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 2ivd_1_A 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 XXXXGTAPKL SGALSTFDGG LQVLIDALAA SLGDAAHVGA RVEGLAREXX 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 DALVA 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 0.000 176.320 176.300 0.033 0.000 1.140 10 M CA 0.000 55.317 55.300 0.028 0.000 0.988 10 M CB 0.000 32.612 32.600 0.021 0.000 1.302 11 N N 0.912 119.638 118.700 0.043 0.000 2.508 11 N HA 0.692 5.432 4.740 0.000 0.000 0.285 11 N C -0.923 174.624 175.510 0.062 0.000 1.144 11 N CA -0.627 52.451 53.050 0.047 0.000 0.978 11 N CB 1.905 40.421 38.487 0.048 0.000 1.180 11 N HN 0.535 nan 8.380 nan 0.000 0.484 12 V N -0.604 119.343 119.914 0.054 0.000 2.638 12 V HA 0.769 4.889 4.120 0.000 0.000 0.306 12 V C -0.287 175.838 176.094 0.052 0.000 1.052 12 V CA -1.120 61.215 62.300 0.058 0.000 0.885 12 V CB 1.311 33.159 31.823 0.041 0.000 0.999 12 V HN 1.000 nan 8.190 nan 0.000 0.424 13 A N 4.114 126.965 122.820 0.051 0.000 2.301 13 A HA 0.849 5.169 4.320 0.000 0.000 0.312 13 A C -0.670 176.929 177.584 0.025 0.000 1.182 13 A CA -0.497 51.564 52.037 0.041 0.000 0.826 13 A CB 1.273 20.295 19.000 0.036 0.000 1.134 13 A HN 0.720 nan 8.150 nan 0.000 0.501 14 V N 3.221 123.152 119.914 0.030 0.000 2.448 14 V HA 0.371 4.491 4.120 0.000 0.000 0.295 14 V C -0.413 175.694 176.094 0.022 0.000 1.025 14 V CA -0.473 61.840 62.300 0.023 0.000 0.859 14 V CB 1.615 33.455 31.823 0.029 0.000 0.988 14 V HN 0.633 nan 8.190 nan 0.000 0.431 15 V N 4.060 123.979 119.914 0.008 0.000 2.347 15 V HA 0.906 5.026 4.120 0.000 0.000 0.280 15 V C 0.539 176.641 176.094 0.014 0.000 1.021 15 V CA 0.238 62.541 62.300 0.005 0.000 0.847 15 V CB 0.773 32.585 31.823 -0.018 0.000 0.990 15 V HN 1.295 nan 8.190 nan 0.000 0.444 16 G N 3.482 112.295 108.800 0.021 0.000 3.067 16 G HA2 0.258 4.218 3.960 0.000 0.000 0.686 16 G HA3 0.258 4.218 3.960 0.000 0.000 0.686 16 G C 0.026 174.944 174.900 0.031 0.000 1.119 16 G CA -0.446 44.670 45.100 0.027 0.000 0.790 16 G HN 1.307 nan 8.290 nan 0.000 0.605 17 G N 0.694 109.514 108.800 0.032 0.000 4.547 17 G HA2 0.716 4.676 3.960 0.000 0.000 0.301 17 G HA3 0.716 4.676 3.960 0.000 0.000 0.301 17 G C 0.750 175.664 174.900 0.022 0.000 1.240 17 G CA 0.934 46.050 45.100 0.027 0.000 0.970 17 G HN 1.334 nan 8.290 nan 0.000 0.574 18 G N -0.034 108.780 108.800 0.022 0.000 2.525 18 G HA2 0.371 4.331 3.960 0.000 0.000 0.287 18 G HA3 0.371 4.331 3.960 0.000 0.000 0.287 18 G C 1.054 175.951 174.900 -0.005 0.000 1.350 18 G CA -0.557 44.548 45.100 0.009 0.000 1.039 18 G HN 0.110 nan 8.290 nan 0.000 0.513 19 I N -0.058 120.499 120.570 -0.022 0.000 2.248 19 I HA -0.209 3.961 4.170 0.000 0.000 0.248 19 I C 2.739 178.844 176.117 -0.020 0.000 1.107 19 I CA 1.941 63.221 61.300 -0.034 0.000 1.373 19 I CB -0.241 37.729 38.000 -0.050 0.000 1.055 19 I HN 0.319 nan 8.210 nan 0.000 0.418 20 S N 0.298 115.996 115.700 -0.003 0.000 2.355 20 S HA -0.056 4.415 4.470 0.000 0.000 0.222 20 S C 2.036 176.648 174.600 0.019 0.000 1.031 20 S CA 1.121 59.328 58.200 0.012 0.000 0.993 20 S CB -1.030 62.193 63.200 0.038 0.000 0.859 20 S HN 0.674 nan 8.310 nan 0.000 0.453 21 G N 1.816 110.630 108.800 0.024 0.000 2.404 21 G HA2 -0.099 3.861 3.960 0.000 0.000 0.215 21 G HA3 -0.099 3.861 3.960 0.000 0.000 0.215 21 G C 1.357 176.273 174.900 0.027 0.000 1.174 21 G CA 0.535 45.651 45.100 0.027 0.000 0.780 21 G HN 0.408 nan 8.290 nan 0.000 0.537 22 L N 0.776 122.009 121.223 0.017 0.000 2.012 22 L HA -0.115 4.225 4.340 0.000 0.000 0.210 22 L C 3.387 180.280 176.870 0.039 0.000 1.073 22 L CA 1.260 56.110 54.840 0.017 0.000 0.748 22 L CB -0.421 41.629 42.059 -0.014 0.000 0.891 22 L HN 0.308 nan 8.230 nan 0.000 0.431 23 A N -0.724 122.107 122.820 0.018 0.000 1.969 23 A HA -0.088 4.233 4.320 0.000 0.000 0.218 23 A C 2.330 179.969 177.584 0.092 0.000 1.169 23 A CA 1.329 53.387 52.037 0.034 0.000 0.635 23 A CB -0.606 18.384 19.000 -0.017 0.000 0.810 23 A HN 0.193 nan 8.150 nan 0.000 0.445 24 V N -0.243 119.705 119.914 0.057 0.000 2.307 24 V HA -0.205 3.915 4.120 0.000 0.000 0.245 24 V C 3.061 179.205 176.094 0.083 0.000 1.045 24 V CA 1.877 64.210 62.300 0.055 0.000 1.024 24 V CB -1.100 30.735 31.823 0.021 0.000 0.651 24 V HN 0.591 nan 8.190 nan 0.000 0.449 25 A N -0.491 122.372 122.820 0.073 0.000 1.902 25 A HA -0.304 4.016 4.320 0.000 0.000 0.217 25 A C 2.092 179.720 177.584 0.073 0.000 1.181 25 A CA 2.330 54.403 52.037 0.060 0.000 0.623 25 A CB -0.887 18.141 19.000 0.047 0.000 0.818 25 A HN 0.788 nan 8.150 nan 0.000 0.443 26 H N -1.847 117.235 119.070 0.019 0.000 2.353 26 H HA -0.206 4.350 4.556 0.000 0.000 0.300 26 H C 2.016 177.359 175.328 0.026 0.000 1.090 26 H CA 2.273 58.328 56.048 0.011 0.000 1.327 26 H CB -0.278 29.487 29.762 0.004 0.000 1.383 26 H HN 0.669 nan 8.280 nan 0.000 0.508 27 H N -0.532 118.587 119.070 0.083 0.000 2.423 27 H HA -0.022 4.534 4.556 0.000 0.000 0.297 27 H C 2.181 177.479 175.328 -0.050 0.000 1.075 27 H CA 1.462 57.526 56.048 0.026 0.000 1.342 27 H CB 0.003 29.800 29.762 0.058 0.000 1.395 27 H HN 0.328 nan 8.280 nan 0.000 0.530 28 L N -0.322 120.937 121.223 0.060 0.000 2.027 28 L HA -0.152 4.188 4.340 0.000 0.000 0.206 28 L C 2.578 179.403 176.870 -0.074 0.000 1.074 28 L CA 1.409 56.249 54.840 -0.000 0.000 0.745 28 L CB -0.267 41.801 42.059 0.014 0.000 0.898 28 L HN 0.247 nan 8.230 nan 0.000 0.433 29 R N -0.211 120.225 120.500 -0.106 0.000 2.092 29 R HA -0.126 4.215 4.340 0.000 0.000 0.231 29 R C 2.495 178.680 176.300 -0.192 0.000 1.119 29 R CA 1.543 57.563 56.100 -0.134 0.000 0.970 29 R CB -0.403 29.818 30.300 -0.132 0.000 0.864 29 R HN 0.437 nan 8.270 nan 0.000 0.440 30 S N 0.434 115.952 115.700 -0.304 0.000 2.507 30 S HA -0.070 4.400 4.470 0.000 0.000 0.235 30 S C 1.531 175.994 174.600 -0.228 0.000 0.988 30 S CA 0.720 58.734 58.200 -0.311 0.000 0.944 30 S CB 0.022 62.962 63.200 -0.433 0.000 0.762 30 S HN 0.265 nan 8.310 nan 0.000 0.526 31 R N 0.319 120.700 120.500 -0.200 0.000 2.509 31 R HA 0.309 4.649 4.340 0.000 0.000 0.300 31 R C 0.973 177.221 176.300 -0.086 0.000 0.985 31 R CA 0.318 56.334 56.100 -0.139 0.000 1.092 31 R CB 0.408 30.627 30.300 -0.136 0.000 1.237 31 R HN 0.516 nan 8.270 nan 0.000 0.546 32 G N 1.511 110.260 108.800 -0.085 0.000 2.171 32 G HA2 -0.229 3.731 3.960 0.000 0.000 0.238 32 G HA3 -0.229 3.731 3.960 0.000 0.000 0.238 32 G C -0.077 174.799 174.900 -0.039 0.000 1.039 32 G CA 0.196 45.261 45.100 -0.057 0.000 0.759 32 G HN 0.226 nan 8.290 nan 0.000 0.501 33 T N 1.834 116.364 114.554 -0.040 0.000 2.791 33 T HA 0.466 4.817 4.350 0.000 0.000 0.288 33 T C -0.059 174.629 174.700 -0.019 0.000 0.999 33 T CA -0.099 61.989 62.100 -0.021 0.000 0.952 33 T CB 1.303 70.164 68.868 -0.012 0.000 0.938 33 T HN 0.464 nan 8.240 nan 0.000 0.444 34 D N 2.475 122.870 120.400 -0.008 0.000 2.417 34 D HA 0.370 5.010 4.640 0.000 0.000 0.250 34 D C -0.345 175.961 176.300 0.010 0.000 1.166 34 D CA -0.496 53.502 54.000 -0.002 0.000 0.881 34 D CB 0.885 41.688 40.800 0.005 0.000 1.164 34 D HN 0.493 nan 8.370 nan 0.000 0.467 35 A N 2.641 125.466 122.820 0.009 0.000 2.386 35 A HA 0.563 4.883 4.320 0.000 0.000 0.311 35 A C -0.761 176.843 177.584 0.034 0.000 1.068 35 A CA -0.866 51.185 52.037 0.023 0.000 0.743 35 A CB 1.857 20.868 19.000 0.018 0.000 1.258 35 A HN 0.416 nan 8.150 nan 0.000 0.429 36 V N 2.748 122.696 119.914 0.057 0.000 2.417 36 V HA 0.499 4.619 4.120 0.000 0.000 0.291 36 V C -0.255 175.894 176.094 0.092 0.000 1.024 36 V CA -0.423 61.933 62.300 0.094 0.000 0.861 36 V CB 1.314 33.224 31.823 0.145 0.000 0.985 36 V HN 0.823 nan 8.190 nan 0.000 0.436 37 L N 6.152 127.429 121.223 0.091 0.000 2.329 37 L HA 0.700 5.040 4.340 0.000 0.000 0.279 37 L C -1.206 175.736 176.870 0.119 0.000 1.014 37 L CA -0.446 54.439 54.840 0.075 0.000 0.814 37 L CB 1.404 43.486 42.059 0.038 0.000 1.257 37 L HN 0.570 nan 8.230 nan 0.000 0.424 38 L N 4.457 125.733 121.223 0.087 0.000 2.319 38 L HA 0.556 4.896 4.340 0.000 0.000 0.281 38 L C -0.752 176.147 176.870 0.049 0.000 1.005 38 L CA -0.475 54.414 54.840 0.080 0.000 0.828 38 L CB 1.653 43.737 42.059 0.043 0.000 1.227 38 L HN 0.498 nan 8.230 nan 0.000 0.415 39 E N 1.019 121.250 120.200 0.051 0.000 2.171 39 E HA 0.319 4.669 4.350 0.000 0.000 0.271 39 E C 0.559 177.178 176.600 0.031 0.000 0.916 39 E CA -0.466 55.958 56.400 0.039 0.000 0.774 39 E CB 1.822 31.546 29.700 0.041 0.000 1.128 39 E HN 0.501 nan 8.360 nan 0.000 0.403 40 S N 2.122 117.838 115.700 0.028 0.000 2.414 40 S HA 0.049 4.519 4.470 0.000 0.000 0.227 40 S C 0.767 175.385 174.600 0.031 0.000 1.022 40 S CA 0.185 58.398 58.200 0.021 0.000 0.958 40 S CB -0.072 63.139 63.200 0.020 0.000 0.797 40 S HN 0.317 nan 8.310 nan 0.000 0.493 41 S N 1.324 117.052 115.700 0.047 0.000 2.608 41 S HA 0.605 5.075 4.470 0.000 0.000 0.261 41 S C 1.446 176.075 174.600 0.047 0.000 1.314 41 S CA -0.068 58.166 58.200 0.056 0.000 0.992 41 S CB 0.838 64.085 63.200 0.078 0.000 0.935 41 S HN 0.607 nan 8.310 nan 0.000 0.564 42 A N 0.903 123.753 122.820 0.050 0.000 2.119 42 A HA 0.056 4.377 4.320 0.000 0.000 0.217 42 A C 0.801 178.412 177.584 0.044 0.000 1.153 42 A CA 0.791 52.856 52.037 0.046 0.000 0.692 42 A CB -0.290 18.739 19.000 0.048 0.000 0.799 42 A HN 0.756 nan 8.150 nan 0.000 0.458 43 R N -1.858 118.672 120.500 0.050 0.000 2.744 43 R HA 0.684 5.024 4.340 0.000 0.000 0.279 43 R C -0.941 175.384 176.300 0.043 0.000 0.977 43 R CA -0.875 55.249 56.100 0.041 0.000 0.906 43 R CB 0.519 30.844 30.300 0.042 0.000 1.197 43 R HN -0.106 nan 8.270 nan 0.000 0.463 44 L N 0.850 122.088 121.223 0.025 0.000 2.475 44 L HA 0.529 4.869 4.340 0.000 0.000 0.253 44 L C 1.592 178.476 176.870 0.023 0.000 1.198 44 L CA 1.298 56.150 54.840 0.020 0.000 0.814 44 L CB 0.637 42.696 42.059 0.000 0.000 1.134 44 L HN 1.067 nan 8.230 nan 0.000 0.478 45 G N -0.763 108.047 108.800 0.018 0.000 2.391 45 G HA2 0.055 4.016 3.960 0.000 0.000 0.204 45 G HA3 0.055 4.016 3.960 0.000 0.000 0.204 45 G C 0.779 175.691 174.900 0.021 0.000 1.012 45 G CA 0.317 45.425 45.100 0.012 0.000 0.651 45 G HN 1.412 nan 8.290 nan 0.000 0.494 46 G N 0.665 109.498 108.800 0.054 0.000 2.565 46 G HA2 0.059 4.019 3.960 0.000 0.000 0.295 46 G HA3 0.059 4.019 3.960 0.000 0.000 0.295 46 G C 1.679 176.610 174.900 0.051 0.000 1.165 46 G CA 2.658 47.795 45.100 0.061 0.000 0.977 46 G HN 2.013 nan 8.290 nan 0.000 0.546 47 A N -0.431 122.317 122.820 -0.120 0.000 1.969 47 A HA 0.422 4.742 4.320 0.000 0.000 0.218 47 A C 1.531 178.999 177.584 -0.194 0.000 1.169 47 A CA 2.129 53.923 52.037 -0.405 0.000 0.635 47 A CB -0.412 18.273 19.000 -0.525 0.000 0.810 47 A HN 1.540 nan 8.150 nan 0.000 0.445 48 V N 0.279 120.148 119.914 -0.075 0.000 2.508 48 V HA 0.530 4.650 4.120 0.000 0.000 0.281 48 V C 0.517 176.636 176.094 0.041 0.000 1.041 48 V CA 0.485 62.775 62.300 -0.017 0.000 1.016 48 V CB 0.409 32.221 31.823 -0.019 0.000 0.984 48 V HN 0.579 nan 8.190 nan 0.000 0.478 49 G N 2.819 111.658 108.800 0.065 0.000 2.596 49 G HA2 0.515 4.475 3.960 0.000 0.000 0.300 49 G HA3 0.515 4.475 3.960 0.000 0.000 0.300 49 G C -0.839 174.135 174.900 0.124 0.000 1.370 49 G CA -0.544 44.606 45.100 0.084 0.000 1.170 49 G HN 0.561 nan 8.290 nan 0.000 0.594 50 T N 2.171 116.763 114.554 0.063 0.000 2.824 50 T HA 0.595 4.945 4.350 0.000 0.000 0.280 50 T C -0.569 174.166 174.700 0.058 0.000 0.995 50 T CA -0.471 61.703 62.100 0.122 0.000 1.009 50 T CB 1.105 70.024 68.868 0.085 0.000 0.955 50 T HN 0.518 nan 8.240 nan 0.000 0.452 51 H N 0.888 119.996 119.070 0.063 0.000 2.547 51 H HA 0.525 5.081 4.556 0.000 0.000 0.342 51 H C -0.477 174.906 175.328 0.092 0.000 1.048 51 H CA -0.893 55.217 56.048 0.104 0.000 1.204 51 H CB 1.593 31.471 29.762 0.193 0.000 1.493 51 H HN 0.752 nan 8.280 nan 0.000 0.511 52 A N 5.571 128.482 122.820 0.152 0.000 2.376 52 A HA 0.468 4.788 4.320 0.000 0.000 0.298 52 A C -0.310 177.336 177.584 0.103 0.000 1.271 52 A CA -0.269 51.830 52.037 0.103 0.000 0.926 52 A CB -0.562 18.473 19.000 0.059 0.000 1.141 52 A HN 0.570 nan 8.150 nan 0.000 0.539 53 L N 1.618 122.887 121.223 0.076 0.000 2.464 53 L HA 0.623 4.963 4.340 0.000 0.000 0.266 53 L C 0.827 177.619 176.870 -0.131 0.000 0.965 53 L CA -0.242 54.623 54.840 0.042 0.000 0.833 53 L CB 1.887 44.053 42.059 0.178 0.000 1.296 53 L HN 1.095 nan 8.230 nan 0.000 0.405 54 A N 2.021 124.782 122.820 -0.098 0.000 2.799 54 A HA 0.005 4.326 4.320 0.000 0.000 0.287 54 A C 1.402 178.812 177.584 -0.291 0.000 1.484 54 A CA 1.440 53.385 52.037 -0.154 0.000 0.813 54 A CB -1.902 17.000 19.000 -0.163 0.000 1.009 54 A HN 2.097 nan 8.150 nan 0.000 0.545 55 G N -4.323 104.325 108.800 -0.253 0.000 2.176 55 G HA2 -0.234 3.726 3.960 0.000 0.000 0.253 55 G HA3 -0.234 3.726 3.960 0.000 0.000 0.253 55 G C -0.076 174.558 174.900 -0.442 0.000 0.979 55 G CA 0.749 45.644 45.100 -0.342 0.000 0.641 55 G HN 1.514 nan 8.290 nan 0.000 0.530 56 Y N -1.133 119.051 120.300 -0.193 0.000 2.528 56 Y HA 0.749 5.299 4.550 0.000 0.000 0.335 56 Y C 0.222 176.083 175.900 -0.065 0.000 1.093 56 Y CA -1.478 56.534 58.100 -0.147 0.000 1.134 56 Y CB 1.424 39.725 38.460 -0.264 0.000 1.253 56 Y HN -0.008 nan 8.280 nan 0.000 0.478 57 L N 3.367 124.696 121.223 0.177 0.000 2.264 57 L HA 0.407 4.747 4.340 0.000 0.000 0.287 57 L C -0.466 176.486 176.870 0.137 0.000 1.039 57 L CA -0.718 54.211 54.840 0.149 0.000 0.829 57 L CB 0.643 42.792 42.059 0.150 0.000 1.211 57 L HN 0.464 nan 8.230 nan 0.000 0.427 58 V N 1.148 121.126 119.914 0.106 0.000 2.472 58 V HA 0.610 4.730 4.120 0.000 0.000 0.290 58 V C 0.123 176.212 176.094 -0.007 0.000 1.037 58 V CA -0.698 61.581 62.300 -0.034 0.000 0.908 58 V CB 1.626 33.313 31.823 -0.226 0.000 0.985 58 V HN 0.622 nan 8.190 nan 0.000 0.454 59 E N 3.650 123.862 120.200 0.019 0.000 2.200 59 E HA 0.221 4.571 4.350 0.000 0.000 0.283 59 E C 0.458 177.024 176.600 -0.057 0.000 1.015 59 E CA -0.176 56.261 56.400 0.062 0.000 0.819 59 E CB 2.118 31.899 29.700 0.135 0.000 1.081 59 E HN 0.855 nan 8.360 nan 0.000 0.397 60 Q N 1.688 121.343 119.800 -0.241 0.000 2.014 60 Q HA -0.188 4.152 4.340 0.000 0.000 0.207 60 Q C 1.188 177.215 176.000 0.046 0.000 0.993 60 Q CA 2.227 57.711 55.803 -0.532 0.000 0.850 60 Q CB 0.126 28.818 28.738 -0.076 0.000 0.916 60 Q HN 0.727 nan 8.270 nan 0.000 0.417 61 G N -0.765 108.070 108.800 0.058 0.000 2.581 61 G HA2 0.198 4.158 3.960 0.000 0.000 0.194 61 G HA3 0.198 4.158 3.960 0.000 0.000 0.194 61 G C -2.333 172.552 174.900 -0.026 0.000 1.814 61 G CA -0.362 44.716 45.100 -0.037 0.000 0.745 61 G HN 0.184 nan 8.290 nan 0.000 0.802 62 P HA 0.134 nan 4.420 nan 0.000 0.266 62 P C -0.360 176.986 177.300 0.077 0.000 1.195 62 P CA 0.308 63.406 63.100 -0.003 0.000 0.768 62 P CB 1.222 32.910 31.700 -0.021 0.000 0.838 63 N N -0.243 118.534 118.700 0.127 0.000 2.332 63 N HA 0.039 4.780 4.740 0.000 0.000 0.190 63 N C 0.256 175.900 175.510 0.223 0.000 1.117 63 N CA 0.335 53.503 53.050 0.197 0.000 0.883 63 N CB 0.559 39.201 38.487 0.258 0.000 1.089 63 N HN 0.578 nan 8.380 nan 0.000 0.480 64 S N -0.203 115.621 115.700 0.206 0.000 2.636 64 S HA 0.574 5.044 4.470 0.000 0.000 0.266 64 S C -1.388 173.327 174.600 0.192 0.000 1.147 64 S CA -1.023 57.284 58.200 0.178 0.000 0.815 64 S CB 1.173 64.506 63.200 0.221 0.000 1.119 64 S HN 0.145 nan 8.310 nan 0.000 0.470 65 F N -0.529 119.417 119.950 -0.006 0.000 2.588 65 F HA 0.872 5.399 4.527 0.000 0.000 0.314 65 F C -1.499 174.271 175.800 -0.050 0.000 1.069 65 F CA -1.495 56.484 58.000 -0.036 0.000 0.931 65 F CB 0.680 39.657 39.000 -0.037 0.000 1.260 65 F HN 0.473 nan 8.300 nan 0.000 0.465 66 L N 2.442 123.656 121.223 -0.015 0.000 2.281 66 L HA 0.224 4.564 4.340 0.000 0.000 0.285 66 L C 0.052 176.921 176.870 -0.002 0.000 1.074 66 L CA -0.011 54.766 54.840 -0.105 0.000 0.817 66 L CB 0.166 42.192 42.059 -0.055 0.000 1.168 66 L HN 0.670 nan 8.230 nan 0.000 0.434 67 D N 3.634 123.949 120.400 -0.143 0.000 2.662 67 D HA 0.057 4.697 4.640 0.000 0.000 0.228 67 D C 1.113 177.439 176.300 0.043 0.000 1.093 67 D CA 0.181 54.188 54.000 0.012 0.000 1.075 67 D CB 0.130 40.868 40.800 -0.103 0.000 1.122 67 D HN 0.598 nan 8.370 nan 0.000 0.475 68 R N 0.191 120.737 120.500 0.077 0.000 2.539 68 R HA 0.209 4.549 4.340 0.000 0.000 0.342 68 R C -0.035 176.296 176.300 0.051 0.000 0.941 68 R CA -0.545 55.581 56.100 0.043 0.000 1.146 68 R CB 0.195 30.505 30.300 0.017 0.000 1.541 68 R HN -0.059 nan 8.270 nan 0.000 0.525 69 E N 2.218 122.464 120.200 0.076 0.000 2.109 69 E HA 0.334 4.684 4.350 0.000 0.000 0.278 69 E C -1.996 174.627 176.600 0.039 0.000 0.954 69 E CA -3.005 53.424 56.400 0.048 0.000 0.779 69 E CB 1.791 31.515 29.700 0.041 0.000 1.093 69 E HN -0.120 nan 8.360 nan 0.000 0.401 70 P HA -0.212 nan 4.420 nan 0.000 0.216 70 P C 0.783 178.094 177.300 0.019 0.000 1.153 70 P CA 1.990 65.105 63.100 0.025 0.000 0.858 70 P CB 0.187 31.900 31.700 0.021 0.000 0.789 71 A N -1.068 121.756 122.820 0.006 0.000 1.978 71 A HA -0.188 4.133 4.320 0.000 0.000 0.220 71 A C 2.175 179.746 177.584 -0.022 0.000 1.170 71 A CA 2.367 54.401 52.037 -0.005 0.000 0.636 71 A CB -1.798 17.187 19.000 -0.026 0.000 0.810 71 A HN 0.200 nan 8.150 nan 0.000 0.448 72 T N -0.868 113.662 114.554 -0.041 0.000 2.942 72 T HA -0.037 4.314 4.350 0.000 0.000 0.265 72 T C 2.076 176.741 174.700 -0.057 0.000 1.062 72 T CA 0.873 62.910 62.100 -0.104 0.000 1.139 72 T CB -0.126 68.618 68.868 -0.206 0.000 0.883 72 T HN 0.327 nan 8.240 nan 0.000 0.468 73 R N 1.194 121.696 120.500 0.003 0.000 2.073 73 R HA 0.210 4.550 4.340 0.000 0.000 0.229 73 R C 2.733 179.051 176.300 0.031 0.000 1.120 73 R CA 1.178 57.299 56.100 0.035 0.000 0.967 73 R CB -0.855 29.475 30.300 0.050 0.000 0.862 73 R HN 0.410 nan 8.270 nan 0.000 0.436 74 A N 1.507 124.345 122.820 0.029 0.000 1.933 74 A HA -0.113 4.207 4.320 0.000 0.000 0.218 74 A C 2.137 179.746 177.584 0.041 0.000 1.175 74 A CA 0.909 52.971 52.037 0.042 0.000 0.628 74 A CB -0.462 18.573 19.000 0.058 0.000 0.814 74 A HN 0.197 nan 8.150 nan 0.000 0.444 75 L N -0.620 120.612 121.223 0.015 0.000 2.072 75 L HA -0.060 4.280 4.340 0.000 0.000 0.205 75 L C 2.702 179.540 176.870 -0.053 0.000 1.079 75 L CA 2.040 56.862 54.840 -0.031 0.000 0.752 75 L CB -1.145 40.865 42.059 -0.081 0.000 0.906 75 L HN 0.403 nan 8.230 nan 0.000 0.436 76 A N -0.006 122.806 122.820 -0.013 0.000 1.933 76 A HA -0.151 4.169 4.320 0.000 0.000 0.218 76 A C 2.463 180.065 177.584 0.030 0.000 1.175 76 A CA 1.764 53.821 52.037 0.034 0.000 0.628 76 A CB -0.719 18.364 19.000 0.139 0.000 0.814 76 A HN 0.554 nan 8.150 nan 0.000 0.444 77 A N -0.103 122.737 122.820 0.033 0.000 1.877 77 A HA 0.173 4.493 4.320 0.000 0.000 0.216 77 A C 2.470 180.071 177.584 0.028 0.000 1.186 77 A CA 1.993 54.050 52.037 0.032 0.000 0.620 77 A CB -1.029 17.992 19.000 0.034 0.000 0.822 77 A HN 1.126 nan 8.150 nan 0.000 0.443 78 A N -1.676 121.167 122.820 0.037 0.000 2.125 78 A HA 0.104 4.424 4.320 0.000 0.000 0.219 78 A C 1.680 179.301 177.584 0.062 0.000 1.156 78 A CA 1.478 53.556 52.037 0.068 0.000 0.671 78 A CB -0.236 18.852 19.000 0.147 0.000 0.794 78 A HN 0.429 nan 8.150 nan 0.000 0.459 79 L N -0.541 120.684 121.223 0.005 0.000 2.808 79 L HA 0.230 4.570 4.340 0.000 0.000 0.246 79 L C -0.099 176.756 176.870 -0.026 0.000 1.153 79 L CA 0.155 54.977 54.840 -0.028 0.000 0.956 79 L CB -0.559 41.426 42.059 -0.123 0.000 1.270 79 L HN 0.470 nan 8.230 nan 0.000 0.528 80 N N 0.166 118.864 118.700 -0.003 0.000 2.738 80 N HA -0.244 4.496 4.740 0.000 0.000 0.249 80 N C 0.660 176.173 175.510 0.004 0.000 1.047 80 N CA 0.786 53.837 53.050 0.003 0.000 0.707 80 N CB -1.550 36.936 38.487 -0.002 0.000 0.937 80 N HN 0.362 nan 8.380 nan 0.000 0.545 81 L N -0.396 120.841 121.223 0.023 0.000 2.701 81 L HA 0.122 4.463 4.340 0.000 0.000 0.238 81 L C 1.980 178.948 176.870 0.163 0.000 1.106 81 L CA -0.127 54.755 54.840 0.070 0.000 0.898 81 L CB 0.071 42.144 42.059 0.022 0.000 1.188 81 L HN 0.130 nan 8.230 nan 0.000 0.508 82 E N 0.999 121.266 120.200 0.111 0.000 2.171 82 E HA -0.197 4.153 4.350 0.000 0.000 0.197 82 E C 2.015 178.660 176.600 0.074 0.000 0.997 82 E CA 1.329 57.789 56.400 0.099 0.000 0.810 82 E CB -0.086 29.652 29.700 0.063 0.000 0.738 82 E HN 0.542 nan 8.360 nan 0.000 0.467 83 G N 0.288 109.122 108.800 0.057 0.000 2.744 83 G HA2 -0.159 3.801 3.960 0.000 0.000 0.211 83 G HA3 -0.159 3.801 3.960 0.000 0.000 0.211 83 G C 1.369 176.288 174.900 0.031 0.000 1.143 83 G CA -0.144 44.975 45.100 0.031 0.000 0.788 83 G HN 0.087 nan 8.290 nan 0.000 0.534 84 R N -0.612 119.939 120.500 0.086 0.000 2.334 84 R HA 0.283 4.623 4.340 0.000 0.000 0.212 84 R C 0.267 176.639 176.300 0.120 0.000 0.897 84 R CA -0.348 55.816 56.100 0.107 0.000 1.056 84 R CB 0.380 30.770 30.300 0.152 0.000 1.046 84 R HN 0.295 nan 8.270 nan 0.000 0.513 85 I N 2.536 123.144 120.570 0.063 0.000 2.618 85 I HA -0.033 4.138 4.170 0.000 0.000 0.284 85 I C 0.354 176.384 176.117 -0.146 0.000 1.146 85 I CA 0.529 61.735 61.300 -0.157 0.000 1.425 85 I CB 0.289 38.233 38.000 -0.093 0.000 1.383 85 I HN -0.122 nan 8.210 nan 0.000 0.562 86 R N 5.159 125.539 120.500 -0.198 0.000 2.599 86 R HA 0.701 5.041 4.340 0.000 0.000 0.295 86 R C -0.488 175.835 176.300 0.038 0.000 0.963 86 R CA -0.797 55.254 56.100 -0.082 0.000 0.883 86 R CB 1.934 32.141 30.300 -0.155 0.000 1.171 86 R HN 0.698 nan 8.270 nan 0.000 0.450 87 A N 1.395 124.285 122.820 0.116 0.000 2.246 87 A HA 0.613 4.933 4.320 0.000 0.000 0.291 87 A C 0.041 177.797 177.584 0.287 0.000 1.103 87 A CA -0.256 51.858 52.037 0.127 0.000 0.844 87 A CB 0.388 19.416 19.000 0.046 0.000 1.136 87 A HN 0.724 nan 8.150 nan 0.000 0.500 88 A N 0.423 123.310 122.820 0.112 0.000 2.990 88 A HA 0.522 4.843 4.320 0.000 0.000 0.282 88 A C 0.740 178.267 177.584 -0.096 0.000 1.688 88 A CA 1.041 53.041 52.037 -0.062 0.000 1.391 88 A CB -2.098 16.802 19.000 -0.166 0.000 1.112 88 A HN 2.456 nan 8.150 nan 0.000 0.588 89 D N 1.668 122.046 120.400 -0.036 0.000 10.615 89 D HA -0.173 4.467 4.640 0.000 0.000 0.361 89 D C -0.858 175.444 176.300 0.003 0.000 3.007 89 D CA 0.466 54.453 54.000 -0.021 0.000 2.426 89 D CB -1.682 39.046 40.800 -0.120 0.000 1.099 89 D HN 0.451 nan 8.370 nan 0.000 1.009 90 P HA 0.114 nan 4.420 nan 0.000 0.199 90 P C 1.573 178.877 177.300 0.007 0.000 1.118 90 P CA 2.717 65.828 63.100 0.018 0.000 0.913 90 P CB -0.594 31.119 31.700 0.021 0.000 0.738 91 A N -0.151 122.673 122.820 0.007 0.000 3.656 91 A HA 0.476 4.797 4.320 0.000 0.000 0.151 91 A C 1.257 178.848 177.584 0.011 0.000 1.657 91 A CA 1.404 53.448 52.037 0.013 0.000 1.148 91 A CB -1.353 17.660 19.000 0.023 0.000 1.569 91 A HN 0.582 nan 8.150 nan 0.000 0.709 92 A N -2.779 120.063 122.820 0.037 0.000 3.061 92 A HA -0.105 4.215 4.320 0.000 0.000 0.244 92 A C 1.144 178.751 177.584 0.038 0.000 1.357 92 A CA 1.840 53.908 52.037 0.053 0.000 0.889 92 A CB -2.472 16.531 19.000 0.004 0.000 1.092 92 A HN 1.817 nan 8.150 nan 0.000 0.694 93 K N -1.413 119.001 120.400 0.024 0.000 2.354 93 K HA 0.414 4.734 4.320 0.000 0.000 0.194 93 K C 0.441 177.034 176.600 -0.013 0.000 1.038 93 K CA 0.742 57.022 56.287 -0.013 0.000 1.052 93 K CB -0.024 32.461 32.500 -0.026 0.000 0.861 93 K HN 0.640 nan 8.250 nan 0.000 0.535 94 R N 1.316 121.824 120.500 0.013 0.000 2.490 94 R HA 0.363 4.703 4.340 0.000 0.000 0.280 94 R C -0.051 176.232 176.300 -0.029 0.000 1.077 94 R CA -0.279 55.778 56.100 -0.070 0.000 1.065 94 R CB 0.509 30.733 30.300 -0.128 0.000 1.003 94 R HN 0.191 nan 8.270 nan 0.000 0.470 95 R N 2.421 122.838 120.500 -0.139 0.000 2.664 95 R HA 0.367 4.707 4.340 0.000 0.000 0.286 95 R C -0.938 175.225 176.300 -0.228 0.000 0.967 95 R CA -0.764 55.323 56.100 -0.022 0.000 0.933 95 R CB 1.299 31.620 30.300 0.035 0.000 1.146 95 R HN 0.549 nan 8.270 nan 0.000 0.468 96 Y N -0.507 119.871 120.300 0.131 0.000 2.524 96 Y HA 0.518 5.068 4.550 0.000 0.000 0.344 96 Y C 0.028 176.033 175.900 0.175 0.000 1.012 96 Y CA -0.953 57.231 58.100 0.140 0.000 1.068 96 Y CB 2.336 40.887 38.460 0.151 0.000 1.249 96 Y HN 0.098 nan 8.280 nan 0.000 0.468 97 V N 2.343 122.426 119.914 0.282 0.000 2.531 97 V HA 0.167 4.288 4.120 0.000 0.000 0.301 97 V C -1.241 174.985 176.094 0.219 0.000 1.034 97 V CA -1.185 61.262 62.300 0.245 0.000 0.865 97 V CB 1.564 33.479 31.823 0.154 0.000 0.995 97 V HN 0.649 nan 8.190 nan 0.000 0.424 98 Y N 3.826 124.207 120.300 0.135 0.000 2.531 98 Y HA 0.491 5.041 4.550 0.000 0.000 0.347 98 Y C 0.425 176.361 175.900 0.060 0.000 1.024 98 Y CA 0.966 59.098 58.100 0.053 0.000 1.306 98 Y CB 0.715 39.188 38.460 0.020 0.000 1.149 98 Y HN 0.716 nan 8.280 nan 0.000 0.527 99 T N 6.631 120.971 114.554 -0.356 0.000 3.097 99 T HA 0.333 4.683 4.350 0.000 0.000 0.332 99 T C -0.861 173.652 174.700 -0.312 0.000 1.269 99 T CA -0.771 61.201 62.100 -0.213 0.000 1.076 99 T CB 0.630 69.472 68.868 -0.043 0.000 1.209 99 T HN 0.775 nan 8.240 nan 0.000 0.474 100 R N 2.626 122.999 120.500 -0.211 0.000 3.264 100 R HA -0.222 4.118 4.340 0.000 0.000 0.251 100 R C 1.058 177.216 176.300 -0.237 0.000 0.971 100 R CA 1.079 57.081 56.100 -0.162 0.000 0.658 100 R CB -1.915 28.325 30.300 -0.100 0.000 1.095 100 R HN 1.559 nan 8.270 nan 0.000 0.443 101 G N -0.279 108.308 108.800 -0.356 0.000 2.176 101 G HA2 -0.384 3.576 3.960 0.000 0.000 0.253 101 G HA3 -0.384 3.576 3.960 0.000 0.000 0.253 101 G C 0.051 174.757 174.900 -0.324 0.000 0.979 101 G CA 0.636 45.590 45.100 -0.243 0.000 0.641 101 G HN 0.769 nan 8.290 nan 0.000 0.530 102 R N -1.163 118.958 120.500 -0.631 0.000 2.712 102 R HA 0.638 4.979 4.340 0.000 0.000 0.272 102 R C -0.789 175.302 176.300 -0.349 0.000 1.032 102 R CA -1.256 54.643 56.100 -0.336 0.000 0.874 102 R CB 0.464 30.684 30.300 -0.133 0.000 1.256 102 R HN 0.191 nan 8.270 nan 0.000 0.468 103 L N 2.183 123.369 121.223 -0.062 0.000 2.462 103 L HA 0.310 4.651 4.340 0.000 0.000 0.272 103 L C 0.149 177.089 176.870 0.115 0.000 1.166 103 L CA 0.213 55.068 54.840 0.025 0.000 0.880 103 L CB 0.391 42.394 42.059 -0.094 0.000 1.142 103 L HN 0.528 nan 8.230 nan 0.000 0.473 104 R N 1.961 122.576 120.500 0.191 0.000 2.561 104 R HA 0.253 4.593 4.340 0.000 0.000 0.297 104 R C -0.526 175.859 176.300 0.141 0.000 0.969 104 R CA -0.493 55.699 56.100 0.153 0.000 0.879 104 R CB 2.109 32.425 30.300 0.027 0.000 1.178 104 R HN 0.555 nan 8.270 nan 0.000 0.445 105 S N 1.818 117.527 115.700 0.015 0.000 2.537 105 S HA 0.069 4.539 4.470 0.000 0.000 0.286 105 S C 0.127 174.625 174.600 -0.169 0.000 1.299 105 S CA -0.444 57.559 58.200 -0.327 0.000 1.067 105 S CB 0.423 63.474 63.200 -0.248 0.000 0.864 105 S HN 0.318 nan 8.310 nan 0.000 0.494 106 V N 8.988 128.785 119.914 -0.195 0.000 2.408 106 V HA 0.278 4.398 4.120 0.000 0.000 0.267 106 V C -1.901 174.167 176.094 -0.043 0.000 1.047 106 V CA -1.568 60.696 62.300 -0.061 0.000 0.937 106 V CB 0.566 32.367 31.823 -0.036 0.000 0.999 106 V HN 0.763 nan 8.190 nan 0.000 0.472 107 P HA 0.242 nan 4.420 nan 0.000 0.271 107 P C 0.322 177.644 177.300 0.037 0.000 1.216 107 P CA -0.137 62.994 63.100 0.051 0.000 0.771 107 P CB 1.145 32.936 31.700 0.152 0.000 0.864 108 A N 2.098 124.922 122.820 0.005 0.000 2.115 108 A HA 0.193 4.513 4.320 0.000 0.000 0.211 108 A C 0.896 178.473 177.584 -0.012 0.000 1.169 108 A CA 0.732 52.759 52.037 -0.017 0.000 0.787 108 A CB -0.298 18.683 19.000 -0.032 0.000 0.858 108 A HN 0.587 nan 8.150 nan 0.000 0.474 109 S N -1.747 113.960 115.700 0.012 0.000 2.607 109 S HA 0.593 5.063 4.470 0.000 0.000 0.303 109 S C -2.328 172.300 174.600 0.047 0.000 1.086 109 S CA -1.294 56.912 58.200 0.010 0.000 0.995 109 S CB 1.720 64.925 63.200 0.007 0.000 1.084 109 S HN -0.070 nan 8.310 nan 0.000 0.507 110 P HA 0.055 nan 4.420 nan 0.000 0.216 110 P C -1.628 175.745 177.300 0.122 0.000 1.153 110 P CA 1.213 64.352 63.100 0.064 0.000 0.848 110 P CB -1.179 30.526 31.700 0.008 0.000 0.787 111 P HA -0.086 nan 4.420 nan 0.000 0.217 111 P C 1.442 178.774 177.300 0.055 0.000 1.151 111 P CA 1.644 64.777 63.100 0.055 0.000 0.828 111 P CB -0.613 31.103 31.700 0.027 0.000 0.788 112 A N -1.045 121.809 122.820 0.058 0.000 1.969 112 A HA -0.176 4.144 4.320 0.000 0.000 0.218 112 A C 2.081 179.700 177.584 0.058 0.000 1.169 112 A CA 1.169 53.231 52.037 0.042 0.000 0.635 112 A CB -1.782 17.237 19.000 0.032 0.000 0.810 112 A HN 0.170 nan 8.150 nan 0.000 0.445 113 F N 0.591 120.526 119.950 -0.025 0.000 2.113 113 F HA -0.092 4.435 4.527 0.000 0.000 0.297 113 F C 1.799 177.589 175.800 -0.017 0.000 1.103 113 F CA 1.616 59.602 58.000 -0.023 0.000 1.248 113 F CB -0.234 38.752 39.000 -0.024 0.000 0.999 113 F HN 0.125 nan 8.300 nan 0.000 0.475 114 L N -0.026 121.171 121.223 -0.044 0.000 2.191 114 L HA -0.126 4.214 4.340 0.000 0.000 0.212 114 L C 2.347 179.120 176.870 -0.163 0.000 1.103 114 L CA 1.034 55.797 54.840 -0.128 0.000 0.769 114 L CB -0.906 41.173 42.059 0.032 0.000 0.908 114 L HN 0.286 nan 8.230 nan 0.000 0.438 115 A N -1.515 121.235 122.820 -0.117 0.000 2.345 115 A HA 0.112 4.432 4.320 0.000 0.000 0.225 115 A C 1.091 178.605 177.584 -0.118 0.000 1.243 115 A CA 0.028 52.008 52.037 -0.095 0.000 0.875 115 A CB -0.007 18.964 19.000 -0.049 0.000 0.929 115 A HN 0.246 nan 8.150 nan 0.000 0.502 116 S N 0.149 115.736 115.700 -0.188 0.000 2.646 116 S HA 0.331 4.801 4.470 0.000 0.000 0.276 116 S C 0.551 175.047 174.600 -0.172 0.000 1.222 116 S CA 0.072 58.173 58.200 -0.166 0.000 1.014 116 S CB 0.881 63.975 63.200 -0.177 0.000 0.991 116 S HN 0.453 nan 8.310 nan 0.000 0.533 117 D N 2.597 122.929 120.400 -0.112 0.000 2.340 117 D HA 0.023 4.664 4.640 0.000 0.000 0.217 117 D C 1.229 177.478 176.300 -0.085 0.000 1.081 117 D CA -0.153 53.791 54.000 -0.094 0.000 0.842 117 D CB -0.288 40.474 40.800 -0.064 0.000 0.934 117 D HN 0.411 nan 8.370 nan 0.000 0.511 118 I N -0.111 120.404 120.570 -0.091 0.000 2.423 118 I HA -0.019 4.151 4.170 0.000 0.000 0.254 118 I C 0.079 176.175 176.117 -0.034 0.000 1.151 118 I CA 1.246 62.519 61.300 -0.044 0.000 1.421 118 I CB 0.124 38.124 38.000 -0.000 0.000 1.079 118 I HN 0.095 nan 8.210 nan 0.000 0.431 119 L N 0.381 121.556 121.223 -0.080 0.000 2.424 119 L HA 0.460 4.800 4.340 0.000 0.000 0.258 119 L C -2.453 174.371 176.870 -0.077 0.000 0.995 119 L CA -2.068 52.743 54.840 -0.048 0.000 0.821 119 L CB 1.872 43.930 42.059 -0.001 0.000 1.383 119 L HN -0.248 nan 8.230 nan 0.000 0.410 120 P HA 0.030 nan 4.420 nan 0.000 0.272 120 P C 0.525 177.794 177.300 -0.052 0.000 1.240 120 P CA -0.451 62.623 63.100 -0.044 0.000 0.791 120 P CB 1.116 32.803 31.700 -0.022 0.000 0.978 121 L N 2.379 123.572 121.223 -0.051 0.000 2.012 121 L HA -0.079 4.261 4.340 0.000 0.000 0.210 121 L C 2.451 179.306 176.870 -0.024 0.000 1.073 121 L CA 2.766 57.575 54.840 -0.051 0.000 0.748 121 L CB -1.775 40.259 42.059 -0.042 0.000 0.891 121 L HN 0.563 nan 8.230 nan 0.000 0.431 122 G N -1.265 107.530 108.800 -0.009 0.000 2.422 122 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 122 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 122 G C 1.570 176.488 174.900 0.029 0.000 1.146 122 G CA 0.785 45.890 45.100 0.009 0.000 0.769 122 G HN 0.659 nan 8.290 nan 0.000 0.547 123 A N 0.449 123.287 122.820 0.030 0.000 1.969 123 A HA 0.097 4.417 4.320 0.000 0.000 0.218 123 A C 2.409 180.057 177.584 0.107 0.000 1.169 123 A CA 1.373 53.449 52.037 0.064 0.000 0.635 123 A CB -0.303 18.732 19.000 0.058 0.000 0.810 123 A HN 0.337 nan 8.150 nan 0.000 0.445 124 R N -1.168 119.364 120.500 0.053 0.000 2.092 124 R HA -0.028 4.312 4.340 0.000 0.000 0.231 124 R C 1.790 178.189 176.300 0.166 0.000 1.119 124 R CA 1.012 57.155 56.100 0.072 0.000 0.970 124 R CB -0.333 29.835 30.300 -0.219 0.000 0.864 124 R HN 0.368 nan 8.270 nan 0.000 0.440 125 L N 0.639 121.914 121.223 0.086 0.000 2.093 125 L HA -0.125 4.215 4.340 0.000 0.000 0.208 125 L C 2.317 179.255 176.870 0.113 0.000 1.085 125 L CA 1.598 56.493 54.840 0.091 0.000 0.755 125 L CB -0.710 41.382 42.059 0.056 0.000 0.904 125 L HN -0.002 nan 8.230 nan 0.000 0.435 126 R N -0.624 119.941 120.500 0.108 0.000 2.115 126 R HA -0.083 4.258 4.340 0.000 0.000 0.230 126 R C 2.078 178.444 176.300 0.110 0.000 1.111 126 R CA 1.291 57.455 56.100 0.106 0.000 0.976 126 R CB -0.788 29.568 30.300 0.093 0.000 0.870 126 R HN 0.198 nan 8.270 nan 0.000 0.445 127 V N 0.611 120.611 119.914 0.142 0.000 2.427 127 V HA -0.155 3.965 4.120 0.000 0.000 0.248 127 V C 2.298 178.419 176.094 0.046 0.000 1.051 127 V CA 1.802 64.157 62.300 0.092 0.000 1.048 127 V CB -0.858 31.034 31.823 0.115 0.000 0.666 127 V HN 0.498 nan 8.190 nan 0.000 0.456 128 A N 0.567 123.444 122.820 0.096 0.000 1.972 128 A HA -0.059 4.261 4.320 0.000 0.000 0.219 128 A C 2.236 179.830 177.584 0.016 0.000 1.169 128 A CA 1.608 53.675 52.037 0.050 0.000 0.635 128 A CB -0.935 18.117 19.000 0.086 0.000 0.810 128 A HN 0.560 nan 8.150 nan 0.000 0.446 129 G N -0.815 108.036 108.800 0.085 0.000 2.882 129 G HA2 -0.065 3.896 3.960 0.000 0.000 0.206 129 G HA3 -0.065 3.896 3.960 0.000 0.000 0.206 129 G C 1.151 176.086 174.900 0.059 0.000 1.155 129 G CA 0.653 45.849 45.100 0.160 0.000 0.800 129 G HN 0.500 nan 8.290 nan 0.000 0.524 130 E N 0.535 120.724 120.200 -0.018 0.000 2.204 130 E HA -0.076 4.274 4.350 0.000 0.000 0.195 130 E C 2.337 178.870 176.600 -0.112 0.000 0.990 130 E CA 0.351 56.732 56.400 -0.032 0.000 0.821 130 E CB -0.171 29.517 29.700 -0.020 0.000 0.750 130 E HN 0.497 nan 8.360 nan 0.000 0.477 131 L N -0.434 120.619 121.223 -0.283 0.000 2.129 131 L HA -0.185 4.155 4.340 0.000 0.000 0.212 131 L C 1.497 178.049 176.870 -0.531 0.000 1.087 131 L CA 1.205 55.742 54.840 -0.505 0.000 0.757 131 L CB -0.259 41.292 42.059 -0.847 0.000 0.896 131 L HN 0.118 nan 8.230 nan 0.000 0.434 132 F N -1.523 118.420 119.950 -0.013 0.000 2.639 132 F HA 0.163 4.690 4.527 0.000 0.000 0.300 132 F C 1.297 177.064 175.800 -0.056 0.000 1.109 132 F CA -0.646 57.339 58.000 -0.025 0.000 1.335 132 F CB -0.089 38.899 39.000 -0.019 0.000 1.014 132 F HN -0.192 nan 8.300 nan 0.000 0.537 133 S N 1.589 117.293 115.700 0.006 0.000 2.558 133 S HA 0.062 4.532 4.470 0.000 0.000 0.293 133 S C 0.751 175.285 174.600 -0.111 0.000 1.292 133 S CA -0.277 57.844 58.200 -0.131 0.000 1.063 133 S CB 0.302 63.300 63.200 -0.337 0.000 0.831 133 S HN 0.325 nan 8.310 nan 0.000 0.499 134 R N 1.609 122.029 120.500 -0.133 0.000 2.707 134 R HA 0.209 4.549 4.340 0.000 0.000 0.270 134 R C 0.409 176.636 176.300 -0.121 0.000 1.083 134 R CA -0.490 55.556 56.100 -0.090 0.000 1.182 134 R CB 0.431 30.689 30.300 -0.070 0.000 1.084 134 R HN 0.570 nan 8.270 nan 0.000 0.528 135 R N 0.694 121.157 120.500 -0.060 0.000 2.638 135 R HA -0.003 4.338 4.340 0.000 0.000 0.268 135 R C 0.088 176.362 176.300 -0.045 0.000 1.006 135 R CA 0.007 56.084 56.100 -0.038 0.000 1.088 135 R CB 0.253 30.547 30.300 -0.010 0.000 0.950 135 R HN 0.597 nan 8.270 nan 0.000 0.419 136 A N 5.461 128.274 122.820 -0.012 0.000 2.520 136 A HA 0.140 4.460 4.320 0.000 0.000 0.235 136 A C -1.794 175.807 177.584 0.028 0.000 1.065 136 A CA -1.055 50.997 52.037 0.026 0.000 0.764 136 A CB -0.369 18.690 19.000 0.099 0.000 1.002 136 A HN 0.501 nan 8.150 nan 0.000 0.502 137 P HA 0.081 nan 4.420 nan 0.000 0.267 137 P C -0.541 176.782 177.300 0.038 0.000 1.209 137 P CA 0.063 63.182 63.100 0.032 0.000 0.763 137 P CB 0.481 32.203 31.700 0.037 0.000 0.816 138 E N 2.098 122.315 120.200 0.028 0.000 2.299 138 E HA 0.216 4.567 4.350 0.000 0.000 0.272 138 E C 1.443 178.059 176.600 0.027 0.000 1.043 138 E CA 0.489 56.905 56.400 0.027 0.000 0.895 138 E CB 0.005 29.717 29.700 0.020 0.000 1.011 138 E HN 0.801 nan 8.360 nan 0.000 0.432 139 G N 2.253 111.071 108.800 0.030 0.000 2.153 139 G HA2 -0.261 3.699 3.960 0.000 0.000 0.252 139 G HA3 -0.261 3.699 3.960 0.000 0.000 0.252 139 G C 0.131 175.049 174.900 0.030 0.000 0.994 139 G CA 0.246 45.362 45.100 0.027 0.000 0.698 139 G HN 0.370 nan 8.290 nan 0.000 0.521 140 V N 0.559 120.496 119.914 0.038 0.000 2.459 140 V HA 0.469 4.590 4.120 0.000 0.000 0.295 140 V C 0.090 176.214 176.094 0.051 0.000 1.029 140 V CA -0.576 61.749 62.300 0.042 0.000 0.874 140 V CB 1.896 33.745 31.823 0.044 0.000 0.985 140 V HN 0.290 nan 8.190 nan 0.000 0.438 141 D N 4.206 124.633 120.400 0.044 0.000 2.508 141 D HA 0.079 4.719 4.640 0.000 0.000 0.224 141 D C 0.461 176.796 176.300 0.057 0.000 1.171 141 D CA -0.141 53.887 54.000 0.047 0.000 1.006 141 D CB 0.302 41.123 40.800 0.036 0.000 1.073 141 D HN 0.767 nan 8.370 nan 0.000 0.513 142 E N 1.412 121.660 120.200 0.080 0.000 2.373 142 E HA 0.233 4.583 4.350 0.000 0.000 0.263 142 E C -0.111 176.545 176.600 0.094 0.000 1.073 142 E CA -0.773 55.685 56.400 0.096 0.000 0.894 142 E CB 0.767 30.550 29.700 0.137 0.000 1.008 142 E HN 0.302 nan 8.360 nan 0.000 0.420 143 S N 3.643 119.395 115.700 0.087 0.000 2.608 143 S HA 0.023 4.493 4.470 0.000 0.000 0.261 143 S C 1.226 175.890 174.600 0.107 0.000 1.314 143 S CA -0.801 57.442 58.200 0.072 0.000 0.992 143 S CB 0.834 64.066 63.200 0.054 0.000 0.935 143 S HN 0.747 nan 8.310 nan 0.000 0.564 144 L N 0.741 122.010 121.223 0.076 0.000 2.056 144 L HA -0.060 4.281 4.340 0.000 0.000 0.207 144 L C 2.871 179.825 176.870 0.140 0.000 1.078 144 L CA 1.831 56.726 54.840 0.092 0.000 0.749 144 L CB -1.179 40.926 42.059 0.076 0.000 0.901 144 L HN 0.990 nan 8.230 nan 0.000 0.433 145 A N -0.437 122.435 122.820 0.088 0.000 1.930 145 A HA -0.145 4.176 4.320 0.000 0.000 0.217 145 A C 2.410 180.020 177.584 0.043 0.000 1.175 145 A CA 1.554 53.623 52.037 0.053 0.000 0.627 145 A CB -0.583 18.431 19.000 0.023 0.000 0.815 145 A HN 0.507 nan 8.150 nan 0.000 0.443 146 A N -1.148 121.716 122.820 0.072 0.000 1.898 146 A HA -0.006 4.314 4.320 0.000 0.000 0.216 146 A C 2.036 179.683 177.584 0.106 0.000 1.181 146 A CA 1.471 53.546 52.037 0.063 0.000 0.620 146 A CB -0.729 18.315 19.000 0.073 0.000 0.819 146 A HN 0.653 nan 8.150 nan 0.000 0.442 147 F N 1.211 121.183 119.950 0.037 0.000 2.095 147 F HA -0.103 4.424 4.527 0.000 0.000 0.298 147 F C 2.310 178.178 175.800 0.114 0.000 1.104 147 F CA 1.813 59.871 58.000 0.098 0.000 1.232 147 F CB -0.625 38.423 39.000 0.080 0.000 0.987 147 F HN 0.208 nan 8.300 nan 0.000 0.475 148 G N -0.197 108.744 108.800 0.234 0.000 2.402 148 G HA2 -0.235 3.726 3.960 0.000 0.000 0.216 148 G HA3 -0.235 3.726 3.960 0.000 0.000 0.216 148 G C 1.787 176.681 174.900 -0.009 0.000 1.162 148 G CA 0.666 45.826 45.100 0.101 0.000 0.777 148 G HN 0.311 nan 8.290 nan 0.000 0.539 149 R N -0.358 120.104 120.500 -0.063 0.000 2.096 149 R HA 0.019 4.359 4.340 0.000 0.000 0.235 149 R C 2.654 178.922 176.300 -0.055 0.000 1.127 149 R CA 1.295 57.317 56.100 -0.129 0.000 0.968 149 R CB -0.221 29.927 30.300 -0.253 0.000 0.861 149 R HN 0.277 nan 8.270 nan 0.000 0.440 150 R N -0.460 119.981 120.500 -0.099 0.000 2.066 150 R HA -0.108 4.233 4.340 0.000 0.000 0.232 150 R C 2.003 178.147 176.300 -0.259 0.000 1.131 150 R CA 1.375 57.368 56.100 -0.178 0.000 0.955 150 R CB -0.025 30.127 30.300 -0.247 0.000 0.851 150 R HN 0.368 nan 8.270 nan 0.000 0.432 151 H N -0.890 118.027 119.070 -0.255 0.000 2.355 151 H HA -0.013 4.544 4.556 0.000 0.000 0.303 151 H C 1.545 176.798 175.328 -0.125 0.000 1.061 151 H CA 1.161 57.060 56.048 -0.248 0.000 1.368 151 H CB 0.450 29.951 29.762 -0.434 0.000 1.412 151 H HN 0.145 nan 8.280 nan 0.000 0.523 152 L N -0.810 120.433 121.223 0.032 0.000 2.470 152 L HA 0.261 4.601 4.340 0.000 0.000 0.219 152 L C 1.006 177.914 176.870 0.064 0.000 1.071 152 L CA 1.005 55.866 54.840 0.035 0.000 0.850 152 L CB 0.091 42.164 42.059 0.024 0.000 1.040 152 L HN 0.431 nan 8.230 nan 0.000 0.475 153 G N -1.626 107.220 108.800 0.076 0.000 2.663 153 G HA2 -0.219 3.741 3.960 0.000 0.000 0.686 153 G HA3 -0.219 3.741 3.960 0.000 0.000 0.686 153 G C 0.114 175.109 174.900 0.158 0.000 1.288 153 G CA -0.037 45.154 45.100 0.151 0.000 0.836 153 G HN 0.217 nan 8.290 nan 0.000 0.584 154 H N 0.519 119.610 119.070 0.035 0.000 2.326 154 H HA 0.022 4.578 4.556 0.000 0.000 0.301 154 H C 2.826 178.181 175.328 0.044 0.000 1.081 154 H CA 2.007 58.078 56.048 0.037 0.000 1.334 154 H CB 0.044 29.824 29.762 0.031 0.000 1.385 154 H HN 0.375 nan 8.280 nan 0.000 0.504 155 R N 0.588 121.192 120.500 0.174 0.000 2.073 155 R HA 0.023 4.363 4.340 0.000 0.000 0.234 155 R C 2.429 178.790 176.300 0.101 0.000 1.134 155 R CA 1.165 57.334 56.100 0.116 0.000 0.952 155 R CB -1.132 29.224 30.300 0.093 0.000 0.850 155 R HN 0.393 nan 8.270 nan 0.000 0.433 156 A N 0.231 123.115 122.820 0.107 0.000 1.933 156 A HA -0.122 4.198 4.320 0.000 0.000 0.218 156 A C 2.209 179.831 177.584 0.062 0.000 1.175 156 A CA 2.003 54.098 52.037 0.097 0.000 0.628 156 A CB -0.705 18.352 19.000 0.095 0.000 0.814 156 A HN 0.351 nan 8.150 nan 0.000 0.444 157 T N -0.747 113.837 114.554 0.049 0.000 2.737 157 T HA -0.134 4.217 4.350 0.000 0.000 0.265 157 T C 2.124 176.846 174.700 0.038 0.000 1.038 157 T CA 1.642 63.759 62.100 0.029 0.000 1.144 157 T CB -0.253 68.608 68.868 -0.011 0.000 0.866 157 T HN 0.469 nan 8.240 nan 0.000 0.434 158 Q N 0.576 120.405 119.800 0.047 0.000 2.061 158 Q HA -0.098 4.242 4.340 0.000 0.000 0.204 158 Q C 2.370 178.409 176.000 0.066 0.000 0.984 158 Q CA 1.857 57.695 55.803 0.057 0.000 0.846 158 Q CB -0.446 28.334 28.738 0.072 0.000 0.902 158 Q HN 0.520 nan 8.270 nan 0.000 0.421 159 V N -2.637 117.319 119.914 0.071 0.000 2.922 159 V HA 0.153 4.274 4.120 0.000 0.000 0.242 159 V C 1.572 177.713 176.094 0.078 0.000 1.094 159 V CA 0.635 62.982 62.300 0.078 0.000 1.106 159 V CB 0.070 31.937 31.823 0.074 0.000 0.799 159 V HN 0.329 nan 8.190 nan 0.000 0.474 160 L N -0.876 120.388 121.223 0.068 0.000 2.356 160 L HA 0.242 4.582 4.340 0.000 0.000 0.193 160 L C 2.311 179.202 176.870 0.034 0.000 1.087 160 L CA 1.083 55.958 54.840 0.058 0.000 0.817 160 L CB -0.238 41.856 42.059 0.058 0.000 1.035 160 L HN 0.389 nan 8.230 nan 0.000 0.482 161 L N 0.490 121.725 121.223 0.020 0.000 2.141 161 L HA -0.201 4.139 4.340 0.000 0.000 0.209 161 L C 1.896 178.789 176.870 0.037 0.000 1.094 161 L CA 1.829 56.667 54.840 -0.003 0.000 0.763 161 L CB -0.504 41.550 42.059 -0.008 0.000 0.908 161 L HN 0.210 nan 8.230 nan 0.000 0.437 162 D N -0.752 119.681 120.400 0.055 0.000 2.144 162 D HA -0.143 4.497 4.640 0.000 0.000 0.200 162 D C 2.135 178.485 176.300 0.084 0.000 0.978 162 D CA 1.240 55.283 54.000 0.072 0.000 0.833 162 D CB 0.107 40.949 40.800 0.068 0.000 0.961 162 D HN 0.426 nan 8.370 nan 0.000 0.470 163 A N -0.107 122.762 122.820 0.081 0.000 1.858 163 A HA -0.116 4.204 4.320 0.000 0.000 0.216 163 A C 2.551 180.187 177.584 0.086 0.000 1.190 163 A CA 1.642 53.732 52.037 0.089 0.000 0.617 163 A CB -0.982 18.075 19.000 0.095 0.000 0.827 163 A HN 0.171 nan 8.150 nan 0.000 0.443 164 V N 0.746 120.707 119.914 0.078 0.000 2.324 164 V HA -0.324 3.796 4.120 0.000 0.000 0.250 164 V C 2.861 179.055 176.094 0.166 0.000 1.060 164 V CA 2.389 64.746 62.300 0.095 0.000 1.042 164 V CB -0.784 31.069 31.823 0.049 0.000 0.650 164 V HN 0.758 nan 8.190 nan 0.000 0.450 165 Q N -0.017 119.903 119.800 0.200 0.000 2.084 165 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 165 Q C 2.168 178.278 176.000 0.183 0.000 0.978 165 Q CA 2.603 58.574 55.803 0.279 0.000 0.844 165 Q CB -0.539 28.332 28.738 0.221 0.000 0.898 165 Q HN 0.647 nan 8.270 nan 0.000 0.426 166 T N -0.010 114.612 114.554 0.113 0.000 2.777 166 T HA -0.062 4.289 4.350 0.000 0.000 0.266 166 T C 1.657 176.375 174.700 0.030 0.000 1.040 166 T CA 1.367 63.510 62.100 0.070 0.000 1.141 166 T CB -0.585 68.321 68.868 0.063 0.000 0.868 166 T HN 0.572 nan 8.240 nan 0.000 0.444 167 G N 0.378 109.196 108.800 0.030 0.000 2.509 167 G HA2 -0.012 3.948 3.960 0.000 0.000 0.218 167 G HA3 -0.012 3.948 3.960 0.000 0.000 0.218 167 G C 1.324 176.186 174.900 -0.064 0.000 1.124 167 G CA 0.390 45.492 45.100 0.003 0.000 0.776 167 G HN 0.506 nan 8.290 nan 0.000 0.547 168 I N -2.583 117.907 120.570 -0.133 0.000 3.565 168 I HA 0.212 4.382 4.170 0.000 0.000 0.287 168 I C 1.576 177.341 176.117 -0.585 0.000 1.193 168 I CA 0.260 61.314 61.300 -0.411 0.000 1.402 168 I CB 0.438 38.082 38.000 -0.593 0.000 1.284 168 I HN 0.079 nan 8.210 nan 0.000 0.454 169 Y N 0.503 120.729 120.300 -0.123 0.000 2.430 169 Y HA 0.527 5.078 4.550 0.000 0.000 0.254 169 Y C 1.458 177.284 175.900 -0.123 0.000 1.088 169 Y CA 0.217 58.210 58.100 -0.178 0.000 1.267 169 Y CB 0.451 38.777 38.460 -0.222 0.000 1.204 169 Y HN 0.055 nan 8.280 nan 0.000 0.515 170 A N 1.147 123.997 122.820 0.050 0.000 2.745 170 A HA -0.128 4.192 4.320 0.000 0.000 0.296 170 A C 0.966 178.577 177.584 0.045 0.000 1.500 170 A CA 0.903 52.961 52.037 0.035 0.000 0.766 170 A CB -1.812 17.195 19.000 0.011 0.000 1.030 170 A HN 0.573 nan 8.150 nan 0.000 0.489 171 G N -1.173 107.666 108.800 0.066 0.000 2.857 171 G HA2 0.559 4.519 3.960 0.000 0.000 0.217 171 G HA3 0.559 4.519 3.960 0.000 0.000 0.217 171 G C -0.645 174.274 174.900 0.032 0.000 1.357 171 G CA 0.443 45.562 45.100 0.032 0.000 1.033 171 G HN 0.554 nan 8.290 nan 0.000 0.571 172 D N -1.026 119.383 120.400 0.015 0.000 2.481 172 D HA 0.260 4.900 4.640 0.000 0.000 0.246 172 D C 0.998 177.310 176.300 0.020 0.000 1.109 172 D CA -0.661 53.352 54.000 0.022 0.000 0.845 172 D CB 1.887 42.697 40.800 0.017 0.000 1.160 172 D HN 0.051 nan 8.370 nan 0.000 0.534 173 V N 4.326 124.262 119.914 0.036 0.000 2.594 173 V HA -0.143 3.978 4.120 0.000 0.000 0.253 173 V C 1.596 177.710 176.094 0.033 0.000 1.069 173 V CA 1.708 64.034 62.300 0.042 0.000 1.082 173 V CB -0.106 31.748 31.823 0.052 0.000 0.680 173 V HN 0.516 nan 8.190 nan 0.000 0.469 174 E N -0.727 119.490 120.200 0.028 0.000 2.358 174 E HA -0.102 4.248 4.350 0.000 0.000 0.195 174 E C 2.016 178.630 176.600 0.023 0.000 1.010 174 E CA 0.628 57.044 56.400 0.026 0.000 0.856 174 E CB -0.016 29.700 29.700 0.026 0.000 0.795 174 E HN 0.628 nan 8.360 nan 0.000 0.504 175 Q N -0.304 119.505 119.800 0.014 0.000 2.378 175 Q HA 0.204 4.545 4.340 0.000 0.000 0.229 175 Q C 0.912 176.906 176.000 -0.009 0.000 0.882 175 Q CA -0.016 55.791 55.803 0.008 0.000 0.936 175 Q CB 0.582 29.324 28.738 0.006 0.000 1.092 175 Q HN 0.241 nan 8.270 nan 0.000 0.535 176 L N 1.716 122.921 121.223 -0.029 0.000 2.416 176 L HA 0.103 4.443 4.340 0.000 0.000 0.272 176 L C 0.665 177.512 176.870 -0.038 0.000 1.161 176 L CA -0.200 54.594 54.840 -0.077 0.000 0.845 176 L CB 0.648 42.626 42.059 -0.135 0.000 1.119 176 L HN -0.058 nan 8.230 nan 0.000 0.464 177 S N 2.293 117.964 115.700 -0.047 0.000 2.455 177 S HA 0.051 4.522 4.470 0.000 0.000 0.278 177 S C 0.993 175.574 174.600 -0.032 0.000 1.216 177 S CA -0.568 57.624 58.200 -0.014 0.000 1.055 177 S CB 1.139 64.346 63.200 0.010 0.000 0.939 177 S HN 0.507 nan 8.310 nan 0.000 0.494 178 V N 6.198 126.099 119.914 -0.023 0.000 2.392 178 V HA -0.134 3.986 4.120 0.000 0.000 0.249 178 V C 2.376 178.430 176.094 -0.067 0.000 1.059 178 V CA 2.712 64.965 62.300 -0.079 0.000 1.051 178 V CB -1.075 30.546 31.823 -0.337 0.000 0.658 178 V HN 1.008 nan 8.190 nan 0.000 0.455 179 A N -0.507 122.292 122.820 -0.035 0.000 1.969 179 A HA 0.032 4.352 4.320 0.000 0.000 0.218 179 A C 2.358 179.944 177.584 0.004 0.000 1.169 179 A CA 2.032 54.065 52.037 -0.006 0.000 0.635 179 A CB -0.773 18.238 19.000 0.018 0.000 0.810 179 A HN 0.817 nan 8.150 nan 0.000 0.445 180 A N -0.514 122.309 122.820 0.005 0.000 1.898 180 A HA 0.016 4.336 4.320 0.000 0.000 0.214 180 A C 2.403 180.003 177.584 0.026 0.000 1.183 180 A CA 2.132 54.187 52.037 0.030 0.000 0.622 180 A CB -1.054 17.965 19.000 0.033 0.000 0.824 180 A HN 0.681 nan 8.150 nan 0.000 0.444 181 T N -4.057 110.420 114.554 -0.128 0.000 2.978 181 T HA 0.153 4.503 4.350 0.000 0.000 0.262 181 T C 0.280 174.588 174.700 -0.653 0.000 1.063 181 T CA 0.622 62.462 62.100 -0.433 0.000 1.140 181 T CB -0.312 68.140 68.868 -0.694 0.000 0.886 181 T HN 0.196 nan 8.240 nan 0.000 0.470 182 F N 1.318 121.230 119.950 -0.063 0.000 2.646 182 F HA 0.439 4.966 4.527 0.000 0.000 0.336 182 F C -2.211 173.534 175.800 -0.093 0.000 1.437 182 F CA -2.468 55.483 58.000 -0.082 0.000 1.142 182 F CB 1.700 40.600 39.000 -0.166 0.000 1.530 182 F HN -0.058 nan 8.300 nan 0.000 0.591 183 P HA -0.216 nan 4.420 nan 0.000 0.216 183 P C 1.878 179.207 177.300 0.049 0.000 1.150 183 P CA 1.677 64.801 63.100 0.040 0.000 0.843 183 P CB 0.157 31.878 31.700 0.034 0.000 0.787 184 M N -2.384 117.256 119.600 0.066 0.000 2.394 184 M HA -0.042 4.438 4.480 0.000 0.000 0.264 184 M C 1.692 178.025 176.300 0.056 0.000 1.073 184 M CA 1.125 56.461 55.300 0.060 0.000 1.111 184 M CB -1.252 31.385 32.600 0.062 0.000 1.401 184 M HN -0.002 nan 8.290 nan 0.000 0.448 185 L N -0.340 120.907 121.223 0.041 0.000 2.109 185 L HA -0.050 4.290 4.340 0.000 0.000 0.207 185 L C 2.486 179.397 176.870 0.068 0.000 1.086 185 L CA 1.146 55.990 54.840 0.008 0.000 0.760 185 L CB -1.103 40.861 42.059 -0.158 0.000 0.910 185 L HN 0.036 nan 8.230 nan 0.000 0.437 186 V N -0.620 119.311 119.914 0.029 0.000 2.453 186 V HA -0.250 3.870 4.120 0.000 0.000 0.247 186 V C 2.561 178.717 176.094 0.103 0.000 1.048 186 V CA 1.476 63.833 62.300 0.096 0.000 1.049 186 V CB -0.490 31.358 31.823 0.043 0.000 0.672 186 V HN 0.446 nan 8.190 nan 0.000 0.457 187 K N -0.425 120.019 120.400 0.074 0.000 2.025 187 K HA -0.142 4.179 4.320 0.000 0.000 0.207 187 K C 2.275 178.923 176.600 0.080 0.000 1.049 187 K CA 1.553 57.878 56.287 0.065 0.000 0.933 187 K CB -0.155 32.377 32.500 0.052 0.000 0.714 187 K HN 0.299 nan 8.250 nan 0.000 0.438 188 M N 0.844 120.506 119.600 0.104 0.000 2.159 188 M HA -0.195 4.286 4.480 0.000 0.000 0.263 188 M C 2.165 178.563 176.300 0.164 0.000 1.063 188 M CA 1.652 57.044 55.300 0.153 0.000 1.110 188 M CB -0.248 32.423 32.600 0.119 0.000 1.374 188 M HN 0.300 nan 8.290 nan 0.000 0.411 189 E N 0.240 120.536 120.200 0.159 0.000 2.051 189 E HA -0.295 4.055 4.350 0.000 0.000 0.192 189 E C 1.959 178.636 176.600 0.127 0.000 0.991 189 E CA 1.551 58.064 56.400 0.189 0.000 0.799 189 E CB -0.043 29.834 29.700 0.296 0.000 0.748 189 E HN 0.270 nan 8.360 nan 0.000 0.449 190 R N 0.978 121.535 120.500 0.094 0.000 2.083 190 R HA -0.160 4.180 4.340 0.000 0.000 0.237 190 R C 1.906 178.192 176.300 -0.023 0.000 1.137 190 R CA 2.298 58.423 56.100 0.043 0.000 0.951 190 R CB -0.210 30.113 30.300 0.037 0.000 0.851 190 R HN 0.295 nan 8.270 nan 0.000 0.434 191 E N -1.482 118.673 120.200 -0.074 0.000 2.158 191 E HA -0.088 4.263 4.350 0.000 0.000 0.191 191 E C 1.037 177.337 176.600 -0.500 0.000 0.982 191 E CA 0.961 57.184 56.400 -0.294 0.000 0.823 191 E CB 0.139 29.632 29.700 -0.344 0.000 0.766 191 E HN 0.551 nan 8.360 nan 0.000 0.468 192 H N -1.247 117.844 119.070 0.036 0.000 3.233 192 H HA 0.291 4.847 4.556 0.000 0.000 0.263 192 H C 1.021 176.369 175.328 0.034 0.000 1.168 192 H CA 0.304 56.368 56.048 0.027 0.000 1.159 192 H CB 0.964 30.736 29.762 0.016 0.000 1.593 192 H HN 0.080 nan 8.280 nan 0.000 0.580 193 R N 0.556 121.133 120.500 0.128 0.000 1.206 193 R HA -0.239 4.101 4.340 0.000 0.000 0.020 193 R C 0.569 176.967 176.300 0.163 0.000 0.960 193 R CA 1.752 57.920 56.100 0.113 0.000 1.963 193 R CB -1.322 29.014 30.300 0.061 0.000 0.163 193 R HN 0.215 nan 8.270 nan 0.000 0.724 194 S N 0.181 115.951 115.700 0.117 0.000 2.537 194 S HA 0.402 4.873 4.470 0.000 0.000 0.275 194 S C 1.476 176.115 174.600 0.064 0.000 1.272 194 S CA -0.422 57.832 58.200 0.089 0.000 1.050 194 S CB 1.229 64.422 63.200 -0.012 0.000 0.961 194 S HN 0.344 nan 8.310 nan 0.000 0.496 195 L N 4.986 126.223 121.223 0.024 0.000 2.056 195 L HA -0.044 4.296 4.340 0.000 0.000 0.207 195 L C 2.125 178.955 176.870 -0.067 0.000 1.078 195 L CA 1.086 55.902 54.840 -0.040 0.000 0.749 195 L CB -0.475 41.519 42.059 -0.109 0.000 0.901 195 L HN 0.725 nan 8.230 nan 0.000 0.433 196 I N -0.264 120.259 120.570 -0.078 0.000 2.163 196 I HA -0.332 3.838 4.170 0.000 0.000 0.243 196 I C 2.529 178.581 176.117 -0.109 0.000 1.085 196 I CA 1.418 62.658 61.300 -0.100 0.000 1.347 196 I CB -0.292 37.640 38.000 -0.114 0.000 1.044 196 I HN 0.229 nan 8.210 nan 0.000 0.408 197 L N 0.517 121.679 121.223 -0.102 0.000 2.012 197 L HA -0.181 4.159 4.340 0.000 0.000 0.210 197 L C 2.681 179.422 176.870 -0.215 0.000 1.073 197 L CA 1.821 56.592 54.840 -0.115 0.000 0.748 197 L CB -1.097 40.928 42.059 -0.056 0.000 0.891 197 L HN 0.348 nan 8.230 nan 0.000 0.431 198 G N -0.855 107.803 108.800 -0.237 0.000 2.450 198 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 198 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 198 G C 1.671 176.388 174.900 -0.304 0.000 1.130 198 G CA 0.882 45.707 45.100 -0.459 0.000 0.760 198 G HN 0.519 nan 8.290 nan 0.000 0.557 199 A N 0.625 123.341 122.820 -0.173 0.000 1.897 199 A HA 0.174 4.494 4.320 0.000 0.000 0.215 199 A C 2.377 179.890 177.584 -0.118 0.000 1.181 199 A CA 1.022 52.986 52.037 -0.122 0.000 0.620 199 A CB -0.285 18.658 19.000 -0.094 0.000 0.821 199 A HN 0.341 nan 8.150 nan 0.000 0.443 200 I N -0.641 119.855 120.570 -0.122 0.000 2.163 200 I HA -0.306 3.864 4.170 0.000 0.000 0.243 200 I C 2.770 178.824 176.117 -0.105 0.000 1.085 200 I CA 1.608 62.848 61.300 -0.099 0.000 1.347 200 I CB -0.303 37.643 38.000 -0.090 0.000 1.044 200 I HN 0.270 nan 8.210 nan 0.000 0.408 201 R N 0.469 120.872 120.500 -0.161 0.000 2.115 201 R HA -0.057 4.283 4.340 0.000 0.000 0.230 201 R C 2.422 178.654 176.300 -0.114 0.000 1.111 201 R CA 1.275 57.284 56.100 -0.151 0.000 0.976 201 R CB -0.376 29.774 30.300 -0.250 0.000 0.870 201 R HN 0.369 nan 8.270 nan 0.000 0.445 202 A N 0.732 123.473 122.820 -0.132 0.000 1.930 202 A HA -0.205 4.116 4.320 0.000 0.000 0.217 202 A C 2.063 179.620 177.584 -0.046 0.000 1.175 202 A CA 1.118 53.113 52.037 -0.070 0.000 0.627 202 A CB -0.393 18.568 19.000 -0.066 0.000 0.815 202 A HN 0.339 nan 8.150 nan 0.000 0.443 203 Q N -0.336 119.432 119.800 -0.054 0.000 2.119 203 Q HA -0.185 4.155 4.340 0.000 0.000 0.201 203 Q C 2.147 178.129 176.000 -0.030 0.000 0.972 203 Q CA 1.645 57.424 55.803 -0.039 0.000 0.847 203 Q CB -0.132 28.580 28.738 -0.042 0.000 0.903 203 Q HN 0.611 nan 8.270 nan 0.000 0.433 204 K N -0.273 120.106 120.400 -0.034 0.000 2.057 204 K HA -0.161 4.159 4.320 0.000 0.000 0.207 204 K C 1.911 178.503 176.600 -0.013 0.000 1.049 204 K CA 1.168 57.441 56.287 -0.023 0.000 0.931 204 K CB -0.137 32.349 32.500 -0.024 0.000 0.714 204 K HN 0.276 nan 8.250 nan 0.000 0.440 205 A N 0.974 123.786 122.820 -0.013 0.000 1.873 205 A HA -0.182 4.138 4.320 0.000 0.000 0.215 205 A C 2.013 179.596 177.584 -0.001 0.000 1.186 205 A CA 1.293 53.329 52.037 -0.002 0.000 0.616 205 A CB -0.448 18.556 19.000 0.006 0.000 0.823 205 A HN 0.396 nan 8.150 nan 0.000 0.442 206 Q N -1.067 118.730 119.800 -0.006 0.000 2.167 206 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 206 Q C 2.075 178.072 176.000 -0.005 0.000 0.970 206 Q CA 0.996 56.796 55.803 -0.004 0.000 0.855 206 Q CB -0.136 28.598 28.738 -0.007 0.000 0.911 206 Q HN 0.596 nan 8.270 nan 0.000 0.438 207 R N 1.359 121.854 120.500 -0.008 0.000 2.357 207 R HA -0.068 4.273 4.340 0.000 0.000 0.202 207 R C -0.388 175.910 176.300 -0.004 0.000 1.047 207 R CA 0.640 56.736 56.100 -0.007 0.000 1.034 207 R CB 0.167 30.461 30.300 -0.010 0.000 0.875 207 R HN 0.303 nan 8.270 nan 0.000 0.473 208 Q N 0.907 120.706 119.800 -0.002 0.000 2.700 208 Q HA 0.422 4.763 4.340 0.000 0.000 0.249 208 Q C -0.448 175.553 176.000 0.002 0.000 1.033 208 Q CA 0.126 55.929 55.803 0.000 0.000 0.804 208 Q CB 1.502 30.241 28.738 0.002 0.000 1.164 208 Q HN 0.402 nan 8.270 nan 0.000 0.500 215 T N -0.041 114.517 114.554 0.007 0.000 3.125 215 T HA 0.562 4.912 4.350 0.000 0.000 0.252 215 T C 1.299 176.004 174.700 0.008 0.000 0.981 215 T CA 0.845 62.949 62.100 0.007 0.000 1.069 215 T CB 0.587 69.460 68.868 0.007 0.000 1.091 215 T HN 0.659 nan 8.240 nan 0.000 0.460 216 A N 3.207 126.033 122.820 0.010 0.000 2.302 216 A HA 0.659 4.980 4.320 0.000 0.000 0.285 216 A C -2.134 175.457 177.584 0.011 0.000 1.105 216 A CA -1.353 50.691 52.037 0.012 0.000 0.816 216 A CB -0.337 18.671 19.000 0.014 0.000 1.067 216 A HN 0.236 nan 8.150 nan 0.000 0.489 217 P HA 0.167 nan 4.420 nan 0.000 0.269 217 P C -0.387 176.919 177.300 0.010 0.000 1.209 217 P CA -0.385 62.721 63.100 0.010 0.000 0.776 217 P CB 0.425 32.132 31.700 0.011 0.000 0.876 218 K N 2.831 123.235 120.400 0.007 0.000 2.339 218 K HA 0.221 4.541 4.320 0.000 0.000 0.286 218 K C 0.248 176.851 176.600 0.005 0.000 1.050 218 K CA -0.462 55.828 56.287 0.006 0.000 0.956 218 K CB -0.748 31.753 32.500 0.002 0.000 0.990 218 K HN 0.403 nan 8.250 nan 0.000 0.475 219 L N 4.171 125.399 121.223 0.009 0.000 2.455 219 L HA 0.072 4.412 4.340 0.000 0.000 0.272 219 L C 1.933 178.801 176.870 -0.003 0.000 1.174 219 L CA 0.138 54.984 54.840 0.009 0.000 0.869 219 L CB 1.071 43.142 42.059 0.019 0.000 1.130 219 L HN 0.951 nan 8.230 nan 0.000 0.474 220 S N 0.936 116.628 115.700 -0.012 0.000 2.461 220 S HA 0.011 4.481 4.470 0.000 0.000 0.228 220 S C 1.503 176.080 174.600 -0.039 0.000 1.005 220 S CA 0.326 58.510 58.200 -0.026 0.000 0.942 220 S CB 0.115 63.295 63.200 -0.032 0.000 0.776 220 S HN 1.061 nan 8.310 nan 0.000 0.514 221 G N 1.278 110.054 108.800 -0.041 0.000 2.184 221 G HA2 -0.168 3.792 3.960 0.000 0.000 0.264 221 G HA3 -0.168 3.792 3.960 0.000 0.000 0.264 221 G C 0.310 175.153 174.900 -0.096 0.000 0.975 221 G CA 0.138 45.206 45.100 -0.054 0.000 0.642 221 G HN 1.325 nan 8.290 nan 0.000 0.536 222 A N -0.246 122.509 122.820 -0.108 0.000 2.483 222 A HA 0.577 4.897 4.320 0.000 0.000 0.238 222 A C 0.746 178.204 177.584 -0.210 0.000 1.070 222 A CA 0.348 52.302 52.037 -0.138 0.000 0.770 222 A CB 0.421 19.358 19.000 -0.106 0.000 1.008 222 A HN 1.452 nan 8.150 nan 0.000 0.497 223 L N 2.741 123.834 121.223 -0.217 0.000 2.530 223 L HA 0.257 4.597 4.340 0.000 0.000 0.273 223 L C 0.043 176.827 176.870 -0.144 0.000 1.141 223 L CA 0.540 55.232 54.840 -0.247 0.000 0.905 223 L CB 0.079 41.933 42.059 -0.342 0.000 1.202 223 L HN 0.699 nan 8.230 nan 0.000 0.473 224 S N 2.702 118.164 115.700 -0.396 0.000 2.634 224 S HA 0.764 5.234 4.470 0.000 0.000 0.296 224 S C -0.361 173.874 174.600 -0.610 0.000 1.104 224 S CA -0.559 57.318 58.200 -0.539 0.000 0.920 224 S CB 2.125 64.722 63.200 -1.005 0.000 1.111 224 S HN 0.719 nan 8.310 nan 0.000 0.493 225 T N -0.155 114.088 114.554 -0.518 0.000 2.587 225 T HA 0.746 5.096 4.350 0.000 0.000 0.282 225 T C -1.803 172.618 174.700 -0.466 0.000 1.018 225 T CA -0.444 61.425 62.100 -0.386 0.000 1.120 225 T CB 0.087 68.618 68.868 -0.562 0.000 1.538 225 T HN 0.341 nan 8.240 nan 0.000 0.480 226 F N 0.978 120.926 119.950 -0.003 0.000 2.594 226 F HA 0.357 4.884 4.527 0.000 0.000 0.335 226 F C 1.519 177.240 175.800 -0.132 0.000 1.058 226 F CA -0.560 57.416 58.000 -0.039 0.000 0.981 226 F CB 1.038 40.032 39.000 -0.010 0.000 1.289 226 F HN 0.721 nan 8.300 nan 0.000 0.490 227 D N -0.211 120.160 120.400 -0.048 0.000 2.158 227 D HA -0.119 4.521 4.640 0.000 0.000 0.197 227 D C 1.628 177.897 176.300 -0.051 0.000 0.995 227 D CA 1.508 55.318 54.000 -0.317 0.000 0.846 227 D CB -0.788 39.869 40.800 -0.238 0.000 0.941 227 D HN 0.629 nan 8.370 nan 0.000 0.456 228 G N -1.514 107.330 108.800 0.073 0.000 3.605 228 G HA2 0.528 4.488 3.960 0.000 0.000 0.277 228 G HA3 0.528 4.488 3.960 0.000 0.000 0.277 228 G C 0.660 175.644 174.900 0.140 0.000 1.093 228 G CA 0.009 45.174 45.100 0.108 0.000 0.821 228 G HN 0.715 nan 8.290 nan 0.000 0.532 229 G N -0.398 108.523 108.800 0.201 0.000 2.631 229 G HA2 -0.190 3.770 3.960 0.000 0.000 0.504 229 G HA3 -0.190 3.770 3.960 0.000 0.000 0.504 229 G C 0.582 175.613 174.900 0.219 0.000 1.306 229 G CA -0.362 44.843 45.100 0.175 0.000 0.897 229 G HN 0.397 nan 8.290 nan 0.000 0.520 230 L N 0.068 121.408 121.223 0.196 0.000 2.552 230 L HA 0.034 4.374 4.340 0.000 0.000 0.227 230 L C 2.825 179.716 176.870 0.035 0.000 1.146 230 L CA 1.392 56.364 54.840 0.221 0.000 0.858 230 L CB -0.234 41.941 42.059 0.194 0.000 0.969 230 L HN 0.645 nan 8.230 nan 0.000 0.451 231 Q N 0.360 120.170 119.800 0.016 0.000 2.181 231 Q HA -0.175 4.165 4.340 0.000 0.000 0.205 231 Q C 2.136 178.066 176.000 -0.117 0.000 0.980 231 Q CA 1.690 57.467 55.803 -0.044 0.000 0.862 231 Q CB -0.300 28.422 28.738 -0.027 0.000 0.905 231 Q HN 0.318 nan 8.270 nan 0.000 0.429 232 V N 0.320 120.144 119.914 -0.149 0.000 2.282 232 V HA -0.274 3.846 4.120 0.000 0.000 0.249 232 V C 2.198 178.024 176.094 -0.447 0.000 1.057 232 V CA 1.769 63.906 62.300 -0.271 0.000 1.032 232 V CB -0.736 30.927 31.823 -0.266 0.000 0.645 232 V HN 0.455 nan 8.190 nan 0.000 0.447 233 L N -0.491 120.340 121.223 -0.652 0.000 2.131 233 L HA -0.130 4.211 4.340 0.000 0.000 0.210 233 L C 2.139 178.828 176.870 -0.302 0.000 1.092 233 L CA 1.924 56.411 54.840 -0.587 0.000 0.759 233 L CB -0.458 41.278 42.059 -0.538 0.000 0.903 233 L HN 0.153 nan 8.230 nan 0.000 0.435 234 I N -0.484 119.962 120.570 -0.207 0.000 2.277 234 I HA -0.171 3.999 4.170 0.000 0.000 0.243 234 I C 2.108 178.156 176.117 -0.115 0.000 1.094 234 I CA 0.997 62.220 61.300 -0.130 0.000 1.393 234 I CB -1.512 36.439 38.000 -0.080 0.000 1.078 234 I HN 0.245 nan 8.210 nan 0.000 0.417 235 D N 1.349 121.679 120.400 -0.118 0.000 2.158 235 D HA -0.155 4.485 4.640 0.000 0.000 0.197 235 D C 2.215 178.455 176.300 -0.100 0.000 0.995 235 D CA 1.619 55.562 54.000 -0.096 0.000 0.846 235 D CB -0.007 40.738 40.800 -0.092 0.000 0.941 235 D HN 0.327 nan 8.370 nan 0.000 0.456 236 A N 0.339 123.075 122.820 -0.140 0.000 1.929 236 A HA -0.078 4.242 4.320 0.000 0.000 0.216 236 A C 2.058 179.579 177.584 -0.105 0.000 1.176 236 A CA 0.584 52.542 52.037 -0.132 0.000 0.628 236 A CB -0.353 18.533 19.000 -0.190 0.000 0.816 236 A HN 0.110 nan 8.150 nan 0.000 0.444 237 L N -0.327 120.821 121.223 -0.125 0.000 2.056 237 L HA -0.088 4.252 4.340 0.000 0.000 0.207 237 L C 2.962 179.813 176.870 -0.032 0.000 1.078 237 L CA 1.921 56.710 54.840 -0.084 0.000 0.749 237 L CB -1.583 40.414 42.059 -0.104 0.000 0.901 237 L HN 0.424 nan 8.230 nan 0.000 0.433 238 A N -0.543 122.249 122.820 -0.047 0.000 1.902 238 A HA -0.147 4.173 4.320 0.000 0.000 0.217 238 A C 2.464 180.029 177.584 -0.031 0.000 1.181 238 A CA 1.866 53.882 52.037 -0.036 0.000 0.623 238 A CB -0.699 18.277 19.000 -0.040 0.000 0.818 238 A HN 0.395 nan 8.150 nan 0.000 0.443 239 A N -0.993 121.807 122.820 -0.034 0.000 1.968 239 A HA -0.025 4.295 4.320 0.000 0.000 0.217 239 A C 2.448 180.024 177.584 -0.014 0.000 1.169 239 A CA 1.990 54.011 52.037 -0.027 0.000 0.638 239 A CB -0.793 18.187 19.000 -0.033 0.000 0.812 239 A HN 0.583 nan 8.150 nan 0.000 0.446 240 S N -0.344 115.359 115.700 0.005 0.000 2.355 240 S HA -0.080 4.390 4.470 0.000 0.000 0.222 240 S C 1.907 176.520 174.600 0.022 0.000 1.031 240 S CA 1.469 59.693 58.200 0.040 0.000 0.993 240 S CB -0.434 62.851 63.200 0.142 0.000 0.859 240 S HN 0.475 nan 8.310 nan 0.000 0.453 241 L N 0.848 122.083 121.223 0.020 0.000 2.109 241 L HA 0.201 4.541 4.340 0.000 0.000 0.207 241 L C 2.191 179.037 176.870 -0.040 0.000 1.086 241 L CA 0.491 55.326 54.840 -0.009 0.000 0.760 241 L CB -1.350 40.706 42.059 -0.006 0.000 0.910 241 L HN 0.597 nan 8.230 nan 0.000 0.437 242 G N 0.767 109.542 108.800 -0.041 0.000 2.665 242 G HA2 -0.455 3.505 3.960 0.000 0.000 0.326 242 G HA3 -0.455 3.505 3.960 0.000 0.000 0.326 242 G C 0.671 175.517 174.900 -0.091 0.000 1.231 242 G CA 0.804 45.872 45.100 -0.052 0.000 0.992 242 G HN 0.297 nan 8.290 nan 0.000 0.549 243 D N 1.291 121.636 120.400 -0.091 0.000 2.264 243 D HA 0.217 4.858 4.640 0.000 0.000 0.208 243 D C 2.645 178.791 176.300 -0.258 0.000 0.966 243 D CA 1.609 55.526 54.000 -0.139 0.000 0.864 243 D CB -0.623 40.139 40.800 -0.063 0.000 0.933 243 D HN 0.735 nan 8.370 nan 0.000 0.499 244 A N -0.048 122.671 122.820 -0.170 0.000 2.168 244 A HA 0.278 4.598 4.320 0.000 0.000 0.215 244 A C 1.154 178.613 177.584 -0.210 0.000 1.152 244 A CA 0.874 52.825 52.037 -0.142 0.000 0.716 244 A CB -0.003 18.964 19.000 -0.055 0.000 0.794 244 A HN 0.161 nan 8.150 nan 0.000 0.465 245 A N 0.721 123.377 122.820 -0.272 0.000 2.291 245 A HA 0.594 4.914 4.320 0.000 0.000 0.311 245 A C -0.648 176.771 177.584 -0.276 0.000 1.224 245 A CA -0.582 51.340 52.037 -0.190 0.000 0.821 245 A CB 0.312 19.266 19.000 -0.078 0.000 1.172 245 A HN 0.446 nan 8.150 nan 0.000 0.494 246 H N 1.726 120.798 119.070 0.003 0.000 2.489 246 H HA 0.424 4.980 4.556 0.000 0.000 0.322 246 H C -0.573 174.748 175.328 -0.011 0.000 1.091 246 H CA -0.342 55.703 56.048 -0.005 0.000 1.291 246 H CB 1.815 31.567 29.762 -0.017 0.000 1.436 246 H HN 0.363 nan 8.280 nan 0.000 0.480 247 V N 1.422 121.391 119.914 0.090 0.000 2.713 247 V HA 0.317 4.437 4.120 0.000 0.000 0.307 247 V C 0.964 177.073 176.094 0.024 0.000 1.052 247 V CA 0.505 62.834 62.300 0.050 0.000 0.967 247 V CB 1.593 33.440 31.823 0.039 0.000 1.019 247 V HN 1.158 nan 8.190 nan 0.000 0.459 248 G N 4.184 112.992 108.800 0.013 0.000 2.283 248 G HA2 -0.103 3.857 3.960 0.000 0.000 0.280 248 G HA3 -0.103 3.857 3.960 0.000 0.000 0.280 248 G C 0.232 175.095 174.900 -0.061 0.000 1.029 248 G CA 0.292 45.383 45.100 -0.016 0.000 0.840 248 G HN 1.606 nan 8.290 nan 0.000 0.505 249 A N 0.098 122.897 122.820 -0.035 0.000 2.654 249 A HA 0.735 5.056 4.320 0.000 0.000 0.345 249 A C 0.508 178.075 177.584 -0.029 0.000 1.368 249 A CA -0.252 51.751 52.037 -0.056 0.000 0.895 249 A CB 0.291 19.260 19.000 -0.051 0.000 1.143 249 A HN 0.597 nan 8.150 nan 0.000 0.490 250 R N 2.033 122.515 120.500 -0.029 0.000 2.316 250 R HA 0.364 4.704 4.340 0.000 0.000 0.314 250 R C -0.731 175.556 176.300 -0.022 0.000 1.069 250 R CA -0.034 56.056 56.100 -0.018 0.000 0.959 250 R CB 0.370 30.663 30.300 -0.011 0.000 0.987 250 R HN 0.365 nan 8.270 nan 0.000 0.446 251 V N 6.288 126.190 119.914 -0.020 0.000 2.455 251 V HA 0.044 4.164 4.120 0.000 0.000 0.273 251 V C 0.804 176.887 176.094 -0.019 0.000 1.045 251 V CA 0.202 62.490 62.300 -0.020 0.000 0.976 251 V CB 1.082 32.892 31.823 -0.021 0.000 0.993 251 V HN 0.951 nan 8.190 nan 0.000 0.475 252 E N 3.644 123.837 120.200 -0.013 0.000 2.583 252 E HA 0.427 4.777 4.350 0.000 0.000 0.213 252 E C 0.618 177.217 176.600 -0.002 0.000 0.989 252 E CA 0.090 56.484 56.400 -0.009 0.000 0.991 252 E CB 1.296 30.992 29.700 -0.005 0.000 1.040 252 E HN 0.697 nan 8.360 nan 0.000 0.481 253 G N 1.578 110.380 108.800 0.003 0.000 2.667 253 G HA2 0.507 4.467 3.960 0.000 0.000 0.294 253 G HA3 0.507 4.467 3.960 0.000 0.000 0.294 253 G C -1.697 173.221 174.900 0.030 0.000 1.467 253 G CA -0.926 44.183 45.100 0.016 0.000 0.852 253 G HN 0.144 nan 8.290 nan 0.000 0.521 254 L N -1.129 120.126 121.223 0.053 0.000 2.506 254 L HA 1.044 5.384 4.340 0.000 0.000 0.257 254 L C -0.384 176.606 176.870 0.199 0.000 0.964 254 L CA -0.906 54.002 54.840 0.113 0.000 0.836 254 L CB 1.831 43.923 42.059 0.055 0.000 1.384 254 L HN 1.607 nan 8.230 nan 0.000 0.410 255 A N 1.622 124.622 122.820 0.299 0.000 2.610 255 A HA 0.835 5.155 4.320 0.000 0.000 0.291 255 A C -0.946 176.725 177.584 0.145 0.000 1.086 255 A CA -1.015 51.179 52.037 0.261 0.000 0.677 255 A CB 1.471 20.534 19.000 0.105 0.000 1.278 255 A HN 0.820 nan 8.150 nan 0.000 0.414 256 R N 0.394 120.792 120.500 -0.170 0.000 2.707 256 R HA 0.497 4.837 4.340 0.000 0.000 0.270 256 R C 0.128 176.254 176.300 -0.289 0.000 1.083 256 R CA 0.484 56.254 56.100 -0.549 0.000 1.182 256 R CB 0.375 30.346 30.300 -0.547 0.000 1.084 256 R HN 0.903 nan 8.270 nan 0.000 0.528 261 W N -0.411 120.887 121.300 -0.004 0.000 4.494 261 W HA 0.474 5.134 4.660 0.000 0.000 0.240 261 W C -0.526 175.991 176.519 -0.004 0.000 1.339 261 W CA -0.855 56.487 57.345 -0.006 0.000 1.375 261 W CB 1.059 30.516 29.460 -0.005 0.000 1.084 261 W HN 0.490 nan 8.180 nan 0.000 0.538 262 R N 3.021 123.665 120.500 0.240 0.000 2.437 262 R HA 0.722 5.062 4.340 0.000 0.000 0.310 262 R C -1.375 175.005 176.300 0.132 0.000 0.955 262 R CA -0.890 55.292 56.100 0.136 0.000 0.851 262 R CB 1.200 31.544 30.300 0.073 0.000 1.161 262 R HN 0.507 nan 8.270 nan 0.000 0.446 263 L N 5.257 126.532 121.223 0.086 0.000 2.307 263 L HA 0.436 4.777 4.340 0.000 0.000 0.284 263 L C -0.211 176.676 176.870 0.028 0.000 1.023 263 L CA -0.533 54.339 54.840 0.052 0.000 0.810 263 L CB 1.568 43.646 42.059 0.032 0.000 1.231 263 L HN 0.406 nan 8.230 nan 0.000 0.423 264 I N 4.539 125.121 120.570 0.021 0.000 2.315 264 I HA 0.385 4.556 4.170 0.000 0.000 0.291 264 I C -0.011 176.103 176.117 -0.006 0.000 1.006 264 I CA -0.267 61.037 61.300 0.008 0.000 1.265 264 I CB 0.746 38.752 38.000 0.011 0.000 1.387 264 I HN 0.460 nan 8.210 nan 0.000 0.475 265 I N 5.294 125.854 120.570 -0.018 0.000 2.474 265 I HA 0.294 4.464 4.170 0.000 0.000 0.294 265 I C 0.422 176.517 176.117 -0.037 0.000 1.005 265 I CA -0.480 60.798 61.300 -0.035 0.000 1.113 265 I CB 2.237 40.202 38.000 -0.060 0.000 1.289 265 I HN 0.498 nan 8.210 nan 0.000 0.436 266 E N 6.619 126.795 120.200 -0.040 0.000 2.121 266 E HA 0.249 4.599 4.350 0.000 0.000 0.255 266 E C -1.150 175.408 176.600 -0.070 0.000 0.906 266 E CA -0.223 56.154 56.400 -0.038 0.000 0.745 266 E CB 0.959 30.647 29.700 -0.020 0.000 1.155 266 E HN 0.559 nan 8.360 nan 0.000 0.424 267 E N 2.656 122.793 120.200 -0.105 0.000 2.210 267 E HA 0.198 4.549 4.350 0.000 0.000 0.266 267 E C -0.945 175.534 176.600 -0.201 0.000 0.883 267 E CA -0.614 55.641 56.400 -0.241 0.000 0.761 267 E CB 0.662 30.160 29.700 -0.338 0.000 1.156 267 E HN 0.669 nan 8.360 nan 0.000 0.412 268 H N 2.150 121.226 119.070 0.009 0.000 2.826 268 H HA -0.195 4.361 4.556 0.000 0.000 0.306 268 H C 0.818 176.151 175.328 0.008 0.000 1.235 268 H CA 0.583 56.638 56.048 0.011 0.000 1.150 268 H CB -1.584 28.184 29.762 0.010 0.000 1.409 268 H HN 0.974 nan 8.280 nan 0.000 0.420 269 G N -0.723 108.120 108.800 0.072 0.000 2.175 269 G HA2 -0.379 3.581 3.960 0.000 0.000 0.265 269 G HA3 -0.379 3.581 3.960 0.000 0.000 0.265 269 G C 0.296 175.219 174.900 0.039 0.000 0.979 269 G CA 0.733 45.862 45.100 0.048 0.000 0.663 269 G HN 0.507 nan 8.290 nan 0.000 0.533 270 R N -0.709 119.816 120.500 0.042 0.000 2.888 270 R HA 0.596 4.936 4.340 0.000 0.000 0.266 270 R C 0.107 176.415 176.300 0.015 0.000 1.020 270 R CA -1.154 54.965 56.100 0.032 0.000 0.963 270 R CB 0.915 31.243 30.300 0.047 0.000 1.197 270 R HN 0.318 nan 8.270 nan 0.000 0.481 271 R N 0.687 121.194 120.500 0.011 0.000 2.357 271 R HA 0.634 4.975 4.340 0.000 0.000 0.296 271 R C -1.070 175.230 176.300 0.001 0.000 1.052 271 R CA -0.029 56.073 56.100 0.002 0.000 0.988 271 R CB 0.946 31.248 30.300 0.004 0.000 1.025 271 R HN 0.717 nan 8.270 nan 0.000 0.469 272 A N 3.650 126.464 122.820 -0.010 0.000 2.532 272 A HA 0.561 4.882 4.320 0.000 0.000 0.290 272 A C -1.371 176.206 177.584 -0.013 0.000 1.143 272 A CA -0.787 51.243 52.037 -0.012 0.000 0.728 272 A CB 1.782 20.767 19.000 -0.026 0.000 1.317 272 A HN 0.800 nan 8.150 nan 0.000 0.414 273 E N -0.263 119.931 120.200 -0.009 0.000 2.317 273 E HA 0.660 5.010 4.350 0.000 0.000 0.270 273 E C -1.767 174.833 176.600 -0.001 0.000 0.885 273 E CA -0.582 55.817 56.400 -0.001 0.000 0.760 273 E CB 2.774 32.478 29.700 0.007 0.000 1.227 273 E HN 0.495 nan 8.360 nan 0.000 0.434 274 L N 0.962 122.191 121.223 0.010 0.000 2.445 274 L HA 0.468 4.808 4.340 0.000 0.000 0.262 274 L C -1.338 175.557 176.870 0.041 0.000 0.974 274 L CA -0.450 54.400 54.840 0.016 0.000 0.822 274 L CB 2.306 44.369 42.059 0.006 0.000 1.339 274 L HN 0.482 nan 8.230 nan 0.000 0.409 275 S N 2.943 118.669 115.700 0.043 0.000 2.552 275 S HA 0.707 5.177 4.470 0.000 0.000 0.314 275 S C -0.725 173.917 174.600 0.069 0.000 1.099 275 S CA -0.583 57.652 58.200 0.058 0.000 1.070 275 S CB 1.681 64.903 63.200 0.036 0.000 0.998 275 S HN 0.449 nan 8.310 nan 0.000 0.474 276 V N 0.391 120.369 119.914 0.107 0.000 3.102 276 V HA 0.935 5.055 4.120 0.000 0.000 0.312 276 V C 0.802 176.988 176.094 0.152 0.000 1.135 276 V CA -0.723 61.645 62.300 0.114 0.000 1.022 276 V CB 1.174 33.063 31.823 0.111 0.000 1.056 276 V HN 0.744 nan 8.190 nan 0.000 0.436 277 A N 0.854 123.753 122.820 0.133 0.000 1.929 277 A HA 0.179 4.500 4.320 0.000 0.000 0.216 277 A C 1.008 178.754 177.584 0.270 0.000 1.176 277 A CA 1.162 53.289 52.037 0.149 0.000 0.628 277 A CB -0.355 18.707 19.000 0.102 0.000 0.816 277 A HN 0.925 nan 8.150 nan 0.000 0.444 278 Q N -1.205 118.744 119.800 0.248 0.000 2.345 278 Q HA 0.571 4.911 4.340 0.000 0.000 0.275 278 Q C -1.863 174.207 176.000 0.116 0.000 1.063 278 Q CA -0.598 55.357 55.803 0.254 0.000 0.819 278 Q CB 2.879 31.765 28.738 0.247 0.000 1.356 278 Q HN 0.083 nan 8.270 nan 0.000 0.418 279 V N 1.965 121.842 119.914 -0.061 0.000 2.555 279 V HA 0.469 4.589 4.120 0.000 0.000 0.302 279 V C -0.642 175.415 176.094 -0.062 0.000 1.038 279 V CA -0.689 61.525 62.300 -0.144 0.000 0.887 279 V CB 1.968 33.569 31.823 -0.371 0.000 0.991 279 V HN 0.525 nan 8.190 nan 0.000 0.434 280 V N 6.369 126.273 119.914 -0.016 0.000 2.350 280 V HA 0.423 4.543 4.120 0.000 0.000 0.285 280 V C -0.220 175.861 176.094 -0.022 0.000 1.014 280 V CA -0.430 61.877 62.300 0.011 0.000 0.831 280 V CB 1.470 33.308 31.823 0.024 0.000 1.000 280 V HN 0.628 nan 8.190 nan 0.000 0.433 281 L N 4.478 125.678 121.223 -0.039 0.000 2.260 281 L HA 0.597 4.937 4.340 0.000 0.000 0.289 281 L C 0.895 177.790 176.870 0.043 0.000 1.057 281 L CA -0.052 54.776 54.840 -0.020 0.000 0.811 281 L CB 1.255 43.283 42.059 -0.051 0.000 1.184 281 L HN 0.729 nan 8.230 nan 0.000 0.429 282 A N 2.784 125.634 122.820 0.050 0.000 2.589 282 A HA 0.629 4.949 4.320 0.000 0.000 0.283 282 A C 0.729 178.359 177.584 0.076 0.000 1.187 282 A CA -0.041 52.044 52.037 0.081 0.000 0.957 282 A CB 0.286 19.319 19.000 0.055 0.000 1.175 282 A HN 0.665 nan 8.150 nan 0.000 0.532 283 A N 0.990 123.844 122.820 0.057 0.000 2.304 283 A HA 0.652 4.972 4.320 0.000 0.000 0.271 283 A C -2.425 175.190 177.584 0.050 0.000 1.091 283 A CA -1.260 50.795 52.037 0.030 0.000 0.812 283 A CB -0.305 18.680 19.000 -0.025 0.000 1.056 283 A HN 0.226 nan 8.150 nan 0.000 0.489 284 P HA 0.169 nan 4.420 nan 0.000 0.270 284 P C 0.907 178.213 177.300 0.010 0.000 1.227 284 P CA 0.652 63.791 63.100 0.065 0.000 0.788 284 P CB 0.488 32.222 31.700 0.056 0.000 0.926 285 A N 2.116 124.980 122.820 0.075 0.000 1.892 285 A HA -0.278 4.042 4.320 0.000 0.000 0.218 285 A C 2.078 179.682 177.584 0.032 0.000 1.188 285 A CA 2.182 54.275 52.037 0.093 0.000 0.631 285 A CB -1.910 17.219 19.000 0.215 0.000 0.822 285 A HN 0.830 nan 8.150 nan 0.000 0.447 286 H N -0.769 118.228 119.070 -0.121 0.000 2.387 286 H HA 0.059 4.615 4.556 0.000 0.000 0.299 286 H C 2.033 177.333 175.328 -0.047 0.000 1.090 286 H CA 1.786 57.780 56.048 -0.091 0.000 1.332 286 H CB -0.744 28.928 29.762 -0.151 0.000 1.386 286 H HN 0.399 nan 8.280 nan 0.000 0.516 287 A N 0.844 123.164 122.820 -0.832 0.000 1.930 287 A HA -0.048 4.272 4.320 0.000 0.000 0.215 287 A C 2.565 180.019 177.584 -0.217 0.000 1.176 287 A CA 1.476 53.176 52.037 -0.561 0.000 0.632 287 A CB -0.828 17.838 19.000 -0.556 0.000 0.819 287 A HN 0.501 nan 8.150 nan 0.000 0.445 288 T N 0.037 114.513 114.554 -0.129 0.000 2.904 288 T HA 0.096 4.446 4.350 0.000 0.000 0.267 288 T C 2.140 176.826 174.700 -0.022 0.000 1.059 288 T CA 1.179 63.257 62.100 -0.037 0.000 1.137 288 T CB -0.243 68.659 68.868 0.056 0.000 0.879 288 T HN 0.538 nan 8.240 nan 0.000 0.467 289 A N 1.649 124.461 122.820 -0.013 0.000 1.898 289 A HA -0.050 4.271 4.320 0.000 0.000 0.216 289 A C 2.192 179.770 177.584 -0.009 0.000 1.181 289 A CA 1.713 53.754 52.037 0.007 0.000 0.620 289 A CB -0.474 18.546 19.000 0.032 0.000 0.819 289 A HN 0.453 nan 8.150 nan 0.000 0.442 290 K N -0.274 120.108 120.400 -0.030 0.000 2.063 290 K HA -0.110 4.210 4.320 0.000 0.000 0.208 290 K C 1.799 178.385 176.600 -0.022 0.000 1.048 290 K CA 1.564 57.836 56.287 -0.025 0.000 0.928 290 K CB -0.302 32.173 32.500 -0.042 0.000 0.713 290 K HN 0.484 nan 8.250 nan 0.000 0.442 291 L N 0.611 121.813 121.223 -0.036 0.000 2.156 291 L HA -0.115 4.225 4.340 0.000 0.000 0.208 291 L C 2.225 179.079 176.870 -0.027 0.000 1.095 291 L CA 0.658 55.478 54.840 -0.033 0.000 0.770 291 L CB -0.159 41.868 42.059 -0.053 0.000 0.914 291 L HN 0.214 nan 8.230 nan 0.000 0.439 292 L N -0.914 120.291 121.223 -0.029 0.000 2.240 292 L HA -0.116 4.224 4.340 0.000 0.000 0.211 292 L C 2.650 179.521 176.870 0.002 0.000 1.106 292 L CA 0.420 55.246 54.840 -0.024 0.000 0.793 292 L CB -0.318 41.724 42.059 -0.028 0.000 0.927 292 L HN 0.175 nan 8.230 nan 0.000 0.446 293 R N 0.807 121.310 120.500 0.006 0.000 2.113 293 R HA -0.190 4.150 4.340 0.000 0.000 0.244 293 R C -0.539 175.773 176.300 0.021 0.000 1.142 293 R CA 2.042 58.150 56.100 0.014 0.000 0.953 293 R CB -1.237 29.071 30.300 0.013 0.000 0.860 293 R HN 0.230 nan 8.270 nan 0.000 0.438 294 P HA -0.090 nan 4.420 nan 0.000 0.223 294 P C 0.527 177.854 177.300 0.045 0.000 1.151 294 P CA 0.800 63.920 63.100 0.033 0.000 0.787 294 P CB 0.162 31.884 31.700 0.037 0.000 0.788 295 L N -1.322 119.935 121.223 0.056 0.000 2.168 295 L HA 0.181 4.521 4.340 0.000 0.000 0.203 295 L C 0.611 177.514 176.870 0.054 0.000 1.078 295 L CA 1.516 56.405 54.840 0.080 0.000 0.780 295 L CB -0.686 41.446 42.059 0.121 0.000 0.939 295 L HN -0.028 nan 8.230 nan 0.000 0.451 296 D N -1.389 119.032 120.400 0.035 0.000 2.452 296 D HA 0.001 4.642 4.640 0.000 0.000 0.226 296 D C 0.125 176.435 176.300 0.016 0.000 1.366 296 D CA -0.051 53.963 54.000 0.023 0.000 0.986 296 D CB 1.269 42.080 40.800 0.019 0.000 1.420 296 D HN 0.013 nan 8.370 nan 0.000 0.583 297 D N 2.545 122.954 120.400 0.016 0.000 2.144 297 D HA -0.112 4.528 4.640 0.000 0.000 0.200 297 D C 1.491 177.799 176.300 0.013 0.000 0.978 297 D CA 0.950 54.959 54.000 0.015 0.000 0.833 297 D CB 0.526 41.335 40.800 0.014 0.000 0.961 297 D HN 0.439 nan 8.370 nan 0.000 0.470 298 A N 0.759 123.585 122.820 0.011 0.000 1.930 298 A HA -0.096 4.224 4.320 0.000 0.000 0.217 298 A C 2.166 179.755 177.584 0.007 0.000 1.175 298 A CA 0.824 52.867 52.037 0.009 0.000 0.627 298 A CB -0.568 18.435 19.000 0.006 0.000 0.815 298 A HN 0.347 nan 8.150 nan 0.000 0.443 299 L N -0.096 121.129 121.223 0.004 0.000 2.005 299 L HA 0.022 4.362 4.340 0.000 0.000 0.207 299 L C 2.628 179.504 176.870 0.010 0.000 1.072 299 L CA 2.259 57.098 54.840 -0.001 0.000 0.744 299 L CB -1.027 41.026 42.059 -0.011 0.000 0.895 299 L HN 0.310 nan 8.230 nan 0.000 0.433 300 A N -0.333 122.495 122.820 0.013 0.000 1.940 300 A HA -0.157 4.163 4.320 0.000 0.000 0.219 300 A C 2.437 180.041 177.584 0.033 0.000 1.176 300 A CA 2.007 54.057 52.037 0.022 0.000 0.631 300 A CB -1.194 17.815 19.000 0.016 0.000 0.814 300 A HN 0.624 nan 8.150 nan 0.000 0.446 301 A N -0.372 122.465 122.820 0.028 0.000 1.898 301 A HA 0.014 4.334 4.320 0.000 0.000 0.216 301 A C 2.161 179.768 177.584 0.038 0.000 1.181 301 A CA 1.376 53.432 52.037 0.032 0.000 0.620 301 A CB -0.538 18.476 19.000 0.024 0.000 0.819 301 A HN 0.475 nan 8.150 nan 0.000 0.442 302 L N -0.496 120.745 121.223 0.031 0.000 1.994 302 L HA -0.185 4.155 4.340 0.000 0.000 0.208 302 L C 2.558 179.464 176.870 0.061 0.000 1.071 302 L CA 1.379 56.237 54.840 0.031 0.000 0.745 302 L CB -0.667 41.398 42.059 0.011 0.000 0.892 302 L HN 0.254 nan 8.230 nan 0.000 0.431 303 V N 0.059 120.021 119.914 0.080 0.000 2.343 303 V HA -0.278 3.842 4.120 0.000 0.000 0.247 303 V C 2.694 178.864 176.094 0.127 0.000 1.051 303 V CA 1.795 64.179 62.300 0.139 0.000 1.036 303 V CB -1.005 30.906 31.823 0.147 0.000 0.654 303 V HN 0.494 nan 8.190 nan 0.000 0.451 304 A N 0.537 123.413 122.820 0.092 0.000 2.070 304 A HA -0.013 4.307 4.320 0.000 0.000 0.220 304 A C 2.212 179.854 177.584 0.096 0.000 1.159 304 A CA 1.514 53.604 52.037 0.089 0.000 0.656 304 A CB -0.832 18.206 19.000 0.064 0.000 0.800 304 A HN 0.566 nan 8.150 nan 0.000 0.453 305 G N -0.609 108.246 108.800 0.091 0.000 2.920 305 G HA2 0.251 4.212 3.960 0.000 0.000 0.208 305 G HA3 0.251 4.212 3.960 0.000 0.000 0.208 305 G C 0.486 175.460 174.900 0.123 0.000 1.159 305 G CA -0.179 44.975 45.100 0.090 0.000 0.784 305 G HN 0.468 nan 8.290 nan 0.000 0.535 306 I N 2.150 122.818 120.570 0.164 0.000 2.421 306 I HA 0.297 4.468 4.170 0.000 0.000 0.291 306 I C 0.905 177.188 176.117 0.277 0.000 1.089 306 I CA -0.633 60.798 61.300 0.218 0.000 1.354 306 I CB 0.971 39.117 38.000 0.242 0.000 1.413 306 I HN 0.035 nan 8.210 nan 0.000 0.513 307 A N 7.037 129.979 122.820 0.204 0.000 2.407 307 A HA 0.450 4.770 4.320 0.000 0.000 0.248 307 A C -0.972 176.755 177.584 0.238 0.000 1.082 307 A CA 0.147 52.307 52.037 0.204 0.000 0.785 307 A CB 0.179 19.244 19.000 0.110 0.000 1.020 307 A HN 0.573 nan 8.150 nan 0.000 0.489 308 Y N -0.242 120.072 120.300 0.023 0.000 2.468 308 Y HA 0.560 5.110 4.550 0.000 0.000 0.342 308 Y C 0.485 176.391 175.900 0.010 0.000 1.021 308 Y CA -0.465 57.642 58.100 0.012 0.000 1.079 308 Y CB 2.135 40.600 38.460 0.009 0.000 1.226 308 Y HN 0.831 nan 8.280 nan 0.000 0.460 309 A N 4.782 127.664 122.820 0.104 0.000 2.288 309 A HA 0.708 5.028 4.320 0.000 0.000 0.320 309 A C -2.830 174.817 177.584 0.105 0.000 1.217 309 A CA -1.971 50.114 52.037 0.080 0.000 0.840 309 A CB 0.349 19.369 19.000 0.034 0.000 1.179 309 A HN 0.431 nan 8.150 nan 0.000 0.504 310 P HA 0.394 nan 4.420 nan 0.000 0.271 310 P C -0.602 176.763 177.300 0.109 0.000 1.218 310 P CA 0.169 63.338 63.100 0.114 0.000 0.780 310 P CB 0.666 32.413 31.700 0.079 0.000 0.901 311 I N 0.822 121.486 120.570 0.157 0.000 2.692 311 I HA 0.663 4.833 4.170 0.000 0.000 0.293 311 I C -1.561 174.677 176.117 0.201 0.000 1.200 311 I CA -0.913 60.476 61.300 0.149 0.000 1.036 311 I CB 1.769 39.843 38.000 0.123 0.000 1.258 311 I HN 0.340 nan 8.210 nan 0.000 0.421 312 A N 6.325 129.219 122.820 0.123 0.000 2.350 312 A HA 0.727 5.047 4.320 0.000 0.000 0.324 312 A C -1.481 176.156 177.584 0.088 0.000 1.118 312 A CA -0.576 51.524 52.037 0.105 0.000 0.783 312 A CB 1.840 20.856 19.000 0.026 0.000 1.236 312 A HN 0.609 nan 8.150 nan 0.000 0.457 313 V N 3.694 123.678 119.914 0.118 0.000 2.370 313 V HA 0.555 4.675 4.120 0.000 0.000 0.283 313 V C -0.818 175.221 176.094 -0.092 0.000 1.023 313 V CA -0.329 61.965 62.300 -0.010 0.000 0.857 313 V CB 1.382 33.196 31.823 -0.015 0.000 0.985 313 V HN 0.663 nan 8.190 nan 0.000 0.443 314 V N 7.528 127.342 119.914 -0.167 0.000 2.328 314 V HA 0.429 4.549 4.120 0.000 0.000 0.278 314 V C -0.355 175.616 176.094 -0.205 0.000 1.021 314 V CA -0.561 61.648 62.300 -0.152 0.000 0.838 314 V CB 0.817 32.579 31.823 -0.102 0.000 0.999 314 V HN 0.981 nan 8.190 nan 0.000 0.447 315 H N 4.967 124.018 119.070 -0.032 0.000 2.580 315 H HA 0.619 5.176 4.556 0.000 0.000 0.322 315 H C -0.442 174.799 175.328 -0.145 0.000 1.082 315 H CA -0.228 55.808 56.048 -0.020 0.000 1.383 315 H CB 0.949 30.745 29.762 0.056 0.000 1.450 315 H HN 0.496 nan 8.280 nan 0.000 0.505 316 L N 3.074 124.338 121.223 0.069 0.000 2.342 316 L HA 0.444 4.784 4.340 0.000 0.000 0.276 316 L C 0.584 177.441 176.870 -0.023 0.000 0.997 316 L CA -0.737 54.056 54.840 -0.079 0.000 0.838 316 L CB 1.747 43.777 42.059 -0.049 0.000 1.224 316 L HN 0.727 nan 8.230 nan 0.000 0.416 317 G N 2.197 110.937 108.800 -0.100 0.000 2.367 317 G HA2 0.692 4.652 3.960 0.000 0.000 0.314 317 G HA3 0.692 4.652 3.960 0.000 0.000 0.314 317 G C -1.217 173.597 174.900 -0.142 0.000 1.130 317 G CA -0.186 44.933 45.100 0.030 0.000 0.864 317 G HN 0.272 nan 8.290 nan 0.000 0.486 318 F N 0.203 120.347 119.950 0.323 0.000 2.540 318 F HA 0.292 4.820 4.527 0.000 0.000 0.317 318 F C 0.013 175.935 175.800 0.203 0.000 1.104 318 F CA -1.016 57.116 58.000 0.219 0.000 0.913 318 F CB 2.168 41.269 39.000 0.169 0.000 1.170 318 F HN 0.256 nan 8.300 nan 0.000 0.450 319 D N 1.975 122.552 120.400 0.295 0.000 2.455 319 D HA 0.248 4.888 4.640 0.000 0.000 0.241 319 D C 0.104 176.505 176.300 0.167 0.000 1.138 319 D CA 0.217 54.327 54.000 0.182 0.000 0.877 319 D CB 1.197 42.073 40.800 0.127 0.000 1.187 319 D HN 0.672 nan 8.370 nan 0.000 0.451 320 A N 1.574 124.460 122.820 0.109 0.000 2.580 320 A HA 0.390 4.710 4.320 0.000 0.000 0.244 320 A C 1.522 179.147 177.584 0.069 0.000 1.045 320 A CA 0.795 52.880 52.037 0.080 0.000 0.761 320 A CB -0.245 18.782 19.000 0.044 0.000 0.962 320 A HN 0.844 nan 8.150 nan 0.000 0.512 321 G N 1.517 110.352 108.800 0.059 0.000 2.258 321 G HA2 -0.307 3.654 3.960 0.000 0.000 0.233 321 G HA3 -0.307 3.654 3.960 0.000 0.000 0.233 321 G C 1.223 176.150 174.900 0.044 0.000 1.006 321 G CA 1.002 46.127 45.100 0.042 0.000 0.620 321 G HN 1.930 nan 8.290 nan 0.000 0.511 322 T N -0.789 113.810 114.554 0.075 0.000 2.951 322 T HA 0.427 4.777 4.350 0.000 0.000 0.268 322 T C 0.794 175.510 174.700 0.027 0.000 1.073 322 T CA 1.759 63.907 62.100 0.080 0.000 1.134 322 T CB -0.151 68.812 68.868 0.159 0.000 0.884 322 T HN 1.615 nan 8.240 nan 0.000 0.479 323 L N -2.147 119.071 121.223 -0.008 0.000 2.479 323 L HA 0.821 5.162 4.340 0.000 0.000 0.255 323 L C -3.131 173.708 176.870 -0.052 0.000 1.026 323 L CA -2.430 52.362 54.840 -0.081 0.000 0.842 323 L CB 0.112 42.029 42.059 -0.236 0.000 1.444 323 L HN -0.307 nan 8.230 nan 0.000 0.409 324 P HA 0.402 nan 4.420 nan 0.000 0.274 324 P C -0.764 176.498 177.300 -0.065 0.000 1.237 324 P CA -0.308 62.762 63.100 -0.049 0.000 0.793 324 P CB 0.867 32.537 31.700 -0.051 0.000 0.977 325 A N 3.619 126.402 122.820 -0.062 0.000 2.515 325 A HA 0.307 4.627 4.320 0.000 0.000 0.263 325 A C -1.650 175.835 177.584 -0.165 0.000 1.096 325 A CA -0.901 51.075 52.037 -0.103 0.000 0.769 325 A CB -1.289 17.668 19.000 -0.072 0.000 1.040 325 A HN 0.419 nan 8.150 nan 0.000 0.505 326 P HA 0.113 nan 4.420 nan 0.000 0.271 326 P C -0.546 176.555 177.300 -0.331 0.000 1.220 326 P CA -0.063 62.779 63.100 -0.431 0.000 0.768 326 P CB 0.654 31.761 31.700 -0.988 0.000 0.848 327 D N 1.825 122.145 120.400 -0.133 0.000 2.372 327 D HA 0.429 5.070 4.640 0.000 0.000 0.243 327 D C 0.690 177.152 176.300 0.269 0.000 1.121 327 D CA 1.152 55.179 54.000 0.046 0.000 0.898 327 D CB 0.331 41.189 40.800 0.097 0.000 1.202 327 D HN 0.728 nan 8.370 nan 0.000 0.428 328 G N 1.937 110.922 108.800 0.309 0.000 2.712 328 G HA2 -0.265 3.695 3.960 0.000 0.000 0.683 328 G HA3 -0.265 3.695 3.960 0.000 0.000 0.683 328 G C 0.119 175.232 174.900 0.355 0.000 1.320 328 G CA -0.225 45.116 45.100 0.401 0.000 0.847 328 G HN 0.551 nan 8.290 nan 0.000 0.553 329 F N 1.530 121.534 119.950 0.089 0.000 2.234 329 F HA 0.387 4.915 4.527 0.000 0.000 0.299 329 F C 1.630 177.354 175.800 -0.126 0.000 1.087 329 F CA 2.851 60.828 58.000 -0.038 0.000 1.340 329 F CB -0.109 38.839 39.000 -0.086 0.000 1.031 329 F HN 1.794 nan 8.300 nan 0.000 0.500 330 G N -1.251 107.308 108.800 -0.402 0.000 2.351 330 G HA2 0.330 4.290 3.960 0.000 0.000 0.279 330 G HA3 0.330 4.290 3.960 0.000 0.000 0.279 330 G C -1.700 173.026 174.900 -0.290 0.000 1.297 330 G CA -0.443 44.078 45.100 -0.965 0.000 0.886 330 G HN 0.555 nan 8.290 nan 0.000 0.493 331 F N -1.325 118.439 119.950 -0.309 0.000 2.629 331 F HA 0.932 5.459 4.527 0.000 0.000 0.316 331 F C -1.200 174.601 175.800 0.002 0.000 1.081 331 F CA -1.500 56.485 58.000 -0.026 0.000 0.954 331 F CB 1.590 40.624 39.000 0.057 0.000 1.337 331 F HN 0.524 nan 8.300 nan 0.000 0.474 332 L N 2.142 123.543 121.223 0.297 0.000 2.388 332 L HA 0.791 5.131 4.340 0.000 0.000 0.264 332 L C -1.322 175.736 176.870 0.313 0.000 0.998 332 L CA -1.368 53.577 54.840 0.176 0.000 0.817 332 L CB 2.276 44.409 42.059 0.123 0.000 1.338 332 L HN 0.751 nan 8.230 nan 0.000 0.414 333 V N 3.638 123.691 119.914 0.232 0.000 2.483 333 V HA 0.567 4.687 4.120 0.000 0.000 0.297 333 V C -2.374 173.818 176.094 0.165 0.000 1.027 333 V CA -1.933 60.515 62.300 0.247 0.000 0.855 333 V CB 2.210 34.180 31.823 0.244 0.000 0.995 333 V HN 0.509 nan 8.190 nan 0.000 0.424 334 P HA 0.234 nan 4.420 nan 0.000 0.269 334 P C 0.572 177.936 177.300 0.107 0.000 1.215 334 P CA 0.264 63.437 63.100 0.121 0.000 0.780 334 P CB 0.998 32.769 31.700 0.117 0.000 0.898 335 A N 2.705 125.576 122.820 0.084 0.000 2.019 335 A HA -0.196 4.124 4.320 0.000 0.000 0.219 335 A C 1.792 179.418 177.584 0.070 0.000 1.164 335 A CA 1.625 53.704 52.037 0.070 0.000 0.644 335 A CB -1.073 17.962 19.000 0.058 0.000 0.805 335 A HN 0.743 nan 8.150 nan 0.000 0.449 336 E N -0.363 119.882 120.200 0.076 0.000 2.409 336 E HA -0.144 4.206 4.350 0.000 0.000 0.198 336 E C 1.031 177.680 176.600 0.083 0.000 1.024 336 E CA 0.922 57.366 56.400 0.073 0.000 0.861 336 E CB -0.138 29.604 29.700 0.071 0.000 0.788 336 E HN 0.502 nan 8.360 nan 0.000 0.521 337 E N 1.050 121.313 120.200 0.106 0.000 2.358 337 E HA -0.091 4.259 4.350 0.000 0.000 0.195 337 E C 0.016 176.672 176.600 0.094 0.000 1.010 337 E CA 0.398 56.878 56.400 0.133 0.000 0.856 337 E CB -0.027 29.805 29.700 0.219 0.000 0.795 337 E HN 0.403 nan 8.360 nan 0.000 0.504 338 Q N 0.651 120.492 119.800 0.070 0.000 2.460 338 Q HA -0.178 4.162 4.340 0.000 0.000 0.311 338 Q C -0.274 175.745 176.000 0.032 0.000 1.396 338 Q CA 0.543 56.375 55.803 0.047 0.000 0.838 338 Q CB -0.863 27.901 28.738 0.043 0.000 1.140 338 Q HN -0.004 nan 8.270 nan 0.000 0.415 339 R N 0.008 120.525 120.500 0.029 0.000 2.828 339 R HA 0.445 4.785 4.340 0.000 0.000 0.264 339 R C 0.974 177.278 176.300 0.008 0.000 1.022 339 R CA -0.837 55.266 56.100 0.004 0.000 1.021 339 R CB 0.624 30.915 30.300 -0.015 0.000 1.163 339 R HN 0.248 nan 8.270 nan 0.000 0.494 340 R N -0.023 120.475 120.500 -0.003 0.000 2.334 340 R HA 0.316 4.657 4.340 0.000 0.000 0.216 340 R C 0.314 176.614 176.300 -0.000 0.000 0.905 340 R CA 0.161 56.261 56.100 -0.001 0.000 1.064 340 R CB 0.504 30.799 30.300 -0.008 0.000 1.046 340 R HN 0.294 nan 8.270 nan 0.000 0.508 341 M N 0.525 120.129 119.600 0.005 0.000 2.465 341 M HA 0.268 4.749 4.480 0.000 0.000 0.316 341 M C 0.066 176.375 176.300 0.016 0.000 1.121 341 M CA -0.490 54.813 55.300 0.006 0.000 0.934 341 M CB 1.929 34.538 32.600 0.016 0.000 1.692 341 M HN -0.023 nan 8.290 nan 0.000 0.444 342 L N 2.163 123.380 121.223 -0.010 0.000 2.307 342 L HA 0.447 4.787 4.340 0.000 0.000 0.211 342 L C 0.957 177.800 176.870 -0.044 0.000 1.099 342 L CA 0.363 55.199 54.840 -0.007 0.000 0.816 342 L CB -0.170 41.880 42.059 -0.014 0.000 0.952 342 L HN 0.904 nan 8.230 nan 0.000 0.455 343 G N -0.786 107.916 108.800 -0.164 0.000 2.359 343 G HA2 0.491 4.451 3.960 0.000 0.000 0.293 343 G HA3 0.491 4.451 3.960 0.000 0.000 0.293 343 G C -2.154 172.367 174.900 -0.631 0.000 1.300 343 G CA -0.157 44.657 45.100 -0.477 0.000 0.888 343 G HN 0.175 nan 8.290 nan 0.000 0.541 344 A N -0.785 121.448 122.820 -0.978 0.000 2.547 344 A HA 0.777 5.097 4.320 0.000 0.000 0.297 344 A C -0.943 176.269 177.584 -0.620 0.000 1.056 344 A CA -0.563 51.110 52.037 -0.607 0.000 0.688 344 A CB 1.157 19.953 19.000 -0.340 0.000 1.282 344 A HN 1.215 nan 8.150 nan 0.000 0.400 345 I N 2.390 122.686 120.570 -0.457 0.000 2.315 345 I HA 0.318 4.488 4.170 0.000 0.000 0.291 345 I C 0.600 176.595 176.117 -0.204 0.000 1.006 345 I CA -0.350 60.631 61.300 -0.531 0.000 1.265 345 I CB 0.429 38.109 38.000 -0.532 0.000 1.387 345 I HN 0.913 nan 8.210 nan 0.000 0.475 346 H N 3.292 122.081 119.070 -0.468 0.000 2.684 346 H HA -0.291 4.265 4.556 0.000 0.000 0.309 346 H C 1.602 176.743 175.328 -0.312 0.000 1.102 346 H CA 0.080 55.863 56.048 -0.442 0.000 1.147 346 H CB -0.694 28.847 29.762 -0.367 0.000 1.391 346 H HN 0.880 nan 8.280 nan 0.000 0.398 347 A N 0.808 123.571 122.820 -0.095 0.000 1.902 347 A HA -0.219 4.101 4.320 0.000 0.000 0.217 347 A C 2.424 180.006 177.584 -0.003 0.000 1.181 347 A CA 1.924 53.961 52.037 -0.000 0.000 0.623 347 A CB -0.493 18.567 19.000 0.100 0.000 0.818 347 A HN 0.617 nan 8.150 nan 0.000 0.443 348 S N -1.516 114.177 115.700 -0.011 0.000 2.436 348 S HA -0.086 4.384 4.470 0.000 0.000 0.228 348 S C 1.795 176.355 174.600 -0.067 0.000 1.014 348 S CA 1.574 59.771 58.200 -0.006 0.000 0.950 348 S CB -0.859 62.382 63.200 0.069 0.000 0.784 348 S HN 0.457 nan 8.310 nan 0.000 0.504 349 T N 2.540 117.031 114.554 -0.106 0.000 2.737 349 T HA -0.048 4.302 4.350 0.000 0.000 0.265 349 T C 1.978 176.599 174.700 -0.131 0.000 1.038 349 T CA 1.927 63.965 62.100 -0.103 0.000 1.144 349 T CB -0.895 67.905 68.868 -0.113 0.000 0.866 349 T HN 0.568 nan 8.240 nan 0.000 0.434 350 T N 1.084 115.512 114.554 -0.210 0.000 2.708 350 T HA 0.033 4.384 4.350 0.000 0.000 0.266 350 T C 0.346 174.627 174.700 -0.699 0.000 1.037 350 T CA 0.958 62.782 62.100 -0.459 0.000 1.146 350 T CB -0.272 68.272 68.868 -0.541 0.000 0.865 350 T HN 0.354 nan 8.240 nan 0.000 0.435 351 F N 0.718 120.564 119.950 -0.174 0.000 2.552 351 F HA 0.351 4.879 4.527 0.000 0.000 0.369 351 F C -2.218 173.231 175.800 -0.586 0.000 1.112 351 F CA -2.448 55.234 58.000 -0.529 0.000 1.129 351 F CB 1.972 40.520 39.000 -0.754 0.000 1.360 351 F HN -0.061 nan 8.300 nan 0.000 0.473 352 P HA -0.168 nan 4.420 nan 0.000 0.220 352 P C 1.485 178.770 177.300 -0.025 0.000 1.148 352 P CA 1.162 64.228 63.100 -0.057 0.000 0.803 352 P CB -0.162 31.565 31.700 0.046 0.000 0.782 353 F N -1.099 118.930 119.950 0.132 0.000 2.604 353 F HA 0.099 4.626 4.527 0.000 0.000 0.298 353 F C 1.664 177.520 175.800 0.093 0.000 1.131 353 F CA 0.376 58.432 58.000 0.093 0.000 1.457 353 F CB -1.157 37.891 39.000 0.081 0.000 1.095 353 F HN -0.254 nan 8.300 nan 0.000 0.574 354 R N 0.804 121.227 120.500 -0.128 0.000 2.320 354 R HA 0.470 4.810 4.340 0.000 0.000 0.211 354 R C -0.165 176.194 176.300 0.099 0.000 0.931 354 R CA 0.399 56.515 56.100 0.027 0.000 1.071 354 R CB 0.155 30.433 30.300 -0.037 0.000 1.025 354 R HN 0.326 nan 8.270 nan 0.000 0.495 355 A N 1.086 123.939 122.820 0.055 0.000 2.427 355 A HA 0.375 4.695 4.320 0.000 0.000 0.298 355 A C -1.041 176.502 177.584 -0.068 0.000 1.036 355 A CA -0.754 51.277 52.037 -0.010 0.000 0.701 355 A CB 1.293 20.358 19.000 0.109 0.000 1.250 355 A HN 0.112 nan 8.150 nan 0.000 0.412 356 E N 0.540 120.638 120.200 -0.170 0.000 2.242 356 E HA 0.511 4.861 4.350 0.000 0.000 0.275 356 E C 0.787 177.317 176.600 -0.116 0.000 1.002 356 E CA 0.009 56.343 56.400 -0.110 0.000 0.841 356 E CB 1.238 30.871 29.700 -0.112 0.000 1.109 356 E HN 1.597 nan 8.360 nan 0.000 0.394 357 G N 1.706 110.472 108.800 -0.057 0.000 2.273 357 G HA2 -0.239 3.722 3.960 0.000 0.000 0.280 357 G HA3 -0.239 3.722 3.960 0.000 0.000 0.280 357 G C 0.866 175.749 174.900 -0.028 0.000 1.047 357 G CA 0.604 45.679 45.100 -0.041 0.000 0.869 357 G HN 1.142 nan 8.290 nan 0.000 0.502 358 G N -1.636 107.157 108.800 -0.012 0.000 2.184 358 G HA2 -0.297 3.663 3.960 0.000 0.000 0.264 358 G HA3 -0.297 3.663 3.960 0.000 0.000 0.264 358 G C 0.565 175.488 174.900 0.038 0.000 0.975 358 G CA 0.922 46.030 45.100 0.013 0.000 0.642 358 G HN 1.104 nan 8.290 nan 0.000 0.536 359 R N -0.301 120.208 120.500 0.014 0.000 2.537 359 R HA 0.428 4.768 4.340 0.000 0.000 0.280 359 R C 0.100 176.547 176.300 0.246 0.000 1.058 359 R CA -0.142 56.015 56.100 0.095 0.000 1.057 359 R CB 1.153 31.378 30.300 -0.126 0.000 0.973 359 R HN 0.090 nan 8.270 nan 0.000 0.438 360 V N 5.070 125.202 119.914 0.364 0.000 2.370 360 V HA 0.243 4.363 4.120 0.000 0.000 0.283 360 V C -0.550 175.843 176.094 0.499 0.000 1.023 360 V CA -0.702 61.806 62.300 0.347 0.000 0.857 360 V CB 1.345 33.314 31.823 0.243 0.000 0.985 360 V HN 0.453 nan 8.190 nan 0.000 0.443 361 L N 6.399 127.821 121.223 0.332 0.000 2.305 361 L HA 0.614 4.954 4.340 0.000 0.000 0.284 361 L C -1.180 175.808 176.870 0.197 0.000 1.013 361 L CA -0.077 54.908 54.840 0.240 0.000 0.819 361 L CB 1.226 43.322 42.059 0.063 0.000 1.227 361 L HN 0.519 nan 8.230 nan 0.000 0.417 362 Y N 2.562 122.978 120.300 0.194 0.000 2.342 362 Y HA 0.542 5.092 4.550 0.000 0.000 0.334 362 Y C 0.314 176.268 175.900 0.089 0.000 1.067 362 Y CA -0.455 57.736 58.100 0.151 0.000 1.128 362 Y CB 1.998 40.575 38.460 0.196 0.000 1.200 362 Y HN 0.527 nan 8.280 nan 0.000 0.464 363 S N 2.679 118.459 115.700 0.134 0.000 2.601 363 S HA 0.390 4.860 4.470 0.000 0.000 0.312 363 S C -0.894 173.637 174.600 -0.116 0.000 1.107 363 S CA -0.668 57.502 58.200 -0.050 0.000 1.129 363 S CB -0.088 63.104 63.200 -0.013 0.000 0.982 363 S HN 0.613 nan 8.310 nan 0.000 0.469 364 C N 4.875 124.104 119.300 -0.119 0.000 2.388 364 C HA 0.577 5.037 4.460 0.000 0.000 0.362 364 C C 0.305 175.222 174.990 -0.121 0.000 1.266 364 C CA -0.984 57.969 59.018 -0.109 0.000 2.028 364 C CB -0.090 27.620 27.740 -0.051 0.000 2.440 364 C HN 0.658 nan 8.230 nan 0.000 0.547 365 M N 3.277 122.807 119.600 -0.116 0.000 2.268 365 M HA 0.565 5.045 4.480 0.000 0.000 0.344 365 M C -0.697 175.577 176.300 -0.044 0.000 1.106 365 M CA -0.244 55.014 55.300 -0.071 0.000 1.010 365 M CB 1.258 33.814 32.600 -0.075 0.000 1.649 365 M HN 0.387 nan 8.290 nan 0.000 0.443 366 V N 1.605 121.511 119.914 -0.014 0.000 2.709 366 V HA 0.924 5.044 4.120 0.000 0.000 0.308 366 V C 0.493 176.596 176.094 0.016 0.000 1.062 366 V CA 0.170 62.467 62.300 -0.005 0.000 0.901 366 V CB 1.583 33.398 31.823 -0.013 0.000 1.003 366 V HN 1.138 nan 8.190 nan 0.000 0.425 367 G N 2.848 111.658 108.800 0.016 0.000 2.713 367 G HA2 0.471 4.431 3.960 0.000 0.000 0.215 367 G HA3 0.471 4.431 3.960 0.000 0.000 0.215 367 G C 0.568 175.485 174.900 0.029 0.000 1.265 367 G CA 0.253 45.368 45.100 0.026 0.000 1.204 367 G HN 2.539 nan 8.290 nan 0.000 0.545 368 G N -1.032 107.790 108.800 0.036 0.000 2.760 368 G HA2 0.343 4.303 3.960 0.000 0.000 0.246 368 G HA3 0.343 4.303 3.960 0.000 0.000 0.246 368 G C 1.252 176.173 174.900 0.035 0.000 1.359 368 G CA 1.502 46.623 45.100 0.034 0.000 0.861 368 G HN 2.364 nan 8.290 nan 0.000 0.541 369 A N -0.487 122.352 122.820 0.031 0.000 1.933 369 A HA -0.008 4.312 4.320 0.000 0.000 0.218 369 A C 2.367 179.968 177.584 0.029 0.000 1.175 369 A CA 2.242 54.296 52.037 0.029 0.000 0.628 369 A CB -0.269 18.743 19.000 0.021 0.000 0.814 369 A HN 0.722 nan 8.150 nan 0.000 0.444 370 R N -0.822 119.696 120.500 0.029 0.000 2.275 370 R HA 0.051 4.391 4.340 0.000 0.000 0.199 370 R C -0.009 176.307 176.300 0.026 0.000 0.989 370 R CA 0.747 56.865 56.100 0.029 0.000 1.016 370 R CB 0.116 30.435 30.300 0.031 0.000 0.918 370 R HN 0.652 nan 8.270 nan 0.000 0.473 371 Q N 0.037 119.852 119.800 0.026 0.000 2.805 371 Q HA 0.179 4.519 4.340 0.000 0.000 0.360 371 Q C -2.213 173.800 176.000 0.023 0.000 0.832 371 Q CA -1.314 54.502 55.803 0.022 0.000 1.020 371 Q CB 1.486 30.235 28.738 0.019 0.000 1.444 371 Q HN 0.038 nan 8.270 nan 0.000 0.391 372 P HA -0.125 nan 4.420 nan 0.000 0.223 372 P C 1.291 178.604 177.300 0.021 0.000 1.151 372 P CA 1.112 64.229 63.100 0.029 0.000 0.787 372 P CB 0.210 31.929 31.700 0.032 0.000 0.788 373 G N 0.596 109.405 108.800 0.015 0.000 2.470 373 G HA2 -0.175 3.785 3.960 0.000 0.000 0.220 373 G HA3 -0.175 3.785 3.960 0.000 0.000 0.220 373 G C 1.577 176.479 174.900 0.003 0.000 1.121 373 G CA 0.239 45.343 45.100 0.008 0.000 0.766 373 G HN 0.239 nan 8.290 nan 0.000 0.553 374 L N 0.439 121.665 121.223 0.005 0.000 2.191 374 L HA -0.057 4.283 4.340 0.000 0.000 0.212 374 L C 2.684 179.552 176.870 -0.004 0.000 1.103 374 L CA 0.239 55.078 54.840 -0.001 0.000 0.769 374 L CB -0.267 41.792 42.059 0.000 0.000 0.908 374 L HN 0.085 nan 8.230 nan 0.000 0.438 375 V N -0.643 119.274 119.914 0.005 0.000 2.871 375 V HA -0.160 3.960 4.120 0.000 0.000 0.256 375 V C 1.974 178.062 176.094 -0.009 0.000 1.082 375 V CA 1.164 63.467 62.300 0.006 0.000 1.105 375 V CB -0.421 31.421 31.823 0.031 0.000 0.713 375 V HN 0.438 nan 8.190 nan 0.000 0.473 376 E N -0.190 120.005 120.200 -0.009 0.000 2.482 376 E HA -0.035 4.315 4.350 0.000 0.000 0.196 376 E C 0.818 177.403 176.600 -0.025 0.000 1.047 376 E CA -0.009 56.381 56.400 -0.016 0.000 0.869 376 E CB 0.075 29.769 29.700 -0.011 0.000 0.836 376 E HN 0.694 nan 8.360 nan 0.000 0.520 377 Q N 1.432 121.216 119.800 -0.027 0.000 2.368 377 Q HA 0.071 4.411 4.340 0.000 0.000 0.237 377 Q C -0.217 175.755 176.000 -0.047 0.000 0.987 377 Q CA -0.361 55.422 55.803 -0.033 0.000 0.896 377 Q CB 0.672 29.391 28.738 -0.031 0.000 1.241 377 Q HN 0.137 nan 8.270 nan 0.000 0.485 378 D N -0.831 119.538 120.400 -0.051 0.000 2.377 378 D HA -0.027 4.613 4.640 0.000 0.000 0.245 378 D C 0.238 176.492 176.300 -0.077 0.000 1.196 378 D CA -0.223 53.739 54.000 -0.064 0.000 0.962 378 D CB 0.645 41.410 40.800 -0.060 0.000 1.127 378 D HN 0.460 nan 8.370 nan 0.000 0.471 379 E N -0.399 119.743 120.200 -0.096 0.000 2.106 379 E HA -0.164 4.186 4.350 0.000 0.000 0.192 379 E C 1.013 177.548 176.600 -0.108 0.000 0.984 379 E CA 1.112 57.442 56.400 -0.118 0.000 0.806 379 E CB -0.090 29.518 29.700 -0.152 0.000 0.750 379 E HN 0.493 nan 8.360 nan 0.000 0.458 380 D N 0.759 121.103 120.400 -0.093 0.000 2.117 380 D HA -0.126 4.514 4.640 0.000 0.000 0.197 380 D C 1.869 178.127 176.300 -0.070 0.000 0.987 380 D CA 1.437 55.387 54.000 -0.083 0.000 0.829 380 D CB -0.169 40.589 40.800 -0.069 0.000 0.961 380 D HN 0.185 nan 8.370 nan 0.000 0.460 381 A N -0.012 122.771 122.820 -0.062 0.000 1.929 381 A HA -0.049 4.272 4.320 0.000 0.000 0.216 381 A C 2.215 179.768 177.584 -0.052 0.000 1.176 381 A CA 0.731 52.737 52.037 -0.051 0.000 0.628 381 A CB -0.621 18.354 19.000 -0.043 0.000 0.816 381 A HN 0.204 nan 8.150 nan 0.000 0.444 382 L N -0.879 120.308 121.223 -0.061 0.000 2.156 382 L HA -0.129 4.211 4.340 0.000 0.000 0.208 382 L C 3.017 179.846 176.870 -0.069 0.000 1.095 382 L CA 0.888 55.692 54.840 -0.061 0.000 0.770 382 L CB -0.373 41.647 42.059 -0.066 0.000 0.914 382 L HN 0.429 nan 8.230 nan 0.000 0.439 383 A N -0.134 122.635 122.820 -0.084 0.000 1.930 383 A HA -0.094 4.226 4.320 0.000 0.000 0.217 383 A C 2.507 180.048 177.584 -0.072 0.000 1.175 383 A CA 1.483 53.464 52.037 -0.093 0.000 0.627 383 A CB -0.567 18.360 19.000 -0.121 0.000 0.815 383 A HN 0.374 nan 8.150 nan 0.000 0.443 384 A N -0.183 122.600 122.820 -0.061 0.000 1.898 384 A HA -0.030 4.290 4.320 0.000 0.000 0.216 384 A C 2.197 179.757 177.584 -0.039 0.000 1.181 384 A CA 1.438 53.446 52.037 -0.047 0.000 0.620 384 A CB -0.661 18.313 19.000 -0.043 0.000 0.819 384 A HN 0.631 nan 8.150 nan 0.000 0.442 385 L N -0.449 120.751 121.223 -0.039 0.000 1.989 385 L HA -0.189 4.151 4.340 0.000 0.000 0.211 385 L C 2.789 179.641 176.870 -0.030 0.000 1.071 385 L CA 1.882 56.703 54.840 -0.032 0.000 0.749 385 L CB -0.420 41.621 42.059 -0.030 0.000 0.890 385 L HN 0.374 nan 8.230 nan 0.000 0.431 386 A N -0.121 122.678 122.820 -0.035 0.000 1.940 386 A HA -0.243 4.077 4.320 0.000 0.000 0.219 386 A C 2.316 179.886 177.584 -0.023 0.000 1.176 386 A CA 1.910 53.930 52.037 -0.028 0.000 0.631 386 A CB -0.604 18.371 19.000 -0.041 0.000 0.814 386 A HN 0.539 nan 8.150 nan 0.000 0.446 387 R N -0.622 119.860 120.500 -0.030 0.000 2.090 387 R HA -0.085 4.256 4.340 0.000 0.000 0.228 387 R C 2.132 178.416 176.300 -0.026 0.000 1.110 387 R CA 1.409 57.496 56.100 -0.022 0.000 0.973 387 R CB -0.293 29.995 30.300 -0.021 0.000 0.869 387 R HN 0.686 nan 8.270 nan 0.000 0.440 388 E N 0.429 120.612 120.200 -0.028 0.000 2.051 388 E HA -0.169 4.182 4.350 0.000 0.000 0.192 388 E C 1.984 178.561 176.600 -0.040 0.000 0.991 388 E CA 0.903 57.284 56.400 -0.032 0.000 0.799 388 E CB 0.103 29.785 29.700 -0.029 0.000 0.748 388 E HN 0.247 nan 8.360 nan 0.000 0.449 389 E N 0.673 120.853 120.200 -0.034 0.000 2.077 389 E HA -0.170 4.180 4.350 0.000 0.000 0.193 389 E C 2.185 178.766 176.600 -0.032 0.000 0.989 389 E CA 0.588 56.965 56.400 -0.039 0.000 0.800 389 E CB -0.245 29.447 29.700 -0.014 0.000 0.746 389 E HN 0.140 nan 8.360 nan 0.000 0.452 390 L N 1.598 122.820 121.223 -0.002 0.000 2.191 390 L HA -0.142 4.198 4.340 0.000 0.000 0.212 390 L C 2.307 179.135 176.870 -0.069 0.000 1.103 390 L CA 1.511 56.353 54.840 0.003 0.000 0.769 390 L CB -0.227 41.806 42.059 -0.044 0.000 0.908 390 L HN -0.009 nan 8.230 nan 0.000 0.438 391 K N -0.918 119.441 120.400 -0.068 0.000 2.007 391 K HA -0.113 4.208 4.320 0.000 0.000 0.206 391 K C 2.004 178.557 176.600 -0.078 0.000 1.047 391 K CA 1.184 57.429 56.287 -0.071 0.000 0.937 391 K CB -0.144 32.327 32.500 -0.050 0.000 0.718 391 K HN 0.342 nan 8.250 nan 0.000 0.438 392 A N 1.199 123.967 122.820 -0.086 0.000 1.930 392 A HA -0.079 4.242 4.320 0.000 0.000 0.217 392 A C 2.065 179.554 177.584 -0.159 0.000 1.175 392 A CA 1.256 53.233 52.037 -0.100 0.000 0.627 392 A CB -0.374 18.564 19.000 -0.104 0.000 0.815 392 A HN 0.318 nan 8.150 nan 0.000 0.443 393 L N -2.220 118.852 121.223 -0.253 0.000 2.253 393 L HA 0.173 4.514 4.340 0.000 0.000 0.205 393 L C 2.550 179.251 176.870 -0.283 0.000 1.078 393 L CA 0.865 55.447 54.840 -0.430 0.000 0.805 393 L CB -0.182 41.506 42.059 -0.618 0.000 0.963 393 L HN 0.348 nan 8.230 nan 0.000 0.459 394 A N -0.598 122.077 122.820 -0.242 0.000 2.288 394 A HA 0.435 4.756 4.320 0.000 0.000 0.216 394 A C 1.589 179.100 177.584 -0.120 0.000 1.199 394 A CA 0.596 52.505 52.037 -0.212 0.000 0.891 394 A CB 0.162 19.087 19.000 -0.124 0.000 0.923 394 A HN 0.417 nan 8.150 nan 0.000 0.500 395 G N -0.574 108.166 108.800 -0.101 0.000 2.160 395 G HA2 -0.172 3.788 3.960 0.000 0.000 0.244 395 G HA3 -0.172 3.788 3.960 0.000 0.000 0.244 395 G C 0.051 174.895 174.900 -0.095 0.000 1.022 395 G CA 0.159 45.211 45.100 -0.080 0.000 0.741 395 G HN 0.818 nan 8.290 nan 0.000 0.508 396 V N 1.567 121.407 119.914 -0.122 0.000 2.389 396 V HA 0.451 4.572 4.120 0.000 0.000 0.264 396 V C 1.586 177.614 176.094 -0.110 0.000 1.049 396 V CA 0.905 63.101 62.300 -0.172 0.000 0.932 396 V CB 0.878 32.520 31.823 -0.302 0.000 1.011 396 V HN 0.681 nan 8.190 nan 0.000 0.475 397 T N 1.563 116.066 114.554 -0.085 0.000 2.990 397 T HA 0.313 4.663 4.350 0.000 0.000 0.249 397 T C 0.944 175.647 174.700 0.006 0.000 1.039 397 T CA 0.498 62.577 62.100 -0.034 0.000 1.036 397 T CB 0.302 69.153 68.868 -0.029 0.000 0.994 397 T HN 0.710 nan 8.240 nan 0.000 0.489 398 A N 2.304 125.127 122.820 0.004 0.000 2.507 398 A HA 0.427 4.747 4.320 0.000 0.000 0.235 398 A C 0.411 178.150 177.584 0.258 0.000 1.070 398 A CA -0.381 51.718 52.037 0.104 0.000 0.768 398 A CB 0.105 19.147 19.000 0.070 0.000 1.011 398 A HN 0.466 nan 8.150 nan 0.000 0.502 399 R N 1.963 122.591 120.500 0.214 0.000 2.254 399 R HA 0.329 4.669 4.340 0.000 0.000 0.318 399 R C -2.504 173.851 176.300 0.092 0.000 1.031 399 R CA -1.514 54.669 56.100 0.140 0.000 0.905 399 R CB 0.695 31.030 30.300 0.059 0.000 1.050 399 R HN 0.569 nan 8.270 nan 0.000 0.456 400 P HA 0.038 nan 4.420 nan 0.000 0.275 400 P C 0.126 177.269 177.300 -0.261 0.000 1.228 400 P CA -0.209 62.485 63.100 -0.676 0.000 0.786 400 P CB 1.049 32.244 31.700 -0.843 0.000 0.927 401 S N 1.080 116.681 115.700 -0.165 0.000 2.540 401 S HA 0.248 4.718 4.470 0.000 0.000 0.218 401 S C 0.035 174.704 174.600 0.116 0.000 0.977 401 S CA -0.267 57.938 58.200 0.009 0.000 0.918 401 S CB -0.433 62.811 63.200 0.074 0.000 0.806 401 S HN 0.460 nan 8.310 nan 0.000 0.496 402 F N 1.458 121.329 119.950 -0.132 0.000 2.591 402 F HA 0.657 5.184 4.527 0.000 0.000 0.309 402 F C -1.516 174.188 175.800 -0.160 0.000 1.098 402 F CA -0.252 57.697 58.000 -0.085 0.000 0.937 402 F CB 1.990 41.004 39.000 0.022 0.000 1.250 402 F HN -0.102 nan 8.300 nan 0.000 0.447 403 T N 5.132 119.104 114.554 -0.969 0.000 3.109 403 T HA 0.512 4.862 4.350 0.000 0.000 0.311 403 T C -1.669 172.486 174.700 -0.909 0.000 1.011 403 T CA -0.621 60.998 62.100 -0.802 0.000 1.026 403 T CB 1.377 70.003 68.868 -0.403 0.000 1.047 403 T HN 0.669 nan 8.240 nan 0.000 0.448 404 R N 2.398 122.441 120.500 -0.763 0.000 2.533 404 R HA 0.716 5.056 4.340 0.000 0.000 0.288 404 R C -1.872 174.282 176.300 -0.243 0.000 1.039 404 R CA -0.545 55.258 56.100 -0.494 0.000 0.909 404 R CB 1.214 31.274 30.300 -0.401 0.000 1.195 404 R HN 0.475 nan 8.270 nan 0.000 0.438 405 V N 5.757 125.447 119.914 -0.373 0.000 2.417 405 V HA 0.573 4.693 4.120 0.000 0.000 0.291 405 V C -0.877 174.936 176.094 -0.469 0.000 1.024 405 V CA -0.513 61.626 62.300 -0.269 0.000 0.861 405 V CB 1.335 33.028 31.823 -0.217 0.000 0.985 405 V HN 0.589 nan 8.190 nan 0.000 0.436 406 F N 3.917 123.810 119.950 -0.096 0.000 2.467 406 F HA 0.642 5.169 4.527 0.000 0.000 0.336 406 F C 0.564 176.183 175.800 -0.302 0.000 1.123 406 F CA -0.674 57.189 58.000 -0.228 0.000 0.964 406 F CB 1.675 40.587 39.000 -0.146 0.000 1.136 406 F HN 0.236 nan 8.300 nan 0.000 0.447 407 R N 2.633 122.960 120.500 -0.287 0.000 2.343 407 R HA 0.343 4.684 4.340 0.000 0.000 0.320 407 R C -1.795 174.282 176.300 -0.372 0.000 0.956 407 R CA -0.647 55.316 56.100 -0.229 0.000 0.836 407 R CB 1.305 31.518 30.300 -0.145 0.000 1.151 407 R HN 0.700 nan 8.270 nan 0.000 0.450 408 W N 5.292 126.631 121.300 0.065 0.000 2.453 408 W HA 0.338 4.998 4.660 0.000 0.000 0.298 408 W C -1.947 174.597 176.519 0.041 0.000 0.983 408 W CA -1.472 55.908 57.345 0.059 0.000 1.600 408 W CB 1.794 31.292 29.460 0.064 0.000 1.430 408 W HN 0.407 nan 8.180 nan 0.000 0.422 409 P HA 0.152 nan 4.420 nan 0.000 0.289 409 P C -0.207 177.131 177.300 0.063 0.000 1.599 409 P CA 0.203 63.369 63.100 0.110 0.000 1.239 409 P CB 0.966 32.692 31.700 0.043 0.000 1.581 410 L N 0.688 121.967 121.223 0.094 0.000 2.272 410 L HA 0.394 4.734 4.340 0.000 0.000 0.284 410 L C 1.283 178.316 176.870 0.272 0.000 1.045 410 L CA 0.052 54.930 54.840 0.064 0.000 0.842 410 L CB 1.306 43.284 42.059 -0.134 0.000 1.224 410 L HN 0.016 nan 8.230 nan 0.000 0.430 411 G N 5.940 114.936 108.800 0.326 0.000 2.695 411 G HA2 0.211 4.171 3.960 0.000 0.000 0.219 411 G HA3 0.211 4.171 3.960 0.000 0.000 0.219 411 G C 0.430 175.401 174.900 0.119 0.000 1.295 411 G CA 0.143 45.385 45.100 0.237 0.000 0.882 411 G HN 0.375 nan 8.290 nan 0.000 0.570 412 I N 0.687 121.270 120.570 0.022 0.000 2.692 412 I HA 0.336 4.506 4.170 0.000 0.000 0.293 412 I C -2.857 173.028 176.117 -0.387 0.000 1.200 412 I CA -2.433 58.767 61.300 -0.168 0.000 1.036 412 I CB 1.992 39.906 38.000 -0.144 0.000 1.258 412 I HN -0.025 nan 8.210 nan 0.000 0.421 413 P HA 0.085 nan 4.420 nan 0.000 0.265 413 P C -0.782 176.252 177.300 -0.443 0.000 1.193 413 P CA -0.071 62.535 63.100 -0.822 0.000 0.765 413 P CB 0.430 31.748 31.700 -0.637 0.000 0.823 414 Q N 2.644 122.282 119.800 -0.271 0.000 2.400 414 Q HA 0.222 4.562 4.340 0.000 0.000 0.255 414 Q C -0.478 175.457 176.000 -0.109 0.000 1.008 414 Q CA -0.102 55.581 55.803 -0.200 0.000 0.841 414 Q CB 0.670 29.350 28.738 -0.096 0.000 1.220 414 Q HN 0.588 nan 8.270 nan 0.000 0.474 415 Y N 2.543 122.523 120.300 -0.533 0.000 2.636 415 Y HA 0.143 4.694 4.550 0.000 0.000 0.334 415 Y C 0.551 176.245 175.900 -0.344 0.000 1.286 415 Y CA -0.522 57.167 58.100 -0.686 0.000 1.688 415 Y CB 0.209 38.186 38.460 -0.805 0.000 1.662 415 Y HN 0.453 nan 8.280 nan 0.000 0.465 416 N N 1.391 120.077 118.700 -0.024 0.000 2.413 416 N HA 0.294 5.034 4.740 0.000 0.000 0.266 416 N C -0.556 174.982 175.510 0.046 0.000 1.238 416 N CA -0.958 52.093 53.050 0.001 0.000 0.972 416 N CB 0.936 39.432 38.487 0.016 0.000 1.210 416 N HN 0.310 nan 8.380 nan 0.000 0.547 417 L N 0.976 122.220 121.223 0.034 0.000 2.653 417 L HA -0.143 4.197 4.340 0.000 0.000 0.288 417 L C 1.514 178.414 176.870 0.051 0.000 1.243 417 L CA 0.576 55.440 54.840 0.041 0.000 0.906 417 L CB -0.608 41.471 42.059 0.034 0.000 1.154 417 L HN 1.002 nan 8.230 nan 0.000 0.498 418 G N 1.208 110.035 108.800 0.046 0.000 2.176 418 G HA2 -0.351 3.609 3.960 0.000 0.000 0.253 418 G HA3 -0.351 3.609 3.960 0.000 0.000 0.253 418 G C 0.757 175.670 174.900 0.022 0.000 0.979 418 G CA 0.612 45.730 45.100 0.029 0.000 0.641 418 G HN 0.910 nan 8.290 nan 0.000 0.530 419 H N 0.017 119.060 119.070 -0.045 0.000 2.319 419 H HA 0.107 4.663 4.556 0.000 0.000 0.299 419 H C 2.617 177.879 175.328 -0.110 0.000 1.092 419 H CA 2.203 58.196 56.048 -0.091 0.000 1.302 419 H CB -0.107 29.568 29.762 -0.145 0.000 1.373 419 H HN 0.316 nan 8.280 nan 0.000 0.497 420 L N 1.039 122.218 121.223 -0.073 0.000 2.083 420 L HA -0.148 4.193 4.340 0.000 0.000 0.209 420 L C 2.478 179.276 176.870 -0.119 0.000 1.083 420 L CA 2.259 57.036 54.840 -0.105 0.000 0.752 420 L CB -1.020 41.024 42.059 -0.026 0.000 0.899 420 L HN 0.652 nan 8.230 nan 0.000 0.433 421 E N -0.645 119.505 120.200 -0.083 0.000 2.152 421 E HA -0.240 4.110 4.350 0.000 0.000 0.192 421 E C 2.346 178.892 176.600 -0.090 0.000 0.983 421 E CA 0.727 57.087 56.400 -0.067 0.000 0.818 421 E CB -0.248 29.431 29.700 -0.035 0.000 0.758 421 E HN 0.415 nan 8.360 nan 0.000 0.467 422 R N 0.858 121.280 120.500 -0.130 0.000 2.070 422 R HA -0.114 4.227 4.340 0.000 0.000 0.233 422 R C 2.249 178.449 176.300 -0.166 0.000 1.137 422 R CA 1.732 57.747 56.100 -0.141 0.000 0.945 422 R CB -0.325 29.874 30.300 -0.168 0.000 0.845 422 R HN 0.176 nan 8.270 nan 0.000 0.430 423 V N 1.400 121.152 119.914 -0.269 0.000 2.407 423 V HA -0.216 3.904 4.120 0.000 0.000 0.248 423 V C 2.547 178.562 176.094 -0.132 0.000 1.055 423 V CA 1.837 64.012 62.300 -0.208 0.000 1.049 423 V CB -0.712 30.951 31.823 -0.267 0.000 0.662 423 V HN 0.568 nan 8.190 nan 0.000 0.455 424 A N 0.013 122.765 122.820 -0.114 0.000 1.902 424 A HA -0.116 4.205 4.320 0.000 0.000 0.217 424 A C 2.386 179.931 177.584 -0.065 0.000 1.181 424 A CA 2.083 54.074 52.037 -0.076 0.000 0.623 424 A CB -0.680 18.284 19.000 -0.059 0.000 0.818 424 A HN 0.574 nan 8.150 nan 0.000 0.443 425 A N -0.499 122.282 122.820 -0.065 0.000 1.968 425 A HA 0.069 4.389 4.320 0.000 0.000 0.217 425 A C 2.052 179.604 177.584 -0.054 0.000 1.169 425 A CA 1.174 53.181 52.037 -0.050 0.000 0.638 425 A CB -0.512 18.464 19.000 -0.040 0.000 0.812 425 A HN 0.477 nan 8.150 nan 0.000 0.446 426 I N -0.043 120.485 120.570 -0.069 0.000 2.226 426 I HA -0.237 3.933 4.170 0.000 0.000 0.245 426 I C 1.804 177.861 176.117 -0.100 0.000 1.100 426 I CA 1.416 62.668 61.300 -0.080 0.000 1.374 426 I CB -0.288 37.657 38.000 -0.091 0.000 1.057 426 I HN 0.225 nan 8.210 nan 0.000 0.413 427 D N 0.914 121.255 120.400 -0.099 0.000 2.117 427 D HA -0.124 4.517 4.640 0.000 0.000 0.198 427 D C 2.262 178.524 176.300 -0.062 0.000 0.982 427 D CA 1.541 55.488 54.000 -0.089 0.000 0.828 427 D CB -0.202 40.552 40.800 -0.077 0.000 0.967 427 D HN 0.328 nan 8.370 nan 0.000 0.464 428 A N 0.812 123.602 122.820 -0.050 0.000 1.972 428 A HA -0.004 4.316 4.320 0.000 0.000 0.219 428 A C 2.239 179.804 177.584 -0.031 0.000 1.169 428 A CA 1.943 53.959 52.037 -0.035 0.000 0.635 428 A CB -0.510 18.472 19.000 -0.029 0.000 0.810 428 A HN 0.229 nan 8.150 nan 0.000 0.446 429 A N -0.603 122.194 122.820 -0.037 0.000 2.014 429 A HA 0.143 4.463 4.320 0.000 0.000 0.218 429 A C 2.033 179.595 177.584 -0.036 0.000 1.163 429 A CA 1.049 53.068 52.037 -0.030 0.000 0.652 429 A CB -0.415 18.567 19.000 -0.029 0.000 0.808 429 A HN 0.454 nan 8.150 nan 0.000 0.449 430 L N -0.975 120.213 121.223 -0.059 0.000 2.217 430 L HA -0.171 4.170 4.340 0.000 0.000 0.211 430 L C 2.708 179.544 176.870 -0.056 0.000 1.107 430 L CA 0.888 55.681 54.840 -0.079 0.000 0.783 430 L CB -0.379 41.609 42.059 -0.119 0.000 0.919 430 L HN 0.480 nan 8.230 nan 0.000 0.442 431 Q N -0.061 119.718 119.800 -0.034 0.000 2.124 431 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 431 Q C 1.752 177.752 176.000 -0.001 0.000 0.977 431 Q CA 1.126 56.920 55.803 -0.014 0.000 0.850 431 Q CB 0.025 28.757 28.738 -0.010 0.000 0.901 431 Q HN 0.446 nan 8.270 nan 0.000 0.429 432 R N 0.193 120.694 120.500 0.001 0.000 2.328 432 R HA 0.073 4.413 4.340 0.000 0.000 0.206 432 R C -0.040 176.281 176.300 0.035 0.000 0.990 432 R CA 0.440 56.547 56.100 0.012 0.000 1.085 432 R CB 0.051 30.355 30.300 0.007 0.000 0.998 432 R HN 0.181 nan 8.270 nan 0.000 0.484 433 L N 1.571 122.823 121.223 0.049 0.000 2.481 433 L HA 0.346 4.686 4.340 0.000 0.000 0.255 433 L C -2.531 174.438 176.870 0.165 0.000 1.192 433 L CA -2.070 52.853 54.840 0.138 0.000 0.924 433 L CB 1.727 43.877 42.059 0.151 0.000 1.179 433 L HN -0.254 nan 8.230 nan 0.000 0.491 434 P HA 0.119 nan 4.420 nan 0.000 0.265 434 P C 0.989 178.459 177.300 0.283 0.000 1.193 434 P CA 0.666 63.841 63.100 0.126 0.000 0.765 434 P CB 0.872 32.615 31.700 0.071 0.000 0.823 435 G N 1.804 110.691 108.800 0.145 0.000 2.143 435 G HA2 -0.231 3.729 3.960 0.000 0.000 0.248 435 G HA3 -0.231 3.729 3.960 0.000 0.000 0.248 435 G C -0.270 174.551 174.900 -0.132 0.000 0.991 435 G CA -0.395 44.841 45.100 0.227 0.000 0.689 435 G HN 0.525 nan 8.290 nan 0.000 0.522 436 L N 0.444 121.356 121.223 -0.519 0.000 2.341 436 L HA 0.774 5.114 4.340 0.000 0.000 0.278 436 L C -0.210 176.131 176.870 -0.882 0.000 1.005 436 L CA -0.996 53.423 54.840 -0.701 0.000 0.818 436 L CB 1.548 43.262 42.059 -0.574 0.000 1.259 436 L HN 0.328 nan 8.230 nan 0.000 0.418 437 H N 3.671 122.625 119.070 -0.193 0.000 2.954 437 H HA 0.504 5.060 4.556 0.000 0.000 0.361 437 H C -1.094 174.134 175.328 -0.167 0.000 1.122 437 H CA -0.625 55.333 56.048 -0.150 0.000 1.217 437 H CB 1.917 31.619 29.762 -0.101 0.000 1.776 437 H HN 0.358 nan 8.280 nan 0.000 0.533 438 L N 2.980 124.142 121.223 -0.103 0.000 2.331 438 L HA 0.635 4.975 4.340 0.000 0.000 0.275 438 L C -0.802 176.002 176.870 -0.110 0.000 1.022 438 L CA -0.846 53.880 54.840 -0.189 0.000 0.812 438 L CB 1.534 43.267 42.059 -0.543 0.000 1.257 438 L HN 0.451 nan 8.230 nan 0.000 0.435 439 I N 0.522 121.130 120.570 0.064 0.000 3.004 439 I HA 0.890 5.060 4.170 0.000 0.000 0.305 439 I C -0.273 176.029 176.117 0.309 0.000 1.312 439 I CA 0.153 61.548 61.300 0.159 0.000 0.992 439 I CB 2.370 40.412 38.000 0.070 0.000 1.282 439 I HN 0.685 nan 8.210 nan 0.000 0.449 440 G N 3.737 112.696 108.800 0.265 0.000 2.347 440 G HA2 -0.019 3.942 3.960 0.000 0.000 0.477 440 G HA3 -0.019 3.942 3.960 0.000 0.000 0.477 440 G C -0.318 174.648 174.900 0.111 0.000 1.349 440 G CA -0.178 45.024 45.100 0.170 0.000 1.000 440 G HN 1.061 nan 8.290 nan 0.000 0.605 441 N N -0.311 118.409 118.700 0.032 0.000 2.520 441 N HA 0.113 4.853 4.740 0.000 0.000 0.185 441 N C 2.070 177.571 175.510 -0.016 0.000 1.068 441 N CA 2.103 55.156 53.050 0.004 0.000 0.911 441 N CB -0.375 38.082 38.487 -0.050 0.000 0.961 441 N HN 1.280 nan 8.380 nan 0.000 0.446 442 A N -0.550 122.141 122.820 -0.215 0.000 2.066 442 A HA 0.008 4.328 4.320 0.000 0.000 0.218 442 A C 1.175 178.579 177.584 -0.300 0.000 1.157 442 A CA 0.676 52.499 52.037 -0.358 0.000 0.670 442 A CB -0.423 18.195 19.000 -0.636 0.000 0.804 442 A HN 0.409 nan 8.150 nan 0.000 0.453 443 Y N -1.519 118.882 120.300 0.167 0.000 2.453 443 Y HA 0.292 4.842 4.550 0.000 0.000 0.273 443 Y C 1.457 177.339 175.900 -0.029 0.000 1.130 443 Y CA 0.513 58.636 58.100 0.039 0.000 1.271 443 Y CB 0.264 38.726 38.460 0.004 0.000 1.253 443 Y HN -0.042 nan 8.280 nan 0.000 0.512 444 K N 0.114 120.655 120.400 0.235 0.000 2.758 444 K HA 0.487 4.807 4.320 0.000 0.000 0.208 444 K C -0.712 176.009 176.600 0.201 0.000 1.091 444 K CA 0.004 56.383 56.287 0.154 0.000 1.059 444 K CB 1.193 33.758 32.500 0.107 0.000 0.801 444 K HN 0.429 nan 8.250 nan 0.000 0.470 445 G N -0.273 108.730 108.800 0.338 0.000 2.350 445 G HA2 -0.077 3.883 3.960 0.000 0.000 0.274 445 G HA3 -0.077 3.883 3.960 0.000 0.000 0.274 445 G C -0.071 174.895 174.900 0.109 0.000 1.621 445 G CA -0.990 44.240 45.100 0.216 0.000 0.935 445 G HN -0.087 nan 8.290 nan 0.000 0.694 446 V N 1.911 121.800 119.914 -0.041 0.000 2.535 446 V HA 0.274 4.394 4.120 0.000 0.000 0.246 446 V C 2.204 178.212 176.094 -0.144 0.000 1.045 446 V CA 2.056 64.262 62.300 -0.156 0.000 1.058 446 V CB -0.398 31.235 31.823 -0.316 0.000 0.689 446 V HN 1.175 nan 8.190 nan 0.000 0.461 447 G N -0.684 108.030 108.800 -0.143 0.000 2.527 447 G HA2 0.323 4.284 3.960 0.000 0.000 0.248 447 G HA3 0.323 4.284 3.960 0.000 0.000 0.248 447 G C 0.713 175.574 174.900 -0.065 0.000 1.231 447 G CA -0.490 44.539 45.100 -0.118 0.000 0.838 447 G HN 0.030 nan 8.290 nan 0.000 0.570 448 L N 1.515 122.709 121.223 -0.049 0.000 2.058 448 L HA -0.238 4.102 4.340 0.000 0.000 0.226 448 L C 2.685 179.526 176.870 -0.048 0.000 1.089 448 L CA 1.793 56.609 54.840 -0.040 0.000 0.799 448 L CB -0.932 41.123 42.059 -0.008 0.000 0.900 448 L HN 0.557 nan 8.230 nan 0.000 0.442 449 N N -0.449 118.236 118.700 -0.024 0.000 2.120 449 N HA -0.163 4.577 4.740 0.000 0.000 0.188 449 N C 1.516 177.012 175.510 -0.022 0.000 1.024 449 N CA 1.433 54.469 53.050 -0.023 0.000 0.852 449 N CB -0.336 38.166 38.487 0.025 0.000 1.003 449 N HN 0.452 nan 8.380 nan 0.000 0.424 450 D N 0.439 120.829 120.400 -0.016 0.000 2.097 450 D HA -0.054 4.586 4.640 0.000 0.000 0.197 450 D C 2.100 178.400 176.300 -0.001 0.000 0.984 450 D CA 0.638 54.636 54.000 -0.002 0.000 0.826 450 D CB -0.472 40.333 40.800 0.009 0.000 0.973 450 D HN 0.206 nan 8.370 nan 0.000 0.460 451 C N 0.822 120.118 119.300 -0.007 0.000 2.398 451 C HA -0.131 4.329 4.460 0.000 0.000 0.276 451 C C 2.919 177.896 174.990 -0.022 0.000 1.222 451 C CA 0.207 59.223 59.018 -0.004 0.000 1.746 451 C CB -1.041 26.690 27.740 -0.015 0.000 2.039 451 C HN 0.320 nan 8.230 nan 0.000 0.470 452 I N 0.264 120.808 120.570 -0.043 0.000 2.202 452 I HA -0.187 3.984 4.170 0.000 0.000 0.242 452 I C 2.853 178.932 176.117 -0.063 0.000 1.091 452 I CA 1.526 62.791 61.300 -0.059 0.000 1.368 452 I CB -0.566 37.384 38.000 -0.083 0.000 1.058 452 I HN 0.300 nan 8.210 nan 0.000 0.410 453 R N 1.034 121.504 120.500 -0.050 0.000 2.081 453 R HA -0.185 4.156 4.340 0.000 0.000 0.235 453 R C 2.030 178.295 176.300 -0.059 0.000 1.131 453 R CA 1.755 57.824 56.100 -0.052 0.000 0.960 453 R CB -0.176 30.108 30.300 -0.028 0.000 0.856 453 R HN 0.358 nan 8.270 nan 0.000 0.436 454 N N 0.502 119.181 118.700 -0.035 0.000 2.216 454 N HA -0.095 4.645 4.740 0.000 0.000 0.183 454 N C 1.577 177.057 175.510 -0.050 0.000 1.017 454 N CA 1.305 54.339 53.050 -0.026 0.000 0.861 454 N CB -0.250 38.247 38.487 0.016 0.000 0.986 454 N HN 0.318 nan 8.380 nan 0.000 0.428 455 A N 1.113 123.901 122.820 -0.054 0.000 1.877 455 A HA -0.000 4.320 4.320 0.000 0.000 0.216 455 A C 2.365 179.859 177.584 -0.149 0.000 1.186 455 A CA 1.980 53.977 52.037 -0.066 0.000 0.620 455 A CB -0.846 18.130 19.000 -0.040 0.000 0.822 455 A HN 0.303 nan 8.150 nan 0.000 0.443 456 A N -1.233 121.439 122.820 -0.247 0.000 1.898 456 A HA -0.164 4.156 4.320 0.000 0.000 0.216 456 A C 2.110 179.439 177.584 -0.425 0.000 1.181 456 A CA 1.890 53.572 52.037 -0.591 0.000 0.620 456 A CB -0.501 18.158 19.000 -0.568 0.000 0.819 456 A HN 0.539 nan 8.150 nan 0.000 0.442 457 Q N -1.031 118.641 119.800 -0.214 0.000 2.124 457 Q HA -0.109 4.232 4.340 0.000 0.000 0.202 457 Q C 2.003 177.940 176.000 -0.105 0.000 0.977 457 Q CA 1.506 57.233 55.803 -0.127 0.000 0.850 457 Q CB -0.342 28.351 28.738 -0.076 0.000 0.901 457 Q HN 0.626 nan 8.270 nan 0.000 0.429 458 L N -0.055 121.104 121.223 -0.107 0.000 2.027 458 L HA -0.068 4.272 4.340 0.000 0.000 0.206 458 L C 2.008 178.809 176.870 -0.115 0.000 1.074 458 L CA 2.085 56.859 54.840 -0.110 0.000 0.745 458 L CB -0.950 41.049 42.059 -0.100 0.000 0.898 458 L HN 0.174 nan 8.230 nan 0.000 0.433 459 A N -0.637 122.127 122.820 -0.093 0.000 1.917 459 A HA -0.269 4.051 4.320 0.000 0.000 0.219 459 A C 2.020 179.632 177.584 0.046 0.000 1.182 459 A CA 2.132 54.166 52.037 -0.006 0.000 0.633 459 A CB -0.970 18.084 19.000 0.089 0.000 0.819 459 A HN 0.570 nan 8.150 nan 0.000 0.448 460 D N -0.207 120.211 120.400 0.030 0.000 2.117 460 D HA -0.027 4.613 4.640 0.000 0.000 0.197 460 D C 2.184 178.488 176.300 0.006 0.000 0.987 460 D CA 1.515 55.549 54.000 0.057 0.000 0.829 460 D CB -0.388 40.438 40.800 0.045 0.000 0.961 460 D HN 0.443 nan 8.370 nan 0.000 0.460 461 A N 0.236 123.037 122.820 -0.032 0.000 2.014 461 A HA -0.079 4.241 4.320 0.000 0.000 0.218 461 A C 2.030 179.581 177.584 -0.054 0.000 1.163 461 A CA 0.608 52.621 52.037 -0.040 0.000 0.652 461 A CB -0.346 18.622 19.000 -0.053 0.000 0.808 461 A HN 0.115 nan 8.150 nan 0.000 0.449 462 L N -0.706 120.464 121.223 -0.087 0.000 2.093 462 L HA -0.021 4.320 4.340 0.000 0.000 0.208 462 L C 1.479 178.332 176.870 -0.029 0.000 1.085 462 L CA 1.220 56.002 54.840 -0.096 0.000 0.755 462 L CB -0.611 41.367 42.059 -0.135 0.000 0.904 462 L HN 0.235 nan 8.230 nan 0.000 0.435 463 V N 0.844 120.750 119.914 -0.013 0.000 2.326 463 V HA 0.626 4.746 4.120 0.000 0.000 0.249 463 V C 0.106 176.201 176.094 0.002 0.000 1.114 463 V CA 0.302 62.602 62.300 -0.000 0.000 1.028 463 V CB -0.566 31.259 31.823 0.003 0.000 1.170 463 V HN 0.288 nan 8.190 nan 0.000 0.494 464 A N 0.000 122.823 122.820 0.005 0.000 2.254 464 A HA 0.000 4.320 4.320 0.000 0.000 0.244 464 A CA 0.000 52.042 52.037 0.009 0.000 0.836 464 A CB 0.000 19.006 19.000 0.010 0.000 0.831 464 A HN 0.000 nan 8.150 nan 0.000 0.486