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 3aet_1_C DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLN 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.423 174.700 -0.462 0.000 1.109 7 T CA 0.000 61.977 62.100 -0.205 0.000 1.349 7 T CB 0.000 68.742 68.868 -0.211 0.000 0.612 8 F N 1.574 121.514 119.950 -0.016 0.000 2.959 8 F HA 0.705 5.228 4.527 -0.007 0.000 0.379 8 F C 0.396 176.189 175.800 -0.012 0.000 1.215 8 F CA -0.211 57.780 58.000 -0.015 0.000 1.190 8 F CB 1.918 40.910 39.000 -0.013 0.000 1.574 8 F HN 0.323 nan 8.300 nan 0.000 0.575 9 G N 0.194 109.051 108.800 0.096 0.000 2.387 9 G HA2 0.358 4.313 3.960 -0.007 0.000 0.309 9 G HA3 0.358 4.313 3.960 -0.007 0.000 0.309 9 G C -0.967 173.945 174.900 0.021 0.000 1.641 9 G CA -0.522 44.617 45.100 0.064 0.000 0.904 9 G HN 0.488 nan 8.290 nan 0.000 0.661 10 C N 1.653 120.965 119.300 0.020 0.000 3.772 10 C HA 0.252 4.708 4.460 -0.007 0.000 0.293 10 C C 2.386 177.376 174.990 0.001 0.000 1.659 10 C CA 0.743 59.761 59.018 0.001 0.000 1.810 10 C CB -0.478 27.259 27.740 -0.004 0.000 3.059 10 C HN 0.864 nan 8.230 nan 0.000 0.617 11 T N 0.215 114.774 114.554 0.008 0.000 2.759 11 T HA -0.169 4.177 4.350 -0.007 0.000 0.269 11 T C 0.950 175.648 174.700 -0.003 0.000 1.042 11 T CA 1.593 63.696 62.100 0.005 0.000 1.140 11 T CB -0.138 68.735 68.868 0.008 0.000 0.864 11 T HN 0.544 nan 8.240 nan 0.000 0.455 12 D N 0.998 121.394 120.400 -0.006 0.000 2.363 12 D HA 0.189 4.825 4.640 -0.007 0.000 0.214 12 D C 0.137 176.428 176.300 -0.015 0.000 1.093 12 D CA 0.042 54.036 54.000 -0.010 0.000 0.837 12 D CB 0.260 41.055 40.800 -0.008 0.000 0.948 12 D HN 0.225 nan 8.370 nan 0.000 0.507 13 S N 2.248 117.937 115.700 -0.018 0.000 2.549 13 S HA 0.164 4.630 4.470 -0.007 0.000 0.286 13 S C -2.224 172.360 174.600 -0.026 0.000 1.314 13 S CA -0.759 57.426 58.200 -0.024 0.000 1.062 13 S CB 0.901 64.083 63.200 -0.029 0.000 0.865 13 S HN 0.070 nan 8.310 nan 0.000 0.498 14 P HA 0.204 nan 4.420 nan 0.000 0.282 14 P C -0.670 176.611 177.300 -0.032 0.000 1.274 14 P CA -0.465 62.620 63.100 -0.026 0.000 0.770 14 P CB 0.591 32.279 31.700 -0.021 0.000 0.867 15 V N 4.911 124.803 119.914 -0.037 0.000 2.488 15 V HA 0.183 4.299 4.120 -0.007 0.000 0.277 15 V C 0.611 176.684 176.094 -0.036 0.000 1.046 15 V CA -0.728 61.545 62.300 -0.044 0.000 0.986 15 V CB 0.202 31.990 31.823 -0.057 0.000 0.989 15 V HN 0.486 nan 8.190 nan 0.000 0.475 16 R N 5.972 126.451 120.500 -0.034 0.000 2.435 16 R HA 0.144 4.480 4.340 -0.007 0.000 0.325 16 R C 0.072 176.361 176.300 -0.018 0.000 1.149 16 R CA -0.147 55.940 56.100 -0.022 0.000 0.995 16 R CB -0.134 30.154 30.300 -0.020 0.000 1.008 16 R HN 0.748 nan 8.270 nan 0.000 0.470 17 R N 2.993 123.486 120.500 -0.013 0.000 2.357 17 R HA 0.002 4.337 4.340 -0.007 0.000 0.330 17 R C -0.457 175.851 176.300 0.013 0.000 1.102 17 R CA 0.307 56.406 56.100 -0.003 0.000 0.974 17 R CB 0.449 30.747 30.300 -0.003 0.000 1.002 17 R HN 0.557 nan 8.270 nan 0.000 0.463 18 E N 2.255 122.468 120.200 0.022 0.000 2.199 18 E HA 0.319 4.664 4.350 -0.007 0.000 0.269 18 E C -0.873 175.754 176.600 0.045 0.000 0.899 18 E CA -1.028 55.391 56.400 0.032 0.000 0.772 18 E CB 1.074 30.793 29.700 0.031 0.000 1.155 18 E HN 0.203 nan 8.360 nan 0.000 0.408 19 R N 2.278 122.804 120.500 0.044 0.000 2.902 19 R HA 0.848 5.184 4.340 -0.007 0.000 0.258 19 R C -0.335 175.994 176.300 0.048 0.000 1.071 19 R CA 0.447 56.576 56.100 0.048 0.000 1.024 19 R CB 1.568 31.893 30.300 0.043 0.000 1.184 19 R HN 0.692 nan 8.270 nan 0.000 0.492 20 G N 0.587 109.416 108.800 0.048 0.000 2.298 20 G HA2 -0.054 3.902 3.960 -0.007 0.000 0.309 20 G HA3 -0.054 3.902 3.960 -0.007 0.000 0.309 20 G C -1.578 173.351 174.900 0.049 0.000 1.279 20 G CA -0.762 44.366 45.100 0.046 0.000 1.042 20 G HN 0.582 nan 8.290 nan 0.000 0.480 21 Q N 0.853 120.681 119.800 0.047 0.000 2.300 21 Q HA 0.340 4.676 4.340 -0.007 0.000 0.280 21 Q C -0.092 175.939 176.000 0.052 0.000 1.033 21 Q CA 0.786 56.615 55.803 0.044 0.000 0.903 21 Q CB 0.568 29.329 28.738 0.039 0.000 1.195 21 Q HN 0.449 nan 8.270 nan 0.000 0.386 22 K N 0.942 121.370 120.400 0.047 0.000 2.318 22 K HA 0.652 4.968 4.320 -0.007 0.000 0.249 22 K C -1.134 175.488 176.600 0.036 0.000 0.942 22 K CA -0.576 55.743 56.287 0.053 0.000 0.808 22 K CB 1.970 34.507 32.500 0.062 0.000 1.189 22 K HN 0.534 nan 8.250 nan 0.000 0.428 23 A N 2.307 125.142 122.820 0.024 0.000 2.978 23 A HA 0.462 4.777 4.320 -0.007 0.000 0.341 23 A C -0.719 176.847 177.584 -0.031 0.000 1.105 23 A CA -0.516 51.514 52.037 -0.012 0.000 0.819 23 A CB -0.038 18.922 19.000 -0.067 0.000 1.080 23 A HN 0.439 nan 8.150 nan 0.000 0.476 24 V N -2.390 117.534 119.914 0.016 0.000 3.160 24 V HA 0.836 4.951 4.120 -0.007 0.000 0.310 24 V C -1.100 175.085 176.094 0.151 0.000 1.181 24 V CA -1.292 61.008 62.300 0.001 0.000 1.047 24 V CB 1.573 33.428 31.823 0.053 0.000 1.068 24 V HN 0.304 nan 8.190 nan 0.000 0.441 25 F N 2.091 121.970 119.950 -0.118 0.000 2.385 25 F HA 0.667 5.189 4.527 -0.008 0.000 0.336 25 F C 1.104 176.914 175.800 0.017 0.000 1.100 25 F CA -1.413 56.522 58.000 -0.109 0.000 1.116 25 F CB 0.992 39.815 39.000 -0.295 0.000 1.166 25 F HN 1.117 nan 8.300 nan 0.000 0.511 26 C N 0.859 120.255 119.300 0.160 0.000 2.649 26 C HA 0.516 4.972 4.460 -0.007 0.000 0.377 26 C C 1.802 176.853 174.990 0.102 0.000 1.321 26 C CA -0.169 58.907 59.018 0.096 0.000 2.368 26 C CB 0.221 27.973 27.740 0.020 0.000 2.597 26 C HN 1.007 nan 8.230 nan 0.000 0.678 27 G N 0.370 109.201 108.800 0.052 0.000 2.501 27 G HA2 -0.085 3.871 3.960 -0.007 0.000 0.220 27 G HA3 -0.085 3.871 3.960 -0.007 0.000 0.220 27 G C 1.111 175.958 174.900 -0.089 0.000 1.114 27 G CA 0.580 45.675 45.100 -0.009 0.000 0.757 27 G HN 0.714 nan 8.290 nan 0.000 0.559 28 L N 1.332 122.503 121.223 -0.087 0.000 2.043 28 L HA -0.107 4.228 4.340 -0.007 0.000 0.212 28 L C 3.130 179.850 176.870 -0.249 0.000 1.075 28 L CA 2.096 56.837 54.840 -0.165 0.000 0.752 28 L CB -1.327 40.638 42.059 -0.155 0.000 0.891 28 L HN 0.197 nan 8.230 nan 0.000 0.432 29 T N -0.726 113.732 114.554 -0.160 0.000 2.685 29 T HA -0.258 4.087 4.350 -0.007 0.000 0.268 29 T C 2.056 176.652 174.700 -0.174 0.000 1.034 29 T CA 1.753 63.806 62.100 -0.078 0.000 1.149 29 T CB -0.574 68.432 68.868 0.230 0.000 0.860 29 T HN 0.619 nan 8.240 nan 0.000 0.449 30 S N 1.869 117.280 115.700 -0.481 0.000 2.402 30 S HA -0.154 4.312 4.470 -0.007 0.000 0.233 30 S C 1.998 175.819 174.600 -1.298 0.000 1.030 30 S CA 1.245 58.567 58.200 -1.463 0.000 1.003 30 S CB -1.022 61.329 63.200 -1.416 0.000 0.813 30 S HN 0.565 nan 8.310 nan 0.000 0.477 31 I N 1.596 121.661 120.570 -0.841 0.000 2.248 31 I HA -0.187 3.979 4.170 -0.007 0.000 0.248 31 I C 2.404 178.102 176.117 -0.697 0.000 1.107 31 I CA 1.012 61.775 61.300 -0.894 0.000 1.373 31 I CB -0.820 36.722 38.000 -0.763 0.000 1.055 31 I HN 0.177 nan 8.210 nan 0.000 0.418 32 V N 0.616 120.225 119.914 -0.509 0.000 2.311 32 V HA -0.294 3.822 4.120 -0.007 0.000 0.259 32 V C 1.708 177.906 176.094 0.173 0.000 1.086 32 V CA 2.801 64.997 62.300 -0.175 0.000 1.078 32 V CB -0.587 31.234 31.823 -0.004 0.000 0.668 32 V HN 0.911 nan 8.190 nan 0.000 0.452 33 W N -1.596 119.638 121.300 -0.111 0.000 4.740 33 W HA 0.192 4.847 4.660 -0.008 0.000 0.160 33 W C 1.165 177.581 176.519 -0.171 0.000 1.012 33 W CA 0.600 57.885 57.345 -0.100 0.000 1.686 33 W CB -0.574 28.843 29.460 -0.070 0.000 0.528 33 W HN 0.061 nan 8.180 nan 0.000 1.041 34 L N 2.945 124.230 121.223 0.104 0.000 2.477 34 L HA 0.267 4.602 4.340 -0.007 0.000 0.220 34 L C 2.259 178.989 176.870 -0.233 0.000 1.106 34 L CA 2.378 57.176 54.840 -0.070 0.000 0.851 34 L CB -2.018 39.874 42.059 -0.278 0.000 0.994 34 L HN 0.440 nan 8.230 nan 0.000 0.462 35 H N 0.756 119.607 119.070 -0.365 0.000 2.352 35 H HA -0.101 4.450 4.556 -0.008 0.000 0.299 35 H C 2.091 177.481 175.328 0.103 0.000 1.097 35 H CA 2.075 58.100 56.048 -0.039 0.000 1.311 35 H CB -0.391 29.408 29.762 0.063 0.000 1.377 35 H HN 0.267 nan 8.280 nan 0.000 0.504 36 R N 0.197 120.285 120.500 -0.687 0.000 2.094 36 R HA -0.163 4.173 4.340 -0.007 0.000 0.239 36 R C 2.390 178.622 176.300 -0.114 0.000 1.137 36 R CA 1.885 57.726 56.100 -0.433 0.000 0.943 36 R CB -0.233 29.880 30.300 -0.311 0.000 0.850 36 R HN 0.263 nan 8.270 nan 0.000 0.433 37 K N 0.695 121.070 120.400 -0.042 0.000 2.057 37 K HA -0.026 4.290 4.320 -0.007 0.000 0.207 37 K C 0.645 177.273 176.600 0.046 0.000 1.049 37 K CA 1.236 57.531 56.287 0.014 0.000 0.931 37 K CB 0.129 32.652 32.500 0.038 0.000 0.714 37 K HN 0.021 nan 8.250 nan 0.000 0.440 38 M N 1.791 121.443 119.600 0.086 0.000 2.725 38 M HA 0.065 4.541 4.480 -0.007 0.000 0.322 38 M C 0.532 176.921 176.300 0.148 0.000 1.393 38 M CA -0.004 55.373 55.300 0.128 0.000 1.452 38 M CB 0.867 33.577 32.600 0.183 0.000 1.242 38 M HN 0.110 nan 8.290 nan 0.000 0.487 39 Q N 0.662 120.526 119.800 0.107 0.000 2.173 39 Q HA -0.228 4.107 4.340 -0.007 0.000 0.208 39 Q C 1.125 177.205 176.000 0.134 0.000 0.989 39 Q CA 1.599 57.468 55.803 0.111 0.000 0.872 39 Q CB 0.122 28.909 28.738 0.081 0.000 0.909 39 Q HN 0.612 nan 8.270 nan 0.000 0.420 40 D N -0.835 119.640 120.400 0.126 0.000 2.323 40 D HA 0.094 4.730 4.640 -0.007 0.000 0.209 40 D C -0.404 175.977 176.300 0.135 0.000 0.973 40 D CA 0.362 54.434 54.000 0.120 0.000 0.874 40 D CB 0.207 41.070 40.800 0.105 0.000 0.930 40 D HN 0.224 nan 8.370 nan 0.000 0.521 41 A N -0.077 122.835 122.820 0.153 0.000 2.312 41 A HA 0.551 4.867 4.320 -0.007 0.000 0.328 41 A C -1.056 176.590 177.584 0.103 0.000 1.158 41 A CA -0.486 51.604 52.037 0.089 0.000 0.821 41 A CB 0.855 19.813 19.000 -0.070 0.000 1.170 41 A HN 0.063 nan 8.150 nan 0.000 0.490 42 F N 1.216 121.111 119.950 -0.092 0.000 2.493 42 F HA 0.684 5.207 4.527 -0.008 0.000 0.329 42 F C -1.460 174.273 175.800 -0.112 0.000 1.126 42 F CA -1.065 56.927 58.000 -0.012 0.000 0.937 42 F CB 1.411 40.424 39.000 0.022 0.000 1.146 42 F HN 0.431 nan 8.300 nan 0.000 0.442 43 F N 7.415 127.234 119.950 -0.217 0.000 2.308 43 F HA 0.411 4.933 4.527 -0.007 0.000 0.370 43 F C -0.594 175.207 175.800 0.003 0.000 1.100 43 F CA -0.818 57.176 58.000 -0.012 0.000 1.108 43 F CB 1.194 40.119 39.000 -0.125 0.000 1.293 43 F HN 0.247 nan 8.300 nan 0.000 0.478 44 L N 5.476 126.918 121.223 0.365 0.000 2.297 44 L HA 0.512 4.848 4.340 -0.007 0.000 0.277 44 L C -0.583 176.384 176.870 0.162 0.000 1.040 44 L CA -0.416 54.643 54.840 0.366 0.000 0.867 44 L CB 0.416 42.688 42.059 0.356 0.000 1.244 44 L HN 0.299 nan 8.230 nan 0.000 0.433 45 V N 5.385 125.368 119.914 0.114 0.000 2.585 45 V HA 0.089 4.205 4.120 -0.007 0.000 0.296 45 V C 0.220 176.327 176.094 0.022 0.000 1.035 45 V CA -0.249 62.066 62.300 0.025 0.000 1.084 45 V CB 1.178 33.000 31.823 -0.002 0.000 0.953 45 V HN 0.448 nan 8.190 nan 0.000 0.483 46 V N 5.539 125.444 119.914 -0.015 0.000 2.304 46 V HA 0.817 4.932 4.120 -0.007 0.000 0.269 46 V C 0.656 176.733 176.094 -0.029 0.000 1.036 46 V CA 0.529 62.815 62.300 -0.023 0.000 0.840 46 V CB 0.321 32.117 31.823 -0.044 0.000 1.036 46 V HN 1.098 nan 8.190 nan 0.000 0.466 47 G N 3.283 112.072 108.800 -0.019 0.000 2.753 47 G HA2 0.641 4.596 3.960 -0.007 0.000 0.303 47 G HA3 0.641 4.596 3.960 -0.007 0.000 0.303 47 G C -0.503 174.389 174.900 -0.013 0.000 1.242 47 G CA 0.161 45.249 45.100 -0.020 0.000 0.810 47 G HN 0.730 nan 8.290 nan 0.000 0.515 48 S N -1.117 114.576 115.700 -0.012 0.000 2.719 48 S HA 0.424 4.890 4.470 -0.007 0.000 0.285 48 S C 1.285 175.883 174.600 -0.002 0.000 1.137 48 S CA -0.166 58.029 58.200 -0.009 0.000 1.012 48 S CB 1.898 65.091 63.200 -0.011 0.000 1.134 48 S HN 0.731 nan 8.310 nan 0.000 0.544 49 R N -0.320 120.177 120.500 -0.005 0.000 2.189 49 R HA -0.056 4.280 4.340 -0.007 0.000 0.223 49 R C 1.697 178.005 176.300 0.014 0.000 1.092 49 R CA 1.590 57.690 56.100 -0.000 0.000 0.989 49 R CB -1.035 29.252 30.300 -0.022 0.000 0.876 49 R HN 0.836 nan 8.270 nan 0.000 0.457 50 T N -0.178 114.379 114.554 0.005 0.000 2.708 50 T HA -0.193 4.153 4.350 -0.007 0.000 0.266 50 T C 1.980 176.695 174.700 0.024 0.000 1.037 50 T CA 1.524 63.637 62.100 0.022 0.000 1.146 50 T CB -0.413 68.457 68.868 0.003 0.000 0.865 50 T HN 0.392 nan 8.240 nan 0.000 0.435 51 C N 1.884 121.183 119.300 -0.002 0.000 2.413 51 C HA 0.032 4.488 4.460 -0.007 0.000 0.276 51 C C 3.263 178.245 174.990 -0.014 0.000 1.236 51 C CA 0.294 59.297 59.018 -0.025 0.000 1.735 51 C CB -1.576 26.148 27.740 -0.027 0.000 2.031 51 C HN 0.660 nan 8.230 nan 0.000 0.474 52 A N -0.440 122.394 122.820 0.024 0.000 1.883 52 A HA -0.278 4.038 4.320 -0.007 0.000 0.217 52 A C 2.132 179.754 177.584 0.063 0.000 1.186 52 A CA 2.039 54.105 52.037 0.049 0.000 0.624 52 A CB -1.194 17.839 19.000 0.056 0.000 0.822 52 A HN 0.827 nan 8.150 nan 0.000 0.444 53 H N -0.846 118.199 119.070 -0.041 0.000 2.423 53 H HA -0.052 4.499 4.556 -0.008 0.000 0.297 53 H C 2.089 177.369 175.328 -0.081 0.000 1.075 53 H CA 1.395 57.413 56.048 -0.050 0.000 1.342 53 H CB -0.003 29.733 29.762 -0.044 0.000 1.395 53 H HN 0.450 nan 8.280 nan 0.000 0.530 54 L N 0.651 121.819 121.223 -0.093 0.000 1.976 54 L HA -0.194 4.142 4.340 -0.007 0.000 0.209 54 L C 2.382 179.093 176.870 -0.266 0.000 1.071 54 L CA 1.286 55.988 54.840 -0.230 0.000 0.746 54 L CB -0.519 41.407 42.059 -0.222 0.000 0.890 54 L HN 0.204 nan 8.230 nan 0.000 0.432 55 L N -0.331 120.777 121.223 -0.193 0.000 2.043 55 L HA -0.313 4.023 4.340 -0.007 0.000 0.212 55 L C 2.755 179.560 176.870 -0.108 0.000 1.075 55 L CA 1.969 56.700 54.840 -0.181 0.000 0.752 55 L CB -0.649 41.346 42.059 -0.107 0.000 0.891 55 L HN 0.511 nan 8.230 nan 0.000 0.432 56 Q N -0.302 119.443 119.800 -0.091 0.000 1.985 56 Q HA -0.296 4.040 4.340 -0.007 0.000 0.207 56 Q C 2.300 178.189 176.000 -0.184 0.000 0.996 56 Q CA 2.308 58.038 55.803 -0.123 0.000 0.851 56 Q CB -0.239 28.424 28.738 -0.125 0.000 0.921 56 Q HN 0.505 nan 8.270 nan 0.000 0.418 57 A N 0.639 123.293 122.820 -0.277 0.000 1.903 57 A HA -0.253 4.063 4.320 -0.007 0.000 0.219 57 A C 2.298 179.785 177.584 -0.162 0.000 1.191 57 A CA 2.316 54.205 52.037 -0.247 0.000 0.638 57 A CB -1.328 17.489 19.000 -0.305 0.000 0.823 57 A HN 0.631 nan 8.150 nan 0.000 0.451 58 A N -0.826 121.881 122.820 -0.189 0.000 1.969 58 A HA 0.283 4.599 4.320 -0.007 0.000 0.218 58 A C 2.286 179.851 177.584 -0.031 0.000 1.169 58 A CA 1.769 53.745 52.037 -0.101 0.000 0.635 58 A CB -0.695 18.192 19.000 -0.188 0.000 0.810 58 A HN 1.158 nan 8.150 nan 0.000 0.445 59 A N -1.180 121.608 122.820 -0.053 0.000 2.251 59 A HA 0.430 4.745 4.320 -0.007 0.000 0.209 59 A C 1.927 179.483 177.584 -0.047 0.000 1.187 59 A CA 1.283 53.319 52.037 -0.001 0.000 0.823 59 A CB -1.193 17.877 19.000 0.116 0.000 0.846 59 A HN 1.622 nan 8.150 nan 0.000 0.486 60 G N -0.096 108.659 108.800 -0.076 0.000 2.700 60 G HA2 -0.448 3.508 3.960 -0.007 0.000 0.350 60 G HA3 -0.448 3.508 3.960 -0.007 0.000 0.350 60 G C 1.549 176.381 174.900 -0.113 0.000 1.250 60 G CA 2.452 47.505 45.100 -0.079 0.000 0.978 60 G HN 1.518 nan 8.290 nan 0.000 0.551 61 V N 0.473 120.369 119.914 -0.030 0.000 2.809 61 V HA 0.130 4.246 4.120 -0.007 0.000 0.256 61 V C 2.559 178.638 176.094 -0.025 0.000 1.080 61 V CA 2.733 65.067 62.300 0.056 0.000 1.102 61 V CB -0.293 31.627 31.823 0.161 0.000 0.705 61 V HN 0.729 nan 8.190 nan 0.000 0.475 62 M N -0.300 119.275 119.600 -0.042 0.000 2.195 62 M HA -0.183 4.293 4.480 -0.007 0.000 0.260 62 M C 1.978 178.219 176.300 -0.098 0.000 1.066 62 M CA 2.382 57.680 55.300 -0.004 0.000 1.089 62 M CB -0.335 32.308 32.600 0.071 0.000 1.377 62 M HN 0.492 nan 8.290 nan 0.000 0.411 63 I N 0.318 120.725 120.570 -0.273 0.000 2.381 63 I HA -0.302 3.864 4.170 -0.007 0.000 0.255 63 I C 0.957 176.809 176.117 -0.441 0.000 1.140 63 I CA 1.575 62.615 61.300 -0.433 0.000 1.404 63 I CB -0.171 37.471 38.000 -0.597 0.000 1.075 63 I HN 0.242 nan 8.210 nan 0.000 0.433 64 F N -0.041 119.894 119.950 -0.025 0.000 2.797 64 F HA 0.308 4.836 4.527 0.001 0.000 0.302 64 F C 1.940 177.727 175.800 -0.021 0.000 1.130 64 F CA 0.337 58.323 58.000 -0.023 0.000 1.387 64 F CB -0.750 38.243 39.000 -0.011 0.000 1.107 64 F HN 0.019 nan 8.300 nan 0.000 0.577 65 A N -0.086 122.780 122.820 0.077 0.000 2.640 65 A HA 0.201 4.517 4.320 -0.007 0.000 0.282 65 A C 0.751 178.351 177.584 0.026 0.000 1.357 65 A CA -0.175 51.903 52.037 0.069 0.000 0.946 65 A CB -0.887 18.159 19.000 0.077 0.000 1.065 65 A HN 0.346 nan 8.150 nan 0.000 0.541 66 E N 0.420 120.615 120.200 -0.007 0.000 2.149 66 E HA -0.156 4.190 4.350 -0.007 0.000 0.191 66 E C -1.986 174.556 176.600 -0.097 0.000 1.384 66 E CA 0.324 56.698 56.400 -0.043 0.000 0.698 66 E CB -1.144 28.562 29.700 0.011 0.000 1.086 66 E HN 0.620 nan 8.360 nan 0.000 0.338 67 P HA -0.045 nan 4.420 nan 0.000 0.270 67 P C -0.184 176.824 177.300 -0.487 0.000 1.227 67 P CA 0.346 63.192 63.100 -0.424 0.000 0.788 67 P CB 0.490 31.700 31.700 -0.815 0.000 0.926 68 R N 1.329 121.545 120.500 -0.474 0.000 4.231 68 R HA 0.359 4.695 4.340 -0.007 0.000 0.250 68 R C -0.267 175.496 176.300 -0.895 0.000 1.600 68 R CA -0.121 55.813 56.100 -0.275 0.000 1.523 68 R CB -0.724 29.660 30.300 0.141 0.000 1.422 68 R HN 0.519 nan 8.270 nan 0.000 0.759 69 F N -2.817 116.476 119.950 -1.095 0.000 2.779 69 F HA 0.841 5.363 4.527 -0.008 0.000 0.316 69 F C -0.386 175.169 175.800 -0.408 0.000 1.164 69 F CA -1.107 56.193 58.000 -1.166 0.000 0.924 69 F CB 1.203 39.873 39.000 -0.551 0.000 1.348 69 F HN 0.075 nan 8.300 nan 0.000 0.467 70 G N -0.258 108.678 108.800 0.227 0.000 2.328 70 G HA2 0.535 4.491 3.960 -0.007 0.000 0.295 70 G HA3 0.535 4.491 3.960 -0.007 0.000 0.295 70 G C -1.882 173.184 174.900 0.276 0.000 1.413 70 G CA -0.302 44.973 45.100 0.291 0.000 0.817 70 G HN 1.357 nan 8.290 nan 0.000 0.546 71 T N -1.932 112.728 114.554 0.176 0.000 2.841 71 T HA 0.705 5.051 4.350 -0.007 0.000 0.285 71 T C 0.224 174.969 174.700 0.076 0.000 0.991 71 T CA 0.366 62.534 62.100 0.113 0.000 0.966 71 T CB 1.587 70.498 68.868 0.071 0.000 0.962 71 T HN 1.959 nan 8.240 nan 0.000 0.438 72 A N 3.925 126.779 122.820 0.057 0.000 2.655 72 A HA 0.501 4.817 4.320 -0.007 0.000 0.297 72 A C 0.839 178.427 177.584 0.007 0.000 1.461 72 A CA -0.573 51.477 52.037 0.022 0.000 1.146 72 A CB -1.144 17.859 19.000 0.005 0.000 1.108 72 A HN 1.634 nan 8.150 nan 0.000 0.550 73 V N 4.304 124.223 119.914 0.008 0.000 2.439 73 V HA 0.263 4.378 4.120 -0.007 0.000 0.271 73 V C 0.151 176.240 176.094 -0.009 0.000 1.040 73 V CA -0.842 61.459 62.300 0.001 0.000 1.002 73 V CB 0.062 31.889 31.823 0.005 0.000 1.000 73 V HN 0.522 nan 8.190 nan 0.000 0.477 74 L N 5.697 126.911 121.223 -0.015 0.000 2.700 74 L HA 0.182 4.518 4.340 -0.007 0.000 0.276 74 L C 0.774 177.634 176.870 -0.015 0.000 1.200 74 L CA 1.036 55.865 54.840 -0.019 0.000 0.951 74 L CB -0.971 41.075 42.059 -0.022 0.000 1.226 74 L HN 0.838 nan 8.230 nan 0.000 0.489 75 E N 1.821 122.012 120.200 -0.015 0.000 2.232 75 E HA 0.094 4.440 4.350 -0.007 0.000 0.265 75 E C 0.586 177.179 176.600 -0.012 0.000 1.001 75 E CA -0.611 55.781 56.400 -0.013 0.000 0.870 75 E CB 1.105 30.799 29.700 -0.011 0.000 1.175 75 E HN 0.469 nan 8.360 nan 0.000 0.407 76 E N 0.933 121.127 120.200 -0.010 0.000 2.169 76 E HA -0.288 4.058 4.350 -0.007 0.000 0.202 76 E C 1.287 177.883 176.600 -0.007 0.000 1.016 76 E CA 2.005 58.400 56.400 -0.009 0.000 0.817 76 E CB 0.057 29.752 29.700 -0.008 0.000 0.736 76 E HN 0.407 nan 8.360 nan 0.000 0.462 77 Q N -0.422 119.374 119.800 -0.007 0.000 2.365 77 Q HA 0.096 4.432 4.340 -0.007 0.000 0.203 77 Q C 0.322 176.318 176.000 -0.006 0.000 0.929 77 Q CA 0.759 56.559 55.803 -0.005 0.000 0.948 77 Q CB 0.431 29.166 28.738 -0.004 0.000 1.043 77 Q HN 0.211 nan 8.270 nan 0.000 0.505 78 D N 0.095 120.489 120.400 -0.010 0.000 2.389 78 D HA 0.117 4.752 4.640 -0.007 0.000 0.206 78 D C 1.403 177.696 176.300 -0.012 0.000 1.055 78 D CA 0.106 54.097 54.000 -0.015 0.000 0.856 78 D CB 0.442 41.227 40.800 -0.025 0.000 0.957 78 D HN 0.286 nan 8.370 nan 0.000 0.509 79 L N 0.712 121.930 121.223 -0.008 0.000 1.988 79 L HA 0.029 4.364 4.340 -0.007 0.000 0.207 79 L C 1.335 178.206 176.870 0.001 0.000 1.071 79 L CA 0.838 55.675 54.840 -0.005 0.000 0.744 79 L CB -0.441 41.615 42.059 -0.004 0.000 0.893 79 L HN -0.095 nan 8.230 nan 0.000 0.433 80 A N -0.287 122.534 122.820 0.002 0.000 2.324 80 A HA 0.650 4.966 4.320 -0.007 0.000 0.330 80 A C 0.021 177.610 177.584 0.008 0.000 1.165 80 A CA 0.044 52.084 52.037 0.007 0.000 0.813 80 A CB 1.057 20.061 19.000 0.006 0.000 1.197 80 A HN 0.224 nan 8.150 nan 0.000 0.484 81 G N -0.325 108.484 108.800 0.014 0.000 2.820 81 G HA2 0.510 4.466 3.960 -0.007 0.000 0.291 81 G HA3 0.510 4.466 3.960 -0.007 0.000 0.291 81 G C -0.559 174.361 174.900 0.034 0.000 1.323 81 G CA -0.564 44.548 45.100 0.021 0.000 1.055 81 G HN 0.434 nan 8.290 nan 0.000 0.520 82 L N 1.214 122.466 121.223 0.049 0.000 2.998 82 L HA 0.470 4.806 4.340 -0.007 0.000 0.234 82 L C 1.390 178.355 176.870 0.157 0.000 1.350 82 L CA 0.016 54.908 54.840 0.087 0.000 1.202 82 L CB -0.634 41.474 42.059 0.081 0.000 1.583 82 L HN 0.718 nan 8.230 nan 0.000 0.456 83 A N -1.829 121.068 122.820 0.127 0.000 1.704 83 A HA 0.102 4.418 4.320 -0.007 0.000 0.211 83 A C 1.639 179.288 177.584 0.109 0.000 1.792 83 A CA -0.039 52.070 52.037 0.120 0.000 1.264 83 A CB 0.181 19.210 19.000 0.050 0.000 1.235 83 A HN 0.259 nan 8.150 nan 0.000 0.440 84 D N 1.193 121.632 120.400 0.066 0.000 2.116 84 D HA -0.184 4.452 4.640 -0.007 0.000 0.193 84 D C 2.219 178.545 176.300 0.044 0.000 0.998 84 D CA 1.713 55.740 54.000 0.044 0.000 0.836 84 D CB -0.283 40.531 40.800 0.024 0.000 0.951 84 D HN 0.425 nan 8.370 nan 0.000 0.449 85 A N 1.677 124.517 122.820 0.033 0.000 1.894 85 A HA -0.291 4.025 4.320 -0.007 0.000 0.220 85 A C 1.985 179.523 177.584 -0.078 0.000 1.237 85 A CA 2.022 54.034 52.037 -0.042 0.000 0.660 85 A CB -1.184 17.765 19.000 -0.086 0.000 0.835 85 A HN 0.432 nan 8.150 nan 0.000 0.461 86 H N -1.231 117.838 119.070 -0.001 0.000 2.333 86 H HA -0.062 4.490 4.556 -0.007 0.000 0.302 86 H C 2.238 177.567 175.328 0.001 0.000 1.075 86 H CA 1.545 57.592 56.048 -0.001 0.000 1.348 86 H CB -0.236 29.525 29.762 -0.001 0.000 1.393 86 H HN 0.547 nan 8.280 nan 0.000 0.509 87 K N 0.877 121.352 120.400 0.126 0.000 2.034 87 K HA -0.251 4.064 4.320 -0.007 0.000 0.214 87 K C 2.233 178.856 176.600 0.039 0.000 1.051 87 K CA 1.947 58.273 56.287 0.065 0.000 0.931 87 K CB 0.025 32.553 32.500 0.046 0.000 0.715 87 K HN 0.096 nan 8.250 nan 0.000 0.446 88 E N 0.740 120.954 120.200 0.023 0.000 2.049 88 E HA -0.238 4.108 4.350 -0.007 0.000 0.198 88 E C 1.873 178.469 176.600 -0.008 0.000 1.007 88 E CA 1.578 57.979 56.400 0.001 0.000 0.809 88 E CB -0.355 29.338 29.700 -0.012 0.000 0.749 88 E HN 0.242 nan 8.360 nan 0.000 0.450 89 L N 1.014 122.224 121.223 -0.023 0.000 1.994 89 L HA -0.168 4.168 4.340 -0.007 0.000 0.208 89 L C 1.631 178.497 176.870 -0.007 0.000 1.071 89 L CA 2.318 57.138 54.840 -0.033 0.000 0.745 89 L CB -0.983 41.031 42.059 -0.075 0.000 0.892 89 L HN 0.141 nan 8.230 nan 0.000 0.431 90 D N -0.501 119.914 120.400 0.026 0.000 2.157 90 D HA -0.258 4.378 4.640 -0.007 0.000 0.191 90 D C 2.320 178.647 176.300 0.044 0.000 1.004 90 D CA 1.390 55.422 54.000 0.053 0.000 0.854 90 D CB -0.271 40.575 40.800 0.076 0.000 0.936 90 D HN 0.284 nan 8.370 nan 0.000 0.446 91 R N 0.663 121.180 120.500 0.028 0.000 2.073 91 R HA -0.125 4.210 4.340 -0.007 0.000 0.234 91 R C 1.826 178.126 176.300 0.000 0.000 1.134 91 R CA 1.072 57.184 56.100 0.019 0.000 0.952 91 R CB -0.037 30.269 30.300 0.011 0.000 0.850 91 R HN 0.158 nan 8.270 nan 0.000 0.433 92 E N 0.199 120.391 120.200 -0.014 0.000 2.110 92 E HA -0.121 4.225 4.350 -0.007 0.000 0.193 92 E C 2.090 178.653 176.600 -0.061 0.000 0.988 92 E CA 1.036 57.416 56.400 -0.033 0.000 0.804 92 E CB -0.175 29.506 29.700 -0.031 0.000 0.745 92 E HN 0.172 nan 8.360 nan 0.000 0.458 93 V N 1.514 121.388 119.914 -0.066 0.000 2.307 93 V HA -0.219 3.897 4.120 -0.007 0.000 0.245 93 V C 2.473 178.483 176.094 -0.140 0.000 1.045 93 V CA 1.692 63.914 62.300 -0.129 0.000 1.024 93 V CB -0.910 30.827 31.823 -0.142 0.000 0.651 93 V HN 0.234 nan 8.190 nan 0.000 0.449 94 A N 0.443 123.246 122.820 -0.027 0.000 1.892 94 A HA -0.343 3.973 4.320 -0.007 0.000 0.218 94 A C 2.240 179.833 177.584 0.015 0.000 1.188 94 A CA 2.631 54.726 52.037 0.097 0.000 0.631 94 A CB -0.602 18.499 19.000 0.170 0.000 0.822 94 A HN 0.561 nan 8.150 nan 0.000 0.447 95 K N -0.345 120.045 120.400 -0.017 0.000 2.020 95 K HA -0.202 4.114 4.320 -0.007 0.000 0.212 95 K C 1.838 178.391 176.600 -0.078 0.000 1.050 95 K CA 1.985 58.249 56.287 -0.037 0.000 0.929 95 K CB -0.544 31.933 32.500 -0.039 0.000 0.714 95 K HN 0.389 nan 8.250 nan 0.000 0.443 96 L N 0.172 121.315 121.223 -0.135 0.000 2.046 96 L HA -0.087 4.249 4.340 -0.007 0.000 0.208 96 L C 1.788 178.528 176.870 -0.217 0.000 1.077 96 L CA 1.609 56.311 54.840 -0.231 0.000 0.747 96 L CB -0.527 41.316 42.059 -0.361 0.000 0.896 96 L HN 0.228 nan 8.230 nan 0.000 0.432 97 L N 0.084 121.204 121.223 -0.172 0.000 2.131 97 L HA -0.073 4.263 4.340 -0.007 0.000 0.206 97 L C 2.644 179.499 176.870 -0.025 0.000 1.087 97 L CA 1.891 56.657 54.840 -0.124 0.000 0.767 97 L CB -1.554 40.418 42.059 -0.146 0.000 0.917 97 L HN 0.609 nan 8.230 nan 0.000 0.441 98 E N 1.097 121.300 120.200 0.004 0.000 2.077 98 E HA -0.253 4.093 4.350 -0.007 0.000 0.193 98 E C 1.829 178.430 176.600 0.000 0.000 0.989 98 E CA 1.339 57.754 56.400 0.024 0.000 0.800 98 E CB -0.524 29.193 29.700 0.028 0.000 0.746 98 E HN 0.448 nan 8.360 nan 0.000 0.452 99 R N 1.555 122.037 120.500 -0.031 0.000 2.325 99 R HA 0.137 4.473 4.340 -0.007 0.000 0.214 99 R C -0.211 176.067 176.300 -0.036 0.000 0.961 99 R CA 0.121 56.201 56.100 -0.032 0.000 1.086 99 R CB -0.301 29.976 30.300 -0.038 0.000 1.037 99 R HN 0.296 nan 8.270 nan 0.000 0.493 100 R N -1.308 119.171 120.500 -0.035 0.000 3.172 100 R HA 0.233 4.569 4.340 -0.007 0.000 0.259 100 R C -2.620 173.691 176.300 0.019 0.000 1.618 100 R CA -1.307 54.788 56.100 -0.008 0.000 1.047 100 R CB 0.830 31.121 30.300 -0.016 0.000 1.438 100 R HN -0.048 nan 8.270 nan 0.000 0.427 101 P HA -0.079 nan 4.420 nan 0.000 0.233 101 P C -0.011 177.387 177.300 0.165 0.000 1.167 101 P CA 0.593 63.781 63.100 0.148 0.000 0.770 101 P CB 0.363 32.153 31.700 0.150 0.000 0.837 102 D N 0.305 120.769 120.400 0.107 0.000 2.097 102 D HA -0.093 4.543 4.640 -0.007 0.000 0.195 102 D C 0.951 177.299 176.300 0.081 0.000 0.989 102 D CA 0.715 54.779 54.000 0.106 0.000 0.827 102 D CB -0.370 40.487 40.800 0.095 0.000 0.966 102 D HN 0.101 nan 8.370 nan 0.000 0.456 103 I N 1.313 121.918 120.570 0.059 0.000 3.087 103 I HA -0.218 3.948 4.170 -0.007 0.000 0.318 103 I C 1.693 177.774 176.117 -0.060 0.000 1.209 103 I CA 0.866 62.188 61.300 0.037 0.000 1.460 103 I CB 0.245 38.262 38.000 0.028 0.000 1.306 103 I HN 0.011 nan 8.210 nan 0.000 0.560 104 R N 3.415 123.899 120.500 -0.028 0.000 2.676 104 R HA 0.230 4.565 4.340 -0.007 0.000 0.241 104 R C -0.376 175.916 176.300 -0.014 0.000 0.964 104 R CA -0.041 56.018 56.100 -0.067 0.000 1.054 104 R CB 0.316 30.622 30.300 0.011 0.000 1.603 104 R HN 0.640 nan 8.270 nan 0.000 0.577 105 Q N 1.114 120.942 119.800 0.046 0.000 2.304 105 Q HA 0.479 4.814 4.340 -0.007 0.000 0.270 105 Q C -1.428 174.589 176.000 0.027 0.000 1.035 105 Q CA -0.631 55.217 55.803 0.074 0.000 0.781 105 Q CB 3.075 31.896 28.738 0.138 0.000 1.261 105 Q HN -0.057 nan 8.270 nan 0.000 0.444 106 L N 2.741 123.930 121.223 -0.057 0.000 2.294 106 L HA 0.544 4.880 4.340 -0.007 0.000 0.283 106 L C -1.681 175.137 176.870 -0.086 0.000 1.015 106 L CA -0.200 54.636 54.840 -0.008 0.000 0.831 106 L CB 0.441 42.470 42.059 -0.050 0.000 1.217 106 L HN 0.479 nan 8.230 nan 0.000 0.420 107 F N 5.772 125.693 119.950 -0.049 0.000 2.421 107 F HA 0.330 4.853 4.527 -0.007 0.000 0.358 107 F C 0.225 176.025 175.800 -0.000 0.000 1.115 107 F CA -0.568 57.444 58.000 0.020 0.000 1.160 107 F CB 0.806 39.839 39.000 0.054 0.000 1.123 107 F HN 0.249 nan 8.300 nan 0.000 0.508 108 L N 5.599 126.863 121.223 0.068 0.000 2.407 108 L HA 0.236 4.572 4.340 -0.007 0.000 0.282 108 L C -0.318 176.468 176.870 -0.140 0.000 1.110 108 L CA -0.405 54.431 54.840 -0.005 0.000 0.863 108 L CB 0.181 42.230 42.059 -0.018 0.000 1.207 108 L HN 0.332 nan 8.230 nan 0.000 0.454 109 V N 2.609 122.411 119.914 -0.187 0.000 2.481 109 V HA 0.517 4.633 4.120 -0.007 0.000 0.286 109 V C 0.786 176.741 176.094 -0.231 0.000 1.042 109 V CA -0.593 61.443 62.300 -0.439 0.000 0.928 109 V CB 1.583 33.188 31.823 -0.363 0.000 0.986 109 V HN 0.831 nan 8.190 nan 0.000 0.462 110 G N 2.509 111.178 108.800 -0.219 0.000 2.356 110 G HA2 0.590 4.546 3.960 -0.007 0.000 0.322 110 G HA3 0.590 4.546 3.960 -0.007 0.000 0.322 110 G C -0.064 174.795 174.900 -0.068 0.000 1.125 110 G CA -0.121 44.919 45.100 -0.100 0.000 0.885 110 G HN 0.894 nan 8.290 nan 0.000 0.467 111 S N 0.415 116.087 115.700 -0.048 0.000 2.758 111 S HA 0.296 4.762 4.470 -0.007 0.000 0.292 111 S C 1.444 176.033 174.600 -0.020 0.000 1.131 111 S CA -0.401 57.778 58.200 -0.035 0.000 0.997 111 S CB 1.007 64.186 63.200 -0.034 0.000 1.111 111 S HN 0.553 nan 8.310 nan 0.000 0.552 112 C N 1.312 120.604 119.300 -0.014 0.000 2.455 112 C HA 0.063 4.518 4.460 -0.007 0.000 0.281 112 C C -0.317 174.669 174.990 -0.007 0.000 1.237 112 C CA 1.331 60.346 59.018 -0.005 0.000 1.726 112 C CB -2.351 25.388 27.740 -0.002 0.000 2.068 112 C HN 0.743 nan 8.230 nan 0.000 0.466 113 P HA -0.170 nan 4.420 nan 0.000 0.216 113 P C 1.912 179.204 177.300 -0.013 0.000 1.157 113 P CA 3.025 66.119 63.100 -0.011 0.000 0.880 113 P CB -0.310 31.382 31.700 -0.014 0.000 0.791 114 S N -0.755 114.933 115.700 -0.020 0.000 2.382 114 S HA -0.206 4.260 4.470 -0.007 0.000 0.228 114 S C 1.889 176.481 174.600 -0.013 0.000 1.027 114 S CA 1.300 59.485 58.200 -0.025 0.000 0.991 114 S CB -1.139 62.039 63.200 -0.035 0.000 0.823 114 S HN 0.241 nan 8.310 nan 0.000 0.469 115 E N 0.696 120.893 120.200 -0.006 0.000 2.076 115 E HA 0.001 4.347 4.350 -0.007 0.000 0.190 115 E C 2.168 178.773 176.600 0.007 0.000 0.979 115 E CA 1.015 57.417 56.400 0.004 0.000 0.807 115 E CB -0.281 29.424 29.700 0.007 0.000 0.761 115 E HN 0.399 nan 8.360 nan 0.000 0.454 116 V N 1.707 121.623 119.914 0.005 0.000 2.469 116 V HA -0.219 3.897 4.120 -0.007 0.000 0.251 116 V C 2.098 178.196 176.094 0.006 0.000 1.064 116 V CA 1.329 63.632 62.300 0.006 0.000 1.066 116 V CB -0.353 31.473 31.823 0.004 0.000 0.667 116 V HN 0.276 nan 8.190 nan 0.000 0.461 117 L N -0.765 120.460 121.223 0.003 0.000 2.599 117 L HA 0.063 4.399 4.340 -0.007 0.000 0.230 117 L C 1.333 178.211 176.870 0.013 0.000 1.141 117 L CA 0.145 54.988 54.840 0.004 0.000 0.877 117 L CB -0.347 41.708 42.059 -0.006 0.000 1.009 117 L HN 0.267 nan 8.230 nan 0.000 0.447 118 K N 0.607 121.016 120.400 0.016 0.000 3.020 118 K HA -0.194 4.122 4.320 -0.007 0.000 0.266 118 K C -0.087 176.538 176.600 0.041 0.000 1.067 118 K CA 0.730 57.033 56.287 0.026 0.000 0.780 118 K CB -1.706 30.810 32.500 0.026 0.000 1.220 118 K HN 0.368 nan 8.250 nan 0.000 0.483 119 L N -0.796 120.446 121.223 0.031 0.000 2.325 119 L HA 0.360 4.696 4.340 -0.007 0.000 0.284 119 L C -0.051 176.861 176.870 0.070 0.000 1.089 119 L CA -0.255 54.616 54.840 0.051 0.000 0.836 119 L CB 1.163 43.203 42.059 -0.032 0.000 1.184 119 L HN 0.111 nan 8.230 nan 0.000 0.444 120 D N 3.318 123.811 120.400 0.154 0.000 2.383 120 D HA 0.100 4.736 4.640 -0.007 0.000 0.245 120 D C 0.942 177.336 176.300 0.157 0.000 1.263 120 D CA -0.273 53.802 54.000 0.125 0.000 0.936 120 D CB 0.661 41.517 40.800 0.092 0.000 1.053 120 D HN 0.638 nan 8.370 nan 0.000 0.507 121 L N 3.204 124.476 121.223 0.081 0.000 2.201 121 L HA -0.066 4.270 4.340 -0.007 0.000 0.212 121 L C 1.629 178.533 176.870 0.057 0.000 1.105 121 L CA 1.208 56.083 54.840 0.057 0.000 0.775 121 L CB -0.528 41.537 42.059 0.011 0.000 0.913 121 L HN 0.470 nan 8.230 nan 0.000 0.440 122 D N -0.780 119.652 120.400 0.054 0.000 2.104 122 D HA -0.200 4.435 4.640 -0.007 0.000 0.194 122 D C 2.380 178.696 176.300 0.026 0.000 0.994 122 D CA 1.013 55.037 54.000 0.040 0.000 0.830 122 D CB -0.025 40.798 40.800 0.038 0.000 0.959 122 D HN 0.166 nan 8.370 nan 0.000 0.452 123 R N 0.130 120.649 120.500 0.032 0.000 2.127 123 R HA 0.083 4.419 4.340 -0.007 0.000 0.217 123 R C 2.005 178.315 176.300 0.016 0.000 1.074 123 R CA 0.833 56.936 56.100 0.005 0.000 0.991 123 R CB -0.010 30.274 30.300 -0.026 0.000 0.895 123 R HN 0.098 nan 8.270 nan 0.000 0.450 124 A N 1.093 123.960 122.820 0.078 0.000 1.865 124 A HA -0.157 4.158 4.320 -0.007 0.000 0.217 124 A C 2.345 179.951 177.584 0.038 0.000 1.191 124 A CA 1.905 54.009 52.037 0.112 0.000 0.623 124 A CB -0.854 18.252 19.000 0.177 0.000 0.826 124 A HN 0.448 nan 8.150 nan 0.000 0.444 125 A N -0.847 121.979 122.820 0.011 0.000 1.908 125 A HA -0.220 4.096 4.320 -0.007 0.000 0.218 125 A C 2.060 179.608 177.584 -0.060 0.000 1.181 125 A CA 1.850 53.864 52.037 -0.037 0.000 0.627 125 A CB -0.556 18.420 19.000 -0.040 0.000 0.818 125 A HN 0.600 nan 8.150 nan 0.000 0.445 126 E N -0.533 119.642 120.200 -0.041 0.000 2.058 126 E HA -0.229 4.117 4.350 -0.007 0.000 0.194 126 E C 2.365 178.943 176.600 -0.036 0.000 0.997 126 E CA 1.300 57.671 56.400 -0.049 0.000 0.801 126 E CB -0.231 29.449 29.700 -0.033 0.000 0.746 126 E HN 0.603 nan 8.360 nan 0.000 0.450 127 R N 0.268 120.758 120.500 -0.016 0.000 2.075 127 R HA -0.123 4.213 4.340 -0.007 0.000 0.232 127 R C 2.355 178.668 176.300 0.022 0.000 1.126 127 R CA 0.767 56.865 56.100 -0.003 0.000 0.963 127 R CB -0.139 30.162 30.300 0.002 0.000 0.858 127 R HN 0.155 nan 8.270 nan 0.000 0.435 128 L N 0.927 122.172 121.223 0.037 0.000 2.141 128 L HA -0.080 4.256 4.340 -0.007 0.000 0.209 128 L C 2.321 179.257 176.870 0.110 0.000 1.094 128 L CA 1.429 56.333 54.840 0.106 0.000 0.763 128 L CB -1.153 40.918 42.059 0.020 0.000 0.908 128 L HN 0.186 nan 8.230 nan 0.000 0.437 129 S N -0.031 115.667 115.700 -0.004 0.000 2.359 129 S HA -0.147 4.319 4.470 -0.007 0.000 0.224 129 S C 1.993 176.589 174.600 -0.006 0.000 1.035 129 S CA 1.170 59.344 58.200 -0.042 0.000 1.018 129 S CB -0.607 62.524 63.200 -0.115 0.000 0.876 129 S HN 0.586 nan 8.310 nan 0.000 0.448 130 G N 2.114 110.909 108.800 -0.010 0.000 2.701 130 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.215 130 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.215 130 G C 1.259 176.146 174.900 -0.022 0.000 1.297 130 G CA 1.079 46.169 45.100 -0.017 0.000 0.807 130 G HN 0.379 nan 8.290 nan 0.000 0.608 131 L N 0.093 121.294 121.223 -0.035 0.000 2.123 131 L HA -0.203 4.133 4.340 -0.007 0.000 0.217 131 L C 2.280 178.971 176.870 -0.299 0.000 1.081 131 L CA 2.089 56.828 54.840 -0.168 0.000 0.772 131 L CB -0.546 41.393 42.059 -0.200 0.000 0.890 131 L HN 0.441 nan 8.230 nan 0.000 0.437 132 H N -2.238 116.817 119.070 -0.025 0.000 2.672 132 H HA 0.530 5.082 4.556 -0.007 0.000 0.277 132 H C 0.690 176.012 175.328 -0.010 0.000 1.074 132 H CA 0.088 56.126 56.048 -0.016 0.000 1.173 132 H CB 0.054 29.794 29.762 -0.038 0.000 1.558 132 H HN 0.268 nan 8.280 nan 0.000 0.539 133 A N 1.758 124.613 122.820 0.058 0.000 2.366 133 A HA 0.282 4.597 4.320 -0.007 0.000 0.249 133 A C -1.010 176.604 177.584 0.049 0.000 1.084 133 A CA -0.945 51.114 52.037 0.036 0.000 0.794 133 A CB 0.234 19.235 19.000 0.002 0.000 1.034 133 A HN 0.219 nan 8.150 nan 0.000 0.491 134 P HA 0.063 nan 4.420 nan 0.000 0.267 134 P C 0.789 178.143 177.300 0.089 0.000 1.289 134 P CA 0.472 63.602 63.100 0.050 0.000 0.866 134 P CB -0.084 31.638 31.700 0.036 0.000 1.309 135 H N 0.476 119.557 119.070 0.018 0.000 2.489 135 H HA 0.037 4.589 4.556 -0.007 0.000 0.293 135 H C -0.510 174.836 175.328 0.030 0.000 1.066 135 H CA 0.669 56.732 56.048 0.026 0.000 1.305 135 H CB 0.519 30.298 29.762 0.028 0.000 1.386 135 H HN -0.110 nan 8.280 nan 0.000 0.551 136 V N 2.869 122.716 119.914 -0.113 0.000 2.577 136 V HA 0.328 4.444 4.120 -0.007 0.000 0.303 136 V C -0.422 175.613 176.094 -0.099 0.000 1.042 136 V CA -1.002 61.203 62.300 -0.158 0.000 0.872 136 V CB 1.966 33.669 31.823 -0.200 0.000 0.998 136 V HN 0.199 nan 8.190 nan 0.000 0.423 137 R N 2.600 123.038 120.500 -0.104 0.000 2.297 137 R HA 0.595 4.931 4.340 -0.007 0.000 0.308 137 R C -0.653 175.458 176.300 -0.314 0.000 1.029 137 R CA -0.421 55.543 56.100 -0.227 0.000 0.929 137 R CB 2.034 32.205 30.300 -0.215 0.000 1.046 137 R HN 0.546 nan 8.270 nan 0.000 0.461 138 V N 5.044 124.707 119.914 -0.418 0.000 2.407 138 V HA 0.447 4.562 4.120 -0.007 0.000 0.291 138 V C -1.156 174.676 176.094 -0.436 0.000 1.018 138 V CA -0.598 61.502 62.300 -0.334 0.000 0.842 138 V CB 0.696 32.405 31.823 -0.190 0.000 0.996 138 V HN 0.649 nan 8.190 nan 0.000 0.426 139 Y N 3.812 123.892 120.300 -0.366 0.000 2.593 139 Y HA 0.798 5.344 4.550 -0.007 0.000 0.330 139 Y C 0.790 176.607 175.900 -0.138 0.000 1.223 139 Y CA -0.421 57.516 58.100 -0.271 0.000 1.350 139 Y CB 1.737 39.942 38.460 -0.425 0.000 1.499 139 Y HN 0.668 nan 8.280 nan 0.000 0.554 140 S N 0.009 115.826 115.700 0.194 0.000 2.543 140 S HA 0.631 5.097 4.470 -0.007 0.000 0.271 140 S C -1.820 172.945 174.600 0.276 0.000 1.148 140 S CA -0.562 57.730 58.200 0.153 0.000 0.914 140 S CB 0.611 63.851 63.200 0.067 0.000 1.096 140 S HN 0.636 nan 8.310 nan 0.000 0.471 141 Y N -0.146 120.247 120.300 0.155 0.000 2.744 141 Y HA 0.793 5.339 4.550 -0.008 0.000 0.330 141 Y C -0.641 175.310 175.900 0.086 0.000 1.263 141 Y CA -0.932 57.241 58.100 0.122 0.000 1.065 141 Y CB 1.071 39.619 38.460 0.147 0.000 1.306 141 Y HN 0.509 nan 8.280 nan 0.000 0.459 142 T N -0.129 114.579 114.554 0.256 0.000 2.797 142 T HA 0.573 4.919 4.350 -0.007 0.000 0.279 142 T C 0.291 175.092 174.700 0.167 0.000 0.991 142 T CA -0.015 62.145 62.100 0.101 0.000 0.979 142 T CB 0.780 69.697 68.868 0.081 0.000 0.943 142 T HN 1.189 nan 8.240 nan 0.000 0.444 143 G N 2.350 111.170 108.800 0.035 0.000 3.441 143 G HA2 0.236 4.192 3.960 -0.007 0.000 0.263 143 G HA3 0.236 4.192 3.960 -0.007 0.000 0.263 143 G C 0.452 175.355 174.900 0.005 0.000 1.014 143 G CA -0.041 45.082 45.100 0.038 0.000 0.833 143 G HN 0.923 nan 8.290 nan 0.000 0.514 144 S N 0.141 115.845 115.700 0.005 0.000 2.533 144 S HA 0.369 4.835 4.470 -0.007 0.000 0.282 144 S C 1.775 176.384 174.600 0.014 0.000 1.304 144 S CA 0.307 58.508 58.200 0.001 0.000 1.063 144 S CB 1.605 64.808 63.200 0.003 0.000 0.881 144 S HN 0.310 nan 8.310 nan 0.000 0.493 145 G N 2.635 111.443 108.800 0.013 0.000 2.507 145 G HA2 -0.212 3.744 3.960 -0.007 0.000 0.221 145 G HA3 -0.212 3.744 3.960 -0.007 0.000 0.221 145 G C 1.123 176.043 174.900 0.033 0.000 1.119 145 G CA 1.191 46.308 45.100 0.029 0.000 0.751 145 G HN 0.754 nan 8.290 nan 0.000 0.574 146 L N 0.180 121.418 121.223 0.026 0.000 2.046 146 L HA -0.011 4.325 4.340 -0.007 0.000 0.208 146 L C 1.970 178.857 176.870 0.029 0.000 1.077 146 L CA 1.386 56.242 54.840 0.028 0.000 0.747 146 L CB -0.230 41.843 42.059 0.023 0.000 0.896 146 L HN 0.030 nan 8.230 nan 0.000 0.432 147 D N -1.696 118.719 120.400 0.026 0.000 2.360 147 D HA 0.093 4.729 4.640 -0.007 0.000 0.210 147 D C 0.436 176.745 176.300 0.015 0.000 1.047 147 D CA 0.538 54.551 54.000 0.022 0.000 0.854 147 D CB 0.840 41.656 40.800 0.028 0.000 0.936 147 D HN 0.115 nan 8.370 nan 0.000 0.514 148 T N -0.772 113.798 114.554 0.026 0.000 3.087 148 T HA 0.269 4.615 4.350 -0.007 0.000 0.351 148 T C -1.520 173.215 174.700 0.058 0.000 1.520 148 T CA -0.383 61.733 62.100 0.027 0.000 1.111 148 T CB 1.699 70.584 68.868 0.029 0.000 1.353 148 T HN -0.309 nan 8.240 nan 0.000 0.481 149 T N 4.295 118.894 114.554 0.075 0.000 2.840 149 T HA 0.529 4.875 4.350 -0.007 0.000 0.287 149 T C 0.403 175.223 174.700 0.200 0.000 0.991 149 T CA -0.383 61.801 62.100 0.141 0.000 0.964 149 T CB 0.627 69.585 68.868 0.150 0.000 0.954 149 T HN 0.727 nan 8.240 nan 0.000 0.438 150 F N 2.157 122.138 119.950 0.051 0.000 2.923 150 F HA -0.450 4.073 4.527 -0.007 0.000 0.242 150 F C 2.539 178.300 175.800 -0.064 0.000 1.463 150 F CA 2.291 60.330 58.000 0.064 0.000 1.856 150 F CB -0.965 38.106 39.000 0.118 0.000 0.517 150 F HN 0.650 nan 8.300 nan 0.000 0.325 151 T N -0.926 113.375 114.554 -0.421 0.000 2.897 151 T HA -0.258 4.088 4.350 -0.007 0.000 0.271 151 T C 1.333 175.759 174.700 -0.457 0.000 1.084 151 T CA 1.814 63.484 62.100 -0.717 0.000 1.123 151 T CB -0.501 67.441 68.868 -1.543 0.000 0.865 151 T HN 0.674 nan 8.240 nan 0.000 0.496 152 Q N 0.760 120.456 119.800 -0.173 0.000 2.248 152 Q HA -0.021 4.314 4.340 -0.007 0.000 0.208 152 Q C 2.551 178.495 176.000 -0.094 0.000 0.984 152 Q CA 1.528 57.300 55.803 -0.052 0.000 0.875 152 Q CB -0.867 27.859 28.738 -0.019 0.000 0.910 152 Q HN 0.782 nan 8.270 nan 0.000 0.433 153 G N 0.692 109.389 108.800 -0.172 0.000 2.476 153 G HA2 -0.381 3.575 3.960 -0.007 0.000 0.218 153 G HA3 -0.381 3.575 3.960 -0.007 0.000 0.218 153 G C 1.149 175.864 174.900 -0.309 0.000 1.164 153 G CA 1.130 46.112 45.100 -0.196 0.000 0.768 153 G HN 0.508 nan 8.290 nan 0.000 0.560 154 E N 0.315 120.290 120.200 -0.375 0.000 2.051 154 E HA -0.193 4.153 4.350 -0.007 0.000 0.192 154 E C 2.063 178.570 176.600 -0.155 0.000 0.991 154 E CA 1.431 57.667 56.400 -0.273 0.000 0.799 154 E CB -0.254 29.447 29.700 0.003 0.000 0.748 154 E HN 0.360 nan 8.360 nan 0.000 0.449 155 D N -0.155 120.237 120.400 -0.012 0.000 2.108 155 D HA -0.211 4.425 4.640 -0.007 0.000 0.190 155 D C 2.086 178.329 176.300 -0.095 0.000 0.995 155 D CA 3.005 57.007 54.000 0.003 0.000 0.834 155 D CB -0.626 40.219 40.800 0.075 0.000 0.967 155 D HN 0.374 nan 8.370 nan 0.000 0.446 156 T N -1.532 112.958 114.554 -0.107 0.000 2.685 156 T HA -0.294 4.052 4.350 -0.007 0.000 0.268 156 T C 2.508 177.057 174.700 -0.251 0.000 1.034 156 T CA 1.766 63.817 62.100 -0.082 0.000 1.149 156 T CB -1.489 67.415 68.868 0.060 0.000 0.860 156 T HN 0.413 nan 8.240 nan 0.000 0.449 157 C N 1.161 120.036 119.300 -0.709 0.000 2.436 157 C HA 0.124 4.580 4.460 -0.007 0.000 0.277 157 C C 2.741 177.528 174.990 -0.338 0.000 1.241 157 C CA 0.604 58.979 59.018 -1.071 0.000 1.721 157 C CB -1.658 25.275 27.740 -1.345 0.000 2.043 157 C HN 0.662 nan 8.230 nan 0.000 0.472 158 L N 1.263 122.341 121.223 -0.242 0.000 2.131 158 L HA -0.077 4.259 4.340 -0.007 0.000 0.210 158 L C 2.989 179.819 176.870 -0.066 0.000 1.092 158 L CA 1.622 56.394 54.840 -0.115 0.000 0.759 158 L CB -0.749 41.259 42.059 -0.086 0.000 0.903 158 L HN 0.510 nan 8.230 nan 0.000 0.435 159 A N -0.326 122.457 122.820 -0.062 0.000 2.119 159 A HA 0.043 4.359 4.320 -0.007 0.000 0.217 159 A C 2.412 180.012 177.584 0.027 0.000 1.153 159 A CA 1.269 53.294 52.037 -0.019 0.000 0.692 159 A CB -0.353 18.642 19.000 -0.009 0.000 0.799 159 A HN 0.384 nan 8.150 nan 0.000 0.458 160 A N -1.096 121.756 122.820 0.052 0.000 2.021 160 A HA 0.145 4.460 4.320 -0.007 0.000 0.216 160 A C 2.080 179.763 177.584 0.165 0.000 1.163 160 A CA 1.258 53.380 52.037 0.142 0.000 0.676 160 A CB -0.358 18.791 19.000 0.249 0.000 0.818 160 A HN 0.494 nan 8.150 nan 0.000 0.453 161 M N -0.629 119.022 119.600 0.085 0.000 2.288 161 M HA -0.066 4.410 4.480 -0.007 0.000 0.266 161 M C 1.863 178.208 176.300 0.076 0.000 1.072 161 M CA 0.971 56.295 55.300 0.039 0.000 1.132 161 M CB -0.098 32.469 32.600 -0.055 0.000 1.386 161 M HN 0.241 nan 8.290 nan 0.000 0.432 162 V N 1.337 121.272 119.914 0.036 0.000 2.233 162 V HA -0.212 3.904 4.120 -0.007 0.000 0.247 162 V C -0.785 175.332 176.094 0.038 0.000 1.050 162 V CA 2.031 64.339 62.300 0.013 0.000 1.010 162 V CB -2.163 29.643 31.823 -0.029 0.000 0.637 162 V HN 0.325 nan 8.190 nan 0.000 0.444 163 P HA -0.123 nan 4.420 nan 0.000 0.224 163 P C 1.382 178.717 177.300 0.058 0.000 1.142 163 P CA 1.935 65.064 63.100 0.049 0.000 0.778 163 P CB -0.256 31.476 31.700 0.054 0.000 0.764 164 T N -5.599 109.008 114.554 0.090 0.000 2.990 164 T HA 0.178 4.524 4.350 -0.007 0.000 0.250 164 T C 0.775 175.529 174.700 0.090 0.000 1.041 164 T CA -0.225 61.933 62.100 0.097 0.000 1.010 164 T CB -0.703 68.253 68.868 0.146 0.000 1.003 164 T HN -0.083 nan 8.240 nan 0.000 0.499 165 L N 2.583 123.855 121.223 0.083 0.000 2.536 165 L HA 0.102 4.438 4.340 -0.007 0.000 0.294 165 L C 0.350 177.248 176.870 0.047 0.000 1.257 165 L CA -0.066 54.811 54.840 0.062 0.000 0.850 165 L CB -0.094 41.989 42.059 0.038 0.000 1.105 165 L HN 0.184 nan 8.230 nan 0.000 0.517 166 D N 0.460 120.887 120.400 0.044 0.000 2.423 166 D HA 0.047 4.682 4.640 -0.007 0.000 0.238 166 D C 0.247 176.565 176.300 0.031 0.000 1.142 166 D CA 0.260 54.282 54.000 0.036 0.000 0.884 166 D CB 0.765 41.586 40.800 0.035 0.000 1.199 166 D HN 0.481 nan 8.370 nan 0.000 0.438 167 T N 0.470 115.040 114.554 0.027 0.000 2.922 167 T HA 0.533 4.878 4.350 -0.007 0.000 0.285 167 T C -0.234 174.482 174.700 0.026 0.000 1.005 167 T CA -0.209 61.906 62.100 0.026 0.000 1.061 167 T CB 0.887 69.769 68.868 0.023 0.000 1.007 167 T HN 0.270 nan 8.240 nan 0.000 0.502 168 T N 1.653 116.223 114.554 0.028 0.000 2.792 168 T HA 0.405 4.750 4.350 -0.007 0.000 0.303 168 T C 0.301 175.018 174.700 0.028 0.000 1.310 168 T CA -0.512 61.605 62.100 0.028 0.000 1.007 168 T CB 2.001 70.889 68.868 0.033 0.000 1.335 168 T HN 0.774 nan 8.240 nan 0.000 0.504 169 E N 0.634 120.850 120.200 0.026 0.000 2.228 169 E HA 0.497 4.842 4.350 -0.007 0.000 0.197 169 E C 0.928 177.544 176.600 0.027 0.000 0.909 169 E CA 0.315 56.728 56.400 0.023 0.000 0.911 169 E CB 0.079 29.790 29.700 0.018 0.000 0.887 169 E HN 0.815 nan 8.360 nan 0.000 0.481 170 A N 0.839 123.677 122.820 0.031 0.000 2.615 170 A HA 0.235 4.551 4.320 -0.007 0.000 0.230 170 A C 0.375 177.987 177.584 0.046 0.000 1.062 170 A CA 0.800 52.859 52.037 0.036 0.000 0.758 170 A CB 0.063 19.087 19.000 0.041 0.000 0.995 170 A HN 0.352 nan 8.150 nan 0.000 0.511 171 A N 2.610 125.459 122.820 0.049 0.000 3.094 171 A HA 0.456 4.772 4.320 -0.007 0.000 0.288 171 A C 0.325 177.990 177.584 0.135 0.000 1.519 171 A CA -0.486 51.586 52.037 0.059 0.000 1.227 171 A CB -0.526 18.473 19.000 -0.002 0.000 1.175 171 A HN 0.788 nan 8.150 nan 0.000 0.568 172 E N 0.908 121.188 120.200 0.133 0.000 2.283 172 E HA 0.443 4.789 4.350 -0.007 0.000 0.267 172 E C -0.750 175.961 176.600 0.186 0.000 1.045 172 E CA -0.817 55.673 56.400 0.149 0.000 0.884 172 E CB 1.604 31.360 29.700 0.094 0.000 1.106 172 E HN 0.484 nan 8.360 nan 0.000 0.408 173 L N 2.351 123.657 121.223 0.139 0.000 2.334 173 L HA 0.414 4.750 4.340 -0.007 0.000 0.277 173 L C -0.674 176.255 176.870 0.098 0.000 1.075 173 L CA -0.492 54.413 54.840 0.108 0.000 0.804 173 L CB 0.619 42.641 42.059 -0.061 0.000 1.174 173 L HN 0.472 nan 8.230 nan 0.000 0.438 174 I N 4.609 125.267 120.570 0.147 0.000 2.418 174 I HA 0.234 4.400 4.170 -0.007 0.000 0.287 174 I C -0.578 175.640 176.117 0.169 0.000 1.008 174 I CA -0.730 60.654 61.300 0.140 0.000 1.104 174 I CB 2.033 40.112 38.000 0.133 0.000 1.264 174 I HN 0.205 nan 8.210 nan 0.000 0.438 175 V N 7.469 127.467 119.914 0.139 0.000 2.334 175 V HA 0.224 4.340 4.120 -0.007 0.000 0.267 175 V C 0.182 176.355 176.094 0.132 0.000 1.040 175 V CA -0.619 61.793 62.300 0.186 0.000 0.866 175 V CB 1.102 33.055 31.823 0.216 0.000 1.019 175 V HN 0.376 nan 8.190 nan 0.000 0.468 176 V N 4.105 124.109 119.914 0.149 0.000 2.432 176 V HA 0.927 5.043 4.120 -0.007 0.000 0.275 176 V C 0.693 176.809 176.094 0.037 0.000 1.043 176 V CA 0.219 62.565 62.300 0.076 0.000 0.925 176 V CB 0.791 32.648 31.823 0.057 0.000 0.985 176 V HN 1.173 nan 8.190 nan 0.000 0.466 177 G N 3.426 112.228 108.800 0.003 0.000 2.312 177 G HA2 0.505 4.461 3.960 -0.007 0.000 0.322 177 G HA3 0.505 4.461 3.960 -0.007 0.000 0.322 177 G C -0.646 174.262 174.900 0.014 0.000 1.645 177 G CA -0.357 44.724 45.100 -0.032 0.000 0.919 177 G HN 1.164 nan 8.290 nan 0.000 0.699 178 A N 1.731 124.605 122.820 0.090 0.000 2.440 178 A HA 0.800 5.115 4.320 -0.007 0.000 0.251 178 A C 0.290 177.905 177.584 0.052 0.000 1.089 178 A CA 0.140 52.236 52.037 0.099 0.000 0.779 178 A CB 0.419 19.546 19.000 0.211 0.000 1.022 178 A HN 1.172 nan 8.150 nan 0.000 0.492 179 L N 2.878 124.106 121.223 0.009 0.000 2.388 179 L HA 0.409 4.744 4.340 -0.007 0.000 0.264 179 L C -2.466 174.391 176.870 -0.023 0.000 0.998 179 L CA -2.312 52.518 54.840 -0.018 0.000 0.817 179 L CB 2.677 44.686 42.059 -0.083 0.000 1.338 179 L HN 0.416 nan 8.230 nan 0.000 0.414 180 P HA -0.019 nan 4.420 nan 0.000 0.261 180 P C -0.014 177.256 177.300 -0.050 0.000 1.183 180 P CA 0.080 63.162 63.100 -0.030 0.000 0.761 180 P CB 0.435 32.115 31.700 -0.032 0.000 0.785 181 D N 2.504 122.882 120.400 -0.037 0.000 2.192 181 D HA -0.203 4.432 4.640 -0.007 0.000 0.189 181 D C 1.729 177.991 176.300 -0.064 0.000 1.007 181 D CA 1.678 55.652 54.000 -0.044 0.000 0.859 181 D CB -0.525 40.261 40.800 -0.024 0.000 0.936 181 D HN 0.152 nan 8.370 nan 0.000 0.447 182 V N 1.604 121.485 119.914 -0.055 0.000 2.225 182 V HA -0.335 3.780 4.120 -0.007 0.000 0.252 182 V C 2.830 178.858 176.094 -0.111 0.000 1.055 182 V CA 2.267 64.528 62.300 -0.064 0.000 1.032 182 V CB -1.376 30.418 31.823 -0.048 0.000 0.655 182 V HN 0.055 nan 8.190 nan 0.000 0.458 183 V N 0.099 119.933 119.914 -0.134 0.000 2.282 183 V HA -0.367 3.749 4.120 -0.007 0.000 0.249 183 V C 2.577 178.460 176.094 -0.351 0.000 1.057 183 V CA 2.496 64.653 62.300 -0.237 0.000 1.032 183 V CB -0.890 30.824 31.823 -0.182 0.000 0.645 183 V HN 0.717 nan 8.190 nan 0.000 0.447 184 E N 0.097 120.153 120.200 -0.241 0.000 2.086 184 E HA -0.329 4.017 4.350 -0.007 0.000 0.200 184 E C 1.908 178.380 176.600 -0.213 0.000 1.012 184 E CA 2.034 58.301 56.400 -0.220 0.000 0.812 184 E CB -0.151 29.477 29.700 -0.119 0.000 0.743 184 E HN 0.658 nan 8.360 nan 0.000 0.453 185 D N -0.012 120.293 120.400 -0.159 0.000 2.144 185 D HA -0.151 4.485 4.640 -0.007 0.000 0.200 185 D C 2.099 178.313 176.300 -0.145 0.000 0.978 185 D CA 0.902 54.829 54.000 -0.121 0.000 0.833 185 D CB -0.267 40.485 40.800 -0.080 0.000 0.961 185 D HN 0.379 nan 8.370 nan 0.000 0.470 186 Q N 0.168 119.848 119.800 -0.200 0.000 2.020 186 Q HA -0.139 4.196 4.340 -0.007 0.000 0.202 186 Q C 2.516 178.359 176.000 -0.261 0.000 0.982 186 Q CA 1.233 56.922 55.803 -0.190 0.000 0.838 186 Q CB -0.557 28.062 28.738 -0.197 0.000 0.899 186 Q HN 0.353 nan 8.270 nan 0.000 0.423 187 C N 0.987 119.934 119.300 -0.588 0.000 2.367 187 C HA -0.216 4.240 4.460 -0.007 0.000 0.276 187 C C 2.617 177.524 174.990 -0.137 0.000 1.195 187 C CA 1.125 59.785 59.018 -0.596 0.000 1.756 187 C CB -1.163 26.051 27.740 -0.876 0.000 2.046 187 C HN 0.552 nan 8.230 nan 0.000 0.453 188 L N 1.105 122.249 121.223 -0.131 0.000 1.997 188 L HA -0.155 4.181 4.340 -0.007 0.000 0.216 188 L C 2.938 179.794 176.870 -0.022 0.000 1.074 188 L CA 2.632 57.443 54.840 -0.048 0.000 0.763 188 L CB -0.839 41.187 42.059 -0.055 0.000 0.890 188 L HN 0.588 nan 8.230 nan 0.000 0.434 189 S N -1.004 114.675 115.700 -0.034 0.000 2.351 189 S HA -0.215 4.251 4.470 -0.007 0.000 0.220 189 S C 1.997 176.608 174.600 0.018 0.000 1.035 189 S CA 1.865 60.059 58.200 -0.011 0.000 1.031 189 S CB -0.451 62.739 63.200 -0.017 0.000 0.928 189 S HN 0.385 nan 8.310 nan 0.000 0.433 190 L N 1.225 122.476 121.223 0.047 0.000 1.990 190 L HA -0.155 4.180 4.340 -0.007 0.000 0.213 190 L C 2.511 179.434 176.870 0.087 0.000 1.072 190 L CA 1.462 56.358 54.840 0.092 0.000 0.755 190 L CB -0.685 41.489 42.059 0.191 0.000 0.889 190 L HN 0.333 nan 8.230 nan 0.000 0.432 191 L N -0.991 120.291 121.223 0.099 0.000 2.127 191 L HA -0.221 4.115 4.340 -0.007 0.000 0.211 191 L C 2.524 179.397 176.870 0.005 0.000 1.089 191 L CA 1.381 56.256 54.840 0.058 0.000 0.757 191 L CB -0.785 41.309 42.059 0.057 0.000 0.899 191 L HN 0.361 nan 8.230 nan 0.000 0.434 192 T N -0.835 113.724 114.554 0.008 0.000 2.735 192 T HA -0.157 4.189 4.350 -0.007 0.000 0.256 192 T C 1.768 176.471 174.700 0.005 0.000 1.042 192 T CA 1.216 63.314 62.100 -0.003 0.000 1.147 192 T CB -0.149 68.717 68.868 -0.003 0.000 0.865 192 T HN 0.483 nan 8.240 nan 0.000 0.421 193 Q N 1.137 120.944 119.800 0.011 0.000 2.437 193 Q HA 0.074 4.410 4.340 -0.007 0.000 0.210 193 Q C 2.073 178.085 176.000 0.019 0.000 0.972 193 Q CA 0.827 56.636 55.803 0.011 0.000 0.903 193 Q CB -0.689 28.053 28.738 0.005 0.000 0.967 193 Q HN 0.437 nan 8.270 nan 0.000 0.486 194 L N 0.275 121.516 121.223 0.030 0.000 2.275 194 L HA -0.013 4.323 4.340 -0.007 0.000 0.215 194 L C 1.226 178.123 176.870 0.045 0.000 1.119 194 L CA 1.059 55.931 54.840 0.053 0.000 0.790 194 L CB -0.245 41.863 42.059 0.082 0.000 0.919 194 L HN 0.628 nan 8.230 nan 0.000 0.443 195 G N -0.644 108.169 108.800 0.022 0.000 2.154 195 G HA2 -0.195 3.761 3.960 -0.007 0.000 0.186 195 G HA3 -0.195 3.761 3.960 -0.007 0.000 0.186 195 G C 0.001 174.904 174.900 0.005 0.000 1.000 195 G CA -0.167 44.946 45.100 0.022 0.000 0.664 195 G HN 0.054 nan 8.290 nan 0.000 0.513 196 V N 1.506 121.392 119.914 -0.048 0.000 2.240 196 V HA 0.699 4.815 4.120 -0.007 0.000 0.265 196 V C 0.978 177.006 176.094 -0.111 0.000 1.073 196 V CA 0.058 62.271 62.300 -0.146 0.000 0.857 196 V CB 0.777 32.374 31.823 -0.378 0.000 1.114 196 V HN 0.722 nan 8.190 nan 0.000 0.469 197 G N 4.790 113.568 108.800 -0.036 0.000 2.454 197 G HA2 0.840 4.796 3.960 -0.007 0.000 0.329 197 G HA3 0.840 4.796 3.960 -0.007 0.000 0.329 197 G C -2.522 172.395 174.900 0.029 0.000 1.177 197 G CA -1.132 43.962 45.100 -0.009 0.000 0.951 197 G HN 0.521 nan 8.290 nan 0.000 0.485 198 P HA 0.646 nan 4.420 nan 0.000 0.287 198 P C -1.276 176.026 177.300 0.003 0.000 1.296 198 P CA -0.917 62.192 63.100 0.015 0.000 0.811 198 P CB 2.059 33.776 31.700 0.027 0.000 1.211 199 V N 0.459 120.374 119.914 0.002 0.000 2.653 199 V HA 0.447 4.563 4.120 -0.007 0.000 0.298 199 V C -1.062 175.044 176.094 0.019 0.000 1.097 199 V CA -0.721 61.579 62.300 0.001 0.000 0.908 199 V CB 1.488 33.293 31.823 -0.030 0.000 1.024 199 V HN 0.494 nan 8.190 nan 0.000 0.435 200 R N 5.035 125.555 120.500 0.035 0.000 2.758 200 R HA 0.709 5.044 4.340 -0.007 0.000 0.265 200 R C -0.877 175.448 176.300 0.042 0.000 1.016 200 R CA -0.962 55.160 56.100 0.035 0.000 1.040 200 R CB 1.589 31.912 30.300 0.037 0.000 1.152 200 R HN 0.660 nan 8.270 nan 0.000 0.503 201 M N 1.096 120.716 119.600 0.033 0.000 2.404 201 M HA 0.394 4.869 4.480 -0.007 0.000 0.338 201 M C -1.158 175.158 176.300 0.027 0.000 1.150 201 M CA -0.838 54.482 55.300 0.033 0.000 1.016 201 M CB 1.568 34.179 32.600 0.018 0.000 1.672 201 M HN 0.394 nan 8.290 nan 0.000 0.448 202 L N 6.835 128.073 121.223 0.025 0.000 2.343 202 L HA 0.724 5.060 4.340 -0.007 0.000 0.278 202 L C -2.434 174.442 176.870 0.010 0.000 0.996 202 L CA -1.436 53.410 54.840 0.009 0.000 0.831 202 L CB 1.725 43.776 42.059 -0.014 0.000 1.232 202 L HN 0.466 nan 8.230 nan 0.000 0.413 203 P HA 0.309 nan 4.420 nan 0.000 0.276 203 P C -1.078 176.236 177.300 0.024 0.000 1.244 203 P CA -0.461 62.647 63.100 0.014 0.000 0.801 203 P CB 1.214 32.923 31.700 0.015 0.000 1.006 204 A N 2.220 125.058 122.820 0.030 0.000 2.252 204 A HA 0.334 4.649 4.320 -0.007 0.000 0.305 204 A C 1.533 179.142 177.584 0.041 0.000 1.097 204 A CA -0.500 51.557 52.037 0.033 0.000 0.849 204 A CB 0.269 19.290 19.000 0.036 0.000 1.142 204 A HN 0.462 nan 8.150 nan 0.000 0.499 205 R N -0.911 119.611 120.500 0.037 0.000 2.115 205 R HA 0.049 4.385 4.340 -0.007 0.000 0.226 205 R C 0.784 177.118 176.300 0.056 0.000 1.100 205 R CA 1.118 57.243 56.100 0.042 0.000 0.980 205 R CB 0.060 30.378 30.300 0.031 0.000 0.875 205 R HN 0.669 nan 8.270 nan 0.000 0.445 206 R N -1.400 119.134 120.500 0.056 0.000 2.867 206 R HA 0.129 4.465 4.340 -0.007 0.000 0.268 206 R C 0.845 177.185 176.300 0.067 0.000 1.014 206 R CA -0.066 56.073 56.100 0.066 0.000 0.946 206 R CB 1.607 31.942 30.300 0.059 0.000 1.208 206 R HN 0.015 nan 8.270 nan 0.000 0.477 207 S N -0.309 115.437 115.700 0.077 0.000 2.414 207 S HA -0.146 4.320 4.470 -0.007 0.000 0.227 207 S C 1.092 175.735 174.600 0.073 0.000 1.022 207 S CA 1.522 59.771 58.200 0.082 0.000 0.958 207 S CB -0.268 62.991 63.200 0.098 0.000 0.797 207 S HN 0.804 nan 8.310 nan 0.000 0.493 208 D N 2.359 122.799 120.400 0.066 0.000 2.348 208 D HA -0.060 4.575 4.640 -0.007 0.000 0.216 208 D C 1.252 177.582 176.300 0.050 0.000 0.970 208 D CA 0.747 54.782 54.000 0.058 0.000 0.889 208 D CB -0.663 40.171 40.800 0.056 0.000 0.912 208 D HN 0.767 nan 8.370 nan 0.000 0.524 209 I N -2.490 118.109 120.570 0.049 0.000 3.399 209 I HA 0.348 4.514 4.170 -0.007 0.000 0.345 209 I C -0.512 175.630 176.117 0.042 0.000 1.512 209 I CA -0.842 60.483 61.300 0.042 0.000 1.047 209 I CB 0.159 38.181 38.000 0.037 0.000 1.552 209 I HN -0.290 nan 8.210 nan 0.000 0.494 210 E N 4.389 124.617 120.200 0.047 0.000 2.316 210 E HA 0.294 4.640 4.350 -0.007 0.000 0.275 210 E C -2.053 174.570 176.600 0.038 0.000 1.029 210 E CA -1.782 54.645 56.400 0.044 0.000 0.871 210 E CB 0.614 30.346 29.700 0.053 0.000 1.022 210 E HN 0.296 nan 8.360 nan 0.000 0.418 211 P HA 0.007 nan 4.420 nan 0.000 0.265 211 P C -0.749 176.570 177.300 0.032 0.000 1.187 211 P CA 0.019 63.138 63.100 0.032 0.000 0.766 211 P CB 0.592 32.309 31.700 0.028 0.000 0.820 212 A N 2.856 125.697 122.820 0.034 0.000 2.293 212 A HA 0.574 4.890 4.320 -0.007 0.000 0.302 212 A C -0.344 177.260 177.584 0.032 0.000 1.119 212 A CA -0.535 51.522 52.037 0.033 0.000 0.823 212 A CB 0.801 19.822 19.000 0.034 0.000 1.097 212 A HN 0.370 nan 8.150 nan 0.000 0.491 213 V N 0.480 120.410 119.914 0.028 0.000 2.680 213 V HA 0.820 4.935 4.120 -0.007 0.000 0.309 213 V C 0.633 176.747 176.094 0.033 0.000 1.052 213 V CA 0.293 62.610 62.300 0.028 0.000 0.908 213 V CB 1.816 33.643 31.823 0.006 0.000 1.001 213 V HN 1.400 nan 8.190 nan 0.000 0.431 214 G N 3.092 111.918 108.800 0.043 0.000 2.788 214 G HA2 0.579 4.535 3.960 -0.007 0.000 0.293 214 G HA3 0.579 4.535 3.960 -0.007 0.000 0.293 214 G C -2.736 172.193 174.900 0.047 0.000 1.392 214 G CA -0.953 44.171 45.100 0.040 0.000 0.810 214 G HN 0.431 nan 8.290 nan 0.000 0.508 215 P HA -0.048 nan 4.420 nan 0.000 0.219 215 P C 0.880 178.198 177.300 0.031 0.000 1.146 215 P CA 1.219 64.339 63.100 0.034 0.000 0.808 215 P CB 0.084 31.797 31.700 0.022 0.000 0.779 216 N N -2.467 116.250 118.700 0.028 0.000 2.235 216 N HA 0.051 4.787 4.740 -0.007 0.000 0.209 216 N C -0.300 175.230 175.510 0.034 0.000 1.122 216 N CA 0.025 53.085 53.050 0.015 0.000 0.845 216 N CB -0.082 38.407 38.487 0.002 0.000 1.004 216 N HN -0.043 nan 8.380 nan 0.000 0.499 217 T N 1.824 116.421 114.554 0.071 0.000 2.834 217 T HA 0.192 4.538 4.350 -0.007 0.000 0.298 217 T C 0.381 175.171 174.700 0.150 0.000 0.966 217 T CA -0.111 62.060 62.100 0.119 0.000 1.141 217 T CB 0.721 69.672 68.868 0.138 0.000 0.905 217 T HN 0.039 nan 8.240 nan 0.000 0.535 218 R N 2.246 122.835 120.500 0.148 0.000 2.668 218 R HA 0.703 5.039 4.340 -0.007 0.000 0.279 218 R C -0.641 175.789 176.300 0.217 0.000 0.976 218 R CA -0.694 55.465 56.100 0.100 0.000 0.978 218 R CB 1.439 31.774 30.300 0.059 0.000 1.133 218 R HN 0.723 nan 8.270 nan 0.000 0.484 219 F N -0.979 118.982 119.950 0.018 0.000 2.654 219 F HA 0.678 5.201 4.527 -0.007 0.000 0.308 219 F C -1.153 174.630 175.800 -0.028 0.000 1.108 219 F CA -1.272 56.733 58.000 0.008 0.000 0.957 219 F CB 1.302 40.313 39.000 0.018 0.000 1.309 219 F HN 0.415 nan 8.300 nan 0.000 0.446 220 I N 2.858 123.497 120.570 0.115 0.000 2.689 220 I HA 0.542 4.708 4.170 -0.007 0.000 0.299 220 I C -1.523 174.741 176.117 0.245 0.000 1.059 220 I CA -1.298 60.003 61.300 0.000 0.000 1.055 220 I CB 2.182 40.007 38.000 -0.291 0.000 1.243 220 I HN 0.721 nan 8.210 nan 0.000 0.425 221 L N 7.126 128.502 121.223 0.256 0.000 2.260 221 L HA 0.415 4.751 4.340 -0.007 0.000 0.289 221 L C 1.181 178.342 176.870 0.486 0.000 1.057 221 L CA -0.275 54.775 54.840 0.351 0.000 0.811 221 L CB 1.467 43.764 42.059 0.397 0.000 1.184 221 L HN 0.792 nan 8.230 nan 0.000 0.429 222 A N 3.202 126.183 122.820 0.268 0.000 2.119 222 A HA 0.028 4.343 4.320 -0.007 0.000 0.217 222 A C 0.773 178.264 177.584 -0.156 0.000 1.153 222 A CA 0.905 52.924 52.037 -0.030 0.000 0.692 222 A CB 0.039 18.934 19.000 -0.175 0.000 0.799 222 A HN 0.709 nan 8.150 nan 0.000 0.458 223 Q N -1.469 118.256 119.800 -0.126 0.000 2.331 223 Q HA 0.275 4.610 4.340 -0.007 0.000 0.272 223 Q C -2.485 173.041 176.000 -0.789 0.000 1.062 223 Q CA -1.813 53.639 55.803 -0.586 0.000 0.806 223 Q CB 2.345 30.462 28.738 -1.035 0.000 1.312 223 Q HN 0.107 nan 8.270 nan 0.000 0.431 224 P HA -0.025 nan 4.420 nan 0.000 0.233 224 P C 0.363 177.507 177.300 -0.260 0.000 1.167 224 P CA 0.704 63.206 63.100 -0.997 0.000 0.770 224 P CB -0.092 31.068 31.700 -0.901 0.000 0.837 225 F N -1.316 118.587 119.950 -0.079 0.000 2.980 225 F HA 0.485 5.008 4.527 -0.007 0.000 0.299 225 F C 0.277 176.102 175.800 0.042 0.000 1.211 225 F CA -0.811 57.207 58.000 0.029 0.000 1.328 225 F CB -0.736 38.281 39.000 0.028 0.000 1.154 225 F HN -0.332 nan 8.300 nan 0.000 0.528 226 L N 1.140 122.395 121.223 0.052 0.000 3.083 226 L HA 0.411 4.746 4.340 -0.007 0.000 0.286 226 L C 1.750 178.655 176.870 0.058 0.000 1.307 226 L CA -0.399 54.471 54.840 0.050 0.000 0.897 226 L CB 0.655 42.705 42.059 -0.015 0.000 1.306 226 L HN 0.548 nan 8.230 nan 0.000 0.569 227 G N 0.052 108.917 108.800 0.108 0.000 2.514 227 G HA2 -0.214 3.742 3.960 -0.007 0.000 0.217 227 G HA3 -0.214 3.742 3.960 -0.007 0.000 0.217 227 G C 1.309 176.282 174.900 0.122 0.000 1.198 227 G CA 0.669 45.865 45.100 0.160 0.000 0.780 227 G HN 0.386 nan 8.290 nan 0.000 0.565 228 E N 0.312 120.554 120.200 0.069 0.000 2.150 228 E HA -0.069 4.277 4.350 -0.007 0.000 0.193 228 E C 2.727 179.343 176.600 0.026 0.000 0.985 228 E CA 1.369 57.797 56.400 0.047 0.000 0.814 228 E CB -0.658 29.053 29.700 0.019 0.000 0.752 228 E HN 0.393 nan 8.360 nan 0.000 0.466 229 T N 0.937 115.495 114.554 0.007 0.000 2.904 229 T HA -0.056 4.290 4.350 -0.007 0.000 0.267 229 T C 1.965 176.615 174.700 -0.083 0.000 1.059 229 T CA 1.439 63.513 62.100 -0.044 0.000 1.137 229 T CB -0.220 68.616 68.868 -0.054 0.000 0.879 229 T HN 0.151 nan 8.240 nan 0.000 0.467 230 T N 1.522 116.077 114.554 0.002 0.000 2.614 230 T HA -0.030 4.316 4.350 -0.007 0.000 0.263 230 T C 2.373 177.129 174.700 0.094 0.000 1.055 230 T CA 1.348 63.502 62.100 0.089 0.000 1.162 230 T CB -1.122 67.867 68.868 0.202 0.000 0.863 230 T HN 0.473 nan 8.240 nan 0.000 0.414 231 G N 1.517 110.383 108.800 0.110 0.000 2.663 231 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.222 231 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.222 231 G C 1.779 176.713 174.900 0.056 0.000 1.146 231 G CA 1.465 46.626 45.100 0.101 0.000 0.764 231 G HN 0.642 nan 8.290 nan 0.000 0.608 232 A N 0.039 122.866 122.820 0.013 0.000 1.897 232 A HA 0.265 4.581 4.320 -0.007 0.000 0.215 232 A C 2.488 180.043 177.584 -0.048 0.000 1.181 232 A CA 1.255 53.286 52.037 -0.010 0.000 0.620 232 A CB -0.308 18.682 19.000 -0.017 0.000 0.821 232 A HN 0.364 nan 8.150 nan 0.000 0.443 233 L N -0.731 120.405 121.223 -0.146 0.000 2.093 233 L HA -0.193 4.143 4.340 -0.007 0.000 0.208 233 L C 2.543 179.389 176.870 -0.039 0.000 1.085 233 L CA 1.545 56.240 54.840 -0.242 0.000 0.755 233 L CB -0.537 41.044 42.059 -0.797 0.000 0.904 233 L HN 0.443 nan 8.230 nan 0.000 0.435 234 E N 0.037 120.285 120.200 0.080 0.000 2.070 234 E HA -0.261 4.085 4.350 -0.007 0.000 0.197 234 E C 2.269 178.925 176.600 0.093 0.000 1.004 234 E CA 1.237 57.735 56.400 0.163 0.000 0.805 234 E CB -0.060 29.747 29.700 0.178 0.000 0.744 234 E HN 0.285 nan 8.360 nan 0.000 0.451 235 R N 0.131 120.668 120.500 0.062 0.000 2.303 235 R HA -0.052 4.284 4.340 -0.007 0.000 0.225 235 R C 1.397 177.720 176.300 0.038 0.000 1.114 235 R CA 0.737 56.865 56.100 0.047 0.000 1.007 235 R CB 0.098 30.421 30.300 0.039 0.000 0.861 235 R HN 0.035 nan 8.270 nan 0.000 0.471 236 R N -1.180 119.341 120.500 0.034 0.000 2.432 236 R HA 0.133 4.469 4.340 -0.007 0.000 0.260 236 R C 0.483 176.809 176.300 0.044 0.000 0.935 236 R CA 0.536 56.654 56.100 0.030 0.000 1.080 236 R CB 1.327 31.636 30.300 0.015 0.000 1.155 236 R HN 0.295 nan 8.270 nan 0.000 0.531 237 G N 0.708 109.545 108.800 0.061 0.000 2.134 237 G HA2 -0.240 3.715 3.960 -0.007 0.000 0.209 237 G HA3 -0.240 3.715 3.960 -0.007 0.000 0.209 237 G C -0.038 174.919 174.900 0.095 0.000 0.993 237 G CA -0.034 45.106 45.100 0.066 0.000 0.669 237 G HN 0.426 nan 8.290 nan 0.000 0.519 238 A N -0.281 122.632 122.820 0.155 0.000 2.301 238 A HA 0.823 5.139 4.320 -0.007 0.000 0.312 238 A C 0.054 177.841 177.584 0.339 0.000 1.182 238 A CA -0.369 51.827 52.037 0.264 0.000 0.826 238 A CB 0.844 20.040 19.000 0.326 0.000 1.134 238 A HN 0.256 nan 8.150 nan 0.000 0.501 239 K N 1.756 122.237 120.400 0.135 0.000 2.213 239 K HA 0.375 4.691 4.320 -0.007 0.000 0.270 239 K C 0.230 176.526 176.600 -0.508 0.000 1.002 239 K CA -0.284 55.951 56.287 -0.088 0.000 0.868 239 K CB 1.202 33.645 32.500 -0.094 0.000 1.093 239 K HN 0.714 nan 8.250 nan 0.000 0.454 240 R N 2.283 122.355 120.500 -0.712 0.000 2.738 240 R HA 0.262 4.598 4.340 -0.007 0.000 0.268 240 R C -0.374 175.586 176.300 -0.567 0.000 1.062 240 R CA -0.090 55.367 56.100 -1.072 0.000 1.158 240 R CB 0.431 30.383 30.300 -0.580 0.000 1.046 240 R HN 0.592 nan 8.270 nan 0.000 0.493 241 I N 2.806 123.071 120.570 -0.509 0.000 2.355 241 I HA 0.248 4.414 4.170 -0.007 0.000 0.288 241 I C 0.084 176.012 176.117 -0.314 0.000 0.999 241 I CA -0.554 60.544 61.300 -0.337 0.000 1.163 241 I CB 1.782 39.596 38.000 -0.311 0.000 1.316 241 I HN 0.657 nan 8.210 nan 0.000 0.454 242 A N 5.499 128.170 122.820 -0.248 0.000 2.371 242 A HA 0.864 5.180 4.320 -0.007 0.000 0.257 242 A C -0.040 177.387 177.584 -0.262 0.000 1.089 242 A CA 0.009 51.913 52.037 -0.221 0.000 0.794 242 A CB 0.636 19.546 19.000 -0.150 0.000 1.029 242 A HN 0.938 nan 8.150 nan 0.000 0.488 243 A N 2.297 124.945 122.820 -0.286 0.000 2.586 243 A HA 0.682 4.998 4.320 -0.007 0.000 0.296 243 A C -3.238 174.167 177.584 -0.299 0.000 1.040 243 A CA -0.974 50.899 52.037 -0.274 0.000 0.701 243 A CB 0.629 19.399 19.000 -0.383 0.000 1.277 243 A HN 0.647 nan 8.150 nan 0.000 0.413 244 P HA 0.507 nan 4.420 nan 0.000 0.274 244 P C -0.586 176.635 177.300 -0.132 0.000 1.246 244 P CA 0.022 63.042 63.100 -0.133 0.000 0.795 244 P CB 0.225 31.934 31.700 0.015 0.000 1.006 245 F N 0.975 121.028 119.950 0.171 0.000 2.410 245 F HA 0.249 4.772 4.527 -0.007 0.000 0.334 245 F C -1.379 174.324 175.800 -0.160 0.000 1.134 245 F CA -1.890 56.158 58.000 0.081 0.000 1.227 245 F CB -0.204 38.949 39.000 0.254 0.000 1.194 245 F HN 0.175 nan 8.300 nan 0.000 0.571 246 P HA 0.187 nan 4.420 nan 0.000 0.247 246 P C -1.216 175.562 177.300 -0.871 0.000 1.756 246 P CA 0.103 62.710 63.100 -0.821 0.000 1.117 246 P CB -0.470 30.273 31.700 -1.595 0.000 1.869 247 F N 2.109 121.960 119.950 -0.165 0.000 2.499 247 F HA 0.652 5.175 4.527 -0.008 0.000 0.333 247 F C 1.142 176.788 175.800 -0.257 0.000 1.138 247 F CA -0.131 57.712 58.000 -0.261 0.000 0.945 247 F CB 1.972 40.855 39.000 -0.195 0.000 1.181 247 F HN 0.496 nan 8.300 nan 0.000 0.435 248 G N 2.427 111.049 108.800 -0.297 0.000 2.756 248 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.678 248 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.678 248 G C 0.538 175.497 174.900 0.098 0.000 1.349 248 G CA -0.153 44.970 45.100 0.039 0.000 0.847 248 G HN 0.627 nan 8.290 nan 0.000 0.548 249 E N -0.033 120.323 120.200 0.258 0.000 2.051 249 E HA -0.145 4.201 4.350 -0.007 0.000 0.192 249 E C 2.094 178.845 176.600 0.252 0.000 0.991 249 E CA 2.105 58.705 56.400 0.334 0.000 0.799 249 E CB -0.223 29.658 29.700 0.301 0.000 0.748 249 E HN 0.689 nan 8.360 nan 0.000 0.449 250 E N -0.546 119.771 120.200 0.195 0.000 2.051 250 E HA -0.153 4.192 4.350 -0.007 0.000 0.192 250 E C 2.009 178.667 176.600 0.096 0.000 0.991 250 E CA 1.100 57.584 56.400 0.140 0.000 0.799 250 E CB -0.386 29.381 29.700 0.111 0.000 0.748 250 E HN 0.376 nan 8.360 nan 0.000 0.449 251 G N 0.072 108.919 108.800 0.079 0.000 2.514 251 G HA2 -0.326 3.630 3.960 -0.007 0.000 0.217 251 G HA3 -0.326 3.630 3.960 -0.007 0.000 0.217 251 G C 1.621 176.444 174.900 -0.127 0.000 1.198 251 G CA 1.620 46.724 45.100 0.007 0.000 0.780 251 G HN 0.291 nan 8.290 nan 0.000 0.565 252 T N 0.903 115.253 114.554 -0.340 0.000 2.759 252 T HA -0.138 4.208 4.350 -0.007 0.000 0.269 252 T C 2.566 177.127 174.700 -0.232 0.000 1.042 252 T CA 1.835 63.547 62.100 -0.646 0.000 1.140 252 T CB -0.560 67.524 68.868 -1.307 0.000 0.864 252 T HN 0.329 nan 8.240 nan 0.000 0.455 253 T N 2.812 117.391 114.554 0.041 0.000 2.614 253 T HA -0.014 4.331 4.350 -0.007 0.000 0.263 253 T C 1.947 176.792 174.700 0.242 0.000 1.055 253 T CA 0.723 62.997 62.100 0.290 0.000 1.162 253 T CB -0.446 68.614 68.868 0.319 0.000 0.863 253 T HN 0.086 nan 8.240 nan 0.000 0.414 254 L N -0.429 120.873 121.223 0.131 0.000 2.081 254 L HA -0.115 4.220 4.340 -0.007 0.000 0.212 254 L C 2.143 179.038 176.870 0.042 0.000 1.080 254 L CA 1.645 56.520 54.840 0.059 0.000 0.754 254 L CB -1.469 40.605 42.059 0.026 0.000 0.893 254 L HN 0.473 nan 8.230 nan 0.000 0.433 255 W N 0.470 121.685 121.300 -0.142 0.000 2.354 255 W HA -0.217 4.439 4.660 -0.006 0.000 0.315 255 W C 2.562 179.016 176.519 -0.109 0.000 1.206 255 W CA 1.508 58.734 57.345 -0.198 0.000 1.290 255 W CB -0.271 28.982 29.460 -0.346 0.000 1.152 255 W HN 0.000 nan 8.180 nan 0.000 0.489 256 L N 0.521 121.902 121.223 0.263 0.000 1.955 256 L HA -0.287 4.049 4.340 -0.007 0.000 0.213 256 L C 2.550 179.505 176.870 0.141 0.000 1.072 256 L CA 1.939 56.943 54.840 0.274 0.000 0.755 256 L CB -1.324 41.014 42.059 0.465 0.000 0.888 256 L HN -0.107 nan 8.230 nan 0.000 0.432 257 K N 0.444 120.913 120.400 0.114 0.000 2.071 257 K HA -0.293 4.023 4.320 -0.007 0.000 0.217 257 K C 1.956 178.400 176.600 -0.259 0.000 1.054 257 K CA 2.186 58.277 56.287 -0.326 0.000 0.937 257 K CB -0.692 31.641 32.500 -0.278 0.000 0.719 257 K HN 0.329 nan 8.250 nan 0.000 0.454 258 A N -0.245 122.450 122.820 -0.208 0.000 1.908 258 A HA -0.156 4.160 4.320 -0.007 0.000 0.218 258 A C 2.424 179.871 177.584 -0.228 0.000 1.181 258 A CA 2.114 54.012 52.037 -0.231 0.000 0.627 258 A CB -0.859 17.974 19.000 -0.279 0.000 0.818 258 A HN 0.170 nan 8.150 nan 0.000 0.445 259 V N -0.293 119.456 119.914 -0.276 0.000 2.261 259 V HA -0.236 3.880 4.120 -0.007 0.000 0.246 259 V C 3.085 179.143 176.094 -0.060 0.000 1.047 259 V CA 1.991 64.168 62.300 -0.205 0.000 1.015 259 V CB -1.240 30.385 31.823 -0.331 0.000 0.642 259 V HN 0.632 nan 8.190 nan 0.000 0.446 260 A N -0.287 122.492 122.820 -0.067 0.000 1.986 260 A HA -0.282 4.034 4.320 -0.007 0.000 0.220 260 A C 1.943 179.498 177.584 -0.049 0.000 1.171 260 A CA 2.180 54.204 52.037 -0.021 0.000 0.640 260 A CB -0.631 18.361 19.000 -0.013 0.000 0.811 260 A HN 0.579 nan 8.150 nan 0.000 0.451 261 D N 0.095 120.425 120.400 -0.117 0.000 2.077 261 D HA -0.058 4.578 4.640 -0.007 0.000 0.193 261 D C 2.254 178.521 176.300 -0.054 0.000 0.989 261 D CA 1.805 55.741 54.000 -0.107 0.000 0.831 261 D CB -0.684 40.031 40.800 -0.141 0.000 0.979 261 D HN 0.388 nan 8.370 nan 0.000 0.449 262 A N -0.628 122.166 122.820 -0.043 0.000 2.131 262 A HA -0.187 4.129 4.320 -0.007 0.000 0.220 262 A C 1.415 178.968 177.584 -0.053 0.000 1.158 262 A CA 1.135 53.142 52.037 -0.050 0.000 0.665 262 A CB -0.732 18.236 19.000 -0.053 0.000 0.795 262 A HN 0.364 nan 8.150 nan 0.000 0.460 263 Y N -1.303 118.946 120.300 -0.085 0.000 2.531 263 Y HA 0.365 4.911 4.550 -0.007 0.000 0.249 263 Y C 1.547 177.421 175.900 -0.043 0.000 1.168 263 Y CA 0.158 58.225 58.100 -0.056 0.000 1.226 263 Y CB 0.457 38.890 38.460 -0.045 0.000 1.177 263 Y HN 0.399 nan 8.280 nan 0.000 0.527 264 G N 1.363 110.193 108.800 0.051 0.000 2.295 264 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.287 264 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.287 264 G C -0.176 174.745 174.900 0.035 0.000 1.055 264 G CA 0.250 45.359 45.100 0.014 0.000 0.922 264 G HN 0.125 nan 8.290 nan 0.000 0.503 265 V N 0.814 120.756 119.914 0.046 0.000 2.775 265 V HA 0.504 4.620 4.120 -0.007 0.000 0.299 265 V C 1.376 177.493 176.094 0.037 0.000 1.062 265 V CA 0.063 62.399 62.300 0.060 0.000 1.063 265 V CB 1.506 33.386 31.823 0.095 0.000 0.994 265 V HN 1.023 nan 8.190 nan 0.000 0.483 266 S N 3.218 118.950 115.700 0.053 0.000 2.562 266 S HA 0.295 4.761 4.470 -0.007 0.000 0.281 266 S C 1.204 175.847 174.600 0.072 0.000 1.333 266 S CA -0.049 58.178 58.200 0.045 0.000 1.052 266 S CB 1.173 64.400 63.200 0.045 0.000 0.884 266 S HN 1.151 nan 8.310 nan 0.000 0.506 267 A N 1.055 123.898 122.820 0.038 0.000 2.225 267 A HA -0.085 4.231 4.320 -0.007 0.000 0.215 267 A C 1.989 179.652 177.584 0.131 0.000 1.164 267 A CA 1.420 53.493 52.037 0.060 0.000 0.710 267 A CB -0.648 18.358 19.000 0.010 0.000 0.780 267 A HN 0.987 nan 8.150 nan 0.000 0.473 268 E N -0.488 119.772 120.200 0.100 0.000 2.162 268 E HA -0.057 4.288 4.350 -0.007 0.000 0.193 268 E C 1.917 178.570 176.600 0.088 0.000 0.953 268 E CA 0.735 57.186 56.400 0.084 0.000 0.849 268 E CB -0.036 29.693 29.700 0.049 0.000 0.810 268 E HN 0.519 nan 8.360 nan 0.000 0.470 269 K N 0.033 120.490 120.400 0.095 0.000 2.148 269 K HA -0.126 4.190 4.320 -0.007 0.000 0.204 269 K C 1.829 178.494 176.600 0.108 0.000 1.050 269 K CA 0.965 57.301 56.287 0.081 0.000 0.942 269 K CB -0.285 32.259 32.500 0.074 0.000 0.724 269 K HN 0.095 nan 8.250 nan 0.000 0.446 270 F N 1.813 121.771 119.950 0.014 0.000 2.031 270 F HA -0.178 4.345 4.527 -0.007 0.000 0.295 270 F C 1.955 177.766 175.800 0.018 0.000 1.133 270 F CA 1.607 59.619 58.000 0.021 0.000 1.188 270 F CB -0.037 38.974 39.000 0.019 0.000 0.974 270 F HN 0.044 nan 8.300 nan 0.000 0.473 271 E N 0.717 121.006 120.200 0.149 0.000 2.209 271 E HA -0.200 4.146 4.350 -0.007 0.000 0.196 271 E C 2.218 178.779 176.600 -0.063 0.000 0.993 271 E CA 1.063 57.476 56.400 0.021 0.000 0.819 271 E CB -0.853 28.904 29.700 0.095 0.000 0.745 271 E HN 0.549 nan 8.360 nan 0.000 0.477 272 A N 0.711 123.507 122.820 -0.040 0.000 1.874 272 A HA -0.060 4.255 4.320 -0.007 0.000 0.214 272 A C 2.593 180.124 177.584 -0.088 0.000 1.189 272 A CA 0.994 53.002 52.037 -0.049 0.000 0.615 272 A CB -0.595 18.394 19.000 -0.018 0.000 0.830 272 A HN 0.143 nan 8.150 nan 0.000 0.443 273 V N -0.841 119.007 119.914 -0.110 0.000 2.307 273 V HA -0.173 3.943 4.120 -0.007 0.000 0.245 273 V C 2.718 178.700 176.094 -0.187 0.000 1.045 273 V CA 2.496 64.723 62.300 -0.122 0.000 1.024 273 V CB -0.443 31.326 31.823 -0.090 0.000 0.651 273 V HN 0.610 nan 8.190 nan 0.000 0.449 274 T N -1.133 113.224 114.554 -0.327 0.000 3.067 274 T HA 0.095 4.441 4.350 -0.007 0.000 0.261 274 T C 1.773 176.277 174.700 -0.327 0.000 1.110 274 T CA 0.978 62.847 62.100 -0.384 0.000 1.113 274 T CB -0.075 68.362 68.868 -0.720 0.000 0.917 274 T HN 0.519 nan 8.240 nan 0.000 0.499 275 A N 1.515 124.194 122.820 -0.234 0.000 1.841 275 A HA 0.151 4.467 4.320 -0.007 0.000 0.216 275 A C 2.675 180.153 177.584 -0.177 0.000 1.199 275 A CA 2.016 53.950 52.037 -0.172 0.000 0.621 275 A CB -1.474 17.461 19.000 -0.109 0.000 0.835 275 A HN 0.568 nan 8.150 nan 0.000 0.445 276 A N 0.205 122.935 122.820 -0.151 0.000 1.859 276 A HA -0.095 4.221 4.320 -0.007 0.000 0.217 276 A C 0.356 177.833 177.584 -0.179 0.000 1.198 276 A CA 2.135 54.094 52.037 -0.130 0.000 0.629 276 A CB -1.979 16.966 19.000 -0.093 0.000 0.830 276 A HN 0.446 nan 8.150 nan 0.000 0.446 277 P HA -0.177 nan 4.420 nan 0.000 0.216 277 P C 1.449 178.438 177.300 -0.517 0.000 1.153 277 P CA 1.432 64.329 63.100 -0.338 0.000 0.858 277 P CB -0.179 31.284 31.700 -0.395 0.000 0.789 278 R N -0.646 119.469 120.500 -0.642 0.000 2.096 278 R HA -0.022 4.314 4.340 -0.007 0.000 0.235 278 R C 2.225 178.415 176.300 -0.183 0.000 1.127 278 R CA 1.548 57.349 56.100 -0.498 0.000 0.968 278 R CB -1.001 29.098 30.300 -0.335 0.000 0.861 278 R HN 0.179 nan 8.270 nan 0.000 0.440 279 A N 1.023 123.755 122.820 -0.147 0.000 1.930 279 A HA -0.116 4.200 4.320 -0.007 0.000 0.215 279 A C 2.140 179.696 177.584 -0.047 0.000 1.176 279 A CA 0.858 52.853 52.037 -0.071 0.000 0.632 279 A CB -0.334 18.628 19.000 -0.063 0.000 0.819 279 A HN 0.160 nan 8.150 nan 0.000 0.445 280 R N -0.316 120.144 120.500 -0.066 0.000 2.105 280 R HA -0.145 4.190 4.340 -0.007 0.000 0.239 280 R C 2.193 178.499 176.300 0.010 0.000 1.135 280 R CA 1.549 57.631 56.100 -0.029 0.000 0.967 280 R CB -0.313 29.964 30.300 -0.038 0.000 0.861 280 R HN 0.491 nan 8.270 nan 0.000 0.442 281 A N 1.517 124.346 122.820 0.015 0.000 1.843 281 A HA -0.161 4.154 4.320 -0.007 0.000 0.213 281 A C 1.894 179.540 177.584 0.103 0.000 1.202 281 A CA 1.547 53.641 52.037 0.095 0.000 0.607 281 A CB -0.463 18.648 19.000 0.185 0.000 0.847 281 A HN 0.482 nan 8.150 nan 0.000 0.445 282 K N 0.195 120.641 120.400 0.077 0.000 2.160 282 K HA -0.210 4.106 4.320 -0.007 0.000 0.206 282 K C 1.924 178.563 176.600 0.065 0.000 1.047 282 K CA 1.838 58.173 56.287 0.080 0.000 0.930 282 K CB -0.270 32.261 32.500 0.051 0.000 0.720 282 K HN 0.429 nan 8.250 nan 0.000 0.450 283 K N 0.955 121.382 120.400 0.044 0.000 2.025 283 K HA -0.074 4.242 4.320 -0.007 0.000 0.207 283 K C 2.313 178.936 176.600 0.038 0.000 1.049 283 K CA 1.142 57.447 56.287 0.029 0.000 0.933 283 K CB -0.289 32.218 32.500 0.012 0.000 0.714 283 K HN 0.251 nan 8.250 nan 0.000 0.438 284 A N 1.568 124.425 122.820 0.062 0.000 1.948 284 A HA -0.173 4.142 4.320 -0.007 0.000 0.220 284 A C 2.059 179.723 177.584 0.134 0.000 1.177 284 A CA 1.719 53.807 52.037 0.084 0.000 0.636 284 A CB -0.698 18.369 19.000 0.111 0.000 0.815 284 A HN 0.396 nan 8.150 nan 0.000 0.449 285 I N -0.431 120.245 120.570 0.178 0.000 2.315 285 I HA -0.231 3.935 4.170 -0.007 0.000 0.248 285 I C 2.938 179.141 176.117 0.143 0.000 1.117 285 I CA 0.817 62.265 61.300 0.246 0.000 1.404 285 I CB -0.607 37.538 38.000 0.241 0.000 1.071 285 I HN 0.351 nan 8.210 nan 0.000 0.419 286 A N 1.514 124.372 122.820 0.064 0.000 1.903 286 A HA -0.307 4.008 4.320 -0.007 0.000 0.219 286 A C 2.603 180.165 177.584 -0.038 0.000 1.191 286 A CA 2.347 54.393 52.037 0.015 0.000 0.638 286 A CB -0.967 18.035 19.000 0.003 0.000 0.823 286 A HN 0.463 nan 8.150 nan 0.000 0.451 287 A N -1.419 121.325 122.820 -0.126 0.000 1.997 287 A HA -0.256 4.060 4.320 -0.007 0.000 0.221 287 A C 1.937 179.311 177.584 -0.351 0.000 1.172 287 A CA 1.910 53.774 52.037 -0.289 0.000 0.645 287 A CB -0.822 17.906 19.000 -0.453 0.000 0.813 287 A HN 0.764 nan 8.150 nan 0.000 0.454 288 H N -1.403 117.698 119.070 0.051 0.000 2.553 288 H HA 0.211 4.763 4.556 -0.007 0.000 0.276 288 H C 1.976 177.326 175.328 0.036 0.000 0.979 288 H CA 0.497 56.578 56.048 0.055 0.000 1.268 288 H CB -0.277 29.537 29.762 0.086 0.000 1.450 288 H HN 0.387 nan 8.280 nan 0.000 0.527 289 L N 0.999 122.284 121.223 0.103 0.000 2.123 289 L HA -0.299 4.036 4.340 -0.007 0.000 0.217 289 L C 2.640 179.533 176.870 0.039 0.000 1.081 289 L CA 1.779 56.649 54.840 0.051 0.000 0.772 289 L CB -0.274 41.800 42.059 0.025 0.000 0.890 289 L HN 0.253 nan 8.230 nan 0.000 0.437 290 E N 0.316 120.537 120.200 0.034 0.000 2.007 290 E HA -0.213 4.133 4.350 -0.007 0.000 0.194 290 E C 2.075 178.698 176.600 0.038 0.000 0.999 290 E CA 2.350 58.766 56.400 0.027 0.000 0.811 290 E CB -0.248 29.462 29.700 0.017 0.000 0.762 290 E HN 0.512 nan 8.360 nan 0.000 0.450 291 T N -1.434 113.155 114.554 0.058 0.000 3.007 291 T HA -0.072 4.274 4.350 -0.007 0.000 0.270 291 T C 1.643 176.378 174.700 0.059 0.000 1.107 291 T CA 0.844 62.981 62.100 0.062 0.000 1.118 291 T CB -0.069 68.847 68.868 0.081 0.000 0.889 291 T HN 0.053 nan 8.240 nan 0.000 0.506 292 L N 1.085 122.344 121.223 0.060 0.000 2.298 292 L HA 0.315 4.651 4.340 -0.007 0.000 0.209 292 L C 1.217 178.092 176.870 0.008 0.000 1.084 292 L CA 0.833 55.696 54.840 0.039 0.000 0.816 292 L CB -0.726 41.361 42.059 0.045 0.000 0.967 292 L HN 0.184 nan 8.230 nan 0.000 0.460 293 T N 0.044 114.602 114.554 0.007 0.000 2.867 293 T HA 0.389 4.734 4.350 -0.007 0.000 0.297 293 T C 1.129 175.827 174.700 -0.002 0.000 0.989 293 T CA 0.875 62.973 62.100 -0.004 0.000 1.159 293 T CB 0.433 69.302 68.868 0.001 0.000 0.928 293 T HN 0.561 nan 8.240 nan 0.000 0.538 294 G N 3.113 111.907 108.800 -0.010 0.000 2.254 294 G HA2 -0.194 3.762 3.960 -0.007 0.000 0.225 294 G HA3 -0.194 3.762 3.960 -0.007 0.000 0.225 294 G C 0.135 175.028 174.900 -0.011 0.000 1.003 294 G CA -0.596 44.498 45.100 -0.009 0.000 0.622 294 G HN 0.580 nan 8.290 nan 0.000 0.507 295 K N 2.128 122.524 120.400 -0.007 0.000 2.350 295 K HA 0.461 4.776 4.320 -0.007 0.000 0.279 295 K C 0.706 177.299 176.600 -0.011 0.000 1.027 295 K CA 0.481 56.768 56.287 -0.000 0.000 0.969 295 K CB 1.274 33.782 32.500 0.014 0.000 0.954 295 K HN 0.693 nan 8.250 nan 0.000 0.474 296 S N 2.434 118.132 115.700 -0.002 0.000 2.513 296 S HA 0.358 4.823 4.470 -0.007 0.000 0.276 296 S C -0.083 174.526 174.600 0.015 0.000 1.254 296 S CA -0.983 57.214 58.200 -0.005 0.000 1.053 296 S CB 0.799 63.995 63.200 -0.006 0.000 0.958 296 S HN 0.440 nan 8.310 nan 0.000 0.491 297 L N 3.208 124.433 121.223 0.003 0.000 2.325 297 L HA 0.780 5.115 4.340 -0.007 0.000 0.278 297 L C -1.136 175.789 176.870 0.092 0.000 1.023 297 L CA -0.842 54.013 54.840 0.024 0.000 0.811 297 L CB 1.365 43.385 42.059 -0.065 0.000 1.249 297 L HN 0.812 nan 8.230 nan 0.000 0.431 298 F N 5.054 124.984 119.950 -0.032 0.000 2.551 298 F HA 0.729 5.252 4.527 -0.008 0.000 0.316 298 F C -1.005 174.775 175.800 -0.033 0.000 1.089 298 F CA -0.708 57.260 58.000 -0.053 0.000 0.915 298 F CB 1.857 40.852 39.000 -0.008 0.000 1.186 298 F HN 0.359 nan 8.300 nan 0.000 0.456 299 M N 6.598 125.902 119.600 -0.492 0.000 2.165 299 M HA 0.325 4.800 4.480 -0.007 0.000 0.283 299 M C -1.350 174.731 176.300 -0.366 0.000 0.978 299 M CA -0.446 54.720 55.300 -0.223 0.000 0.948 299 M CB 1.768 34.274 32.600 -0.157 0.000 1.599 299 M HN 0.398 nan 8.290 nan 0.000 0.450 300 F N 3.787 123.702 119.950 -0.058 0.000 2.440 300 F HA 0.371 4.894 4.527 -0.006 0.000 0.323 300 F C -1.634 174.138 175.800 -0.047 0.000 1.192 300 F CA -1.194 56.791 58.000 -0.024 0.000 1.252 300 F CB 0.282 39.315 39.000 0.055 0.000 1.214 300 F HN 0.294 nan 8.300 nan 0.000 0.578 301 P HA 0.238 nan 4.420 nan 0.000 0.279 301 P C -1.187 176.172 177.300 0.099 0.000 1.239 301 P CA 0.003 63.164 63.100 0.100 0.000 0.789 301 P CB 2.094 33.852 31.700 0.096 0.000 0.933 302 D N 0.163 120.623 120.400 0.100 0.000 2.435 302 D HA -0.065 4.571 4.640 -0.007 0.000 0.159 302 D C 1.328 177.799 176.300 0.286 0.000 1.452 302 D CA 0.301 54.370 54.000 0.116 0.000 1.417 302 D CB -0.263 40.550 40.800 0.021 0.000 2.058 302 D HN 0.395 nan 8.370 nan 0.000 0.311 303 S N -0.512 115.321 115.700 0.221 0.000 2.520 303 S HA 0.141 4.607 4.470 -0.007 0.000 0.219 303 S C 0.889 175.548 174.600 0.098 0.000 1.028 303 S CA 0.226 58.523 58.200 0.161 0.000 0.921 303 S CB 0.728 63.987 63.200 0.098 0.000 0.844 303 S HN 0.225 nan 8.310 nan 0.000 0.495 304 Q N -0.529 119.348 119.800 0.127 0.000 2.342 304 Q HA -0.136 4.200 4.340 -0.007 0.000 0.196 304 Q C 0.498 176.541 176.000 0.072 0.000 0.629 304 Q CA 1.234 57.123 55.803 0.143 0.000 1.365 304 Q CB -1.995 26.896 28.738 0.254 0.000 1.406 304 Q HN 0.599 nan 8.270 nan 0.000 0.840 305 L N -0.162 121.076 121.223 0.024 0.000 2.592 305 L HA 0.023 4.359 4.340 -0.007 0.000 0.227 305 L C 1.650 178.416 176.870 -0.174 0.000 1.127 305 L CA 0.145 54.914 54.840 -0.118 0.000 0.884 305 L CB 0.055 42.018 42.059 -0.161 0.000 1.065 305 L HN 0.106 nan 8.230 nan 0.000 0.457 306 E N 1.154 121.303 120.200 -0.085 0.000 2.038 306 E HA -0.227 4.118 4.350 -0.007 0.000 0.195 306 E C 2.115 178.652 176.600 -0.105 0.000 1.000 306 E CA 1.567 57.911 56.400 -0.093 0.000 0.803 306 E CB -0.212 29.447 29.700 -0.069 0.000 0.750 306 E HN 0.384 nan 8.360 nan 0.000 0.448 307 I N 0.624 121.155 120.570 -0.065 0.000 2.127 307 I HA -0.210 3.956 4.170 -0.007 0.000 0.241 307 I C -0.731 175.381 176.117 -0.010 0.000 1.075 307 I CA 1.233 62.516 61.300 -0.030 0.000 1.334 307 I CB -1.440 36.570 38.000 0.017 0.000 1.040 307 I HN 0.124 nan 8.210 nan 0.000 0.405 308 P HA -0.099 nan 4.420 nan 0.000 0.217 308 P C 1.977 179.249 177.300 -0.047 0.000 1.151 308 P CA 1.306 64.452 63.100 0.077 0.000 0.828 308 P CB 0.040 31.875 31.700 0.225 0.000 0.788 309 L N -0.782 120.266 121.223 -0.292 0.000 2.027 309 L HA -0.148 4.188 4.340 -0.007 0.000 0.206 309 L C 2.538 179.353 176.870 -0.091 0.000 1.074 309 L CA 1.592 56.285 54.840 -0.245 0.000 0.745 309 L CB -1.273 40.587 42.059 -0.332 0.000 0.898 309 L HN -0.059 nan 8.230 nan 0.000 0.433 310 A N -0.182 122.559 122.820 -0.132 0.000 1.917 310 A HA -0.260 4.056 4.320 -0.007 0.000 0.219 310 A C 2.451 180.002 177.584 -0.055 0.000 1.182 310 A CA 1.683 53.644 52.037 -0.125 0.000 0.633 310 A CB -0.619 18.309 19.000 -0.119 0.000 0.819 310 A HN 0.280 nan 8.150 nan 0.000 0.448 311 R N -1.196 119.312 120.500 0.013 0.000 2.120 311 R HA -0.150 4.186 4.340 -0.007 0.000 0.234 311 R C 1.872 178.234 176.300 0.103 0.000 1.123 311 R CA 1.905 58.049 56.100 0.073 0.000 0.975 311 R CB -0.614 29.756 30.300 0.118 0.000 0.866 311 R HN 0.610 nan 8.270 nan 0.000 0.446 312 F N 0.737 120.676 119.950 -0.018 0.000 2.187 312 F HA -0.024 4.498 4.527 -0.007 0.000 0.295 312 F C 1.870 177.645 175.800 -0.041 0.000 1.091 312 F CA 0.970 58.971 58.000 0.001 0.000 1.308 312 F CB -0.338 38.682 39.000 0.034 0.000 1.030 312 F HN -0.086 nan 8.300 nan 0.000 0.487 313 L N 0.299 121.305 121.223 -0.362 0.000 2.093 313 L HA -0.102 4.233 4.340 -0.007 0.000 0.208 313 L C 2.798 179.456 176.870 -0.354 0.000 1.085 313 L CA 1.089 55.617 54.840 -0.520 0.000 0.755 313 L CB -1.152 40.659 42.059 -0.413 0.000 0.904 313 L HN 0.293 nan 8.230 nan 0.000 0.435 314 A N 0.226 122.926 122.820 -0.200 0.000 1.854 314 A HA -0.141 4.174 4.320 -0.007 0.000 0.214 314 A C 2.412 179.977 177.584 -0.032 0.000 1.192 314 A CA 1.229 53.214 52.037 -0.087 0.000 0.611 314 A CB -0.354 18.633 19.000 -0.022 0.000 0.832 314 A HN 0.275 nan 8.150 nan 0.000 0.442 315 R N -0.414 120.070 120.500 -0.026 0.000 2.062 315 R HA -0.040 4.296 4.340 -0.007 0.000 0.229 315 R C 1.840 178.074 176.300 -0.110 0.000 1.128 315 R CA 1.563 57.656 56.100 -0.012 0.000 0.960 315 R CB -0.208 30.083 30.300 -0.016 0.000 0.855 315 R HN 0.622 nan 8.270 nan 0.000 0.432 316 E N -0.963 119.089 120.200 -0.248 0.000 2.415 316 E HA 0.021 4.366 4.350 -0.007 0.000 0.197 316 E C 0.854 177.285 176.600 -0.282 0.000 1.007 316 E CA 0.230 56.475 56.400 -0.258 0.000 0.890 316 E CB 0.630 30.177 29.700 -0.255 0.000 0.891 316 E HN 0.294 nan 8.360 nan 0.000 0.496 317 C N -0.023 119.069 119.300 -0.346 0.000 3.491 317 C HA 0.353 4.809 4.460 -0.007 0.000 0.298 317 C C 1.281 176.196 174.990 -0.125 0.000 1.424 317 C CA -0.127 58.758 59.018 -0.222 0.000 1.772 317 C CB -0.115 27.456 27.740 -0.282 0.000 2.447 317 C HN 0.537 nan 8.230 nan 0.000 0.670 318 G N 2.136 110.874 108.800 -0.103 0.000 2.323 318 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.292 318 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.292 318 G C -0.234 174.636 174.900 -0.050 0.000 1.040 318 G CA 0.255 45.329 45.100 -0.043 0.000 0.942 318 G HN 0.561 nan 8.290 nan 0.000 0.506 319 M N -0.452 119.099 119.600 -0.081 0.000 2.363 319 M HA 0.344 4.820 4.480 -0.007 0.000 0.343 319 M C 0.632 176.888 176.300 -0.072 0.000 1.165 319 M CA -0.460 54.793 55.300 -0.079 0.000 1.046 319 M CB 1.466 33.995 32.600 -0.117 0.000 1.648 319 M HN 0.073 nan 8.290 nan 0.000 0.452 320 K N 2.041 122.404 120.400 -0.061 0.000 2.349 320 K HA 0.189 4.505 4.320 -0.007 0.000 0.288 320 K C 0.036 176.595 176.600 -0.069 0.000 1.058 320 K CA -0.246 56.001 56.287 -0.068 0.000 0.953 320 K CB 0.413 32.881 32.500 -0.053 0.000 0.997 320 K HN 0.629 nan 8.250 nan 0.000 0.477 321 T N -0.377 114.126 114.554 -0.085 0.000 2.869 321 T HA 0.119 4.465 4.350 -0.007 0.000 0.295 321 T C 1.112 175.772 174.700 -0.067 0.000 0.987 321 T CA -0.578 61.471 62.100 -0.084 0.000 1.109 321 T CB 1.437 70.245 68.868 -0.100 0.000 0.932 321 T HN 0.701 nan 8.240 nan 0.000 0.518 322 T N 0.121 114.648 114.554 -0.045 0.000 3.556 322 T HA 0.302 4.648 4.350 -0.007 0.000 0.204 322 T C 0.204 174.868 174.700 -0.060 0.000 0.896 322 T CA -0.263 61.830 62.100 -0.013 0.000 1.380 322 T CB -0.203 68.709 68.868 0.073 0.000 1.584 322 T HN 0.733 nan 8.240 nan 0.000 0.411 323 E N 0.741 120.873 120.200 -0.114 0.000 2.129 323 E HA 0.450 4.796 4.350 -0.007 0.000 0.268 323 E C -1.254 174.964 176.600 -0.636 0.000 0.900 323 E CA -0.851 55.335 56.400 -0.357 0.000 0.755 323 E CB 0.848 30.352 29.700 -0.326 0.000 1.117 323 E HN 0.389 nan 8.360 nan 0.000 0.410 324 I N 3.705 124.039 120.570 -0.393 0.000 2.328 324 I HA 0.389 4.555 4.170 -0.007 0.000 0.287 324 I C 0.074 176.012 176.117 -0.299 0.000 1.012 324 I CA -0.557 60.540 61.300 -0.339 0.000 1.195 324 I CB 0.537 38.419 38.000 -0.198 0.000 1.350 324 I HN 0.496 nan 8.210 nan 0.000 0.464 325 A N 4.707 127.331 122.820 -0.326 0.000 2.337 325 A HA 0.808 5.124 4.320 -0.007 0.000 0.329 325 A C -0.097 177.435 177.584 -0.087 0.000 1.146 325 A CA -0.484 51.432 52.037 -0.203 0.000 0.800 325 A CB 1.528 20.388 19.000 -0.233 0.000 1.220 325 A HN 0.618 nan 8.150 nan 0.000 0.472 326 T N 2.182 116.715 114.554 -0.035 0.000 2.909 326 T HA 0.613 4.959 4.350 -0.007 0.000 0.299 326 T C -2.130 172.613 174.700 0.072 0.000 1.073 326 T CA -1.594 60.519 62.100 0.023 0.000 0.999 326 T CB 1.830 70.708 68.868 0.017 0.000 1.098 326 T HN 0.396 nan 8.240 nan 0.000 0.477 327 P HA 0.120 nan 4.420 nan 0.000 0.221 327 P C -0.079 177.377 177.300 0.260 0.000 1.150 327 P CA 0.610 63.812 63.100 0.171 0.000 0.800 327 P CB 0.239 32.049 31.700 0.184 0.000 0.787 328 F N -0.011 119.988 119.950 0.082 0.000 2.628 328 F HA 0.525 5.048 4.527 -0.007 0.000 0.309 328 F C -1.878 173.980 175.800 0.097 0.000 1.108 328 F CA -1.476 56.578 58.000 0.088 0.000 0.971 328 F CB 1.702 40.767 39.000 0.109 0.000 1.279 328 F HN -0.341 nan 8.300 nan 0.000 0.441 329 L N 6.629 127.427 121.223 -0.709 0.000 2.377 329 L HA 0.389 4.725 4.340 -0.007 0.000 0.270 329 L C -1.517 175.024 176.870 -0.549 0.000 0.991 329 L CA -0.380 54.210 54.840 -0.417 0.000 0.851 329 L CB 0.468 42.392 42.059 -0.225 0.000 1.218 329 L HN 0.711 nan 8.230 nan 0.000 0.420 330 H N 4.875 123.781 119.070 -0.274 0.000 2.846 330 H HA 0.208 4.760 4.556 -0.007 0.000 0.278 330 H C 0.572 175.891 175.328 -0.014 0.000 1.117 330 H CA 0.168 56.173 56.048 -0.072 0.000 1.406 330 H CB 1.096 30.981 29.762 0.204 0.000 1.445 330 H HN 0.687 nan 8.280 nan 0.000 0.469 331 K N 3.325 123.655 120.400 -0.116 0.000 2.032 331 K HA -0.144 4.172 4.320 -0.007 0.000 0.209 331 K C 1.886 178.558 176.600 0.121 0.000 1.048 331 K CA 1.411 57.689 56.287 -0.016 0.000 0.927 331 K CB 0.048 32.501 32.500 -0.078 0.000 0.712 331 K HN 0.585 nan 8.250 nan 0.000 0.441 332 A N 1.123 124.085 122.820 0.236 0.000 1.929 332 A HA -0.076 4.240 4.320 -0.007 0.000 0.216 332 A C 2.135 179.877 177.584 0.263 0.000 1.176 332 A CA 1.075 53.272 52.037 0.267 0.000 0.628 332 A CB -0.353 18.840 19.000 0.322 0.000 0.816 332 A HN 0.161 nan 8.150 nan 0.000 0.444 333 I N -1.787 119.023 120.570 0.399 0.000 2.339 333 I HA -0.115 4.051 4.170 -0.007 0.000 0.245 333 I C 2.152 178.414 176.117 0.241 0.000 1.096 333 I CA 0.913 62.322 61.300 0.182 0.000 1.408 333 I CB -0.134 37.882 38.000 0.027 0.000 1.092 333 I HN 0.182 nan 8.210 nan 0.000 0.423 334 M N 0.766 120.531 119.600 0.275 0.000 2.686 334 M HA 0.045 4.521 4.480 -0.007 0.000 0.246 334 M C 2.001 178.393 176.300 0.153 0.000 1.096 334 M CA 0.489 55.937 55.300 0.247 0.000 1.076 334 M CB -0.897 31.813 32.600 0.184 0.000 1.504 334 M HN 0.239 nan 8.290 nan 0.000 0.524 335 A N 0.908 123.796 122.820 0.113 0.000 1.859 335 A HA -0.125 4.191 4.320 -0.007 0.000 0.217 335 A C -0.245 177.365 177.584 0.043 0.000 1.198 335 A CA 1.695 53.770 52.037 0.063 0.000 0.629 335 A CB -2.102 16.925 19.000 0.046 0.000 0.830 335 A HN 0.364 nan 8.150 nan 0.000 0.446 336 P HA -0.119 nan 4.420 nan 0.000 0.218 336 P C 0.783 178.105 177.300 0.036 0.000 1.148 336 P CA 1.379 64.477 63.100 -0.003 0.000 0.822 336 P CB -0.084 31.579 31.700 -0.061 0.000 0.784 337 D N -0.629 119.818 120.400 0.079 0.000 2.085 337 D HA -0.077 4.559 4.640 -0.007 0.000 0.199 337 D C 2.100 178.458 176.300 0.096 0.000 0.981 337 D CA 0.989 55.063 54.000 0.122 0.000 0.834 337 D CB -0.535 40.394 40.800 0.216 0.000 0.992 337 D HN 0.113 nan 8.370 nan 0.000 0.457 338 L N 1.154 122.428 121.223 0.086 0.000 2.103 338 L HA -0.265 4.071 4.340 -0.007 0.000 0.215 338 L C 2.565 179.466 176.870 0.052 0.000 1.080 338 L CA 1.303 56.178 54.840 0.058 0.000 0.764 338 L CB -0.376 41.710 42.059 0.045 0.000 0.890 338 L HN 0.007 nan 8.230 nan 0.000 0.435 339 A N -0.478 122.373 122.820 0.051 0.000 2.015 339 A HA -0.061 4.254 4.320 -0.007 0.000 0.219 339 A C 1.969 179.595 177.584 0.070 0.000 1.163 339 A CA 1.140 53.206 52.037 0.047 0.000 0.646 339 A CB -0.368 18.651 19.000 0.030 0.000 0.806 339 A HN 0.488 nan 8.150 nan 0.000 0.448 340 L N -1.049 120.223 121.223 0.081 0.000 2.640 340 L HA 0.346 4.681 4.340 -0.007 0.000 0.230 340 L C 0.534 177.506 176.870 0.170 0.000 1.123 340 L CA -0.271 54.634 54.840 0.109 0.000 0.900 340 L CB -0.077 42.024 42.059 0.070 0.000 1.146 340 L HN 0.234 nan 8.230 nan 0.000 0.484 341 L N 3.451 124.747 121.223 0.123 0.000 2.319 341 L HA 0.341 4.677 4.340 -0.007 0.000 0.280 341 L C -1.876 175.034 176.870 0.066 0.000 1.099 341 L CA -1.739 53.158 54.840 0.094 0.000 0.828 341 L CB 1.267 43.350 42.059 0.041 0.000 1.150 341 L HN -0.170 nan 8.230 nan 0.000 0.442 342 P HA -0.052 nan 4.420 nan 0.000 0.264 342 P C 0.184 177.396 177.300 -0.147 0.000 1.173 342 P CA 0.194 63.165 63.100 -0.216 0.000 0.761 342 P CB 0.519 32.030 31.700 -0.315 0.000 0.794 343 S N 1.645 117.247 115.700 -0.164 0.000 2.428 343 S HA -0.128 4.338 4.470 -0.007 0.000 0.230 343 S C 1.367 175.908 174.600 -0.098 0.000 1.014 343 S CA 0.736 58.876 58.200 -0.100 0.000 0.957 343 S CB -0.838 62.311 63.200 -0.085 0.000 0.784 343 S HN 0.658 nan 8.310 nan 0.000 0.499 344 N N 1.930 120.554 118.700 -0.127 0.000 2.617 344 N HA -0.064 4.672 4.740 -0.007 0.000 0.198 344 N C -0.762 174.695 175.510 -0.087 0.000 1.317 344 N CA 0.461 53.449 53.050 -0.103 0.000 0.892 344 N CB -0.296 38.120 38.487 -0.119 0.000 1.041 344 N HN 0.144 nan 8.380 nan 0.000 0.450 345 T N 0.964 115.467 114.554 -0.085 0.000 2.767 345 T HA 0.515 4.861 4.350 -0.007 0.000 0.284 345 T C 0.061 174.716 174.700 -0.074 0.000 0.973 345 T CA -0.596 61.454 62.100 -0.083 0.000 0.996 345 T CB 1.519 70.336 68.868 -0.085 0.000 0.927 345 T HN 0.330 nan 8.240 nan 0.000 0.456 346 A N 4.185 126.958 122.820 -0.079 0.000 2.363 346 A HA 0.695 5.011 4.320 -0.007 0.000 0.270 346 A C -0.375 177.148 177.584 -0.101 0.000 1.121 346 A CA -0.444 51.547 52.037 -0.077 0.000 0.800 346 A CB 0.037 18.997 19.000 -0.066 0.000 1.052 346 A HN 0.842 nan 8.150 nan 0.000 0.493 347 L N 2.014 123.186 121.223 -0.084 0.000 2.385 347 L HA 0.527 4.863 4.340 -0.007 0.000 0.273 347 L C -0.300 176.521 176.870 -0.082 0.000 0.990 347 L CA -0.320 54.465 54.840 -0.092 0.000 0.821 347 L CB 2.556 44.572 42.059 -0.071 0.000 1.279 347 L HN 0.690 nan 8.230 nan 0.000 0.412 348 T N 1.383 115.879 114.554 -0.096 0.000 2.824 348 T HA 0.302 4.648 4.350 -0.007 0.000 0.282 348 T C -0.755 173.915 174.700 -0.050 0.000 0.993 348 T CA -0.562 61.496 62.100 -0.069 0.000 0.967 348 T CB 2.046 70.867 68.868 -0.078 0.000 0.960 348 T HN 0.497 nan 8.240 nan 0.000 0.441 349 E N 2.053 122.235 120.200 -0.031 0.000 2.151 349 E HA 0.530 4.876 4.350 -0.007 0.000 0.275 349 E C 0.755 177.373 176.600 0.029 0.000 0.936 349 E CA -0.078 56.315 56.400 -0.011 0.000 0.777 349 E CB 0.838 30.511 29.700 -0.045 0.000 1.108 349 E HN 0.922 nan 8.360 nan 0.000 0.401 350 G N 3.406 112.244 108.800 0.064 0.000 2.539 350 G HA2 -0.293 3.663 3.960 -0.007 0.000 0.256 350 G HA3 -0.293 3.663 3.960 -0.007 0.000 0.256 350 G C -0.551 174.390 174.900 0.070 0.000 1.233 350 G CA 0.393 45.542 45.100 0.082 0.000 0.936 350 G HN 0.843 nan 8.290 nan 0.000 0.571 351 Q N -1.360 118.485 119.800 0.074 0.000 2.848 351 Q HA 0.524 4.860 4.340 -0.007 0.000 0.288 351 Q C -2.270 173.777 176.000 0.079 0.000 0.907 351 Q CA -0.373 55.479 55.803 0.082 0.000 0.792 351 Q CB 1.368 30.178 28.738 0.119 0.000 1.534 351 Q HN 0.683 nan 8.270 nan 0.000 0.419 352 D N 1.635 122.086 120.400 0.084 0.000 2.438 352 D HA 0.199 4.835 4.640 -0.007 0.000 0.257 352 D C 0.437 176.799 176.300 0.104 0.000 1.148 352 D CA -0.642 53.406 54.000 0.079 0.000 0.902 352 D CB 1.421 42.259 40.800 0.063 0.000 1.062 352 D HN 0.608 nan 8.370 nan 0.000 0.518 353 L N 3.678 124.966 121.223 0.108 0.000 2.030 353 L HA -0.236 4.099 4.340 -0.007 0.000 0.222 353 L C 1.725 178.676 176.870 0.135 0.000 1.082 353 L CA 2.028 56.947 54.840 0.132 0.000 0.785 353 L CB -0.168 41.933 42.059 0.070 0.000 0.895 353 L HN 0.424 nan 8.230 nan 0.000 0.439 354 E N -0.440 119.813 120.200 0.089 0.000 2.106 354 E HA -0.161 4.185 4.350 -0.007 0.000 0.192 354 E C 2.187 178.839 176.600 0.087 0.000 0.984 354 E CA 1.260 57.706 56.400 0.077 0.000 0.806 354 E CB -0.477 29.254 29.700 0.052 0.000 0.750 354 E HN 0.687 nan 8.360 nan 0.000 0.458 355 A N 1.540 124.412 122.820 0.086 0.000 1.877 355 A HA -0.221 4.095 4.320 -0.007 0.000 0.216 355 A C 2.166 179.814 177.584 0.105 0.000 1.186 355 A CA 1.357 53.442 52.037 0.080 0.000 0.620 355 A CB -0.521 18.518 19.000 0.066 0.000 0.822 355 A HN 0.183 nan 8.150 nan 0.000 0.443 356 Q N -0.447 119.442 119.800 0.147 0.000 2.077 356 Q HA -0.168 4.168 4.340 -0.007 0.000 0.206 356 Q C 2.104 178.227 176.000 0.206 0.000 0.989 356 Q CA 1.546 57.468 55.803 0.198 0.000 0.853 356 Q CB -0.395 28.520 28.738 0.294 0.000 0.907 356 Q HN 0.686 nan 8.270 nan 0.000 0.418 357 L N 0.725 122.086 121.223 0.231 0.000 2.265 357 L HA -0.210 4.126 4.340 -0.007 0.000 0.215 357 L C 1.474 178.418 176.870 0.122 0.000 1.117 357 L CA 0.804 55.754 54.840 0.183 0.000 0.782 357 L CB -0.338 41.796 42.059 0.125 0.000 0.914 357 L HN 0.191 nan 8.230 nan 0.000 0.441 358 D N -0.448 120.008 120.400 0.093 0.000 2.201 358 D HA -0.057 4.579 4.640 -0.007 0.000 0.209 358 D C 2.291 178.611 176.300 0.033 0.000 0.961 358 D CA 0.703 54.737 54.000 0.058 0.000 0.861 358 D CB -0.035 40.795 40.800 0.049 0.000 0.997 358 D HN 0.171 nan 8.370 nan 0.000 0.486 359 R N -0.142 120.385 120.500 0.046 0.000 2.096 359 R HA -0.139 4.197 4.340 -0.007 0.000 0.235 359 R C 2.162 178.431 176.300 -0.053 0.000 1.127 359 R CA 1.216 57.334 56.100 0.031 0.000 0.968 359 R CB -0.498 29.855 30.300 0.087 0.000 0.861 359 R HN 0.395 nan 8.270 nan 0.000 0.440 360 H N 0.950 119.855 119.070 -0.275 0.000 2.333 360 H HA -0.068 4.484 4.556 -0.007 0.000 0.302 360 H C 2.150 177.237 175.328 -0.400 0.000 1.075 360 H CA 1.778 57.428 56.048 -0.665 0.000 1.348 360 H CB 0.050 29.247 29.762 -0.942 0.000 1.393 360 H HN 0.203 nan 8.280 nan 0.000 0.509 361 E N 0.292 120.414 120.200 -0.129 0.000 2.110 361 E HA -0.178 4.168 4.350 -0.007 0.000 0.193 361 E C 2.149 178.683 176.600 -0.111 0.000 0.988 361 E CA 0.969 57.328 56.400 -0.067 0.000 0.804 361 E CB -0.259 29.489 29.700 0.080 0.000 0.745 361 E HN 0.613 nan 8.360 nan 0.000 0.458 362 A N 0.738 123.500 122.820 -0.098 0.000 2.014 362 A HA -0.037 4.278 4.320 -0.007 0.000 0.218 362 A C 2.079 179.598 177.584 -0.109 0.000 1.163 362 A CA 0.737 52.730 52.037 -0.073 0.000 0.652 362 A CB -0.280 18.696 19.000 -0.040 0.000 0.808 362 A HN 0.321 nan 8.150 nan 0.000 0.449 363 I N -1.338 119.115 120.570 -0.194 0.000 2.703 363 I HA -0.082 4.084 4.170 -0.007 0.000 0.259 363 I C 0.701 176.680 176.117 -0.230 0.000 1.151 363 I CA 0.532 61.717 61.300 -0.192 0.000 1.470 363 I CB -0.240 37.652 38.000 -0.180 0.000 1.112 363 I HN 0.477 nan 8.210 nan 0.000 0.437 364 N N 1.581 120.060 118.700 -0.368 0.000 2.614 364 N HA -0.124 4.612 4.740 -0.007 0.000 0.276 364 N C -2.562 172.824 175.510 -0.207 0.000 1.119 364 N CA -0.062 52.829 53.050 -0.264 0.000 0.742 364 N CB -0.523 37.942 38.487 -0.036 0.000 0.900 364 N HN 0.119 nan 8.380 nan 0.000 0.549 365 P HA 0.233 nan 4.420 nan 0.000 0.277 365 P C 0.344 177.644 177.300 -0.000 0.000 1.240 365 P CA -0.431 62.598 63.100 -0.117 0.000 0.798 365 P CB 0.729 32.389 31.700 -0.067 0.000 0.979 366 D N 0.191 120.612 120.400 0.036 0.000 2.078 366 D HA -0.081 4.555 4.640 -0.007 0.000 0.193 366 D C 0.515 176.879 176.300 0.106 0.000 0.990 366 D CA 1.657 55.697 54.000 0.067 0.000 0.827 366 D CB -0.203 40.624 40.800 0.046 0.000 0.975 366 D HN 0.157 nan 8.370 nan 0.000 0.451 367 L N 0.001 121.291 121.223 0.110 0.000 2.346 367 L HA 0.357 4.693 4.340 -0.007 0.000 0.276 367 L C -0.838 176.149 176.870 0.196 0.000 1.006 367 L CA -0.171 54.760 54.840 0.152 0.000 0.817 367 L CB 2.292 44.437 42.059 0.144 0.000 1.272 367 L HN -0.249 nan 8.230 nan 0.000 0.421 368 T N 3.973 118.674 114.554 0.245 0.000 2.786 368 T HA 0.507 4.853 4.350 -0.007 0.000 0.283 368 T C -0.731 174.147 174.700 0.298 0.000 0.992 368 T CA -0.401 61.897 62.100 0.329 0.000 0.954 368 T CB 1.387 70.469 68.868 0.357 0.000 0.934 368 T HN 0.288 nan 8.240 nan 0.000 0.440 369 V N 4.219 124.314 119.914 0.302 0.000 2.364 369 V HA 0.567 4.683 4.120 -0.007 0.000 0.272 369 V C 0.556 176.811 176.094 0.268 0.000 1.036 369 V CA -0.583 61.867 62.300 0.250 0.000 0.880 369 V CB -0.074 31.889 31.823 0.233 0.000 0.991 369 V HN 1.202 nan 8.190 nan 0.000 0.460 370 C N 2.830 122.243 119.300 0.189 0.000 3.332 370 C HA 0.936 5.392 4.460 -0.007 0.000 0.329 370 C C 0.581 175.580 174.990 0.015 0.000 1.434 370 C CA -0.368 58.718 59.018 0.114 0.000 1.314 370 C CB 1.208 28.959 27.740 0.017 0.000 1.664 370 C HN 0.978 nan 8.230 nan 0.000 0.457 371 G N 0.295 109.028 108.800 -0.110 0.000 2.606 371 G HA2 0.449 4.405 3.960 -0.007 0.000 0.252 371 G HA3 0.449 4.405 3.960 -0.007 0.000 0.252 371 G C 0.373 175.199 174.900 -0.124 0.000 1.206 371 G CA -0.436 44.560 45.100 -0.173 0.000 0.861 371 G HN 0.870 nan 8.290 nan 0.000 0.561 372 L N 1.731 122.876 121.223 -0.130 0.000 2.265 372 L HA 0.032 4.367 4.340 -0.007 0.000 0.215 372 L C 2.801 179.596 176.870 -0.125 0.000 1.117 372 L CA 1.843 56.606 54.840 -0.129 0.000 0.782 372 L CB -0.860 41.089 42.059 -0.183 0.000 0.914 372 L HN 0.674 nan 8.230 nan 0.000 0.441 373 G N -2.224 106.498 108.800 -0.129 0.000 2.712 373 G HA2 -0.087 3.869 3.960 -0.007 0.000 0.212 373 G HA3 -0.087 3.869 3.960 -0.007 0.000 0.212 373 G C 1.398 176.224 174.900 -0.124 0.000 1.142 373 G CA 0.137 45.174 45.100 -0.105 0.000 0.789 373 G HN 0.306 nan 8.290 nan 0.000 0.535 374 L N -0.184 120.940 121.223 -0.165 0.000 2.642 374 L HA 0.532 4.868 4.340 -0.007 0.000 0.233 374 L C 2.680 179.464 176.870 -0.143 0.000 1.077 374 L CA 0.896 55.611 54.840 -0.208 0.000 0.879 374 L CB 0.040 41.867 42.059 -0.387 0.000 1.151 374 L HN 0.131 nan 8.230 nan 0.000 0.495 375 A N -0.211 122.554 122.820 -0.093 0.000 1.855 375 A HA -0.208 4.108 4.320 -0.007 0.000 0.215 375 A C 2.041 179.621 177.584 -0.007 0.000 1.191 375 A CA 2.129 54.151 52.037 -0.024 0.000 0.613 375 A CB -0.697 18.316 19.000 0.022 0.000 0.829 375 A HN 0.551 nan 8.150 nan 0.000 0.442 376 N N -0.337 118.346 118.700 -0.028 0.000 2.106 376 N HA -0.086 4.650 4.740 -0.007 0.000 0.188 376 N C -1.112 174.393 175.510 -0.010 0.000 1.029 376 N CA 1.302 54.342 53.050 -0.017 0.000 0.848 376 N CB -0.557 37.910 38.487 -0.033 0.000 1.007 376 N HN 0.309 nan 8.380 nan 0.000 0.423 377 P HA -0.095 nan 4.420 nan 0.000 0.221 377 P C 0.922 178.229 177.300 0.012 0.000 1.145 377 P CA 0.771 63.862 63.100 -0.014 0.000 0.795 377 P CB 0.164 31.844 31.700 -0.033 0.000 0.775 378 L N -0.671 120.566 121.223 0.023 0.000 2.341 378 L HA -0.023 4.313 4.340 -0.007 0.000 0.214 378 L C 2.163 179.108 176.870 0.125 0.000 1.115 378 L CA 1.650 56.557 54.840 0.111 0.000 0.820 378 L CB -1.034 41.075 42.059 0.084 0.000 0.944 378 L HN -0.050 nan 8.230 nan 0.000 0.452 379 E N -0.683 119.557 120.200 0.067 0.000 2.122 379 E HA 0.013 4.359 4.350 -0.007 0.000 0.190 379 E C 2.150 178.758 176.600 0.013 0.000 0.977 379 E CA 1.041 57.471 56.400 0.051 0.000 0.820 379 E CB 0.008 29.734 29.700 0.044 0.000 0.770 379 E HN 0.391 nan 8.360 nan 0.000 0.462 380 A N 1.141 123.964 122.820 0.005 0.000 2.066 380 A HA -0.106 4.210 4.320 -0.007 0.000 0.218 380 A C 2.020 179.589 177.584 -0.025 0.000 1.157 380 A CA 1.123 53.154 52.037 -0.009 0.000 0.670 380 A CB -0.053 18.942 19.000 -0.007 0.000 0.804 380 A HN -0.081 nan 8.150 nan 0.000 0.453 381 K N -1.390 118.994 120.400 -0.026 0.000 2.393 381 K HA 0.218 4.534 4.320 -0.007 0.000 0.193 381 K C 1.012 177.493 176.600 -0.199 0.000 1.026 381 K CA 0.773 57.023 56.287 -0.060 0.000 1.064 381 K CB 0.044 32.551 32.500 0.012 0.000 0.833 381 K HN 0.679 nan 8.250 nan 0.000 0.521 382 G N -0.371 108.317 108.800 -0.187 0.000 2.229 382 G HA2 -0.189 3.766 3.960 -0.007 0.000 0.189 382 G HA3 -0.189 3.766 3.960 -0.007 0.000 0.189 382 G C -0.569 174.188 174.900 -0.238 0.000 1.000 382 G CA -0.169 44.793 45.100 -0.230 0.000 0.663 382 G HN 0.477 nan 8.290 nan 0.000 0.493 383 H N 1.037 120.146 119.070 0.064 0.000 2.502 383 H HA 0.692 5.243 4.556 -0.007 0.000 0.327 383 H C 0.699 176.078 175.328 0.085 0.000 1.099 383 H CA 0.089 56.188 56.048 0.086 0.000 1.323 383 H CB 1.618 31.474 29.762 0.157 0.000 1.450 383 H HN 0.512 nan 8.280 nan 0.000 0.502 384 A N 2.583 125.526 122.820 0.204 0.000 2.440 384 A HA 0.432 4.748 4.320 -0.007 0.000 0.251 384 A C 0.517 178.211 177.584 0.184 0.000 1.089 384 A CA 0.022 52.154 52.037 0.157 0.000 0.779 384 A CB -0.036 19.040 19.000 0.127 0.000 1.022 384 A HN 0.814 nan 8.150 nan 0.000 0.492 385 T N -0.547 114.103 114.554 0.161 0.000 2.901 385 T HA 0.725 5.070 4.350 -0.007 0.000 0.293 385 T C -0.821 173.973 174.700 0.156 0.000 1.084 385 T CA -0.880 61.322 62.100 0.171 0.000 1.008 385 T CB 1.697 70.658 68.868 0.155 0.000 1.170 385 T HN 0.660 nan 8.240 nan 0.000 0.509 386 K N 2.298 122.788 120.400 0.150 0.000 2.545 386 K HA 0.382 4.698 4.320 -0.007 0.000 0.252 386 K C -0.615 176.020 176.600 0.058 0.000 0.948 386 K CA -1.247 55.073 56.287 0.056 0.000 0.827 386 K CB 0.627 33.097 32.500 -0.049 0.000 1.128 386 K HN 0.805 nan 8.250 nan 0.000 0.429 387 W N 4.245 125.514 121.300 -0.052 0.000 2.210 387 W HA 0.408 5.064 4.660 -0.006 0.000 0.330 387 W C 0.156 176.620 176.519 -0.091 0.000 1.334 387 W CA -0.207 57.099 57.345 -0.064 0.000 1.227 387 W CB 0.022 29.446 29.460 -0.060 0.000 1.178 387 W HN 0.637 nan 8.180 nan 0.000 0.560 388 A N 3.912 126.758 122.820 0.042 0.000 1.898 388 A HA -0.100 4.216 4.320 -0.007 0.000 0.214 388 A C 1.883 179.375 177.584 -0.154 0.000 1.183 388 A CA 1.487 53.471 52.037 -0.089 0.000 0.622 388 A CB -0.508 18.483 19.000 -0.013 0.000 0.824 388 A HN 0.611 nan 8.150 nan 0.000 0.444 389 I N 0.442 121.039 120.570 0.045 0.000 2.248 389 I HA -0.293 3.872 4.170 -0.007 0.000 0.248 389 I C 2.137 178.204 176.117 -0.082 0.000 1.107 389 I CA 1.801 63.207 61.300 0.178 0.000 1.373 389 I CB -0.803 37.473 38.000 0.460 0.000 1.055 389 I HN 0.493 nan 8.210 nan 0.000 0.418 390 E N 1.186 120.933 120.200 -0.755 0.000 2.095 390 E HA -0.281 4.065 4.350 -0.007 0.000 0.212 390 E C 2.208 178.157 176.600 -1.085 0.000 1.044 390 E CA 1.987 57.599 56.400 -1.314 0.000 0.857 390 E CB -0.318 28.380 29.700 -1.669 0.000 0.764 390 E HN 0.508 nan 8.360 nan 0.000 0.462 391 L N 0.144 120.934 121.223 -0.721 0.000 2.263 391 L HA -0.215 4.121 4.340 -0.007 0.000 0.216 391 L C 2.374 178.991 176.870 -0.423 0.000 1.111 391 L CA 0.501 55.029 54.840 -0.519 0.000 0.773 391 L CB -0.401 41.443 42.059 -0.358 0.000 0.906 391 L HN 0.133 nan 8.230 nan 0.000 0.439 392 V N -0.061 119.625 119.914 -0.381 0.000 2.302 392 V HA -0.250 3.866 4.120 -0.007 0.000 0.243 392 V C 2.118 177.961 176.094 -0.419 0.000 1.036 392 V CA 2.068 64.112 62.300 -0.427 0.000 1.020 392 V CB -0.459 31.051 31.823 -0.523 0.000 0.657 392 V HN 0.534 nan 8.190 nan 0.000 0.453 393 F N 0.529 120.299 119.950 -0.299 0.000 2.569 393 F HA 0.233 4.756 4.527 -0.007 0.000 0.295 393 F C 1.014 176.711 175.800 -0.171 0.000 1.115 393 F CA -0.103 57.760 58.000 -0.229 0.000 1.450 393 F CB -1.545 37.395 39.000 -0.099 0.000 1.107 393 F HN -0.054 nan 8.300 nan 0.000 0.563 394 T N 3.825 117.983 114.554 -0.659 0.000 2.907 394 T HA 0.283 4.629 4.350 -0.007 0.000 0.298 394 T C -2.493 172.051 174.700 -0.261 0.000 1.017 394 T CA -1.052 60.797 62.100 -0.419 0.000 1.118 394 T CB 0.848 69.350 68.868 -0.611 0.000 0.948 394 T HN -0.101 nan 8.240 nan 0.000 0.531 395 P HA 0.192 nan 4.420 nan 0.000 0.271 395 P C 0.493 177.688 177.300 -0.175 0.000 1.226 395 P CA -0.209 62.812 63.100 -0.131 0.000 0.765 395 P CB 0.542 32.197 31.700 -0.075 0.000 0.835 396 V N -0.386 119.397 119.914 -0.218 0.000 3.213 396 V HA 0.195 4.311 4.120 -0.007 0.000 0.260 396 V C 0.404 176.347 176.094 -0.251 0.000 1.663 396 V CA 0.106 62.266 62.300 -0.234 0.000 1.026 396 V CB -1.202 30.472 31.823 -0.249 0.000 0.874 396 V HN 0.354 nan 8.190 nan 0.000 0.410 397 H N 0.641 119.607 119.070 -0.172 0.000 2.690 397 H HA 0.564 5.115 4.556 -0.007 0.000 0.365 397 H C -0.158 175.123 175.328 -0.077 0.000 1.142 397 H CA 0.956 56.819 56.048 -0.308 0.000 1.417 397 H CB 0.212 29.840 29.762 -0.224 0.000 1.446 397 H HN 0.243 nan 8.280 nan 0.000 0.599 398 F N -1.793 117.919 119.950 -0.397 0.000 2.183 398 F HA -0.391 4.132 4.527 -0.007 0.000 0.318 398 F C 0.552 176.184 175.800 -0.280 0.000 0.255 398 F CA 0.343 58.083 58.000 -0.432 0.000 0.912 398 F CB -1.247 37.547 39.000 -0.343 0.000 4.135 398 F HN 0.518 nan 8.300 nan 0.000 0.137 399 Y N -0.276 120.107 120.300 0.138 0.000 2.114 399 Y HA -0.057 4.489 4.550 -0.007 0.000 0.284 399 Y C 2.224 178.147 175.900 0.039 0.000 1.119 399 Y CA 1.607 59.741 58.100 0.056 0.000 1.108 399 Y CB -0.595 37.898 38.460 0.056 0.000 0.995 399 Y HN 0.411 nan 8.280 nan 0.000 0.491 400 E N 0.194 120.523 120.200 0.215 0.000 2.396 400 E HA -0.203 4.143 4.350 -0.007 0.000 0.200 400 E C 1.528 178.168 176.600 0.067 0.000 1.023 400 E CA 1.058 57.524 56.400 0.111 0.000 0.857 400 E CB -0.170 29.572 29.700 0.069 0.000 0.775 400 E HN 0.550 nan 8.360 nan 0.000 0.525 401 Q N -1.019 118.811 119.800 0.050 0.000 2.319 401 Q HA 0.271 4.607 4.340 -0.007 0.000 0.209 401 Q C 1.746 177.733 176.000 -0.022 0.000 0.884 401 Q CA 0.581 56.383 55.803 -0.003 0.000 0.938 401 Q CB 0.368 29.082 28.738 -0.040 0.000 1.098 401 Q HN 0.225 nan 8.270 nan 0.000 0.517 402 A N 0.488 123.313 122.820 0.009 0.000 1.917 402 A HA -0.151 4.165 4.320 -0.007 0.000 0.219 402 A C 2.096 179.732 177.584 0.087 0.000 1.182 402 A CA 1.888 53.926 52.037 0.003 0.000 0.633 402 A CB -1.227 17.834 19.000 0.102 0.000 0.819 402 A HN 0.446 nan 8.150 nan 0.000 0.448 403 G N 0.109 108.984 108.800 0.125 0.000 2.511 403 G HA2 -0.297 3.658 3.960 -0.007 0.000 0.216 403 G HA3 -0.297 3.658 3.960 -0.007 0.000 0.216 403 G C 1.101 176.078 174.900 0.128 0.000 1.218 403 G CA 1.201 46.417 45.100 0.193 0.000 0.788 403 G HN 0.473 nan 8.290 nan 0.000 0.560 404 D N 0.190 120.621 120.400 0.052 0.000 2.172 404 D HA -0.141 4.495 4.640 -0.007 0.000 0.196 404 D C 2.318 178.553 176.300 -0.107 0.000 0.999 404 D CA 0.913 54.896 54.000 -0.029 0.000 0.856 404 D CB -0.363 40.408 40.800 -0.047 0.000 0.934 404 D HN 0.254 nan 8.370 nan 0.000 0.453 405 L N 1.062 122.233 121.223 -0.087 0.000 1.973 405 L HA -0.042 4.294 4.340 -0.007 0.000 0.208 405 L C 2.257 179.167 176.870 0.067 0.000 1.073 405 L CA 2.104 56.887 54.840 -0.096 0.000 0.746 405 L CB -1.192 40.750 42.059 -0.194 0.000 0.891 405 L HN 0.009 nan 8.230 nan 0.000 0.433 406 A N -0.238 122.695 122.820 0.189 0.000 1.915 406 A HA -0.240 4.076 4.320 -0.007 0.000 0.220 406 A C 2.360 179.808 177.584 -0.227 0.000 1.198 406 A CA 2.216 54.384 52.037 0.219 0.000 0.647 406 A CB -1.835 17.313 19.000 0.247 0.000 0.825 406 A HN 0.622 nan 8.150 nan 0.000 0.456 407 G N -0.472 107.963 108.800 -0.609 0.000 2.476 407 G HA2 -0.212 3.744 3.960 -0.007 0.000 0.218 407 G HA3 -0.212 3.744 3.960 -0.007 0.000 0.218 407 G C 1.348 176.071 174.900 -0.294 0.000 1.164 407 G CA 1.233 45.947 45.100 -0.644 0.000 0.768 407 G HN 0.378 nan 8.290 nan 0.000 0.560 408 L N -0.302 120.734 121.223 -0.312 0.000 2.137 408 L HA -0.023 4.312 4.340 -0.007 0.000 0.213 408 L C 2.488 179.044 176.870 -0.523 0.000 1.085 408 L CA 1.269 55.828 54.840 -0.468 0.000 0.760 408 L CB -0.828 40.817 42.059 -0.689 0.000 0.893 408 L HN 0.267 nan 8.230 nan 0.000 0.434 409 F N -1.747 118.125 119.950 -0.129 0.000 2.446 409 F HA -0.020 4.504 4.527 -0.005 0.000 0.292 409 F C 2.649 178.425 175.800 -0.041 0.000 1.096 409 F CA 0.832 58.790 58.000 -0.071 0.000 1.438 409 F CB -0.869 38.110 39.000 -0.036 0.000 1.107 409 F HN 0.128 nan 8.300 nan 0.000 0.546 410 S N 0.561 116.319 115.700 0.097 0.000 2.371 410 S HA -0.192 4.273 4.470 -0.007 0.000 0.224 410 S C 2.203 176.853 174.600 0.083 0.000 1.029 410 S CA 0.870 59.133 58.200 0.105 0.000 0.978 410 S CB -0.563 62.734 63.200 0.163 0.000 0.833 410 S HN 0.326 nan 8.310 nan 0.000 0.466 411 R N 2.352 122.872 120.500 0.035 0.000 2.112 411 R HA -0.091 4.245 4.340 -0.007 0.000 0.242 411 R C -0.567 175.762 176.300 0.047 0.000 1.137 411 R CA 2.395 58.516 56.100 0.035 0.000 0.944 411 R CB -1.318 28.978 30.300 -0.007 0.000 0.857 411 R HN 0.457 nan 8.270 nan 0.000 0.435 412 P HA -0.171 nan 4.420 nan 0.000 0.215 412 P C 1.390 178.734 177.300 0.074 0.000 1.157 412 P CA 1.484 64.623 63.100 0.065 0.000 0.863 412 P CB -0.162 31.582 31.700 0.074 0.000 0.787 413 L N -0.864 120.409 121.223 0.083 0.000 2.079 413 L HA -0.152 4.183 4.340 -0.007 0.000 0.210 413 L C 3.069 179.980 176.870 0.068 0.000 1.081 413 L CA 1.492 56.380 54.840 0.080 0.000 0.752 413 L CB -0.779 41.331 42.059 0.085 0.000 0.896 413 L HN -0.102 nan 8.230 nan 0.000 0.433 414 R N 0.008 120.551 120.500 0.071 0.000 2.070 414 R HA -0.192 4.144 4.340 -0.007 0.000 0.233 414 R C 2.363 178.695 176.300 0.053 0.000 1.137 414 R CA 1.544 57.682 56.100 0.063 0.000 0.945 414 R CB -0.556 29.788 30.300 0.073 0.000 0.845 414 R HN 0.336 nan 8.270 nan 0.000 0.430 415 R N 1.029 121.561 120.500 0.054 0.000 2.105 415 R HA -0.144 4.192 4.340 -0.007 0.000 0.239 415 R C 2.379 178.705 176.300 0.044 0.000 1.135 415 R CA 1.600 57.728 56.100 0.048 0.000 0.967 415 R CB -0.170 30.160 30.300 0.051 0.000 0.861 415 R HN 0.086 nan 8.270 nan 0.000 0.442 416 R N -0.200 120.329 120.500 0.048 0.000 2.092 416 R HA -0.096 4.240 4.340 -0.007 0.000 0.231 416 R C 2.096 178.417 176.300 0.035 0.000 1.119 416 R CA 1.415 57.541 56.100 0.043 0.000 0.970 416 R CB -0.242 30.088 30.300 0.051 0.000 0.864 416 R HN 0.328 nan 8.270 nan 0.000 0.440 417 A N 1.067 123.909 122.820 0.037 0.000 1.858 417 A HA -0.174 4.142 4.320 -0.007 0.000 0.216 417 A C 1.982 179.581 177.584 0.026 0.000 1.190 417 A CA 1.156 53.211 52.037 0.030 0.000 0.617 417 A CB -0.731 18.289 19.000 0.033 0.000 0.827 417 A HN 0.351 nan 8.150 nan 0.000 0.443 418 L N -0.846 120.394 121.223 0.029 0.000 2.263 418 L HA -0.040 4.295 4.340 -0.007 0.000 0.216 418 L C 1.378 178.261 176.870 0.022 0.000 1.111 418 L CA 1.401 56.257 54.840 0.026 0.000 0.773 418 L CB -0.445 41.631 42.059 0.029 0.000 0.906 418 L HN 0.368 nan 8.230 nan 0.000 0.439 419 L N -0.094 121.143 121.223 0.022 0.000 2.912 419 L HA 0.251 4.587 4.340 -0.007 0.000 0.240 419 L C -0.369 176.510 176.870 0.014 0.000 1.262 419 L CA -0.161 54.690 54.840 0.018 0.000 1.058 419 L CB -0.616 41.455 42.059 0.020 0.000 1.383 419 L HN 0.546 nan 8.230 nan 0.000 0.512 420 N N 0.000 118.708 118.700 0.014 0.000 1.763 420 N HA 0.000 4.736 4.740 -0.007 0.000 0.220 420 N CA 0.000 53.056 53.050 0.011 0.000 0.885 420 N CB 0.000 38.492 38.487 0.009 0.000 1.341 420 N HN 0.000 nan 8.380 nan 0.000 0.667