.960 0.000 0.000 0.242 260 G C -2.111 172.575 174.900 -0.356 0.000 1.208 260 G CA -1.024 44.010 45.100 -0.111 0.000 0.912 260 G HN 0.158 nan 8.290 nan 0.000 0.502 261 W N 0.205 121.500 121.300 -0.007 0.000 2.957 261 W HA 0.718 5.378 4.660 0.000 0.000 0.336 261 W C -0.013 176.500 176.519 -0.010 0.000 1.087 261 W CA -0.714 56.625 57.345 -0.010 0.000 1.235 261 W CB 2.212 31.666 29.460 -0.009 0.000 1.399 261 W HN 0.430 nan 8.180 nan 0.000 0.480 262 R N 3.786 124.420 120.500 0.223 0.000 2.310 262 R HA 0.572 4.912 4.340 0.000 0.000 0.324 262 R C -0.939 175.436 176.300 0.125 0.000 0.955 262 R CA -0.496 55.680 56.100 0.126 0.000 0.830 262 R CB 0.634 30.972 30.300 0.063 0.000 1.154 262 R HN 0.594 nan 8.270 nan 0.000 0.458 263 L N 5.788 127.063 121.223 0.087 0.000 2.334 263 L HA 0.430 4.770 4.340 0.000 0.000 0.277 263 L C -0.055 176.835 176.870 0.034 0.000 1.075 263 L CA -0.632 54.241 54.840 0.054 0.000 0.804 263 L CB 1.544 43.619 42.059 0.026 0.000 1.174 263 L HN 0.553 nan 8.230 nan 0.000 0.438 264 I N 4.415 125.002 120.570 0.028 0.000 2.328 264 I HA 0.357 4.527 4.170 0.000 0.000 0.287 264 I C -0.381 175.742 176.117 0.010 0.000 1.012 264 I CA -0.091 61.221 61.300 0.020 0.000 1.195 264 I CB 1.053 39.067 38.000 0.023 0.000 1.350 264 I HN 0.399 nan 8.210 nan 0.000 0.464 265 I N 5.671 126.245 120.570 0.007 0.000 2.474 265 I HA 0.303 4.473 4.170 0.000 0.000 0.294 265 I C 0.005 176.127 176.117 0.009 0.000 1.005 265 I CA -0.593 60.707 61.300 -0.000 0.000 1.113 265 I CB 1.919 39.911 38.000 -0.014 0.000 1.289 265 I HN 0.547 nan 8.210 nan 0.000 0.436 266 E N 6.131 126.335 120.200 0.006 0.000 2.035 266 E HA 0.251 4.601 4.350 0.000 0.000 0.271 266 E C -0.915 175.683 176.600 -0.002 0.000 0.953 266 E CA -0.353 56.055 56.400 0.012 0.000 0.777 266 E CB 0.753 30.461 29.700 0.012 0.000 1.104 266 E HN 0.494 nan 8.360 nan 0.000 0.408 267 E N 3.881 124.089 120.200 0.014 0.000 2.129 267 E HA 0.182 4.532 4.350 0.000 0.000 0.268 267 E C -0.201 176.421 176.600 0.037 0.000 0.900 267 E CA -0.539 55.839 56.400 -0.037 0.000 0.755 267 E CB 0.683 30.402 29.700 0.031 0.000 1.117 267 E HN 0.692 nan 8.360 nan 0.000 0.410 268 H N 1.933 121.020 119.070 0.029 0.000 5.008 268 H HA -0.245 4.311 4.556 0.000 0.000 0.076 268 H C 0.843 176.183 175.328 0.020 0.000 0.562 268 H CA 1.455 57.518 56.048 0.024 0.000 1.089 268 H CB -0.990 28.786 29.762 0.023 0.000 0.500 268 H HN 0.907 nan 8.280 nan 0.000 0.725 269 G N 2.532 111.412 108.800 0.133 0.000 2.545 269 G HA2 -0.271 3.689 3.960 0.000 0.000 0.279 269 G HA3 -0.271 3.689 3.960 0.000 0.000 0.279 269 G C 0.370 175.311 174.900 0.069 0.000 1.131 269 G CA 0.685 45.830 45.100 0.075 0.000 1.100 269 G HN 0.850 nan 8.290 nan 0.000 0.525 270 R N -0.255 120.286 120.500 0.068 0.000 2.905 270 R HA 0.464 4.804 4.340 0.000 0.000 0.273 270 R C 0.351 176.683 176.300 0.053 0.000 1.033 270 R CA -0.025 56.106 56.100 0.051 0.000 1.182 270 R CB 0.764 31.089 30.300 0.043 0.000 1.097 270 R HN 0.448 nan 8.270 nan 0.000 0.504 271 R N -0.558 119.966 120.500 0.039 0.000 2.782 271 R HA 0.702 5.042 4.340 0.000 0.000 0.258 271 R C -0.696 175.623 176.300 0.033 0.000 1.055 271 R CA -0.736 55.385 56.100 0.034 0.000 1.065 271 R CB 1.996 32.312 30.300 0.025 0.000 1.172 271 R HN 0.792 nan 8.270 nan 0.000 0.510 272 A N 0.798 123.635 122.820 0.028 0.000 2.569 272 A HA 0.518 4.838 4.320 0.000 0.000 0.290 272 A C -1.387 176.206 177.584 0.016 0.000 1.136 272 A CA -0.760 51.291 52.037 0.024 0.000 0.710 272 A CB 1.826 20.843 19.000 0.029 0.000 1.303 272 A HN 0.690 nan 8.150 nan 0.000 0.413 273 E N -0.062 120.146 120.200 0.014 0.000 2.222 273 E HA 0.606 4.956 4.350 0.000 0.000 0.267 273 E C -1.659 174.947 176.600 0.010 0.000 0.884 273 E CA -0.460 55.949 56.400 0.014 0.000 0.764 273 E CB 2.597 32.307 29.700 0.017 0.000 1.169 273 E HN 0.498 nan 8.360 nan 0.000 0.413 274 L N 1.437 122.667 121.223 0.011 0.000 2.386 274 L HA 0.466 4.807 4.340 0.000 0.000 0.271 274 L C -1.022 175.865 176.870 0.028 0.000 0.993 274 L CA -0.422 54.423 54.840 0.008 0.000 0.819 274 L CB 2.050 44.100 42.059 -0.015 0.000 1.294 274 L HN 0.454 nan 8.230 nan 0.000 0.414 275 S N 2.996 118.713 115.700 0.028 0.000 2.449 275 S HA 0.749 5.220 4.470 0.000 0.000 0.310 275 S C -0.765 173.866 174.600 0.052 0.000 1.096 275 S CA -0.584 57.642 58.200 0.044 0.000 1.095 275 S CB 1.535 64.752 63.200 0.028 0.000 1.007 275 S HN 0.430 nan 8.310 nan 0.000 0.474 276 V N 0.377 120.344 119.914 0.087 0.000 3.130 276 V HA 0.885 5.005 4.120 0.000 0.000 0.310 276 V C 0.720 176.899 176.094 0.140 0.000 1.158 276 V CA -0.837 61.519 62.300 0.093 0.000 1.029 276 V CB 1.153 33.026 31.823 0.082 0.000 1.057 276 V HN 0.744 nan 8.190 nan 0.000 0.436 277 A N 0.559 123.452 122.820 0.122 0.000 1.930 277 A HA 0.214 4.534 4.320 0.000 0.000 0.215 277 A C 0.944 178.682 177.584 0.257 0.000 1.176 277 A CA 1.042 53.168 52.037 0.148 0.000 0.632 277 A CB -0.246 18.811 19.000 0.096 0.000 0.819 277 A HN 0.902 nan 8.150 nan 0.000 0.445 278 Q N -0.893 119.025 119.800 0.198 0.000 2.359 278 Q HA 0.574 4.914 4.340 0.000 0.000 0.274 278 Q C -1.893 174.141 176.000 0.056 0.000 1.074 278 Q CA -0.579 55.329 55.803 0.176 0.000 0.810 278 Q CB 2.868 31.708 28.738 0.170 0.000 1.342 278 Q HN 0.088 nan 8.270 nan 0.000 0.427 279 V N 2.156 122.016 119.914 -0.090 0.000 2.495 279 V HA 0.425 4.546 4.120 0.000 0.000 0.298 279 V C -0.569 175.465 176.094 -0.101 0.000 1.031 279 V CA -0.707 61.501 62.300 -0.153 0.000 0.871 279 V CB 1.942 33.562 31.823 -0.338 0.000 0.988 279 V HN 0.523 nan 8.190 nan 0.000 0.432 280 V N 6.484 126.369 119.914 -0.048 0.000 2.357 280 V HA 0.417 4.537 4.120 0.000 0.000 0.284 280 V C -0.129 175.941 176.094 -0.040 0.000 1.018 280 V CA -0.454 61.834 62.300 -0.020 0.000 0.841 280 V CB 1.506 33.325 31.823 -0.006 0.000 0.991 280 V HN 0.638 nan 8.190 nan 0.000 0.437 281 L N 4.579 125.772 121.223 -0.051 0.000 2.261 281 L HA 0.504 4.844 4.340 0.000 0.000 0.289 281 L C 1.040 177.928 176.870 0.029 0.000 1.059 281 L CA -0.046 54.775 54.840 -0.031 0.000 0.816 281 L CB 1.149 43.175 42.059 -0.056 0.000 1.191 281 L HN 0.753 nan 8.230 nan 0.000 0.431 282 A N 2.847 125.687 122.820 0.033 0.000 2.470 282 A HA 0.576 4.896 4.320 0.000 0.000 0.251 282 A C 0.972 178.593 177.584 0.061 0.000 1.245 282 A CA 0.046 52.121 52.037 0.063 0.000 0.932 282 A CB 0.182 19.206 19.000 0.039 0.000 1.037 282 A HN 0.667 nan 8.150 nan 0.000 0.522 283 A N 0.983 123.827 122.820 0.041 0.000 2.346 283 A HA 0.600 4.921 4.320 0.000 0.000 0.252 283 A C -2.319 175.282 177.584 0.029 0.000 1.089 283 A CA -1.141 50.903 52.037 0.013 0.000 0.797 283 A CB -0.381 18.596 19.000 -0.039 0.000 1.047 283 A HN 0.237 nan 8.150 nan 0.000 0.494 284 P HA 0.193 nan 4.420 nan 0.000 0.270 284 P C 0.857 178.147 177.300 -0.017 0.000 1.227 284 P CA 0.618 63.737 63.100 0.031 0.000 0.788 284 P CB 0.469 32.181 31.700 0.020 0.000 0.926 285 A N 1.719 124.569 122.820 0.050 0.000 1.892 285 A HA -0.265 4.055 4.320 0.000 0.000 0.218 285 A C 2.086 179.684 177.584 0.025 0.000 1.188 285 A CA 2.096 54.179 52.037 0.076 0.000 0.631 285 A CB -1.891 17.235 19.000 0.210 0.000 0.822 285 A HN 0.825 nan 8.150 nan 0.000 0.447 286 H N -0.776 118.233 119.070 -0.101 0.000 2.387 286 H HA 0.073 4.629 4.556 0.000 0.000 0.299 286 H C 2.066 177.371 175.328 -0.038 0.000 1.090 286 H CA 1.704 57.708 56.048 -0.073 0.000 1.332 286 H CB -0.771 28.915 29.762 -0.126 0.000 1.386 286 H HN 0.383 nan 8.280 nan 0.000 0.516 287 A N 0.993 123.242 122.820 -0.952 0.000 1.929 287 A HA -0.086 4.234 4.320 0.000 0.000 0.216 287 A C 2.586 180.024 177.584 -0.244 0.000 1.176 287 A CA 1.735 53.388 52.037 -0.640 0.000 0.628 287 A CB -0.933 17.724 19.000 -0.573 0.000 0.816 287 A HN 0.530 nan 8.150 nan 0.000 0.444 288 T N 0.138 114.604 114.554 -0.147 0.000 2.777 288 T HA 0.051 4.401 4.350 0.000 0.000 0.266 288 T C 2.232 176.914 174.700 -0.030 0.000 1.040 288 T CA 1.338 63.411 62.100 -0.045 0.000 1.141 288 T CB -0.353 68.548 68.868 0.055 0.000 0.868 288 T HN 0.561 nan 8.240 nan 0.000 0.444 289 A N 1.682 124.492 122.820 -0.016 0.000 1.902 289 A HA -0.117 4.203 4.320 0.000 0.000 0.217 289 A C 2.206 179.787 177.584 -0.005 0.000 1.181 289 A CA 1.899 53.941 52.037 0.008 0.000 0.623 289 A CB -0.540 18.481 19.000 0.036 0.000 0.818 289 A HN 0.463 nan 8.150 nan 0.000 0.443 290 K N -0.358 120.028 120.400 -0.025 0.000 2.103 290 K HA -0.100 4.220 4.320 0.000 0.000 0.207 290 K C 1.749 178.340 176.600 -0.014 0.000 1.048 290 K CA 1.509 57.787 56.287 -0.015 0.000 0.930 290 K CB -0.290 32.193 32.500 -0.028 0.000 0.716 290 K HN 0.510 nan 8.250 nan 0.000 0.444 291 L N 0.543 121.748 121.223 -0.030 0.000 2.240 291 L HA -0.085 4.255 4.340 0.000 0.000 0.211 291 L C 2.095 178.955 176.870 -0.018 0.000 1.106 291 L CA 0.523 55.348 54.840 -0.026 0.000 0.793 291 L CB -0.138 41.894 42.059 -0.046 0.000 0.927 291 L HN 0.170 nan 8.230 nan 0.000 0.446 292 L N -1.113 120.098 121.223 -0.021 0.000 2.313 292 L HA -0.036 4.304 4.340 0.000 0.000 0.214 292 L C 2.717 179.592 176.870 0.009 0.000 1.119 292 L CA 0.234 55.066 54.840 -0.014 0.000 0.809 292 L CB -0.428 41.617 42.059 -0.023 0.000 0.933 292 L HN 0.194 nan 8.230 nan 0.000 0.449 293 R N 0.890 121.396 120.500 0.011 0.000 2.112 293 R HA -0.176 4.164 4.340 0.000 0.000 0.242 293 R C -0.415 175.900 176.300 0.024 0.000 1.137 293 R CA 1.904 58.015 56.100 0.018 0.000 0.944 293 R CB -1.852 28.458 30.300 0.017 0.000 0.857 293 R HN 0.364 nan 8.270 nan 0.000 0.435 294 P HA -0.027 nan 4.420 nan 0.000 0.237 294 P C 1.254 178.582 177.300 0.048 0.000 1.178 294 P CA 0.963 64.083 63.100 0.035 0.000 0.766 294 P CB 0.025 31.747 31.700 0.036 0.000 0.876 295 L N -1.093 120.165 121.223 0.058 0.000 2.200 295 L HA 0.258 4.598 4.340 0.000 0.000 0.200 295 L C 0.877 177.781 176.870 0.057 0.000 1.072 295 L CA 0.817 55.707 54.840 0.083 0.000 0.787 295 L CB -0.055 42.078 42.059 0.124 0.000 0.957 295 L HN -0.078 nan 8.230 nan 0.000 0.459 296 D N -0.857 119.565 120.400 0.037 0.000 2.470 296 D HA 0.044 4.684 4.640 0.000 0.000 0.233 296 D C -0.360 175.950 176.300 0.017 0.000 1.372 296 D CA -0.159 53.855 54.000 0.024 0.000 0.994 296 D CB 1.807 42.619 40.800 0.019 0.000 1.377 296 D HN 0.010 nan 8.370 nan 0.000 0.586 297 D N 2.334 122.744 120.400 0.016 0.000 2.178 297 D HA -0.072 4.568 4.640 0.000 0.000 0.202 297 D C 1.787 178.095 176.300 0.014 0.000 0.974 297 D CA 1.544 55.553 54.000 0.015 0.000 0.841 297 D CB 0.538 41.346 40.800 0.015 0.000 0.953 297 D HN 0.398 nan 8.370 nan 0.000 0.478 298 A N 0.144 122.970 122.820 0.010 0.000 1.898 298 A HA -0.020 4.300 4.320 0.000 0.000 0.214 298 A C 2.234 179.822 177.584 0.006 0.000 1.183 298 A CA 0.558 52.600 52.037 0.008 0.000 0.622 298 A CB -0.818 18.184 19.000 0.005 0.000 0.824 298 A HN 0.384 nan 8.150 nan 0.000 0.444 299 L N -0.463 120.761 121.223 0.002 0.000 2.012 299 L HA -0.222 4.118 4.340 0.000 0.000 0.210 299 L C 2.906 179.781 176.870 0.008 0.000 1.073 299 L CA 1.583 56.421 54.840 -0.004 0.000 0.748 299 L CB -0.456 41.595 42.059 -0.014 0.000 0.891 299 L HN 0.435 nan 8.230 nan 0.000 0.431 300 A N -0.314 122.513 122.820 0.012 0.000 1.908 300 A HA -0.222 4.098 4.320 0.000 0.000 0.218 300 A C 2.415 180.018 177.584 0.032 0.000 1.181 300 A CA 1.814 53.864 52.037 0.021 0.000 0.627 300 A CB -0.813 18.198 19.000 0.018 0.000 0.818 300 A HN 0.577 nan 8.150 nan 0.000 0.445 301 A N -0.398 122.438 122.820 0.027 0.000 1.933 301 A HA -0.014 4.306 4.320 0.000 0.000 0.218 301 A C 2.166 179.772 177.584 0.036 0.000 1.175 301 A CA 1.465 53.520 52.037 0.031 0.000 0.628 301 A CB -0.558 18.456 19.000 0.023 0.000 0.814 301 A HN 0.479 nan 8.150 nan 0.000 0.444 302 L N -0.660 120.580 121.223 0.030 0.000 2.056 302 L HA -0.149 4.191 4.340 0.000 0.000 0.207 302 L C 2.503 179.407 176.870 0.056 0.000 1.078 302 L CA 1.086 55.944 54.840 0.029 0.000 0.749 302 L CB -0.533 41.531 42.059 0.009 0.000 0.901 302 L HN 0.243 nan 8.230 nan 0.000 0.433 303 V N -0.036 119.924 119.914 0.076 0.000 2.358 303 V HA -0.221 3.899 4.120 0.000 0.000 0.246 303 V C 2.710 178.878 176.094 0.123 0.000 1.047 303 V CA 1.631 64.011 62.300 0.133 0.000 1.035 303 V CB -0.857 31.058 31.823 0.154 0.000 0.658 303 V HN 0.462 nan 8.190 nan 0.000 0.452 304 A N 0.674 123.550 122.820 0.093 0.000 2.019 304 A HA -0.070 4.250 4.320 0.000 0.000 0.219 304 A C 2.297 179.941 177.584 0.100 0.000 1.164 304 A CA 1.674 53.767 52.037 0.093 0.000 0.644 304 A CB -0.947 18.095 19.000 0.069 0.000 0.805 304 A HN 0.551 nan 8.150 nan 0.000 0.449 305 G N -0.490 108.364 108.800 0.089 0.000 2.598 305 G HA2 0.131 4.091 3.960 0.000 0.000 0.215 305 G HA3 0.131 4.091 3.960 0.000 0.000 0.215 305 G C 0.619 175.589 174.900 0.115 0.000 1.131 305 G CA 0.015 45.166 45.100 0.086 0.000 0.785 305 G HN 0.487 nan 8.290 nan 0.000 0.539 306 I N 2.148 122.808 120.570 0.149 0.000 2.494 306 I HA 0.249 4.419 4.170 0.000 0.000 0.289 306 I C 0.996 177.269 176.117 0.260 0.000 1.106 306 I CA -0.613 60.802 61.300 0.192 0.000 1.369 306 I CB 0.712 38.831 38.000 0.197 0.000 1.410 306 I HN 0.062 nan 8.210 nan 0.000 0.523 307 A N 7.116 130.049 122.820 0.190 0.000 2.386 307 A HA 0.470 4.790 4.320 0.000 0.000 0.248 307 A C -0.992 176.727 177.584 0.225 0.000 1.082 307 A CA 0.101 52.259 52.037 0.202 0.000 0.789 307 A CB 0.240 19.307 19.000 0.111 0.000 1.025 307 A HN 0.581 nan 8.150 nan 0.000 0.490 308 Y N -0.358 119.964 120.300 0.037 0.000 2.391 308 Y HA 0.528 5.078 4.550 0.000 0.000 0.341 308 Y C 0.431 176.347 175.900 0.027 0.000 0.965 308 Y CA -0.394 57.724 58.100 0.030 0.000 1.067 308 Y CB 2.065 40.541 38.460 0.027 0.000 1.199 308 Y HN 0.837 nan 8.280 nan 0.000 0.450 309 A N 5.995 128.883 122.820 0.113 0.000 2.276 309 A HA 0.659 4.979 4.320 0.000 0.000 0.300 309 A C -2.736 174.917 177.584 0.115 0.000 1.235 309 A CA -1.787 50.303 52.037 0.089 0.000 0.867 309 A CB 0.018 19.044 19.000 0.043 0.000 1.137 309 A HN 0.417 nan 8.150 nan 0.000 0.527 310 P HA 0.396 nan 4.420 nan 0.000 0.269 310 P C -0.578 176.796 177.300 0.123 0.000 1.209 310 P CA 0.162 63.339 63.100 0.128 0.000 0.776 310 P CB 0.667 32.422 31.700 0.092 0.000 0.876 311 I N 0.809 121.486 120.570 0.178 0.000 2.692 311 I HA 0.656 4.826 4.170 0.000 0.000 0.293 311 I C -1.617 174.643 176.117 0.237 0.000 1.200 311 I CA -0.846 60.558 61.300 0.174 0.000 1.036 311 I CB 1.755 39.841 38.000 0.143 0.000 1.258 311 I HN 0.346 nan 8.210 nan 0.000 0.421 312 A N 6.466 129.373 122.820 0.144 0.000 2.343 312 A HA 0.682 5.002 4.320 0.000 0.000 0.308 312 A C -1.511 176.122 177.584 0.082 0.000 1.092 312 A CA -0.562 51.540 52.037 0.108 0.000 0.751 312 A CB 1.749 20.763 19.000 0.024 0.000 1.203 312 A HN 0.642 nan 8.150 nan 0.000 0.452 313 V N 4.276 124.259 119.914 0.116 0.000 2.370 313 V HA 0.611 4.731 4.120 0.000 0.000 0.279 313 V C -0.840 175.195 176.094 -0.098 0.000 1.029 313 V CA -0.265 62.042 62.300 0.013 0.000 0.870 313 V CB 1.224 33.091 31.823 0.075 0.000 0.984 313 V HN 0.663 nan 8.190 nan 0.000 0.451 314 V N 7.917 127.724 119.914 -0.178 0.000 2.347 314 V HA 0.491 4.611 4.120 0.000 0.000 0.280 314 V C -0.130 175.822 176.094 -0.236 0.000 1.021 314 V CA -0.645 61.547 62.300 -0.180 0.000 0.847 314 V CB 1.081 32.831 31.823 -0.121 0.000 0.990 314 V HN 0.871 nan 8.190 nan 0.000 0.444 315 H N 5.894 124.931 119.070 -0.055 0.000 2.562 315 H HA 0.525 5.081 4.556 0.000 0.000 0.314 315 H C -0.643 174.568 175.328 -0.195 0.000 1.079 315 H CA -0.253 55.767 56.048 -0.046 0.000 1.349 315 H CB 1.702 31.489 29.762 0.041 0.000 1.432 315 H HN 0.432 nan 8.280 nan 0.000 0.479 316 L N 2.620 123.858 121.223 0.025 0.000 2.349 316 L HA 0.435 4.776 4.340 0.000 0.000 0.278 316 L C 0.737 177.538 176.870 -0.115 0.000 0.996 316 L CA -0.818 53.944 54.840 -0.129 0.000 0.825 316 L CB 2.053 44.078 42.059 -0.057 0.000 1.243 316 L HN 0.614 nan 8.230 nan 0.000 0.412 317 G N 2.170 110.808 108.800 -0.270 0.000 2.388 317 G HA2 0.755 4.715 3.960 0.000 0.000 0.330 317 G HA3 0.755 4.715 3.960 0.000 0.000 0.330 317 G C -1.333 173.406 174.900 -0.268 0.000 1.142 317 G CA -0.249 44.778 45.100 -0.122 0.000 0.908 317 G HN 0.279 nan 8.290 nan 0.000 0.473 318 F N 0.122 120.266 119.950 0.324 0.000 2.565 318 F HA 0.338 4.865 4.527 0.000 0.000 0.313 318 F C 0.043 175.979 175.800 0.227 0.000 1.091 318 F CA -0.990 57.154 58.000 0.239 0.000 0.915 318 F CB 2.175 41.293 39.000 0.196 0.000 1.208 318 F HN 0.259 nan 8.300 nan 0.000 0.453 319 D N 0.775 121.371 120.400 0.326 0.000 2.361 319 D HA 0.239 4.879 4.640 0.000 0.000 0.239 319 D C 1.125 177.531 176.300 0.175 0.000 1.200 319 D CA 0.349 54.470 54.000 0.202 0.000 0.915 319 D CB 1.003 41.888 40.800 0.141 0.000 1.170 319 D HN 0.635 nan 8.370 nan 0.000 0.444 320 A N 1.152 124.038 122.820 0.110 0.000 1.903 320 A HA -0.120 4.200 4.320 0.000 0.000 0.219 320 A C 1.727 179.355 177.584 0.074 0.000 1.191 320 A CA 2.251 54.337 52.037 0.083 0.000 0.638 320 A CB -0.631 18.399 19.000 0.049 0.000 0.823 320 A HN 0.591 nan 8.150 nan 0.000 0.451 321 G N -2.034 106.807 108.800 0.067 0.000 3.519 321 G HA2 0.257 4.217 3.960 0.000 0.000 0.269 321 G HA3 0.257 4.217 3.960 0.000 0.000 0.269 321 G C 1.078 176.007 174.900 0.049 0.000 1.028 321 G CA 1.075 46.204 45.100 0.048 0.000 0.809 321 G HN 0.596 nan 8.290 nan 0.000 0.521 322 T N -0.772 113.829 114.554 0.077 0.000 2.995 322 T HA 0.230 4.580 4.350 0.000 0.000 0.269 322 T C 0.865 175.581 174.700 0.027 0.000 1.091 322 T CA 0.904 63.051 62.100 0.077 0.000 1.128 322 T CB -0.237 68.721 68.868 0.150 0.000 0.891 322 T HN 0.586 nan 8.240 nan 0.000 0.492 323 L N -2.259 118.965 121.223 0.001 0.000 2.622 323 L HA 0.779 5.119 4.340 0.000 0.000 0.258 323 L C -3.319 173.525 176.870 -0.044 0.000 0.996 323 L CA -2.423 52.380 54.840 -0.062 0.000 0.858 323 L CB 0.979 42.925 42.059 -0.187 0.000 1.449 323 L HN -0.314 nan 8.230 nan 0.000 0.411 324 P HA 0.380 nan 4.420 nan 0.000 0.275 324 P C -0.624 176.640 177.300 -0.061 0.000 1.228 324 P CA -0.227 62.845 63.100 -0.048 0.000 0.786 324 P CB 1.081 32.748 31.700 -0.055 0.000 0.927 325 A N 4.287 127.074 122.820 -0.055 0.000 2.524 325 A HA 0.337 4.657 4.320 0.000 0.000 0.250 325 A C -1.705 175.790 177.584 -0.148 0.000 1.078 325 A CA -0.819 51.166 52.037 -0.087 0.000 0.761 325 A CB -1.158 17.809 19.000 -0.056 0.000 1.012 325 A HN 0.440 nan 8.150 nan 0.000 0.500 326 P HA 0.163 nan 4.420 nan 0.000 0.271 326 P C -0.697 176.411 177.300 -0.321 0.000 1.218 326 P CA -0.141 62.697 63.100 -0.437 0.000 0.780 326 P CB 0.684 31.775 31.700 -1.014 0.000 0.901 327 D N 0.666 120.961 120.400 -0.175 0.000 2.302 327 D HA 0.460 5.100 4.640 0.000 0.000 0.248 327 D C 0.574 177.058 176.300 0.307 0.000 1.094 327 D CA 0.863 54.899 54.000 0.060 0.000 0.897 327 D CB 0.415 41.293 40.800 0.131 0.000 1.200 327 D HN 0.727 nan 8.370 nan 0.000 0.429 328 G N 2.135 111.128 108.800 0.322 0.000 2.829 328 G HA2 -0.301 3.659 3.960 0.000 0.000 0.628 328 G HA3 -0.301 3.659 3.960 0.000 0.000 0.628 328 G C 0.273 175.420 174.900 0.412 0.000 1.412 328 G CA -0.202 45.131 45.100 0.387 0.000 0.864 328 G HN 0.529 nan 8.290 nan 0.000 0.544 329 F N 1.651 121.664 119.950 0.105 0.000 2.171 329 F HA 0.338 4.865 4.527 0.000 0.000 0.300 329 F C 1.686 177.383 175.800 -0.170 0.000 1.090 329 F CA 2.952 60.929 58.000 -0.039 0.000 1.293 329 F CB -0.267 38.684 39.000 -0.083 0.000 1.013 329 F HN 1.827 nan 8.300 nan 0.000 0.486 330 G N -1.571 106.998 108.800 -0.384 0.000 2.343 330 G HA2 0.344 4.304 3.960 0.000 0.000 0.289 330 G HA3 0.344 4.304 3.960 0.000 0.000 0.289 330 G C -1.714 173.077 174.900 -0.181 0.000 1.295 330 G CA -0.467 44.083 45.100 -0.916 0.000 0.869 330 G HN 0.539 nan 8.290 nan 0.000 0.522 331 F N -1.216 118.588 119.950 -0.244 0.000 2.620 331 F HA 0.937 5.464 4.527 0.000 0.000 0.320 331 F C -1.051 174.748 175.800 -0.002 0.000 1.069 331 F CA -1.498 56.510 58.000 0.015 0.000 0.953 331 F CB 1.656 40.730 39.000 0.123 0.000 1.322 331 F HN 0.507 nan 8.300 nan 0.000 0.479 332 L N 2.317 123.700 121.223 0.268 0.000 2.371 332 L HA 0.794 5.134 4.340 0.000 0.000 0.262 332 L C -1.175 175.875 176.870 0.301 0.000 1.006 332 L CA -1.402 53.531 54.840 0.156 0.000 0.818 332 L CB 2.271 44.392 42.059 0.104 0.000 1.354 332 L HN 0.770 nan 8.230 nan 0.000 0.415 333 V N 2.834 122.880 119.914 0.219 0.000 2.483 333 V HA 0.605 4.725 4.120 0.000 0.000 0.297 333 V C -2.452 173.737 176.094 0.158 0.000 1.027 333 V CA -1.936 60.506 62.300 0.236 0.000 0.855 333 V CB 2.036 33.994 31.823 0.226 0.000 0.995 333 V HN 0.511 nan 8.190 nan 0.000 0.424 334 P HA 0.255 nan 4.420 nan 0.000 0.269 334 P C 0.673 178.036 177.300 0.104 0.000 1.215 334 P CA 0.383 63.555 63.100 0.119 0.000 0.780 334 P CB 0.992 32.761 31.700 0.116 0.000 0.898 335 A N 2.748 125.617 122.820 0.082 0.000 1.972 335 A HA -0.219 4.101 4.320 0.000 0.000 0.219 335 A C 1.846 179.471 177.584 0.069 0.000 1.169 335 A CA 1.830 53.908 52.037 0.068 0.000 0.635 335 A CB -1.160 17.875 19.000 0.057 0.000 0.810 335 A HN 0.747 nan 8.150 nan 0.000 0.446 336 E N -0.354 119.891 120.200 0.075 0.000 2.333 336 E HA -0.180 4.170 4.350 0.000 0.000 0.198 336 E C 1.139 177.787 176.600 0.080 0.000 1.007 336 E CA 1.105 57.547 56.400 0.071 0.000 0.845 336 E CB -0.192 29.550 29.700 0.070 0.000 0.766 336 E HN 0.513 nan 8.360 nan 0.000 0.507 337 E N 0.874 121.136 120.200 0.104 0.000 2.358 337 E HA -0.105 4.245 4.350 0.000 0.000 0.195 337 E C 0.129 176.785 176.600 0.093 0.000 1.010 337 E CA 0.417 56.896 56.400 0.131 0.000 0.856 337 E CB -0.065 29.765 29.700 0.217 0.000 0.795 337 E HN 0.396 nan 8.360 nan 0.000 0.504 338 Q N 0.608 120.450 119.800 0.070 0.000 2.463 338 Q HA -0.187 4.154 4.340 0.000 0.000 0.299 338 Q C -0.393 175.626 176.000 0.032 0.000 1.353 338 Q CA 0.520 56.351 55.803 0.047 0.000 0.828 338 Q CB -0.560 28.203 28.738 0.042 0.000 1.157 338 Q HN -0.025 nan 8.270 nan 0.000 0.436 339 R N -0.316 120.201 120.500 0.028 0.000 2.674 339 R HA 0.395 4.735 4.340 0.000 0.000 0.266 339 R C 0.961 177.263 176.300 0.004 0.000 1.016 339 R CA -0.759 55.342 56.100 0.001 0.000 1.062 339 R CB 0.461 30.743 30.300 -0.030 0.000 1.142 339 R HN 0.221 nan 8.270 nan 0.000 0.517 340 R N 0.016 120.511 120.500 -0.008 0.000 2.317 340 R HA 0.261 4.601 4.340 0.000 0.000 0.208 340 R C 0.359 176.656 176.300 -0.006 0.000 0.914 340 R CA 0.264 56.361 56.100 -0.005 0.000 1.060 340 R CB 0.333 30.626 30.300 -0.011 0.000 1.015 340 R HN 0.323 nan 8.270 nan 0.000 0.498 341 M N 0.288 119.886 119.600 -0.004 0.000 2.465 341 M HA 0.160 4.640 4.480 0.000 0.000 0.316 341 M C -0.279 176.023 176.300 0.003 0.000 1.121 341 M CA -0.615 54.681 55.300 -0.006 0.000 0.934 341 M CB 1.614 34.212 32.600 -0.003 0.000 1.692 341 M HN -0.092 nan 8.290 nan 0.000 0.444 342 L N 2.373 123.585 121.223 -0.018 0.000 2.209 342 L HA 0.495 4.835 4.340 0.000 0.000 0.207 342 L C 0.971 177.811 176.870 -0.050 0.000 1.094 342 L CA 1.159 55.990 54.840 -0.015 0.000 0.790 342 L CB -0.537 41.510 42.059 -0.020 0.000 0.932 342 L HN 0.909 nan 8.230 nan 0.000 0.447 343 G N -2.295 106.412 108.800 -0.156 0.000 2.341 343 G HA2 0.531 4.491 3.960 0.000 0.000 0.293 343 G HA3 0.531 4.491 3.960 0.000 0.000 0.293 343 G C -1.998 172.547 174.900 -0.592 0.000 1.298 343 G CA -0.169 44.680 45.100 -0.419 0.000 0.868 343 G HN 0.305 nan 8.290 nan 0.000 0.540 344 A N -0.799 121.441 122.820 -0.966 0.000 2.549 344 A HA 0.812 5.132 4.320 0.000 0.000 0.297 344 A C -1.017 176.167 177.584 -0.666 0.000 1.061 344 A CA -0.556 51.086 52.037 -0.658 0.000 0.690 344 A CB 1.270 19.977 19.000 -0.487 0.000 1.287 344 A HN 1.063 nan 8.150 nan 0.000 0.402 345 I N 1.704 121.994 120.570 -0.466 0.000 2.336 345 I HA 0.247 4.417 4.170 0.000 0.000 0.292 345 I C -0.336 175.550 176.117 -0.385 0.000 0.991 345 I CA -0.439 60.496 61.300 -0.608 0.000 1.227 345 I CB 1.345 39.066 38.000 -0.465 0.000 1.366 345 I HN 0.723 nan 8.210 nan 0.000 0.466 346 H N 5.805 124.656 119.070 -0.366 0.000 3.092 346 H HA 0.211 4.767 4.556 0.000 0.000 0.263 346 H C 1.075 176.273 175.328 -0.216 0.000 1.611 346 H CA -0.391 55.456 56.048 -0.335 0.000 1.457 346 H CB 0.566 30.163 29.762 -0.274 0.000 1.731 346 H HN 0.829 nan 8.280 nan 0.000 0.532 347 A N 2.368 125.168 122.820 -0.033 0.000 1.902 347 A HA -0.214 4.106 4.320 0.000 0.000 0.217 347 A C 2.423 180.029 177.584 0.036 0.000 1.181 347 A CA 1.677 53.751 52.037 0.062 0.000 0.623 347 A CB -0.501 18.594 19.000 0.159 0.000 0.818 347 A HN 0.665 nan 8.150 nan 0.000 0.443 348 S N -1.159 114.555 115.700 0.023 0.000 2.387 348 S HA -0.116 4.354 4.470 0.000 0.000 0.226 348 S C 1.821 176.393 174.600 -0.046 0.000 1.026 348 S CA 1.726 59.935 58.200 0.015 0.000 0.972 348 S CB -1.055 62.190 63.200 0.076 0.000 0.814 348 S HN 0.455 nan 8.310 nan 0.000 0.477 349 T N 2.338 116.855 114.554 -0.061 0.000 2.821 349 T HA -0.049 4.301 4.350 0.000 0.000 0.267 349 T C 1.928 176.564 174.700 -0.107 0.000 1.046 349 T CA 1.907 63.970 62.100 -0.061 0.000 1.139 349 T CB -0.789 68.054 68.868 -0.041 0.000 0.871 349 T HN 0.603 nan 8.240 nan 0.000 0.454 350 T N 0.953 115.390 114.554 -0.195 0.000 2.809 350 T HA 0.113 4.463 4.350 0.000 0.000 0.260 350 T C 0.290 174.537 174.700 -0.756 0.000 1.039 350 T CA 0.774 62.577 62.100 -0.495 0.000 1.141 350 T CB -0.185 68.317 68.868 -0.609 0.000 0.869 350 T HN 0.357 nan 8.240 nan 0.000 0.437 351 F N 0.777 120.620 119.950 -0.179 0.000 2.646 351 F HA 0.377 4.904 4.527 0.000 0.000 0.364 351 F C -2.273 173.174 175.800 -0.588 0.000 1.137 351 F CA -2.510 55.142 58.000 -0.579 0.000 1.085 351 F CB 1.858 40.372 39.000 -0.811 0.000 1.331 351 F HN -0.092 nan 8.300 nan 0.000 0.472 352 P HA -0.171 nan 4.420 nan 0.000 0.217 352 P C 1.524 178.794 177.300 -0.050 0.000 1.150 352 P CA 1.209 64.263 63.100 -0.077 0.000 0.832 352 P CB -0.132 31.588 31.700 0.034 0.000 0.787 353 F N -1.118 118.912 119.950 0.133 0.000 2.664 353 F HA 0.059 4.586 4.527 0.000 0.000 0.297 353 F C 1.535 177.393 175.800 0.096 0.000 1.164 353 F CA 0.412 58.469 58.000 0.095 0.000 1.472 353 F CB -1.095 37.954 39.000 0.081 0.000 1.108 353 F HN -0.219 nan 8.300 nan 0.000 0.596 354 R N 0.673 121.131 120.500 -0.069 0.000 2.362 354 R HA 0.517 4.858 4.340 0.000 0.000 0.227 354 R C -0.216 176.150 176.300 0.111 0.000 0.905 354 R CA 0.380 56.513 56.100 0.055 0.000 1.067 354 R CB 0.568 30.874 30.300 0.009 0.000 1.078 354 R HN 0.272 nan 8.270 nan 0.000 0.516 355 A N 1.990 124.854 122.820 0.073 0.000 2.530 355 A HA 0.197 4.517 4.320 0.000 0.000 0.279 355 A C -0.599 176.964 177.584 -0.034 0.000 1.109 355 A CA -0.885 51.171 52.037 0.032 0.000 0.763 355 A CB 0.658 19.766 19.000 0.179 0.000 1.257 355 A HN 0.262 nan 8.150 nan 0.000 0.424 356 E N 1.391 121.527 120.200 -0.106 0.000 2.349 356 E HA 0.528 4.878 4.350 0.000 0.000 0.262 356 E C 0.730 177.274 176.600 -0.094 0.000 1.088 356 E CA -0.186 56.171 56.400 -0.071 0.000 0.899 356 E CB 0.923 30.584 29.700 -0.066 0.000 1.044 356 E HN 1.873 nan 8.360 nan 0.000 0.420 357 G N 1.151 109.924 108.800 -0.045 0.000 2.176 357 G HA2 -0.195 3.765 3.960 0.000 0.000 0.252 357 G HA3 -0.195 3.765 3.960 0.000 0.000 0.252 357 G C 0.892 175.783 174.900 -0.014 0.000 1.024 357 G CA 0.340 45.419 45.100 -0.035 0.000 0.755 357 G HN 1.588 nan 8.290 nan 0.000 0.507 358 G N -1.301 107.500 108.800 0.003 0.000 2.273 358 G HA2 -0.275 3.685 3.960 0.000 0.000 0.280 358 G HA3 -0.275 3.685 3.960 0.000 0.000 0.280 358 G C 0.470 175.403 174.900 0.054 0.000 1.047 358 G CA 1.121 46.237 45.100 0.028 0.000 0.869 358 G HN 1.056 nan 8.290 nan 0.000 0.502 359 R N -1.376 119.158 120.500 0.055 0.000 2.528 359 R HA 0.581 4.921 4.340 0.000 0.000 0.271 359 R C -0.013 176.445 176.300 0.264 0.000 1.056 359 R CA -0.669 55.523 56.100 0.154 0.000 1.117 359 R CB 1.401 31.730 30.300 0.047 0.000 1.085 359 R HN 0.083 nan 8.270 nan 0.000 0.530 360 V N 3.239 123.382 119.914 0.381 0.000 2.357 360 V HA 0.278 4.398 4.120 0.000 0.000 0.284 360 V C -0.364 175.992 176.094 0.436 0.000 1.018 360 V CA -0.612 61.885 62.300 0.328 0.000 0.841 360 V CB 1.438 33.409 31.823 0.246 0.000 0.991 360 V HN 0.515 nan 8.190 nan 0.000 0.437 361 L N 5.816 127.192 121.223 0.254 0.000 2.280 361 L HA 0.565 4.905 4.340 0.000 0.000 0.287 361 L C -1.321 175.622 176.870 0.121 0.000 1.023 361 L CA -0.534 54.403 54.840 0.162 0.000 0.819 361 L CB 1.098 43.213 42.059 0.094 0.000 1.212 361 L HN 0.564 nan 8.230 nan 0.000 0.420 362 Y N 2.486 122.924 120.300 0.230 0.000 2.328 362 Y HA 0.253 4.803 4.550 0.000 0.000 0.337 362 Y C 0.478 176.447 175.900 0.114 0.000 1.008 362 Y CA -0.210 58.005 58.100 0.192 0.000 1.129 362 Y CB 1.847 40.457 38.460 0.251 0.000 1.185 362 Y HN 0.410 nan 8.280 nan 0.000 0.476 363 S N 3.325 119.121 115.700 0.160 0.000 2.488 363 S HA 0.329 4.799 4.470 0.000 0.000 0.310 363 S C -0.676 173.874 174.600 -0.083 0.000 1.093 363 S CA -0.677 57.530 58.200 0.013 0.000 1.129 363 S CB -0.253 62.986 63.200 0.064 0.000 0.989 363 S HN 0.627 nan 8.310 nan 0.000 0.479 364 C N 4.780 124.025 119.300 -0.093 0.000 2.463 364 C HA 0.539 4.999 4.460 0.000 0.000 0.380 364 C C 0.363 175.281 174.990 -0.121 0.000 1.264 364 C CA -0.947 58.006 59.018 -0.107 0.000 2.161 364 C CB -0.173 27.530 27.740 -0.061 0.000 2.515 364 C HN 0.633 nan 8.230 nan 0.000 0.565 365 M N 3.041 122.571 119.600 -0.117 0.000 2.294 365 M HA 0.556 5.036 4.480 0.000 0.000 0.335 365 M C -0.745 175.528 176.300 -0.046 0.000 1.079 365 M CA -0.300 54.957 55.300 -0.071 0.000 0.982 365 M CB 1.258 33.813 32.600 -0.076 0.000 1.651 365 M HN 0.380 nan 8.290 nan 0.000 0.437 366 V N 1.663 121.568 119.914 -0.015 0.000 2.709 366 V HA 0.927 5.047 4.120 0.000 0.000 0.308 366 V C 0.487 176.591 176.094 0.018 0.000 1.062 366 V CA 0.200 62.497 62.300 -0.006 0.000 0.901 366 V CB 1.563 33.377 31.823 -0.015 0.000 1.003 366 V HN 1.137 nan 8.190 nan 0.000 0.425 367 G N 3.025 111.836 108.800 0.018 0.000 2.713 367 G HA2 0.481 4.441 3.960 0.000 0.000 0.215 367 G HA3 0.481 4.441 3.960 0.000 0.000 0.215 367 G C 0.506 175.426 174.900 0.033 0.000 1.265 367 G CA 0.212 45.330 45.100 0.029 0.000 1.204 367 G HN 2.529 nan 8.290 nan 0.000 0.545 368 G N -1.222 107.604 108.800 0.043 0.000 2.757 368 G HA2 0.363 4.323 3.960 0.000 0.000 0.638 368 G HA3 0.363 4.323 3.960 0.000 0.000 0.638 368 G C 1.233 176.157 174.900 0.041 0.000 1.344 368 G CA 1.390 46.515 45.100 0.040 0.000 0.855 368 G HN 2.379 nan 8.290 nan 0.000 0.537 369 A N -0.501 122.342 122.820 0.038 0.000 2.024 369 A HA -0.012 4.308 4.320 0.000 0.000 0.220 369 A C 2.322 179.926 177.584 0.033 0.000 1.164 369 A CA 2.268 54.327 52.037 0.035 0.000 0.643 369 A CB -0.230 18.786 19.000 0.027 0.000 0.806 369 A HN 0.692 nan 8.150 nan 0.000 0.451 370 R N -1.277 119.242 120.500 0.032 0.000 2.290 370 R HA 0.117 4.457 4.340 0.000 0.000 0.197 370 R C 0.068 176.385 176.300 0.028 0.000 0.913 370 R CA 0.306 56.424 56.100 0.030 0.000 1.040 370 R CB 0.340 30.659 30.300 0.032 0.000 0.992 370 R HN 0.447 nan 8.270 nan 0.000 0.500 371 Q N 0.206 120.023 119.800 0.028 0.000 2.333 371 Q HA 0.168 4.508 4.340 0.000 0.000 0.365 371 Q C -2.127 173.889 176.000 0.026 0.000 0.882 371 Q CA -1.233 54.584 55.803 0.024 0.000 1.124 371 Q CB 1.584 30.335 28.738 0.021 0.000 1.345 371 Q HN 0.160 nan 8.270 nan 0.000 0.409 372 P HA -0.097 nan 4.420 nan 0.000 0.221 372 P C 1.344 178.659 177.300 0.025 0.000 1.150 372 P CA 1.057 64.177 63.100 0.033 0.000 0.800 372 P CB 0.166 31.887 31.700 0.036 0.000 0.787 373 G N 0.946 109.756 108.800 0.018 0.000 2.422 373 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 373 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 373 G C 1.645 176.548 174.900 0.005 0.000 1.146 373 G CA 0.423 45.529 45.100 0.010 0.000 0.769 373 G HN 0.230 nan 8.290 nan 0.000 0.547 374 L N 0.558 121.785 121.223 0.006 0.000 2.187 374 L HA -0.098 4.242 4.340 0.000 0.000 0.213 374 L C 2.738 179.606 176.870 -0.004 0.000 1.100 374 L CA 0.316 55.155 54.840 -0.001 0.000 0.765 374 L CB -0.354 41.705 42.059 -0.000 0.000 0.904 374 L HN 0.098 nan 8.230 nan 0.000 0.437 375 V N -0.678 119.239 119.914 0.006 0.000 2.970 375 V HA -0.175 3.945 4.120 0.000 0.000 0.260 375 V C 1.982 178.071 176.094 -0.009 0.000 1.100 375 V CA 1.214 63.518 62.300 0.006 0.000 1.122 375 V CB -0.499 31.345 31.823 0.035 0.000 0.721 375 V HN 0.461 nan 8.190 nan 0.000 0.483 376 E N -0.343 119.851 120.200 -0.009 0.000 2.481 376 E HA -0.009 4.341 4.350 0.000 0.000 0.195 376 E C 0.901 177.485 176.600 -0.027 0.000 1.047 376 E CA -0.073 56.316 56.400 -0.017 0.000 0.867 376 E CB 0.131 29.825 29.700 -0.011 0.000 0.858 376 E HN 0.702 nan 8.360 nan 0.000 0.513 377 Q N 0.991 120.774 119.800 -0.029 0.000 2.471 377 Q HA 0.040 4.380 4.340 0.000 0.000 0.223 377 Q C -0.050 175.920 176.000 -0.049 0.000 1.045 377 Q CA -0.388 55.393 55.803 -0.036 0.000 0.956 377 Q CB 0.542 29.259 28.738 -0.034 0.000 1.249 377 Q HN 0.072 nan 8.270 nan 0.000 0.549 378 D N 1.287 121.657 120.400 -0.051 0.000 2.390 378 D HA -0.094 4.546 4.640 0.000 0.000 0.236 378 D C 1.057 177.309 176.300 -0.080 0.000 1.189 378 D CA 0.358 54.320 54.000 -0.063 0.000 0.887 378 D CB 0.688 41.454 40.800 -0.057 0.000 1.198 378 D HN 0.467 nan 8.370 nan 0.000 0.444 379 E N 1.044 121.185 120.200 -0.098 0.000 2.085 379 E HA -0.185 4.165 4.350 0.000 0.000 0.194 379 E C 1.040 177.570 176.600 -0.118 0.000 0.994 379 E CA 1.131 57.456 56.400 -0.125 0.000 0.801 379 E CB 0.092 29.706 29.700 -0.144 0.000 0.743 379 E HN 0.432 nan 8.360 nan 0.000 0.453 380 D N 0.455 120.797 120.400 -0.097 0.000 2.162 380 D HA -0.024 4.616 4.640 0.000 0.000 0.203 380 D C 1.878 178.132 176.300 -0.076 0.000 0.967 380 D CA 1.075 55.022 54.000 -0.088 0.000 0.840 380 D CB -0.160 40.596 40.800 -0.073 0.000 0.972 380 D HN 0.126 nan 8.370 nan 0.000 0.482 381 A N 0.735 123.515 122.820 -0.066 0.000 1.930 381 A HA -0.074 4.247 4.320 0.000 0.000 0.217 381 A C 2.326 179.875 177.584 -0.057 0.000 1.175 381 A CA 0.740 52.744 52.037 -0.055 0.000 0.627 381 A CB -0.659 18.313 19.000 -0.046 0.000 0.815 381 A HN 0.173 nan 8.150 nan 0.000 0.443 382 L N -0.934 120.248 121.223 -0.068 0.000 2.109 382 L HA -0.135 4.205 4.340 0.000 0.000 0.207 382 L C 3.053 179.876 176.870 -0.078 0.000 1.086 382 L CA 0.871 55.669 54.840 -0.069 0.000 0.760 382 L CB -0.431 41.582 42.059 -0.077 0.000 0.910 382 L HN 0.434 nan 8.230 nan 0.000 0.437 383 A N 0.018 122.781 122.820 -0.095 0.000 1.898 383 A HA -0.142 4.178 4.320 0.000 0.000 0.216 383 A C 2.505 180.042 177.584 -0.079 0.000 1.181 383 A CA 1.623 53.597 52.037 -0.104 0.000 0.620 383 A CB -0.622 18.301 19.000 -0.129 0.000 0.819 383 A HN 0.384 nan 8.150 nan 0.000 0.442 384 A N -0.459 122.321 122.820 -0.067 0.000 1.930 384 A HA 0.005 4.326 4.320 0.000 0.000 0.217 384 A C 2.192 179.750 177.584 -0.044 0.000 1.175 384 A CA 1.423 53.429 52.037 -0.051 0.000 0.627 384 A CB -0.548 18.425 19.000 -0.046 0.000 0.815 384 A HN 0.619 nan 8.150 nan 0.000 0.443 385 L N -0.692 120.504 121.223 -0.045 0.000 2.027 385 L HA -0.081 4.259 4.340 0.000 0.000 0.206 385 L C 2.778 179.626 176.870 -0.037 0.000 1.074 385 L CA 1.549 56.366 54.840 -0.038 0.000 0.745 385 L CB -0.391 41.647 42.059 -0.036 0.000 0.898 385 L HN 0.354 nan 8.230 nan 0.000 0.433 386 A N -0.141 122.653 122.820 -0.043 0.000 1.908 386 A HA -0.221 4.099 4.320 0.000 0.000 0.218 386 A C 2.364 179.930 177.584 -0.030 0.000 1.181 386 A CA 1.572 53.586 52.037 -0.038 0.000 0.627 386 A CB -0.602 18.368 19.000 -0.050 0.000 0.818 386 A HN 0.434 nan 8.150 nan 0.000 0.445 387 R N -0.393 120.087 120.500 -0.033 0.000 2.073 387 R HA -0.125 4.215 4.340 0.000 0.000 0.234 387 R C 2.059 178.342 176.300 -0.029 0.000 1.134 387 R CA 1.670 57.758 56.100 -0.021 0.000 0.952 387 R CB -0.480 29.808 30.300 -0.021 0.000 0.850 387 R HN 0.728 nan 8.270 nan 0.000 0.433 388 E N 0.135 120.315 120.200 -0.033 0.000 2.077 388 E HA -0.170 4.180 4.350 0.000 0.000 0.193 388 E C 1.918 178.489 176.600 -0.048 0.000 0.989 388 E CA 0.903 57.281 56.400 -0.037 0.000 0.800 388 E CB 0.107 29.787 29.700 -0.034 0.000 0.746 388 E HN 0.276 nan 8.360 nan 0.000 0.452 389 E N 0.652 120.826 120.200 -0.044 0.000 2.072 389 E HA -0.097 4.253 4.350 0.000 0.000 0.190 389 E C 2.290 178.861 176.600 -0.049 0.000 0.982 389 E CA 0.434 56.804 56.400 -0.050 0.000 0.803 389 E CB -0.172 29.513 29.700 -0.026 0.000 0.755 389 E HN 0.296 nan 8.360 nan 0.000 0.453 390 L N 1.023 122.231 121.223 -0.026 0.000 2.127 390 L HA -0.192 4.148 4.340 0.000 0.000 0.211 390 L C 2.671 179.472 176.870 -0.114 0.000 1.089 390 L CA 1.216 56.026 54.840 -0.050 0.000 0.757 390 L CB -0.244 41.746 42.059 -0.115 0.000 0.899 390 L HN 0.110 nan 8.230 nan 0.000 0.434 391 K N 0.081 120.425 120.400 -0.093 0.000 2.025 391 K HA -0.154 4.167 4.320 0.000 0.000 0.207 391 K C 2.050 178.593 176.600 -0.096 0.000 1.049 391 K CA 1.321 57.554 56.287 -0.090 0.000 0.933 391 K CB -0.043 32.421 32.500 -0.060 0.000 0.714 391 K HN 0.251 nan 8.250 nan 0.000 0.438 392 A N 0.790 123.549 122.820 -0.101 0.000 2.014 392 A HA -0.006 4.314 4.320 0.000 0.000 0.218 392 A C 1.930 179.416 177.584 -0.164 0.000 1.163 392 A CA 0.992 52.964 52.037 -0.107 0.000 0.652 392 A CB -0.204 18.733 19.000 -0.104 0.000 0.808 392 A HN 0.313 nan 8.150 nan 0.000 0.449 393 L N -2.562 118.508 121.223 -0.256 0.000 2.425 393 L HA 0.236 4.576 4.340 0.000 0.000 0.215 393 L C 2.305 178.991 176.870 -0.307 0.000 1.065 393 L CA 0.854 55.435 54.840 -0.431 0.000 0.842 393 L CB -0.024 41.643 42.059 -0.653 0.000 1.033 393 L HN 0.312 nan 8.230 nan 0.000 0.474 394 A N -0.587 122.062 122.820 -0.286 0.000 2.431 394 A HA 0.464 4.784 4.320 0.000 0.000 0.239 394 A C 1.547 179.026 177.584 -0.174 0.000 1.230 394 A CA 0.527 52.400 52.037 -0.274 0.000 0.928 394 A CB 0.194 19.039 19.000 -0.258 0.000 1.006 394 A HN 0.401 nan 8.150 nan 0.000 0.520 395 G N -0.462 108.254 108.800 -0.140 0.000 2.168 395 G HA2 -0.206 3.754 3.960 0.000 0.000 0.257 395 G HA3 -0.206 3.754 3.960 0.000 0.000 0.257 395 G C 0.205 175.030 174.900 -0.125 0.000 0.997 395 G CA 0.291 45.325 45.100 -0.110 0.000 0.708 395 G HN 0.837 nan 8.290 nan 0.000 0.520 396 V N 1.201 121.016 119.914 -0.166 0.000 2.508 396 V HA 0.464 4.584 4.120 0.000 0.000 0.281 396 V C 1.499 177.513 176.094 -0.133 0.000 1.041 396 V CA 1.181 63.354 62.300 -0.211 0.000 1.016 396 V CB 1.131 32.737 31.823 -0.362 0.000 0.984 396 V HN 0.693 nan 8.190 nan 0.000 0.478 397 T N 1.034 115.526 114.554 -0.103 0.000 2.986 397 T HA 0.381 4.731 4.350 0.000 0.000 0.264 397 T C 0.685 175.388 174.700 0.006 0.000 0.964 397 T CA 0.455 62.531 62.100 -0.041 0.000 0.895 397 T CB 0.385 69.232 68.868 -0.036 0.000 1.163 397 T HN 0.755 nan 8.240 nan 0.000 0.517 398 A N 1.966 124.787 122.820 0.001 0.000 2.445 398 A HA 0.574 4.894 4.320 0.000 0.000 0.242 398 A C 0.452 178.198 177.584 0.271 0.000 1.075 398 A CA -0.512 51.587 52.037 0.103 0.000 0.777 398 A CB 0.066 19.108 19.000 0.070 0.000 1.013 398 A HN 0.511 nan 8.150 nan 0.000 0.493 399 R N 2.483 123.111 120.500 0.213 0.000 2.347 399 R HA 0.324 4.664 4.340 0.000 0.000 0.304 399 R C -2.360 174.027 176.300 0.144 0.000 1.072 399 R CA -1.296 54.898 56.100 0.157 0.000 0.980 399 R CB 0.456 30.804 30.300 0.079 0.000 0.986 399 R HN 0.549 nan 8.270 nan 0.000 0.448 400 P HA 0.064 nan 4.420 nan 0.000 0.279 400 P C -0.439 176.740 177.300 -0.203 0.000 1.239 400 P CA -0.295 62.509 63.100 -0.493 0.000 0.789 400 P CB 1.780 33.081 31.700 -0.664 0.000 0.933 401 S N 1.839 117.461 115.700 -0.130 0.000 2.503 401 S HA 0.155 4.625 4.470 0.000 0.000 0.215 401 S C 0.248 174.916 174.600 0.114 0.000 1.003 401 S CA -0.105 58.111 58.200 0.028 0.000 0.910 401 S CB -0.343 62.917 63.200 0.100 0.000 0.790 401 S HN 0.453 nan 8.310 nan 0.000 0.514 402 F N 2.104 121.991 119.950 -0.106 0.000 2.556 402 F HA 0.677 5.204 4.527 0.000 0.000 0.314 402 F C -1.349 174.363 175.800 -0.146 0.000 1.106 402 F CA -0.363 57.599 58.000 -0.064 0.000 0.911 402 F CB 2.105 41.144 39.000 0.064 0.000 1.190 402 F HN -0.109 nan 8.300 nan 0.000 0.448 403 T N 5.519 119.491 114.554 -0.970 0.000 2.991 403 T HA 0.559 4.909 4.350 0.000 0.000 0.303 403 T C -1.479 172.670 174.700 -0.918 0.000 1.015 403 T CA -0.669 60.930 62.100 -0.836 0.000 1.007 403 T CB 1.496 70.118 68.868 -0.410 0.000 1.034 403 T HN 0.648 nan 8.240 nan 0.000 0.446 404 R N 2.220 122.268 120.500 -0.753 0.000 2.515 404 R HA 0.676 5.016 4.340 0.000 0.000 0.291 404 R C -1.892 174.220 176.300 -0.312 0.000 1.046 404 R CA -0.487 55.316 56.100 -0.494 0.000 0.914 404 R CB 1.200 31.297 30.300 -0.339 0.000 1.191 404 R HN 0.499 nan 8.270 nan 0.000 0.435 405 V N 5.462 125.104 119.914 -0.454 0.000 2.417 405 V HA 0.586 4.706 4.120 0.000 0.000 0.291 405 V C -0.791 174.944 176.094 -0.599 0.000 1.024 405 V CA -0.550 61.533 62.300 -0.362 0.000 0.861 405 V CB 1.405 33.070 31.823 -0.263 0.000 0.985 405 V HN 0.584 nan 8.190 nan 0.000 0.436 406 F N 3.612 123.502 119.950 -0.100 0.000 2.467 406 F HA 0.665 5.193 4.527 0.000 0.000 0.336 406 F C 0.469 176.052 175.800 -0.361 0.000 1.123 406 F CA -0.635 57.220 58.000 -0.242 0.000 0.964 406 F CB 1.799 40.725 39.000 -0.124 0.000 1.136 406 F HN 0.268 nan 8.300 nan 0.000 0.447 407 R N 2.458 122.743 120.500 -0.358 0.000 2.387 407 R HA 0.409 4.749 4.340 0.000 0.000 0.314 407 R C -1.892 174.122 176.300 -0.478 0.000 0.958 407 R CA -0.628 55.291 56.100 -0.301 0.000 0.846 407 R CB 1.230 31.425 30.300 -0.176 0.000 1.147 407 R HN 0.636 nan 8.270 nan 0.000 0.447 408 W N 5.541 126.884 121.300 0.070 0.000 2.413 408 W HA 0.350 5.010 4.660 0.000 0.000 0.308 408 W C -1.978 174.566 176.519 0.042 0.000 0.997 408 W CA -1.906 55.476 57.345 0.062 0.000 1.447 408 W CB 1.464 30.967 29.460 0.071 0.000 1.263 408 W HN 0.527 nan 8.180 nan 0.000 0.416 409 P HA -0.111 nan 4.420 nan 0.000 0.219 409 P C 0.421 177.784 177.300 0.106 0.000 1.150 409 P CA 0.968 64.128 63.100 0.100 0.000 0.814 409 P CB 0.495 32.216 31.700 0.034 0.000 0.787 410 L N -0.359 120.939 121.223 0.124 0.000 2.589 410 L HA 0.480 4.820 4.340 0.000 0.000 0.244 410 L C 1.122 178.147 176.870 0.258 0.000 1.159 410 L CA -0.439 54.449 54.840 0.081 0.000 1.074 410 L CB -0.272 41.704 42.059 -0.138 0.000 1.391 410 L HN -0.125 nan 8.230 nan 0.000 0.423 411 G N 2.642 111.617 108.800 0.292 0.000 2.561 411 G HA2 0.110 4.070 3.960 0.000 0.000 0.208 411 G HA3 0.110 4.070 3.960 0.000 0.000 0.208 411 G C 0.369 175.367 174.900 0.163 0.000 1.510 411 G CA -0.069 45.164 45.100 0.222 0.000 0.941 411 G HN 0.329 nan 8.290 nan 0.000 0.478 412 I N 2.134 122.730 120.570 0.042 0.000 2.377 412 I HA 0.307 4.477 4.170 0.000 0.000 0.293 412 I C -2.329 173.584 176.117 -0.340 0.000 0.987 412 I CA -2.147 59.070 61.300 -0.138 0.000 1.185 412 I CB 2.621 40.549 38.000 -0.120 0.000 1.341 412 I HN 0.065 nan 8.210 nan 0.000 0.455 413 P HA -0.015 nan 4.420 nan 0.000 0.265 413 P C -1.171 175.939 177.300 -0.317 0.000 1.193 413 P CA -0.109 62.550 63.100 -0.736 0.000 0.765 413 P CB 0.359 31.758 31.700 -0.503 0.000 0.823 414 Q N 2.532 122.221 119.800 -0.185 0.000 2.372 414 Q HA 0.215 4.556 4.340 0.000 0.000 0.259 414 Q C -0.476 175.497 176.000 -0.044 0.000 0.993 414 Q CA -0.147 55.585 55.803 -0.118 0.000 0.854 414 Q CB 0.715 29.416 28.738 -0.063 0.000 1.231 414 Q HN 0.588 nan 8.270 nan 0.000 0.462 415 Y N 2.404 122.394 120.300 -0.518 0.000 2.724 415 Y HA 0.087 4.637 4.550 0.000 0.000 0.354 415 Y C 0.470 176.150 175.900 -0.368 0.000 1.270 415 Y CA -0.734 56.925 58.100 -0.735 0.000 1.902 415 Y CB 0.281 38.244 38.460 -0.828 0.000 1.981 415 Y HN 0.379 nan 8.280 nan 0.000 0.428 416 N N 1.131 119.803 118.700 -0.047 0.000 2.379 416 N HA 0.213 4.953 4.740 0.000 0.000 0.260 416 N C -0.144 175.388 175.510 0.036 0.000 1.254 416 N CA -0.588 52.457 53.050 -0.008 0.000 0.958 416 N CB 0.801 39.295 38.487 0.011 0.000 1.208 416 N HN 0.370 nan 8.380 nan 0.000 0.532 417 L N 0.582 121.821 121.223 0.027 0.000 2.640 417 L HA 0.003 4.343 4.340 0.000 0.000 0.280 417 L C 1.548 178.445 176.870 0.045 0.000 1.229 417 L CA 0.629 55.490 54.840 0.035 0.000 0.919 417 L CB -0.717 41.360 42.059 0.029 0.000 1.168 417 L HN 0.905 nan 8.230 nan 0.000 0.496 418 G N 1.282 110.109 108.800 0.044 0.000 2.176 418 G HA2 -0.312 3.648 3.960 0.000 0.000 0.232 418 G HA3 -0.312 3.648 3.960 0.000 0.000 0.232 418 G C 0.691 175.606 174.900 0.025 0.000 0.986 418 G CA 0.421 45.540 45.100 0.030 0.000 0.643 418 G HN 0.846 nan 8.290 nan 0.000 0.522 419 H N 0.443 119.480 119.070 -0.055 0.000 2.321 419 H HA 0.208 4.765 4.556 0.000 0.000 0.300 419 H C 2.723 177.981 175.328 -0.116 0.000 1.087 419 H CA 2.091 58.074 56.048 -0.108 0.000 1.319 419 H CB -0.187 29.471 29.762 -0.173 0.000 1.379 419 H HN 0.384 nan 8.280 nan 0.000 0.501 420 L N 0.080 121.273 121.223 -0.049 0.000 2.046 420 L HA -0.159 4.182 4.340 0.000 0.000 0.208 420 L C 2.587 179.395 176.870 -0.103 0.000 1.077 420 L CA 1.782 56.570 54.840 -0.087 0.000 0.747 420 L CB -0.446 41.603 42.059 -0.016 0.000 0.896 420 L HN 0.475 nan 8.230 nan 0.000 0.432 421 E N 0.239 120.397 120.200 -0.069 0.000 2.106 421 E HA -0.255 4.095 4.350 0.000 0.000 0.192 421 E C 2.364 178.916 176.600 -0.080 0.000 0.984 421 E CA 0.838 57.204 56.400 -0.057 0.000 0.806 421 E CB 0.106 29.788 29.700 -0.029 0.000 0.750 421 E HN 0.288 nan 8.360 nan 0.000 0.458 422 R N 0.232 120.663 120.500 -0.115 0.000 2.066 422 R HA -0.106 4.234 4.340 0.000 0.000 0.232 422 R C 2.205 178.413 176.300 -0.154 0.000 1.131 422 R CA 1.379 57.404 56.100 -0.125 0.000 0.955 422 R CB -0.141 30.073 30.300 -0.143 0.000 0.851 422 R HN 0.098 nan 8.270 nan 0.000 0.432 423 V N 1.240 121.007 119.914 -0.245 0.000 2.626 423 V HA -0.171 3.949 4.120 0.000 0.000 0.252 423 V C 2.442 178.459 176.094 -0.128 0.000 1.067 423 V CA 1.665 63.842 62.300 -0.204 0.000 1.081 423 V CB -0.445 31.212 31.823 -0.276 0.000 0.686 423 V HN 0.512 nan 8.190 nan 0.000 0.468 424 A N 0.101 122.857 122.820 -0.107 0.000 1.898 424 A HA -0.049 4.271 4.320 0.000 0.000 0.216 424 A C 2.429 179.975 177.584 -0.063 0.000 1.181 424 A CA 1.842 53.835 52.037 -0.073 0.000 0.620 424 A CB -0.662 18.305 19.000 -0.055 0.000 0.819 424 A HN 0.537 nan 8.150 nan 0.000 0.442 425 A N -0.111 122.671 122.820 -0.062 0.000 1.898 425 A HA -0.040 4.280 4.320 0.000 0.000 0.216 425 A C 2.100 179.652 177.584 -0.054 0.000 1.181 425 A CA 1.422 53.430 52.037 -0.048 0.000 0.620 425 A CB -0.593 18.383 19.000 -0.039 0.000 0.819 425 A HN 0.477 nan 8.150 nan 0.000 0.442 426 I N 0.036 120.565 120.570 -0.069 0.000 2.163 426 I HA -0.276 3.894 4.170 0.000 0.000 0.243 426 I C 1.978 178.034 176.117 -0.102 0.000 1.085 426 I CA 1.658 62.908 61.300 -0.083 0.000 1.347 426 I CB -0.427 37.516 38.000 -0.096 0.000 1.044 426 I HN 0.247 nan 8.210 nan 0.000 0.408 427 D N 0.928 121.265 120.400 -0.104 0.000 2.104 427 D HA -0.175 4.465 4.640 0.000 0.000 0.194 427 D C 2.255 178.514 176.300 -0.068 0.000 0.994 427 D CA 1.663 55.607 54.000 -0.094 0.000 0.830 427 D CB -0.309 40.443 40.800 -0.079 0.000 0.959 427 D HN 0.371 nan 8.370 nan 0.000 0.452 428 A N 1.052 123.839 122.820 -0.054 0.000 1.883 428 A HA -0.100 4.220 4.320 0.000 0.000 0.217 428 A C 2.322 179.883 177.584 -0.037 0.000 1.186 428 A CA 2.494 54.507 52.037 -0.039 0.000 0.624 428 A CB -0.816 18.164 19.000 -0.032 0.000 0.822 428 A HN 0.248 nan 8.150 nan 0.000 0.444 429 A N -0.668 122.127 122.820 -0.042 0.000 1.972 429 A HA 0.020 4.340 4.320 0.000 0.000 0.219 429 A C 2.097 179.654 177.584 -0.045 0.000 1.169 429 A CA 1.346 53.361 52.037 -0.036 0.000 0.635 429 A CB -0.523 18.456 19.000 -0.034 0.000 0.810 429 A HN 0.474 nan 8.150 nan 0.000 0.446 430 L N -0.769 120.412 121.223 -0.070 0.000 2.275 430 L HA -0.193 4.147 4.340 0.000 0.000 0.215 430 L C 2.663 179.483 176.870 -0.083 0.000 1.119 430 L CA 0.904 55.686 54.840 -0.097 0.000 0.790 430 L CB -0.319 41.658 42.059 -0.137 0.000 0.919 430 L HN 0.516 nan 8.230 nan 0.000 0.443 431 Q N -0.524 119.245 119.800 -0.052 0.000 2.230 431 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 431 Q C 2.039 178.030 176.000 -0.016 0.000 0.963 431 Q CA 1.285 57.068 55.803 -0.032 0.000 0.866 431 Q CB 0.058 28.784 28.738 -0.020 0.000 0.931 431 Q HN 0.460 nan 8.270 nan 0.000 0.452 432 R N -0.403 120.090 120.500 -0.011 0.000 2.356 432 R HA 0.245 4.585 4.340 0.000 0.000 0.234 432 R C 0.079 176.398 176.300 0.030 0.000 0.929 432 R CA 0.100 56.203 56.100 0.006 0.000 1.084 432 R CB -0.874 29.428 30.300 0.002 0.000 1.105 432 R HN 0.027 nan 8.270 nan 0.000 0.515 433 L N 1.399 122.646 121.223 0.040 0.000 2.470 433 L HA 0.500 4.840 4.340 0.000 0.000 0.253 433 L C -2.712 174.247 176.870 0.148 0.000 1.163 433 L CA -2.071 52.851 54.840 0.137 0.000 0.932 433 L CB 1.968 44.120 42.059 0.156 0.000 1.213 433 L HN 0.031 nan 8.230 nan 0.000 0.485 434 P HA 0.287 nan 4.420 nan 0.000 0.268 434 P C 1.033 178.506 177.300 0.289 0.000 1.204 434 P CA 0.481 63.654 63.100 0.121 0.000 0.768 434 P CB 1.112 32.864 31.700 0.086 0.000 0.842 435 G N 2.056 110.942 108.800 0.142 0.000 2.217 435 G HA2 -0.231 3.729 3.960 0.000 0.000 0.246 435 G HA3 -0.231 3.729 3.960 0.000 0.000 0.246 435 G C -0.161 174.640 174.900 -0.165 0.000 0.990 435 G CA -0.386 44.847 45.100 0.220 0.000 0.627 435 G HN 0.544 nan 8.290 nan 0.000 0.522 436 L N 2.075 123.042 121.223 -0.427 0.000 2.289 436 L HA 0.657 4.997 4.340 0.000 0.000 0.285 436 L C -0.135 176.293 176.870 -0.737 0.000 1.049 436 L CA -0.856 53.613 54.840 -0.618 0.000 0.804 436 L CB 0.794 42.510 42.059 -0.570 0.000 1.195 436 L HN 0.241 nan 8.230 nan 0.000 0.428 437 H N 5.482 124.425 119.070 -0.212 0.000 2.930 437 H HA 0.461 5.018 4.556 0.000 0.000 0.371 437 H C -1.037 174.186 175.328 -0.176 0.000 1.169 437 H CA -0.662 55.289 56.048 -0.162 0.000 1.157 437 H CB 2.408 32.101 29.762 -0.115 0.000 1.789 437 H HN 0.441 nan 8.280 nan 0.000 0.547 438 L N 2.888 124.055 121.223 -0.092 0.000 2.334 438 L HA 0.539 4.879 4.340 0.000 0.000 0.276 438 L C -0.612 176.183 176.870 -0.125 0.000 1.014 438 L CA -0.863 53.861 54.840 -0.193 0.000 0.815 438 L CB 1.994 43.738 42.059 -0.525 0.000 1.268 438 L HN 0.375 nan 8.230 nan 0.000 0.428 439 I N 0.696 121.284 120.570 0.030 0.000 3.004 439 I HA 0.874 5.044 4.170 0.000 0.000 0.305 439 I C -0.399 175.900 176.117 0.303 0.000 1.312 439 I CA 0.146 61.531 61.300 0.142 0.000 0.992 439 I CB 2.379 40.415 38.000 0.061 0.000 1.282 439 I HN 0.655 nan 8.210 nan 0.000 0.449 440 G N 3.873 112.835 108.800 0.269 0.000 2.340 440 G HA2 0.002 3.962 3.960 0.000 0.000 0.527 440 G HA3 0.002 3.962 3.960 0.000 0.000 0.527 440 G C -0.433 174.529 174.900 0.103 0.000 1.381 440 G CA -0.221 44.980 45.100 0.168 0.000 1.001 440 G HN 1.114 nan 8.290 nan 0.000 0.626 441 N N -0.364 118.351 118.700 0.025 0.000 2.571 441 N HA 0.183 4.923 4.740 0.000 0.000 0.189 441 N C 1.809 177.315 175.510 -0.007 0.000 1.154 441 N CA 1.648 54.705 53.050 0.012 0.000 0.907 441 N CB 0.005 38.471 38.487 -0.035 0.000 0.977 441 N HN 1.172 nan 8.380 nan 0.000 0.449 442 A N -0.781 121.911 122.820 -0.212 0.000 2.072 442 A HA 0.121 4.441 4.320 0.000 0.000 0.216 442 A C 1.008 178.403 177.584 -0.316 0.000 1.156 442 A CA 0.308 52.138 52.037 -0.345 0.000 0.701 442 A CB -0.233 18.412 19.000 -0.592 0.000 0.816 442 A HN 0.340 nan 8.150 nan 0.000 0.458 443 Y N -0.957 119.422 120.300 0.132 0.000 2.543 443 Y HA 0.272 4.822 4.550 0.000 0.000 0.249 443 Y C 1.419 177.322 175.900 0.005 0.000 1.081 443 Y CA 0.306 58.413 58.100 0.012 0.000 1.336 443 Y CB 0.199 38.651 38.460 -0.014 0.000 1.208 443 Y HN -0.102 nan 8.280 nan 0.000 0.502 444 K N 0.447 120.997 120.400 0.249 0.000 2.593 444 K HA 0.454 4.774 4.320 0.000 0.000 0.208 444 K C -0.575 176.149 176.600 0.206 0.000 1.051 444 K CA 0.153 56.542 56.287 0.170 0.000 1.111 444 K CB 0.825 33.389 32.500 0.108 0.000 0.849 444 K HN 0.509 nan 8.250 nan 0.000 0.479 445 G N 0.633 109.625 108.800 0.321 0.000 2.026 445 G HA2 -0.008 3.952 3.960 0.000 0.000 0.208 445 G HA3 -0.008 3.952 3.960 0.000 0.000 0.208 445 G C -1.070 173.897 174.900 0.112 0.000 1.640 445 G CA -0.942 44.285 45.100 0.212 0.000 0.946 445 G HN -0.049 nan 8.290 nan 0.000 0.709 446 V N 1.810 121.699 119.914 -0.042 0.000 2.607 446 V HA 0.874 4.994 4.120 0.000 0.000 0.289 446 V C 1.210 177.197 176.094 -0.178 0.000 1.053 446 V CA 1.346 63.540 62.300 -0.176 0.000 0.996 446 V CB 1.000 32.598 31.823 -0.375 0.000 0.995 446 V HN 2.535 nan 8.190 nan 0.000 0.476 447 G N 3.022 111.730 108.800 -0.154 0.000 2.675 447 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 447 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 447 G C -0.026 174.826 174.900 -0.080 0.000 1.215 447 G CA -0.299 44.722 45.100 -0.132 0.000 0.777 447 G HN 0.681 nan 8.290 nan 0.000 0.638 448 L N 0.747 121.932 121.223 -0.062 0.000 1.990 448 L HA -0.175 4.165 4.340 0.000 0.000 0.213 448 L C 2.854 179.682 176.870 -0.071 0.000 1.072 448 L CA 1.983 56.783 54.840 -0.066 0.000 0.755 448 L CB -0.527 41.492 42.059 -0.066 0.000 0.889 448 L HN 0.636 nan 8.230 nan 0.000 0.432 449 N N 0.154 118.827 118.700 -0.044 0.000 2.061 449 N HA -0.196 4.544 4.740 0.000 0.000 0.193 449 N C 1.520 177.009 175.510 -0.034 0.000 1.030 449 N CA 1.640 54.669 53.050 -0.034 0.000 0.856 449 N CB -0.476 38.020 38.487 0.015 0.000 1.023 449 N HN 0.350 nan 8.380 nan 0.000 0.424 450 D N 0.083 120.465 120.400 -0.030 0.000 2.097 450 D HA -0.061 4.579 4.640 0.000 0.000 0.195 450 D C 2.118 178.412 176.300 -0.011 0.000 0.989 450 D CA 0.664 54.655 54.000 -0.014 0.000 0.827 450 D CB -0.674 40.124 40.800 -0.004 0.000 0.966 450 D HN 0.232 nan 8.370 nan 0.000 0.456 451 C N 0.711 119.999 119.300 -0.020 0.000 2.413 451 C HA -0.113 4.347 4.460 0.000 0.000 0.276 451 C C 2.902 177.872 174.990 -0.032 0.000 1.236 451 C CA 0.168 59.177 59.018 -0.015 0.000 1.735 451 C CB -1.027 26.697 27.740 -0.027 0.000 2.031 451 C HN 0.329 nan 8.230 nan 0.000 0.474 452 I N 0.178 120.716 120.570 -0.054 0.000 2.179 452 I HA -0.199 3.971 4.170 0.000 0.000 0.242 452 I C 2.912 178.987 176.117 -0.070 0.000 1.088 452 I CA 1.453 62.712 61.300 -0.069 0.000 1.357 452 I CB -0.636 37.309 38.000 -0.092 0.000 1.051 452 I HN 0.321 nan 8.210 nan 0.000 0.409 453 R N 1.136 121.602 120.500 -0.057 0.000 2.073 453 R HA -0.178 4.162 4.340 0.000 0.000 0.234 453 R C 2.074 178.336 176.300 -0.064 0.000 1.134 453 R CA 1.778 57.843 56.100 -0.057 0.000 0.952 453 R CB -0.237 30.043 30.300 -0.034 0.000 0.850 453 R HN 0.370 nan 8.270 nan 0.000 0.433 454 N N 0.604 119.281 118.700 -0.039 0.000 2.166 454 N HA -0.134 4.606 4.740 0.000 0.000 0.186 454 N C 1.597 177.077 175.510 -0.050 0.000 1.019 454 N CA 1.399 54.431 53.050 -0.028 0.000 0.856 454 N CB -0.319 38.174 38.487 0.010 0.000 0.993 454 N HN 0.305 nan 8.380 nan 0.000 0.426 455 A N 1.031 123.817 122.820 -0.057 0.000 1.873 455 A HA 0.046 4.366 4.320 0.000 0.000 0.215 455 A C 2.370 179.870 177.584 -0.139 0.000 1.186 455 A CA 1.869 53.866 52.037 -0.067 0.000 0.616 455 A CB -0.830 18.144 19.000 -0.043 0.000 0.823 455 A HN 0.302 nan 8.150 nan 0.000 0.442 456 A N -0.820 121.862 122.820 -0.229 0.000 1.933 456 A HA -0.201 4.119 4.320 0.000 0.000 0.218 456 A C 2.122 179.484 177.584 -0.370 0.000 1.175 456 A CA 1.649 53.372 52.037 -0.523 0.000 0.628 456 A CB -0.513 18.179 19.000 -0.513 0.000 0.814 456 A HN 0.664 nan 8.150 nan 0.000 0.444 457 Q N -1.255 118.432 119.800 -0.189 0.000 2.123 457 Q HA -0.092 4.248 4.340 0.000 0.000 0.199 457 Q C 2.092 178.039 176.000 -0.089 0.000 0.966 457 Q CA 1.290 57.026 55.803 -0.111 0.000 0.845 457 Q CB -0.259 28.437 28.738 -0.070 0.000 0.907 457 Q HN 0.614 nan 8.270 nan 0.000 0.439 458 L N 0.666 121.833 121.223 -0.093 0.000 2.027 458 L HA -0.081 4.259 4.340 0.000 0.000 0.206 458 L C 2.171 178.980 176.870 -0.100 0.000 1.074 458 L CA 2.036 56.819 54.840 -0.096 0.000 0.745 458 L CB -0.768 41.237 42.059 -0.090 0.000 0.898 458 L HN 0.091 nan 8.230 nan 0.000 0.433 459 A N -0.582 122.194 122.820 -0.073 0.000 1.883 459 A HA -0.243 4.077 4.320 0.000 0.000 0.217 459 A C 2.027 179.637 177.584 0.043 0.000 1.186 459 A CA 2.015 54.054 52.037 0.004 0.000 0.624 459 A CB -0.968 18.097 19.000 0.108 0.000 0.822 459 A HN 0.559 nan 8.150 nan 0.000 0.444 460 D N 0.005 120.432 120.400 0.044 0.000 2.097 460 D HA -0.075 4.565 4.640 0.000 0.000 0.195 460 D C 2.214 178.518 176.300 0.007 0.000 0.989 460 D CA 1.634 55.668 54.000 0.058 0.000 0.827 460 D CB -0.495 40.334 40.800 0.048 0.000 0.966 460 D HN 0.428 nan 8.370 nan 0.000 0.456 461 A N 0.238 123.043 122.820 -0.026 0.000 2.019 461 A HA -0.120 4.200 4.320 0.000 0.000 0.219 461 A C 2.142 179.694 177.584 -0.052 0.000 1.164 461 A CA 0.811 52.826 52.037 -0.036 0.000 0.644 461 A CB -0.461 18.510 19.000 -0.047 0.000 0.805 461 A HN 0.173 nan 8.150 nan 0.000 0.449 462 L N -0.774 120.401 121.223 -0.081 0.000 2.131 462 L HA -0.032 4.309 4.340 0.000 0.000 0.206 462 L C 2.457 179.305 176.870 -0.038 0.000 1.087 462 L CA 1.299 56.080 54.840 -0.099 0.000 0.767 462 L CB -0.235 41.734 42.059 -0.149 0.000 0.917 462 L HN 0.179 nan 8.230 nan 0.000 0.441 463 V N -0.614 119.290 119.914 -0.017 0.000 2.379 463 V HA -0.212 3.908 4.120 0.000 0.000 0.245 463 V C 2.643 178.736 176.094 -0.001 0.000 1.044 463 V CA 1.479 63.776 62.300 -0.004 0.000 1.036 463 V CB -1.092 30.734 31.823 0.005 0.000 0.664 463 V HN 0.496 nan 8.190 nan 0.000 0.453 464 A N 0.411 123.232 122.820 0.001 0.000 1.930 464 A HA -0.008 4.312 4.320 0.000 0.000 0.217 464 A C 2.095 179.681 177.584 0.004 0.000 1.175 464 A CA 1.678 53.717 52.037 0.003 0.000 0.627 464 A CB -0.757 18.246 19.000 0.004 0.000 0.815 464 A HN 0.573 nan 8.150 nan 0.000 0.443 465 G N -0.404 108.398 108.800 0.003 0.000 3.448 465 G HA2 0.224 4.184 3.960 0.000 0.000 0.261 465 G HA3 0.224 4.184 3.960 0.000 0.000 0.261 465 G C 0.381 175.292 174.900 0.018 0.000 1.173 465 G CA 0.129 45.237 45.100 0.013 0.000 0.835 465 G HN 0.528 nan 8.290 nan 0.000 0.534 466 N N 0.000 118.707 118.700 0.012 0.000 1.763 466 N HA 0.000 4.740 4.740 0.000 0.000 0.220 466 N CA 0.000 53.060 53.050 0.016 0.000 0.885 466 N CB 0.000 38.492 38.487 0.009 0.000 1.341 466 N HN 0.000 nan 8.380 nan 0.000 0.667