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 3p1l_1_A DATA FIRST_RESID 31 DATA SEQUENCE KMSPLPTVEN QFTPTTAWST SVGSGIGNFY SNLHPALADN VVYAADRAGL DATA SEQUENCE VKALNADDGK EIWSVSLAEK DGWFSKEPAL LSGGVTVSGG HVYIGSEKAQ DATA SEQUENCE VYALNTSDGT VAWQTKVAGE ALSRPVVSDG LVLIHTSNGQ LQALNEADGA DATA SEQUENCE VKWTVNLDMP SLSLRGESAP TTAFGAAVVG GDNGRVSAVL MEQGQMIWQQ DATA SEQUENCE RISQATGSTE IDRLSDVDTT PVVVNGVVFA LAYNGNLTAL DLRSGQIMWK DATA SEQUENCE RELGSVNDFI VDGNRIYLVD QNDRVMALTI DGGVTLWTQS DLLHRLLTSP DATA SEQUENCE VLYNGNLVVG DSEGYLHWIN VEDGRFVAQQ KVDSSGFQTE PVAADGKLLI DATA SEQUENCE QAKDGTVYSI T 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 31 K HA 0.000 nan 4.320 nan 0.000 0.191 31 K C 0.000 176.582 176.600 -0.030 0.000 0.988 31 K CA 0.000 56.238 56.287 -0.082 0.000 0.838 31 K CB 0.000 32.410 32.500 -0.149 0.000 1.064 32 M N 2.749 122.355 119.600 0.010 0.000 2.251 32 M HA 0.107 4.594 4.480 0.013 0.000 0.343 32 M C -0.688 175.658 176.300 0.076 0.000 1.245 32 M CA 0.592 55.939 55.300 0.078 0.000 1.061 32 M CB 1.019 33.656 32.600 0.062 0.000 1.723 32 M HN 0.126 nan 8.290 nan 0.000 0.449 33 S N 6.517 122.275 115.700 0.097 0.000 2.562 33 S HA 0.291 4.769 4.470 0.013 0.000 0.281 33 S C -2.196 172.420 174.600 0.028 0.000 1.333 33 S CA -0.945 57.291 58.200 0.060 0.000 1.052 33 S CB 0.155 63.390 63.200 0.058 0.000 0.884 33 S HN 0.584 nan 8.310 nan 0.000 0.506 34 P HA 0.030 nan 4.420 nan 0.000 0.268 34 P C -0.304 176.967 177.300 -0.048 0.000 1.205 34 P CA -0.561 62.531 63.100 -0.013 0.000 0.771 34 P CB 0.321 32.016 31.700 -0.008 0.000 0.858 35 L N 5.974 127.140 121.223 -0.096 0.000 2.660 35 L HA 0.066 4.413 4.340 0.013 0.000 0.272 35 L C -1.709 175.067 176.870 -0.157 0.000 1.194 35 L CA -0.873 53.853 54.840 -0.189 0.000 0.945 35 L CB -0.882 40.986 42.059 -0.317 0.000 1.212 35 L HN 0.325 nan 8.230 nan 0.000 0.490 36 P HA 0.052 nan 4.420 nan 0.000 0.267 36 P C -0.810 176.398 177.300 -0.154 0.000 1.200 36 P CA -0.278 62.734 63.100 -0.146 0.000 0.772 36 P CB 0.169 31.715 31.700 -0.257 0.000 0.855 37 T N -0.301 114.209 114.554 -0.075 0.000 2.771 37 T HA 0.490 4.848 4.350 0.013 0.000 0.291 37 T C -0.041 174.635 174.700 -0.039 0.000 0.954 37 T CA -0.557 61.506 62.100 -0.061 0.000 1.045 37 T CB 0.317 69.165 68.868 -0.034 0.000 0.917 37 T HN 0.180 nan 8.240 nan 0.000 0.484 38 V N 3.059 122.940 119.914 -0.055 0.000 2.823 38 V HA 0.533 4.660 4.120 0.013 0.000 0.312 38 V C -0.805 175.265 176.094 -0.040 0.000 1.072 38 V CA -1.237 61.045 62.300 -0.031 0.000 0.937 38 V CB 2.102 33.891 31.823 -0.056 0.000 1.013 38 V HN 0.975 nan 8.190 nan 0.000 0.430 39 E N 1.889 122.067 120.200 -0.038 0.000 2.261 39 E HA 0.342 4.700 4.350 0.013 0.000 0.239 39 E C -0.620 175.924 176.600 -0.095 0.000 0.991 39 E CA -0.711 55.655 56.400 -0.056 0.000 0.847 39 E CB -0.537 29.136 29.700 -0.045 0.000 1.223 39 E HN 0.511 nan 8.360 nan 0.000 0.446 40 N N 2.955 121.585 118.700 -0.116 0.000 2.236 40 N HA -0.099 4.649 4.740 0.013 0.000 0.274 40 N C 0.641 176.011 175.510 -0.233 0.000 1.339 40 N CA 0.191 53.122 53.050 -0.198 0.000 0.845 40 N CB 0.451 38.841 38.487 -0.163 0.000 1.091 40 N HN 0.321 nan 8.380 nan 0.000 0.489 41 Q N 1.260 120.831 119.800 -0.381 0.000 2.297 41 Q HA 0.084 4.432 4.340 0.013 0.000 0.204 41 Q C -0.122 175.731 176.000 -0.245 0.000 0.962 41 Q CA 1.020 56.626 55.803 -0.329 0.000 0.879 41 Q CB -0.045 28.453 28.738 -0.402 0.000 0.947 41 Q HN 0.690 nan 8.270 nan 0.000 0.462 42 F N -4.502 115.366 119.950 -0.137 0.000 2.923 42 F HA 0.640 5.176 4.527 0.015 0.000 0.323 42 F C -0.722 174.959 175.800 -0.198 0.000 1.189 42 F CA -1.679 56.229 58.000 -0.154 0.000 0.930 42 F CB 0.790 39.693 39.000 -0.163 0.000 1.414 42 F HN -0.470 nan 8.300 nan 0.000 0.496 43 T N 2.717 117.413 114.554 0.238 0.000 2.833 43 T HA 0.633 4.991 4.350 0.013 0.000 0.297 43 T C -2.889 171.801 174.700 -0.017 0.000 1.015 43 T CA -1.085 61.050 62.100 0.059 0.000 0.963 43 T CB 1.156 70.031 68.868 0.012 0.000 0.955 43 T HN 0.461 nan 8.240 nan 0.000 0.449 44 P HA 0.605 nan 4.420 nan 0.000 0.296 44 P C -0.924 176.357 177.300 -0.032 0.000 1.301 44 P CA -0.499 62.514 63.100 -0.146 0.000 0.862 44 P CB 1.307 32.741 31.700 -0.443 0.000 1.046 45 T N -2.253 112.302 114.554 0.002 0.000 2.864 45 T HA 0.421 4.779 4.350 0.013 0.000 0.299 45 T C -0.415 174.316 174.700 0.052 0.000 1.166 45 T CA -0.723 61.398 62.100 0.034 0.000 1.007 45 T CB 0.536 69.418 68.868 0.024 0.000 1.219 45 T HN 0.160 nan 8.240 nan 0.000 0.506 46 T N 2.161 116.759 114.554 0.074 0.000 2.751 46 T HA 0.429 4.787 4.350 0.013 0.000 0.290 46 T C 1.696 176.426 174.700 0.051 0.000 0.919 46 T CA 0.020 62.173 62.100 0.088 0.000 1.136 46 T CB 0.514 69.498 68.868 0.192 0.000 0.875 46 T HN 0.848 nan 8.240 nan 0.000 0.532 47 A N 5.325 128.133 122.820 -0.021 0.000 1.883 47 A HA 0.081 4.409 4.320 0.013 0.000 0.217 47 A C 0.860 178.532 177.584 0.146 0.000 1.186 47 A CA 0.857 52.901 52.037 0.011 0.000 0.624 47 A CB -0.166 18.794 19.000 -0.067 0.000 0.822 47 A HN 0.949 nan 8.150 nan 0.000 0.444 48 W N -3.525 117.794 121.300 0.032 0.000 2.895 48 W HA 0.544 5.212 4.660 0.014 0.000 0.377 48 W C -1.163 175.311 176.519 -0.074 0.000 1.191 48 W CA -0.113 57.222 57.345 -0.016 0.000 1.179 48 W CB 0.411 29.846 29.460 -0.042 0.000 1.469 48 W HN 0.656 nan 8.180 nan 0.000 0.577 49 S N 0.521 116.505 115.700 0.472 0.000 2.563 49 S HA 0.589 5.066 4.470 0.013 0.000 0.279 49 S C -1.597 173.063 174.600 0.099 0.000 1.155 49 S CA -0.320 57.948 58.200 0.113 0.000 0.928 49 S CB 1.692 64.601 63.200 -0.486 0.000 1.107 49 S HN 0.544 nan 8.310 nan 0.000 0.462 50 T N 2.549 117.155 114.554 0.086 0.000 2.848 50 T HA 0.625 4.982 4.350 0.013 0.000 0.285 50 T C 0.095 174.775 174.700 -0.033 0.000 0.995 50 T CA -0.539 61.557 62.100 -0.006 0.000 0.970 50 T CB 1.583 70.424 68.868 -0.044 0.000 0.976 50 T HN 1.041 nan 8.240 nan 0.000 0.441 51 S N 2.286 117.961 115.700 -0.042 0.000 2.579 51 S HA 0.388 4.866 4.470 0.013 0.000 0.275 51 S C -0.233 174.361 174.600 -0.011 0.000 1.345 51 S CA -0.379 57.806 58.200 -0.024 0.000 1.031 51 S CB 0.191 63.380 63.200 -0.017 0.000 0.892 51 S HN 0.511 nan 8.310 nan 0.000 0.529 52 V N 4.480 124.398 119.914 0.007 0.000 2.439 52 V HA 0.559 4.686 4.120 0.013 0.000 0.277 52 V C 1.270 177.376 176.094 0.019 0.000 1.008 52 V CA -0.218 62.089 62.300 0.012 0.000 0.846 52 V CB 0.028 31.865 31.823 0.022 0.000 1.031 52 V HN 1.409 nan 8.190 nan 0.000 0.441 53 G N 4.896 113.704 108.800 0.014 0.000 2.672 53 G HA2 -0.348 3.620 3.960 0.013 0.000 0.356 53 G HA3 -0.348 3.620 3.960 0.013 0.000 0.356 53 G C 0.950 175.867 174.900 0.027 0.000 1.312 53 G CA 1.071 46.181 45.100 0.017 0.000 0.980 53 G HN 1.470 nan 8.290 nan 0.000 0.540 54 S N 0.457 116.179 115.700 0.037 0.000 2.593 54 S HA 0.509 4.986 4.470 0.013 0.000 0.236 54 S C 1.776 176.419 174.600 0.071 0.000 0.991 54 S CA 0.784 59.015 58.200 0.053 0.000 0.963 54 S CB 0.348 63.585 63.200 0.061 0.000 0.865 54 S HN 2.655 nan 8.310 nan 0.000 0.488 55 G N 3.764 112.602 108.800 0.062 0.000 2.565 55 G HA2 -0.377 3.591 3.960 0.013 0.000 0.295 55 G HA3 -0.377 3.591 3.960 0.013 0.000 0.295 55 G C 0.575 175.530 174.900 0.091 0.000 1.165 55 G CA 0.764 45.908 45.100 0.074 0.000 0.977 55 G HN 1.230 nan 8.290 nan 0.000 0.546 56 I N -1.347 119.300 120.570 0.128 0.000 4.557 56 I HA 0.568 4.746 4.170 0.013 0.000 0.333 56 I C 1.671 177.958 176.117 0.284 0.000 1.332 56 I CA 0.809 62.222 61.300 0.188 0.000 1.240 56 I CB 0.384 38.469 38.000 0.140 0.000 1.312 56 I HN 1.996 nan 8.210 nan 0.000 0.457 57 G N 3.261 112.170 108.800 0.182 0.000 2.684 57 G HA2 -0.432 3.535 3.960 0.013 0.000 0.332 57 G HA3 -0.432 3.535 3.960 0.013 0.000 0.332 57 G C 0.273 175.205 174.900 0.054 0.000 1.306 57 G CA 1.256 46.425 45.100 0.114 0.000 1.002 57 G HN 0.592 nan 8.290 nan 0.000 0.545 58 N N 0.234 118.870 118.700 -0.106 0.000 2.251 58 N HA 0.404 5.152 4.740 0.013 0.000 0.217 58 N C -0.077 175.314 175.510 -0.199 0.000 1.124 58 N CA -0.332 52.624 53.050 -0.158 0.000 0.843 58 N CB 0.142 38.507 38.487 -0.203 0.000 1.024 58 N HN 0.276 nan 8.380 nan 0.000 0.501 59 F N 0.329 120.321 119.950 0.071 0.000 2.382 59 F HA 0.165 4.700 4.527 0.013 0.000 0.331 59 F C 0.552 176.426 175.800 0.124 0.000 1.121 59 F CA -0.873 57.182 58.000 0.091 0.000 1.183 59 F CB 0.248 39.287 39.000 0.065 0.000 1.207 59 F HN 0.069 nan 8.300 nan 0.000 0.555 60 Y N 2.050 122.495 120.300 0.241 0.000 2.496 60 Y HA 0.373 4.931 4.550 0.014 0.000 0.334 60 Y C -0.002 175.988 175.900 0.151 0.000 1.080 60 Y CA 0.114 58.308 58.100 0.156 0.000 1.355 60 Y CB 0.133 38.664 38.460 0.118 0.000 1.193 60 Y HN 0.502 nan 8.280 nan 0.000 0.523 61 S N 4.089 119.499 115.700 -0.483 0.000 2.579 61 S HA 0.406 4.883 4.470 0.013 0.000 0.272 61 S C -0.444 173.918 174.600 -0.395 0.000 1.141 61 S CA -0.870 57.089 58.200 -0.402 0.000 0.843 61 S CB 1.041 64.182 63.200 -0.099 0.000 1.122 61 S HN 0.767 nan 8.310 nan 0.000 0.468 62 N N 1.484 120.048 118.700 -0.226 0.000 2.200 62 N HA 0.282 5.029 4.740 0.013 0.000 0.224 62 N C -0.563 175.021 175.510 0.123 0.000 1.179 62 N CA -0.018 53.000 53.050 -0.053 0.000 0.877 62 N CB 0.245 38.712 38.487 -0.034 0.000 1.072 62 N HN 0.487 nan 8.380 nan 0.000 0.519 63 L N 2.665 123.921 121.223 0.056 0.000 2.455 63 L HA 0.089 4.436 4.340 0.013 0.000 0.272 63 L C 0.518 177.456 176.870 0.113 0.000 1.174 63 L CA 0.405 55.269 54.840 0.041 0.000 0.869 63 L CB 0.197 42.255 42.059 -0.000 0.000 1.130 63 L HN 0.286 nan 8.230 nan 0.000 0.474 64 H N 1.920 121.006 119.070 0.025 0.000 2.990 64 H HA 0.555 5.119 4.556 0.013 0.000 0.336 64 H C -3.024 172.329 175.328 0.042 0.000 1.306 64 H CA -2.749 53.316 56.048 0.028 0.000 1.118 64 H CB 1.253 31.022 29.762 0.011 0.000 1.856 64 H HN 0.188 nan 8.280 nan 0.000 0.538 65 P HA 0.425 nan 4.420 nan 0.000 0.277 65 P C -0.839 176.489 177.300 0.046 0.000 1.240 65 P CA -0.167 62.948 63.100 0.025 0.000 0.798 65 P CB 0.946 32.685 31.700 0.065 0.000 0.979 66 A N 2.280 125.144 122.820 0.073 0.000 2.354 66 A HA 0.806 5.134 4.320 0.013 0.000 0.321 66 A C -1.465 176.234 177.584 0.192 0.000 1.125 66 A CA -0.649 51.460 52.037 0.120 0.000 0.799 66 A CB 0.844 19.891 19.000 0.079 0.000 1.293 66 A HN 0.550 nan 8.150 nan 0.000 0.452 67 L N 0.852 122.175 121.223 0.167 0.000 2.439 67 L HA 0.822 5.170 4.340 0.013 0.000 0.270 67 L C -0.471 176.496 176.870 0.161 0.000 0.972 67 L CA 0.162 55.102 54.840 0.167 0.000 0.836 67 L CB 1.694 43.818 42.059 0.108 0.000 1.255 67 L HN 1.233 nan 8.230 nan 0.000 0.404 68 A N 3.053 125.999 122.820 0.210 0.000 2.459 68 A HA 0.640 4.968 4.320 0.013 0.000 0.296 68 A C -0.850 176.823 177.584 0.149 0.000 1.039 68 A CA -0.400 51.732 52.037 0.158 0.000 0.698 68 A CB 0.897 19.972 19.000 0.126 0.000 1.261 68 A HN 0.786 nan 8.150 nan 0.000 0.405 69 D N 1.218 121.673 120.400 0.093 0.000 2.689 69 D HA -0.213 4.434 4.640 0.013 0.000 0.237 69 D C 0.443 176.770 176.300 0.044 0.000 1.148 69 D CA 1.998 56.038 54.000 0.066 0.000 0.656 69 D CB -1.196 39.644 40.800 0.067 0.000 1.050 69 D HN 1.034 nan 8.370 nan 0.000 0.426 70 N N -2.145 116.580 118.700 0.043 0.000 2.741 70 N HA -0.229 4.518 4.740 0.013 0.000 0.251 70 N C -1.001 174.487 175.510 -0.036 0.000 1.112 70 N CA 1.284 54.345 53.050 0.018 0.000 0.750 70 N CB -0.405 38.089 38.487 0.012 0.000 1.119 70 N HN 0.297 nan 8.380 nan 0.000 0.561 71 V N 0.057 119.939 119.914 -0.053 0.000 2.555 71 V HA 0.592 4.720 4.120 0.013 0.000 0.302 71 V C 0.367 176.289 176.094 -0.287 0.000 1.038 71 V CA -0.912 61.235 62.300 -0.255 0.000 0.887 71 V CB 2.050 33.631 31.823 -0.402 0.000 0.991 71 V HN -0.060 nan 8.190 nan 0.000 0.434 72 V N 4.876 124.554 119.914 -0.393 0.000 2.370 72 V HA 0.459 4.586 4.120 0.013 0.000 0.283 72 V C -0.867 174.950 176.094 -0.462 0.000 1.023 72 V CA -0.578 61.594 62.300 -0.214 0.000 0.857 72 V CB 1.050 32.885 31.823 0.019 0.000 0.985 72 V HN 0.749 nan 8.190 nan 0.000 0.443 73 Y N 2.881 123.126 120.300 -0.091 0.000 2.361 73 Y HA 0.808 5.360 4.550 0.003 0.000 0.332 73 Y C 0.425 176.281 175.900 -0.073 0.000 1.101 73 Y CA -0.529 57.495 58.100 -0.125 0.000 1.137 73 Y CB 1.913 40.310 38.460 -0.106 0.000 1.207 73 Y HN 0.737 nan 8.280 nan 0.000 0.463 74 A N 1.184 124.043 122.820 0.065 0.000 2.604 74 A HA 0.945 5.272 4.320 0.013 0.000 0.295 74 A C -1.574 176.029 177.584 0.033 0.000 1.067 74 A CA -0.247 51.811 52.037 0.034 0.000 0.683 74 A CB 1.226 20.243 19.000 0.029 0.000 1.281 74 A HN 1.011 nan 8.150 nan 0.000 0.407 75 A N 0.601 123.432 122.820 0.018 0.000 2.564 75 A HA 0.936 5.263 4.320 0.013 0.000 0.288 75 A C -1.548 176.042 177.584 0.010 0.000 1.164 75 A CA 0.073 52.117 52.037 0.012 0.000 0.712 75 A CB 1.421 20.419 19.000 -0.003 0.000 1.303 75 A HN 1.420 nan 8.150 nan 0.000 0.418 76 D N -1.288 119.112 120.400 0.001 0.000 2.566 76 D HA 0.412 5.059 4.640 0.013 0.000 0.254 76 D C 0.772 177.063 176.300 -0.015 0.000 1.090 76 D CA -0.733 53.270 54.000 0.006 0.000 1.034 76 D CB 0.981 41.791 40.800 0.017 0.000 1.434 76 D HN 0.520 nan 8.370 nan 0.000 0.509 77 R N 0.131 120.623 120.500 -0.014 0.000 2.112 77 R HA -0.215 4.133 4.340 0.013 0.000 0.242 77 R C 1.853 178.107 176.300 -0.076 0.000 1.137 77 R CA 2.279 58.345 56.100 -0.057 0.000 0.944 77 R CB -0.753 29.488 30.300 -0.098 0.000 0.857 77 R HN 0.552 nan 8.270 nan 0.000 0.435 78 A N -1.154 121.627 122.820 -0.064 0.000 2.019 78 A HA 0.057 4.385 4.320 0.013 0.000 0.219 78 A C 1.619 179.165 177.584 -0.064 0.000 1.164 78 A CA 1.576 53.575 52.037 -0.064 0.000 0.644 78 A CB -0.250 18.726 19.000 -0.040 0.000 0.805 78 A HN 0.715 nan 8.150 nan 0.000 0.449 79 G N -2.752 106.008 108.800 -0.067 0.000 2.370 79 G HA2 -0.008 3.960 3.960 0.013 0.000 0.174 79 G HA3 -0.008 3.960 3.960 0.013 0.000 0.174 79 G C -0.072 174.769 174.900 -0.098 0.000 1.002 79 G CA -0.050 44.985 45.100 -0.107 0.000 0.730 79 G HN 0.683 nan 8.290 nan 0.000 0.497 80 L N 2.179 123.372 121.223 -0.050 0.000 2.410 80 L HA 0.665 5.013 4.340 0.013 0.000 0.273 80 L C 0.056 176.929 176.870 0.004 0.000 1.152 80 L CA -0.222 54.606 54.840 -0.021 0.000 0.855 80 L CB 1.384 43.441 42.059 -0.003 0.000 1.129 80 L HN 0.170 nan 8.230 nan 0.000 0.463 81 V N 4.798 124.743 119.914 0.052 0.000 2.760 81 V HA 0.557 4.684 4.120 0.013 0.000 0.309 81 V C -0.608 175.632 176.094 0.243 0.000 1.077 81 V CA -1.013 61.367 62.300 0.135 0.000 0.910 81 V CB 1.906 33.838 31.823 0.182 0.000 1.008 81 V HN 0.710 nan 8.190 nan 0.000 0.424 82 K N 2.581 123.048 120.400 0.113 0.000 2.397 82 K HA 0.833 5.160 4.320 0.013 0.000 0.253 82 K C -0.481 175.838 176.600 -0.468 0.000 0.932 82 K CA -0.569 55.681 56.287 -0.062 0.000 0.795 82 K CB 2.769 35.213 32.500 -0.093 0.000 1.159 82 K HN 0.839 nan 8.250 nan 0.000 0.424 83 A N 3.890 126.004 122.820 -1.178 0.000 2.354 83 A HA 0.548 4.875 4.320 0.013 0.000 0.269 83 A C -0.445 176.632 177.584 -0.845 0.000 1.109 83 A CA -0.375 50.817 52.037 -1.408 0.000 0.800 83 A CB 0.173 17.961 19.000 -2.021 0.000 1.045 83 A HN 0.664 nan 8.150 nan 0.000 0.489 84 L N 1.940 122.723 121.223 -0.734 0.000 2.370 84 L HA 0.384 4.732 4.340 0.013 0.000 0.266 84 L C 0.283 176.871 176.870 -0.470 0.000 1.002 84 L CA -0.961 53.567 54.840 -0.520 0.000 0.818 84 L CB 1.810 43.617 42.059 -0.419 0.000 1.325 84 L HN 0.836 nan 8.230 nan 0.000 0.418 85 N N 1.290 119.733 118.700 -0.429 0.000 2.452 85 N HA 0.080 4.828 4.740 0.013 0.000 0.266 85 N C 0.695 176.019 175.510 -0.310 0.000 1.175 85 N CA 0.405 53.257 53.050 -0.330 0.000 0.945 85 N CB 1.961 40.268 38.487 -0.301 0.000 1.063 85 N HN 0.828 nan 8.380 nan 0.000 0.472 86 A N 4.329 127.084 122.820 -0.109 0.000 1.948 86 A HA -0.198 4.130 4.320 0.013 0.000 0.220 86 A C 1.602 179.362 177.584 0.293 0.000 1.177 86 A CA 1.559 53.676 52.037 0.132 0.000 0.636 86 A CB -0.195 18.867 19.000 0.104 0.000 0.815 86 A HN 0.810 nan 8.150 nan 0.000 0.449 87 D N -0.373 120.074 120.400 0.079 0.000 2.149 87 D HA -0.093 4.555 4.640 0.013 0.000 0.201 87 D C 0.718 177.029 176.300 0.018 0.000 0.972 87 D CA 1.674 55.743 54.000 0.114 0.000 0.835 87 D CB -0.170 40.647 40.800 0.028 0.000 0.966 87 D HN 0.771 nan 8.370 nan 0.000 0.476 88 D N -2.282 117.865 120.400 -0.421 0.000 2.510 88 D HA 0.163 4.811 4.640 0.013 0.000 0.234 88 D C 1.145 176.610 176.300 -1.391 0.000 1.178 88 D CA 0.268 53.872 54.000 -0.659 0.000 0.816 88 D CB -0.138 40.471 40.800 -0.317 0.000 1.143 88 D HN 0.035 nan 8.370 nan 0.000 0.526 89 G N 1.099 108.765 108.800 -1.889 0.000 2.338 89 G HA2 -0.334 3.633 3.960 0.013 0.000 0.296 89 G HA3 -0.334 3.633 3.960 0.013 0.000 0.296 89 G C -0.136 174.253 174.900 -0.852 0.000 1.040 89 G CA 0.319 44.288 45.100 -1.884 0.000 1.004 89 G HN 0.396 nan 8.290 nan 0.000 0.509 90 K N 0.040 120.093 120.400 -0.579 0.000 2.110 90 K HA 0.316 4.643 4.320 0.013 0.000 0.263 90 K C 0.612 177.020 176.600 -0.320 0.000 0.975 90 K CA -0.683 55.391 56.287 -0.354 0.000 0.895 90 K CB 1.199 33.538 32.500 -0.269 0.000 1.060 90 K HN 0.415 nan 8.250 nan 0.000 0.448 91 E N 2.162 122.221 120.200 -0.235 0.000 2.417 91 E HA -0.062 4.295 4.350 0.013 0.000 0.261 91 E C 0.477 176.957 176.600 -0.200 0.000 1.000 91 E CA -0.021 56.252 56.400 -0.211 0.000 0.919 91 E CB 0.472 30.100 29.700 -0.120 0.000 0.955 91 E HN 0.351 nan 8.360 nan 0.000 0.455 92 I N 3.322 123.724 120.570 -0.279 0.000 2.628 92 I HA 0.026 4.204 4.170 0.013 0.000 0.255 92 I C 0.715 176.805 176.117 -0.046 0.000 1.119 92 I CA 0.643 61.810 61.300 -0.221 0.000 1.448 92 I CB -0.096 37.693 38.000 -0.352 0.000 1.133 92 I HN 0.563 nan 8.210 nan 0.000 0.438 93 W N -2.068 119.177 121.300 -0.092 0.000 2.961 93 W HA 0.687 5.349 4.660 0.002 0.000 0.368 93 W C -0.999 175.482 176.519 -0.064 0.000 1.213 93 W CA -1.096 56.210 57.345 -0.064 0.000 1.173 93 W CB 1.335 30.770 29.460 -0.042 0.000 1.487 93 W HN -0.276 nan 8.180 nan 0.000 0.585 94 S N 1.711 117.718 115.700 0.510 0.000 2.550 94 S HA 0.441 4.918 4.470 0.013 0.000 0.274 94 S C -1.367 173.322 174.600 0.148 0.000 1.110 94 S CA -0.370 58.007 58.200 0.294 0.000 1.013 94 S CB 0.493 63.767 63.200 0.124 0.000 1.152 94 S HN 1.201 nan 8.310 nan 0.000 0.450 95 V N 1.924 121.905 119.914 0.111 0.000 3.040 95 V HA 0.988 5.116 4.120 0.013 0.000 0.312 95 V C -0.345 175.725 176.094 -0.040 0.000 1.115 95 V CA -0.590 61.692 62.300 -0.030 0.000 0.998 95 V CB 1.852 33.575 31.823 -0.167 0.000 1.042 95 V HN 0.740 nan 8.190 nan 0.000 0.433 96 S N 1.561 117.218 115.700 -0.071 0.000 2.503 96 S HA 0.705 5.183 4.470 0.013 0.000 0.301 96 S C 0.082 174.604 174.600 -0.130 0.000 1.087 96 S CA -0.767 57.383 58.200 -0.083 0.000 1.042 96 S CB 1.445 64.612 63.200 -0.054 0.000 1.043 96 S HN 0.812 nan 8.310 nan 0.000 0.489 97 L N 3.065 124.181 121.223 -0.178 0.000 2.693 97 L HA 0.428 4.776 4.340 0.013 0.000 0.235 97 L C 1.159 177.945 176.870 -0.139 0.000 1.127 97 L CA -0.282 54.412 54.840 -0.243 0.000 0.914 97 L CB -0.200 41.536 42.059 -0.539 0.000 1.193 97 L HN 0.725 nan 8.230 nan 0.000 0.502 98 A N 0.806 123.570 122.820 -0.093 0.000 2.561 98 A HA 0.110 4.438 4.320 0.013 0.000 0.234 98 A C 0.281 177.846 177.584 -0.031 0.000 1.055 98 A CA 0.217 52.223 52.037 -0.051 0.000 0.756 98 A CB 0.113 19.089 19.000 -0.040 0.000 0.986 98 A HN 0.295 nan 8.150 nan 0.000 0.505 99 E N 0.321 120.511 120.200 -0.016 0.000 2.292 99 E HA 0.393 4.750 4.350 0.013 0.000 0.258 99 E C -0.100 176.487 176.600 -0.023 0.000 1.115 99 E CA -0.552 55.841 56.400 -0.011 0.000 0.929 99 E CB 0.657 30.358 29.700 0.001 0.000 1.161 99 E HN 0.664 nan 8.360 nan 0.000 0.453 100 K N 1.098 121.479 120.400 -0.032 0.000 2.350 100 K HA 0.119 4.447 4.320 0.013 0.000 0.279 100 K C -0.239 176.326 176.600 -0.058 0.000 1.027 100 K CA -0.380 55.877 56.287 -0.050 0.000 0.969 100 K CB 0.714 33.173 32.500 -0.068 0.000 0.954 100 K HN 0.482 nan 8.250 nan 0.000 0.474 101 D N 2.492 122.852 120.400 -0.068 0.000 3.222 101 D HA 0.211 4.859 4.640 0.013 0.000 0.190 101 D C 0.545 176.773 176.300 -0.119 0.000 1.235 101 D CA -0.122 53.839 54.000 -0.065 0.000 1.213 101 D CB -0.263 40.522 40.800 -0.025 0.000 1.103 101 D HN 0.488 nan 8.370 nan 0.000 0.468 102 G N -0.768 107.971 108.800 -0.102 0.000 2.735 102 G HA2 0.146 4.114 3.960 0.013 0.000 0.192 102 G HA3 0.146 4.114 3.960 0.013 0.000 0.192 102 G C 0.603 175.339 174.900 -0.273 0.000 1.547 102 G CA -0.103 44.891 45.100 -0.176 0.000 1.080 102 G HN 0.532 nan 8.290 nan 0.000 0.569 103 W N -1.119 119.972 121.300 -0.348 0.000 2.409 103 W HA 0.152 4.819 4.660 0.012 0.000 0.299 103 W C 2.181 178.274 176.519 -0.710 0.000 1.203 103 W CA 0.647 57.544 57.345 -0.746 0.000 1.298 103 W CB -0.076 28.570 29.460 -1.356 0.000 1.127 103 W HN 0.296 nan 8.180 nan 0.000 0.528 104 F N -2.192 117.897 119.950 0.232 0.000 2.699 104 F HA 0.237 4.771 4.527 0.012 0.000 0.295 104 F C 1.219 177.067 175.800 0.079 0.000 1.052 104 F CA -0.338 57.748 58.000 0.143 0.000 1.239 104 F CB -0.859 38.217 39.000 0.126 0.000 1.018 104 F HN -0.483 nan 8.300 nan 0.000 0.627 105 S N 0.676 116.500 115.700 0.207 0.000 2.669 105 S HA 0.425 4.903 4.470 0.013 0.000 0.270 105 S C -0.113 174.526 174.600 0.064 0.000 1.225 105 S CA -0.693 57.579 58.200 0.121 0.000 0.991 105 S CB 1.341 64.598 63.200 0.096 0.000 0.987 105 S HN 0.008 nan 8.310 nan 0.000 0.552 106 K N 1.274 121.699 120.400 0.041 0.000 2.123 106 K HA 0.271 4.598 4.320 0.013 0.000 0.248 106 K C -0.136 176.465 176.600 0.002 0.000 0.969 106 K CA -0.618 55.676 56.287 0.011 0.000 0.882 106 K CB 0.804 33.306 32.500 0.003 0.000 1.080 106 K HN 0.718 nan 8.250 nan 0.000 0.441 107 E N 2.075 122.268 120.200 -0.011 0.000 2.227 107 E HA 0.262 4.620 4.350 0.013 0.000 0.282 107 E C -2.475 174.109 176.600 -0.026 0.000 1.015 107 E CA -2.348 54.042 56.400 -0.017 0.000 0.823 107 E CB 0.660 30.349 29.700 -0.017 0.000 1.081 107 E HN 0.121 nan 8.360 nan 0.000 0.396 108 P HA -0.064 nan 4.420 nan 0.000 0.264 108 P C 0.084 177.356 177.300 -0.046 0.000 1.183 108 P CA 0.251 63.314 63.100 -0.061 0.000 0.763 108 P CB 1.002 32.636 31.700 -0.109 0.000 0.807 109 A N 4.419 127.215 122.820 -0.040 0.000 2.066 109 A HA -0.028 4.299 4.320 0.013 0.000 0.218 109 A C 1.010 178.601 177.584 0.012 0.000 1.157 109 A CA 0.424 52.460 52.037 -0.001 0.000 0.670 109 A CB -0.927 18.049 19.000 -0.040 0.000 0.804 109 A HN 0.672 nan 8.150 nan 0.000 0.453 110 L N -1.313 119.887 121.223 -0.040 0.000 3.533 110 L HA -0.166 4.182 4.340 0.013 0.000 0.477 110 L C -0.703 176.164 176.870 -0.006 0.000 1.306 110 L CA -0.431 54.378 54.840 -0.051 0.000 0.850 110 L CB -2.050 39.983 42.059 -0.045 0.000 1.654 110 L HN 0.357 nan 8.230 nan 0.000 0.863 111 L N -0.132 121.087 121.223 -0.007 0.000 2.416 111 L HA 0.178 4.526 4.340 0.013 0.000 0.272 111 L C 1.415 178.283 176.870 -0.003 0.000 1.161 111 L CA 0.845 55.697 54.840 0.020 0.000 0.845 111 L CB 1.194 43.252 42.059 -0.002 0.000 1.119 111 L HN 0.484 nan 8.230 nan 0.000 0.464 112 S N -0.251 115.454 115.700 0.008 0.000 2.918 112 S HA 0.199 4.677 4.470 0.013 0.000 0.264 112 S C 0.609 175.202 174.600 -0.012 0.000 1.078 112 S CA 0.181 58.366 58.200 -0.025 0.000 0.918 112 S CB 0.507 63.691 63.200 -0.027 0.000 0.882 112 S HN 0.641 nan 8.310 nan 0.000 0.466 113 G N 0.339 109.152 108.800 0.022 0.000 2.533 113 G HA2 0.670 4.637 3.960 0.013 0.000 0.310 113 G HA3 0.670 4.637 3.960 0.013 0.000 0.310 113 G C -0.036 174.888 174.900 0.040 0.000 1.266 113 G CA -0.239 44.887 45.100 0.043 0.000 0.967 113 G HN 1.007 nan 8.290 nan 0.000 0.493 114 G N -0.530 108.279 108.800 0.015 0.000 2.362 114 G HA2 0.499 4.467 3.960 0.013 0.000 0.288 114 G HA3 0.499 4.467 3.960 0.013 0.000 0.288 114 G C -0.852 173.798 174.900 -0.416 0.000 1.305 114 G CA 0.146 45.195 45.100 -0.086 0.000 0.910 114 G HN 1.776 nan 8.290 nan 0.000 0.518 115 V N -1.615 118.036 119.914 -0.438 0.000 2.834 115 V HA 0.962 5.090 4.120 0.013 0.000 0.313 115 V C -0.109 175.930 176.094 -0.090 0.000 1.060 115 V CA 0.144 62.352 62.300 -0.152 0.000 0.989 115 V CB 1.763 33.547 31.823 -0.065 0.000 1.041 115 V HN 1.219 nan 8.190 nan 0.000 0.459 116 T N 3.682 118.248 114.554 0.020 0.000 2.848 116 T HA 0.570 4.928 4.350 0.013 0.000 0.285 116 T C -0.975 173.788 174.700 0.104 0.000 0.995 116 T CA -0.270 61.880 62.100 0.083 0.000 0.970 116 T CB 1.377 70.320 68.868 0.125 0.000 0.976 116 T HN 1.081 nan 8.240 nan 0.000 0.441 117 V N 3.130 123.065 119.914 0.035 0.000 2.531 117 V HA 0.888 5.015 4.120 0.013 0.000 0.301 117 V C -0.938 175.188 176.094 0.054 0.000 1.034 117 V CA -0.235 62.038 62.300 -0.045 0.000 0.865 117 V CB 1.768 33.383 31.823 -0.347 0.000 0.995 117 V HN 0.889 nan 8.190 nan 0.000 0.424 118 S N 4.730 120.509 115.700 0.131 0.000 2.603 118 S HA 0.632 5.110 4.470 0.013 0.000 0.274 118 S C 0.174 174.830 174.600 0.094 0.000 1.168 118 S CA 0.396 58.668 58.200 0.120 0.000 0.963 118 S CB 1.099 64.388 63.200 0.148 0.000 1.078 118 S HN 2.627 nan 8.310 nan 0.000 0.477 119 G N 2.866 111.678 108.800 0.020 0.000 2.350 119 G HA2 0.129 4.097 3.960 0.013 0.000 0.298 119 G HA3 0.129 4.097 3.960 0.013 0.000 0.298 119 G C 1.351 176.166 174.900 -0.141 0.000 1.037 119 G CA 0.841 45.920 45.100 -0.035 0.000 1.074 119 G HN 2.376 nan 8.290 nan 0.000 0.511 120 G N -1.471 107.262 108.800 -0.111 0.000 2.168 120 G HA2 -0.289 3.679 3.960 0.013 0.000 0.263 120 G HA3 -0.289 3.679 3.960 0.013 0.000 0.263 120 G C 0.198 174.984 174.900 -0.189 0.000 0.977 120 G CA 1.148 46.168 45.100 -0.133 0.000 0.659 120 G HN 1.399 nan 8.290 nan 0.000 0.533 121 H N -1.123 117.823 119.070 -0.207 0.000 2.469 121 H HA 0.534 5.100 4.556 0.017 0.000 0.342 121 H C -0.293 174.643 175.328 -0.653 0.000 1.115 121 H CA -1.171 54.573 56.048 -0.507 0.000 1.204 121 H CB 2.186 31.484 29.762 -0.772 0.000 1.492 121 H HN 0.110 nan 8.280 nan 0.000 0.499 122 V N 4.374 123.988 119.914 -0.500 0.000 2.407 122 V HA 0.126 4.254 4.120 0.013 0.000 0.278 122 V C -0.677 175.063 176.094 -0.590 0.000 1.037 122 V CA -0.487 61.531 62.300 -0.470 0.000 0.900 122 V CB 0.050 31.720 31.823 -0.256 0.000 0.983 122 V HN 0.633 nan 8.190 nan 0.000 0.459 123 Y N 5.053 125.275 120.300 -0.129 0.000 2.377 123 Y HA 0.768 5.327 4.550 0.014 0.000 0.339 123 Y C 0.090 175.954 175.900 -0.059 0.000 1.011 123 Y CA -0.725 57.304 58.100 -0.118 0.000 1.093 123 Y CB 1.711 40.120 38.460 -0.085 0.000 1.201 123 Y HN 0.442 nan 8.280 nan 0.000 0.455 124 I N 1.864 122.518 120.570 0.139 0.000 2.692 124 I HA 0.563 4.740 4.170 0.013 0.000 0.293 124 I C -0.029 176.196 176.117 0.180 0.000 1.200 124 I CA -0.845 60.534 61.300 0.133 0.000 1.036 124 I CB 2.459 40.522 38.000 0.105 0.000 1.258 124 I HN 0.751 nan 8.210 nan 0.000 0.421 125 G N 2.507 111.380 108.800 0.122 0.000 2.434 125 G HA2 0.740 4.707 3.960 0.013 0.000 0.330 125 G HA3 0.740 4.707 3.960 0.013 0.000 0.330 125 G C -0.729 174.232 174.900 0.101 0.000 1.155 125 G CA -0.378 44.777 45.100 0.092 0.000 0.917 125 G HN 0.677 nan 8.290 nan 0.000 0.493 126 S N -0.595 115.152 115.700 0.077 0.000 2.667 126 S HA 0.409 4.886 4.470 0.013 0.000 0.292 126 S C 0.266 174.890 174.600 0.040 0.000 1.126 126 S CA -0.724 57.524 58.200 0.080 0.000 0.881 126 S CB 2.245 65.534 63.200 0.148 0.000 1.132 126 S HN 0.532 nan 8.310 nan 0.000 0.492 127 E N 0.085 120.305 120.200 0.033 0.000 2.516 127 E HA 0.063 4.421 4.350 0.013 0.000 0.199 127 E C 0.532 177.144 176.600 0.019 0.000 1.069 127 E CA 0.369 56.785 56.400 0.027 0.000 0.876 127 E CB -0.091 29.625 29.700 0.028 0.000 0.843 127 E HN 0.500 nan 8.360 nan 0.000 0.530 128 K N -0.305 120.106 120.400 0.019 0.000 2.399 128 K HA 0.296 4.623 4.320 0.013 0.000 0.204 128 K C 0.343 176.937 176.600 -0.010 0.000 1.023 128 K CA 0.387 56.678 56.287 0.008 0.000 1.127 128 K CB 1.051 33.561 32.500 0.017 0.000 0.856 128 K HN 0.058 nan 8.250 nan 0.000 0.514 129 A N 1.152 123.964 122.820 -0.012 0.000 2.969 129 A HA -0.164 4.164 4.320 0.013 0.000 0.252 129 A C -0.209 177.336 177.584 -0.065 0.000 1.377 129 A CA 0.767 52.787 52.037 -0.028 0.000 0.859 129 A CB -1.388 17.600 19.000 -0.021 0.000 1.077 129 A HN 0.287 nan 8.150 nan 0.000 0.671 130 Q N -0.445 119.291 119.800 -0.107 0.000 2.245 130 Q HA 0.621 4.969 4.340 0.013 0.000 0.256 130 Q C -0.188 175.656 176.000 -0.259 0.000 0.942 130 Q CA -0.398 55.252 55.803 -0.255 0.000 0.896 130 Q CB 1.973 30.437 28.738 -0.456 0.000 1.272 130 Q HN 0.569 nan 8.270 nan 0.000 0.442 131 V N 3.049 122.819 119.914 -0.240 0.000 2.459 131 V HA 0.361 4.488 4.120 0.013 0.000 0.295 131 V C -0.983 174.950 176.094 -0.269 0.000 1.029 131 V CA -0.753 61.467 62.300 -0.133 0.000 0.874 131 V CB 0.818 32.693 31.823 0.088 0.000 0.985 131 V HN 0.582 nan 8.190 nan 0.000 0.438 132 Y N 2.260 122.519 120.300 -0.068 0.000 2.342 132 Y HA 0.708 5.266 4.550 0.012 0.000 0.334 132 Y C 0.475 176.072 175.900 -0.504 0.000 1.067 132 Y CA -0.679 57.285 58.100 -0.227 0.000 1.128 132 Y CB 1.778 40.134 38.460 -0.173 0.000 1.200 132 Y HN 0.675 nan 8.280 nan 0.000 0.464 133 A N 5.141 127.490 122.820 -0.786 0.000 2.267 133 A HA 0.699 5.026 4.320 0.013 0.000 0.315 133 A C -1.040 176.089 177.584 -0.760 0.000 1.297 133 A CA -0.658 50.681 52.037 -1.164 0.000 0.865 133 A CB -0.049 17.615 19.000 -2.227 0.000 1.165 133 A HN 0.787 nan 8.150 nan 0.000 0.513 134 L N 2.775 123.679 121.223 -0.531 0.000 2.325 134 L HA 0.364 4.712 4.340 0.013 0.000 0.279 134 L C 0.070 176.787 176.870 -0.254 0.000 1.054 134 L CA -0.954 53.669 54.840 -0.362 0.000 0.804 134 L CB 1.022 42.917 42.059 -0.274 0.000 1.200 134 L HN 0.623 nan 8.230 nan 0.000 0.436 135 N N 0.784 119.380 118.700 -0.174 0.000 2.518 135 N HA 0.048 4.795 4.740 0.013 0.000 0.266 135 N C 1.042 176.600 175.510 0.079 0.000 1.196 135 N CA 0.091 53.133 53.050 -0.013 0.000 0.947 135 N CB 1.630 40.103 38.487 -0.023 0.000 1.098 135 N HN 0.698 nan 8.380 nan 0.000 0.450 136 T N -1.525 113.134 114.554 0.175 0.000 2.867 136 T HA -0.173 4.185 4.350 0.013 0.000 0.268 136 T C 2.016 177.074 174.700 0.596 0.000 1.057 136 T CA 1.388 63.736 62.100 0.414 0.000 1.136 136 T CB -0.260 68.738 68.868 0.216 0.000 0.874 136 T HN 0.541 nan 8.240 nan 0.000 0.466 137 S N 3.524 119.409 115.700 0.309 0.000 2.354 137 S HA -0.198 4.280 4.470 0.013 0.000 0.219 137 S C 1.702 176.477 174.600 0.291 0.000 1.035 137 S CA 1.589 59.938 58.200 0.248 0.000 1.037 137 S CB -0.784 62.478 63.200 0.103 0.000 0.956 137 S HN 0.793 nan 8.310 nan 0.000 0.428 138 D N -0.711 119.680 120.400 -0.015 0.000 2.423 138 D HA 0.349 4.996 4.640 0.013 0.000 0.208 138 D C 1.275 176.861 176.300 -1.190 0.000 1.068 138 D CA 0.457 54.274 54.000 -0.306 0.000 0.860 138 D CB -0.520 40.160 40.800 -0.199 0.000 0.992 138 D HN 0.749 nan 8.370 nan 0.000 0.504 139 G N 0.712 108.617 108.800 -1.491 0.000 2.182 139 G HA2 -0.225 3.742 3.960 0.013 0.000 0.248 139 G HA3 -0.225 3.742 3.960 0.013 0.000 0.248 139 G C 0.301 174.676 174.900 -0.875 0.000 1.042 139 G CA 0.444 44.390 45.100 -1.923 0.000 0.775 139 G HN 0.742 nan 8.290 nan 0.000 0.501 140 T N -2.435 111.800 114.554 -0.531 0.000 2.922 140 T HA 0.621 4.978 4.350 0.013 0.000 0.285 140 T C 0.556 175.096 174.700 -0.266 0.000 1.005 140 T CA -0.455 61.450 62.100 -0.325 0.000 1.061 140 T CB 2.451 71.191 68.868 -0.214 0.000 1.007 140 T HN 0.826 nan 8.240 nan 0.000 0.502 141 V N 3.042 122.836 119.914 -0.200 0.000 2.420 141 V HA 0.232 4.360 4.120 0.013 0.000 0.274 141 V C 1.643 177.651 176.094 -0.143 0.000 1.003 141 V CA 0.447 62.649 62.300 -0.162 0.000 1.092 141 V CB -0.933 30.848 31.823 -0.070 0.000 1.002 141 V HN 1.187 nan 8.190 nan 0.000 0.473 142 A N 6.914 129.590 122.820 -0.239 0.000 1.872 142 A HA 0.096 4.423 4.320 0.013 0.000 0.214 142 A C 0.823 178.400 177.584 -0.013 0.000 1.187 142 A CA 1.217 53.147 52.037 -0.177 0.000 0.614 142 A CB 0.154 18.931 19.000 -0.371 0.000 0.826 142 A HN 0.942 nan 8.150 nan 0.000 0.442 143 W N -3.230 117.986 121.300 -0.140 0.000 2.937 143 W HA 0.638 5.306 4.660 0.014 0.000 0.360 143 W C -1.371 175.108 176.519 -0.066 0.000 1.215 143 W CA -0.537 56.754 57.345 -0.090 0.000 1.183 143 W CB 0.698 30.105 29.460 -0.088 0.000 1.458 143 W HN 0.165 nan 8.180 nan 0.000 0.574 144 Q N 1.418 121.436 119.800 0.363 0.000 2.281 144 Q HA 0.535 4.883 4.340 0.013 0.000 0.263 144 Q C -1.652 174.451 176.000 0.171 0.000 0.989 144 Q CA -0.034 55.860 55.803 0.152 0.000 0.852 144 Q CB 2.716 31.468 28.738 0.022 0.000 1.337 144 Q HN 0.436 nan 8.270 nan 0.000 0.418 145 T N 2.326 116.960 114.554 0.133 0.000 2.907 145 T HA 0.423 4.781 4.350 0.013 0.000 0.292 145 T C -1.297 173.372 174.700 -0.052 0.000 1.043 145 T CA -0.762 61.358 62.100 0.033 0.000 1.003 145 T CB 1.489 70.371 68.868 0.024 0.000 1.084 145 T HN 0.420 nan 8.240 nan 0.000 0.483 146 K N 2.837 123.201 120.400 -0.059 0.000 2.268 146 K HA 0.502 4.829 4.320 0.013 0.000 0.276 146 K C -0.067 176.501 176.600 -0.053 0.000 1.080 146 K CA -0.721 55.529 56.287 -0.063 0.000 0.910 146 K CB -0.346 32.123 32.500 -0.053 0.000 1.163 146 K HN 0.503 nan 8.250 nan 0.000 0.465 147 V N 1.300 121.185 119.914 -0.048 0.000 3.403 147 V HA 0.538 4.665 4.120 0.013 0.000 0.305 147 V C 1.114 177.191 176.094 -0.028 0.000 1.060 147 V CA 0.256 62.532 62.300 -0.039 0.000 1.053 147 V CB 0.982 32.787 31.823 -0.030 0.000 1.198 147 V HN 0.667 nan 8.190 nan 0.000 0.447 148 A N -0.114 122.695 122.820 -0.019 0.000 2.169 148 A HA 0.629 4.957 4.320 0.013 0.000 0.212 148 A C 1.144 178.726 177.584 -0.003 0.000 1.153 148 A CA 1.007 53.039 52.037 -0.008 0.000 0.756 148 A CB -0.873 18.129 19.000 0.002 0.000 0.813 148 A HN 1.818 nan 8.150 nan 0.000 0.471 149 G N -1.113 107.684 108.800 -0.005 0.000 2.554 149 G HA2 0.466 4.434 3.960 0.013 0.000 0.306 149 G HA3 0.466 4.434 3.960 0.013 0.000 0.306 149 G C -1.404 173.493 174.900 -0.006 0.000 1.320 149 G CA -0.763 44.334 45.100 -0.004 0.000 0.800 149 G HN 0.250 nan 8.290 nan 0.000 0.481 150 E N -0.356 119.843 120.200 -0.002 0.000 2.415 150 E HA 0.413 4.771 4.350 0.013 0.000 0.262 150 E C -0.008 176.592 176.600 -0.000 0.000 1.038 150 E CA 0.225 56.628 56.400 0.005 0.000 0.921 150 E CB 1.071 30.784 29.700 0.021 0.000 0.950 150 E HN 0.664 nan 8.360 nan 0.000 0.438 151 A N 3.723 126.548 122.820 0.009 0.000 2.654 151 A HA 0.277 4.604 4.320 0.013 0.000 0.345 151 A C 0.334 177.932 177.584 0.024 0.000 1.368 151 A CA -0.540 51.505 52.037 0.013 0.000 0.895 151 A CB -0.236 18.776 19.000 0.020 0.000 1.143 151 A HN 0.661 nan 8.150 nan 0.000 0.490 152 L N 0.676 121.912 121.223 0.023 0.000 2.607 152 L HA 0.139 4.486 4.340 0.013 0.000 0.228 152 L C 0.505 177.396 176.870 0.035 0.000 1.123 152 L CA 0.343 55.201 54.840 0.029 0.000 0.890 152 L CB 0.238 42.343 42.059 0.077 0.000 1.103 152 L HN 0.509 nan 8.230 nan 0.000 0.468 153 S N 0.020 115.747 115.700 0.045 0.000 2.578 153 S HA 0.428 4.906 4.470 0.013 0.000 0.301 153 S C -0.227 174.423 174.600 0.082 0.000 1.091 153 S CA -0.846 57.397 58.200 0.072 0.000 1.032 153 S CB 1.655 64.905 63.200 0.084 0.000 1.064 153 S HN 0.254 nan 8.310 nan 0.000 0.508 154 R N 0.791 121.360 120.500 0.114 0.000 2.583 154 R HA 0.149 4.496 4.340 0.013 0.000 0.274 154 R C -2.915 173.427 176.300 0.070 0.000 0.998 154 R CA -0.745 55.421 56.100 0.111 0.000 1.081 154 R CB -0.931 29.474 30.300 0.175 0.000 0.940 154 R HN 0.173 nan 8.270 nan 0.000 0.413 155 P HA 0.028 nan 4.420 nan 0.000 0.271 155 P C -0.952 176.325 177.300 -0.038 0.000 1.218 155 P CA -0.372 62.720 63.100 -0.013 0.000 0.780 155 P CB 0.951 32.622 31.700 -0.048 0.000 0.901 156 V N 3.728 123.601 119.914 -0.069 0.000 2.487 156 V HA 0.240 4.368 4.120 0.013 0.000 0.298 156 V C -0.056 175.974 176.094 -0.106 0.000 1.028 156 V CA -0.699 61.567 62.300 -0.057 0.000 0.860 156 V CB 2.201 34.013 31.823 -0.018 0.000 0.991 156 V HN 0.203 nan 8.190 nan 0.000 0.427 157 V N 3.821 123.678 119.914 -0.094 0.000 2.383 157 V HA 0.499 4.627 4.120 0.013 0.000 0.275 157 V C 0.275 176.346 176.094 -0.039 0.000 1.036 157 V CA 0.029 62.271 62.300 -0.096 0.000 0.889 157 V CB 1.588 33.370 31.823 -0.068 0.000 0.985 157 V HN 0.852 nan 8.190 nan 0.000 0.459 158 S N 3.300 118.981 115.700 -0.032 0.000 2.605 158 S HA 0.518 4.995 4.470 0.013 0.000 0.308 158 S C 0.072 174.676 174.600 0.008 0.000 1.113 158 S CA -0.071 58.125 58.200 -0.006 0.000 1.049 158 S CB 0.784 63.985 63.200 0.003 0.000 1.001 158 S HN 1.235 nan 8.310 nan 0.000 0.480 159 D N 4.402 124.813 120.400 0.018 0.000 4.072 159 D HA -0.236 4.412 4.640 0.013 0.000 0.146 159 D C 0.747 177.068 176.300 0.035 0.000 0.777 159 D CA 1.751 55.768 54.000 0.028 0.000 1.099 159 D CB -1.503 39.316 40.800 0.033 0.000 0.497 159 D HN 0.813 nan 8.370 nan 0.000 0.483 160 G N -0.907 107.915 108.800 0.036 0.000 4.291 160 G HA2 0.522 4.490 3.960 0.013 0.000 0.304 160 G HA3 0.522 4.490 3.960 0.013 0.000 0.304 160 G C -0.859 174.055 174.900 0.023 0.000 1.264 160 G CA -0.184 44.944 45.100 0.046 0.000 1.039 160 G HN 0.352 nan 8.290 nan 0.000 0.578 161 L N 0.832 122.053 121.223 -0.003 0.000 2.438 161 L HA 0.484 4.832 4.340 0.013 0.000 0.270 161 L C -0.486 176.323 176.870 -0.101 0.000 0.972 161 L CA -1.137 53.666 54.840 -0.062 0.000 0.831 161 L CB 2.340 44.368 42.059 -0.053 0.000 1.273 161 L HN -0.071 nan 8.230 nan 0.000 0.405 162 V N 5.095 124.922 119.914 -0.144 0.000 2.350 162 V HA 0.470 4.598 4.120 0.013 0.000 0.276 162 V C 0.141 176.117 176.094 -0.197 0.000 1.028 162 V CA -0.648 61.520 62.300 -0.219 0.000 0.860 162 V CB 1.216 32.869 31.823 -0.284 0.000 0.990 162 V HN 0.486 nan 8.190 nan 0.000 0.453 163 L N 5.908 127.031 121.223 -0.167 0.000 2.312 163 L HA 0.594 4.941 4.340 0.013 0.000 0.281 163 L C -0.550 176.270 176.870 -0.084 0.000 1.070 163 L CA -0.387 54.365 54.840 -0.148 0.000 0.805 163 L CB 1.235 43.240 42.059 -0.090 0.000 1.174 163 L HN 0.385 nan 8.230 nan 0.000 0.434 164 I N 2.182 122.713 120.570 -0.065 0.000 2.468 164 I HA 0.236 4.414 4.170 0.013 0.000 0.285 164 I C -0.621 175.546 176.117 0.083 0.000 1.039 164 I CA -0.520 60.782 61.300 0.003 0.000 1.074 164 I CB 1.363 39.351 38.000 -0.020 0.000 1.228 164 I HN 0.550 nan 8.210 nan 0.000 0.436 165 H N 5.348 124.417 119.070 -0.002 0.000 2.556 165 H HA 0.529 5.092 4.556 0.012 0.000 0.310 165 H C -0.154 175.188 175.328 0.023 0.000 1.057 165 H CA -0.350 55.708 56.048 0.017 0.000 1.264 165 H CB 0.978 30.758 29.762 0.031 0.000 1.404 165 H HN 0.716 nan 8.280 nan 0.000 0.462 166 T N 1.190 115.764 114.554 0.033 0.000 2.902 166 T HA 0.215 4.572 4.350 0.013 0.000 0.280 166 T C 1.180 175.777 174.700 -0.173 0.000 0.992 166 T CA -0.532 61.533 62.100 -0.058 0.000 1.015 166 T CB 1.115 69.985 68.868 0.003 0.000 1.044 166 T HN 0.481 nan 8.240 nan 0.000 0.520 167 S N 1.343 116.980 115.700 -0.104 0.000 2.507 167 S HA -0.053 4.425 4.470 0.013 0.000 0.235 167 S C 1.327 175.892 174.600 -0.058 0.000 0.988 167 S CA 0.618 58.761 58.200 -0.095 0.000 0.944 167 S CB -0.527 62.654 63.200 -0.032 0.000 0.762 167 S HN 0.908 nan 8.310 nan 0.000 0.526 168 N N 0.603 119.285 118.700 -0.029 0.000 2.376 168 N HA 0.288 5.036 4.740 0.013 0.000 0.249 168 N C 0.647 176.174 175.510 0.029 0.000 1.140 168 N CA 0.255 53.304 53.050 -0.001 0.000 0.870 168 N CB -0.201 38.289 38.487 0.004 0.000 1.124 168 N HN 0.188 nan 8.380 nan 0.000 0.505 169 G N -0.086 108.746 108.800 0.053 0.000 2.160 169 G HA2 -0.244 3.724 3.960 0.013 0.000 0.244 169 G HA3 -0.244 3.724 3.960 0.013 0.000 0.244 169 G C -0.746 174.247 174.900 0.154 0.000 1.022 169 G CA -0.148 45.037 45.100 0.141 0.000 0.741 169 G HN 0.410 nan 8.290 nan 0.000 0.508 170 Q N -0.962 118.935 119.800 0.161 0.000 2.309 170 Q HA 0.730 5.077 4.340 0.013 0.000 0.264 170 Q C -0.411 175.703 176.000 0.190 0.000 1.008 170 Q CA -0.979 54.908 55.803 0.139 0.000 0.853 170 Q CB 2.431 31.220 28.738 0.086 0.000 1.314 170 Q HN 0.411 nan 8.270 nan 0.000 0.448 171 L N 1.778 123.095 121.223 0.157 0.000 2.307 171 L HA 0.385 4.733 4.340 0.013 0.000 0.284 171 L C -0.872 176.046 176.870 0.081 0.000 1.023 171 L CA 0.107 55.031 54.840 0.140 0.000 0.810 171 L CB 1.434 43.580 42.059 0.145 0.000 1.231 171 L HN 0.524 nan 8.230 nan 0.000 0.423 172 Q N 3.545 123.293 119.800 -0.086 0.000 2.347 172 Q HA 0.789 5.137 4.340 0.013 0.000 0.271 172 Q C -1.271 174.410 176.000 -0.532 0.000 1.064 172 Q CA -0.945 54.694 55.803 -0.273 0.000 0.800 172 Q CB 2.286 30.930 28.738 -0.156 0.000 1.304 172 Q HN 0.806 nan 8.270 nan 0.000 0.438 173 A N 3.549 125.798 122.820 -0.951 0.000 2.287 173 A HA 0.642 4.970 4.320 0.013 0.000 0.317 173 A C -0.773 176.467 177.584 -0.573 0.000 1.220 173 A CA -0.534 50.961 52.037 -0.904 0.000 0.835 173 A CB 0.455 18.543 19.000 -1.520 0.000 1.180 173 A HN 0.662 nan 8.150 nan 0.000 0.500 174 L N 1.978 122.982 121.223 -0.366 0.000 2.322 174 L HA 0.354 4.701 4.340 0.013 0.000 0.279 174 L C 0.345 177.052 176.870 -0.271 0.000 1.036 174 L CA -1.064 53.585 54.840 -0.319 0.000 0.807 174 L CB 1.373 43.276 42.059 -0.259 0.000 1.226 174 L HN 0.807 nan 8.230 nan 0.000 0.433 175 N N 1.383 119.904 118.700 -0.298 0.000 2.483 175 N HA -0.087 4.660 4.740 0.013 0.000 0.264 175 N C 0.861 176.293 175.510 -0.130 0.000 1.197 175 N CA 0.351 53.283 53.050 -0.198 0.000 0.927 175 N CB 0.908 39.279 38.487 -0.194 0.000 1.065 175 N HN 0.694 nan 8.380 nan 0.000 0.461 176 E N 3.487 123.740 120.200 0.088 0.000 2.110 176 E HA -0.216 4.141 4.350 0.013 0.000 0.193 176 E C 1.308 178.248 176.600 0.567 0.000 0.988 176 E CA 1.283 57.916 56.400 0.389 0.000 0.804 176 E CB -0.079 29.800 29.700 0.299 0.000 0.745 176 E HN 0.717 nan 8.360 nan 0.000 0.458 177 A N 1.660 124.647 122.820 0.280 0.000 1.841 177 A HA -0.186 4.141 4.320 0.013 0.000 0.214 177 A C 1.836 179.527 177.584 0.178 0.000 1.195 177 A CA 1.976 54.174 52.037 0.268 0.000 0.611 177 A CB -0.397 18.670 19.000 0.112 0.000 0.835 177 A HN 0.577 nan 8.150 nan 0.000 0.443 178 D N -3.766 116.508 120.400 -0.210 0.000 2.449 178 D HA 0.294 4.941 4.640 0.013 0.000 0.210 178 D C 1.164 176.715 176.300 -1.250 0.000 1.094 178 D CA 1.051 54.786 54.000 -0.441 0.000 0.846 178 D CB -0.347 40.314 40.800 -0.233 0.000 1.003 178 D HN 0.967 nan 8.370 nan 0.000 0.504 179 G N 0.431 108.165 108.800 -1.777 0.000 2.179 179 G HA2 -0.181 3.786 3.960 0.013 0.000 0.260 179 G HA3 -0.181 3.786 3.960 0.013 0.000 0.260 179 G C 0.598 174.933 174.900 -0.942 0.000 0.977 179 G CA 0.243 43.995 45.100 -2.247 0.000 0.641 179 G HN 0.834 nan 8.290 nan 0.000 0.533 180 A N -0.189 122.278 122.820 -0.589 0.000 2.483 180 A HA 0.555 4.882 4.320 0.013 0.000 0.238 180 A C 0.850 178.249 177.584 -0.308 0.000 1.070 180 A CA 0.547 52.376 52.037 -0.347 0.000 0.770 180 A CB 0.658 19.517 19.000 -0.235 0.000 1.008 180 A HN 1.201 nan 8.150 nan 0.000 0.497 181 V N 3.875 123.651 119.914 -0.231 0.000 2.415 181 V HA 0.047 4.175 4.120 0.013 0.000 0.267 181 V C 1.431 177.421 176.094 -0.174 0.000 1.042 181 V CA 0.526 62.699 62.300 -0.212 0.000 1.000 181 V CB 0.504 32.237 31.823 -0.149 0.000 1.015 181 V HN 1.124 nan 8.190 nan 0.000 0.478 182 K N 6.881 127.143 120.400 -0.230 0.000 2.044 182 K HA 0.043 4.371 4.320 0.013 0.000 0.204 182 K C 0.469 177.067 176.600 -0.004 0.000 1.049 182 K CA 1.081 57.286 56.287 -0.136 0.000 0.945 182 K CB 0.307 32.714 32.500 -0.154 0.000 0.724 182 K HN 0.725 nan 8.250 nan 0.000 0.440 183 W N -1.464 119.805 121.300 -0.051 0.000 3.042 183 W HA 0.571 5.239 4.660 0.013 0.000 0.342 183 W C -1.511 174.985 176.519 -0.038 0.000 1.240 183 W CA -0.904 56.415 57.345 -0.042 0.000 1.166 183 W CB 0.418 29.855 29.460 -0.039 0.000 1.469 183 W HN -0.252 nan 8.180 nan 0.000 0.579 184 T N 1.561 116.346 114.554 0.386 0.000 2.921 184 T HA 0.502 4.860 4.350 0.013 0.000 0.297 184 T C -0.962 173.924 174.700 0.309 0.000 1.013 184 T CA -0.397 61.856 62.100 0.256 0.000 0.990 184 T CB 2.328 71.259 68.868 0.106 0.000 1.023 184 T HN 0.325 nan 8.240 nan 0.000 0.447 185 V N 3.196 123.293 119.914 0.304 0.000 2.680 185 V HA 0.544 4.671 4.120 0.013 0.000 0.309 185 V C -0.267 175.890 176.094 0.106 0.000 1.052 185 V CA -1.051 61.347 62.300 0.162 0.000 0.908 185 V CB 2.098 33.991 31.823 0.117 0.000 1.001 185 V HN 0.813 nan 8.190 nan 0.000 0.431 186 N N 3.208 121.944 118.700 0.060 0.000 2.439 186 N HA 0.366 5.113 4.740 0.013 0.000 0.249 186 N C 0.479 176.010 175.510 0.034 0.000 1.003 186 N CA -0.293 52.786 53.050 0.049 0.000 0.942 186 N CB 0.989 39.497 38.487 0.036 0.000 1.115 186 N HN 0.628 nan 8.380 nan 0.000 0.505 187 L N 1.471 122.722 121.223 0.047 0.000 2.492 187 L HA 0.231 4.579 4.340 0.013 0.000 0.223 187 L C -0.341 176.553 176.870 0.040 0.000 1.132 187 L CA 0.235 55.096 54.840 0.034 0.000 0.850 187 L CB -0.368 41.715 42.059 0.041 0.000 0.966 187 L HN 0.506 nan 8.230 nan 0.000 0.454 188 D N -0.197 120.228 120.400 0.042 0.000 8.508 188 D HA -0.105 4.543 4.640 0.013 0.000 0.254 188 D C -0.507 175.813 176.300 0.033 0.000 2.363 188 D CA 0.182 54.202 54.000 0.032 0.000 2.273 188 D CB -0.132 40.683 40.800 0.025 0.000 0.857 188 D HN 0.002 nan 8.370 nan 0.000 0.553 189 M N 2.904 122.518 119.600 0.024 0.000 2.327 189 M HA 0.125 4.612 4.480 0.013 0.000 0.353 189 M C -2.028 174.274 176.300 0.004 0.000 1.539 189 M CA -0.258 55.052 55.300 0.017 0.000 1.039 189 M CB 0.378 32.984 32.600 0.011 0.000 1.967 189 M HN 0.020 nan 8.290 nan 0.000 0.459 190 P HA 0.145 nan 4.420 nan 0.000 0.271 190 P C -0.054 177.220 177.300 -0.042 0.000 1.216 190 P CA -0.221 62.860 63.100 -0.032 0.000 0.771 190 P CB 0.809 32.486 31.700 -0.037 0.000 0.864 191 S N 1.708 117.372 115.700 -0.061 0.000 2.372 191 S HA -0.118 4.360 4.470 0.013 0.000 0.227 191 S C 0.844 175.414 174.600 -0.051 0.000 1.044 191 S CA 1.249 59.417 58.200 -0.054 0.000 1.050 191 S CB -0.556 62.606 63.200 -0.064 0.000 0.901 191 S HN 0.383 nan 8.310 nan 0.000 0.447 192 L N 0.297 121.476 121.223 -0.073 0.000 2.388 192 L HA 0.478 4.826 4.340 0.013 0.000 0.264 192 L C -0.497 176.334 176.870 -0.065 0.000 0.998 192 L CA -0.633 54.171 54.840 -0.061 0.000 0.817 192 L CB 2.048 44.068 42.059 -0.066 0.000 1.338 192 L HN -0.100 nan 8.230 nan 0.000 0.414 193 S N 1.935 117.609 115.700 -0.044 0.000 2.565 193 S HA 0.694 5.172 4.470 0.013 0.000 0.274 193 S C -0.288 174.283 174.600 -0.048 0.000 1.309 193 S CA -0.462 57.714 58.200 -0.039 0.000 1.043 193 S CB 0.848 64.036 63.200 -0.020 0.000 0.939 193 S HN 0.295 nan 8.310 nan 0.000 0.504 194 L N 1.777 122.975 121.223 -0.042 0.000 2.301 194 L HA 0.571 4.918 4.340 0.013 0.000 0.264 194 L C 0.230 177.045 176.870 -0.093 0.000 1.016 194 L CA -1.126 53.684 54.840 -0.051 0.000 0.821 194 L CB 1.336 43.402 42.059 0.011 0.000 1.346 194 L HN 0.456 nan 8.230 nan 0.000 0.429 195 R N 0.364 120.755 120.500 -0.182 0.000 2.643 195 R HA 0.540 4.887 4.340 0.013 0.000 0.270 195 R C -0.111 176.205 176.300 0.028 0.000 1.061 195 R CA 0.525 56.457 56.100 -0.279 0.000 1.107 195 R CB 0.683 30.765 30.300 -0.363 0.000 0.999 195 R HN 0.866 nan 8.270 nan 0.000 0.460 196 G N 1.746 110.671 108.800 0.209 0.000 2.634 196 G HA2 -0.102 3.866 3.960 0.013 0.000 0.568 196 G HA3 -0.102 3.866 3.960 0.013 0.000 0.568 196 G C -1.043 173.982 174.900 0.208 0.000 1.495 196 G CA -1.036 44.188 45.100 0.207 0.000 0.903 196 G HN 0.551 nan 8.290 nan 0.000 0.646 197 E N 0.178 120.479 120.200 0.168 0.000 2.459 197 E HA 0.373 4.730 4.350 0.013 0.000 0.264 197 E C 0.544 177.222 176.600 0.129 0.000 1.055 197 E CA 0.889 57.364 56.400 0.125 0.000 0.957 197 E CB 0.787 30.532 29.700 0.075 0.000 0.952 197 E HN 0.467 nan 8.360 nan 0.000 0.448 198 S N 1.348 117.128 115.700 0.134 0.000 2.539 198 S HA 0.376 4.854 4.470 0.013 0.000 0.185 198 S C -0.680 174.072 174.600 0.253 0.000 1.181 198 S CA -0.366 57.957 58.200 0.205 0.000 1.216 198 S CB 0.126 63.469 63.200 0.239 0.000 1.476 198 S HN 0.599 nan 8.310 nan 0.000 0.395 199 A N 3.374 126.287 122.820 0.155 0.000 2.483 199 A HA 0.594 4.922 4.320 0.013 0.000 0.238 199 A C -2.311 175.337 177.584 0.106 0.000 1.070 199 A CA -0.814 51.300 52.037 0.129 0.000 0.770 199 A CB -0.213 18.834 19.000 0.078 0.000 1.008 199 A HN 0.488 nan 8.150 nan 0.000 0.497 200 P HA 0.321 nan 4.420 nan 0.000 0.273 200 P C -0.092 177.216 177.300 0.013 0.000 1.250 200 P CA -0.023 63.082 63.100 0.008 0.000 0.793 200 P CB 0.807 32.500 31.700 -0.011 0.000 1.011 201 T N -0.825 113.729 114.554 0.000 0.000 2.901 201 T HA 0.652 5.010 4.350 0.013 0.000 0.293 201 T C -1.063 173.626 174.700 -0.019 0.000 1.084 201 T CA -0.401 61.698 62.100 -0.001 0.000 1.008 201 T CB 0.885 69.762 68.868 0.015 0.000 1.170 201 T HN 0.571 nan 8.240 nan 0.000 0.509 202 T N -0.095 114.439 114.554 -0.033 0.000 2.893 202 T HA 0.864 5.222 4.350 0.013 0.000 0.291 202 T C -0.931 173.704 174.700 -0.107 0.000 1.028 202 T CA -0.898 61.171 62.100 -0.052 0.000 0.995 202 T CB 1.631 70.472 68.868 -0.046 0.000 1.051 202 T HN 0.929 nan 8.240 nan 0.000 0.470 203 A N 1.914 124.659 122.820 -0.125 0.000 2.480 203 A HA 0.631 4.958 4.320 0.013 0.000 0.289 203 A C -0.254 177.226 177.584 -0.173 0.000 1.044 203 A CA -1.036 50.811 52.037 -0.318 0.000 0.761 203 A CB 0.012 18.871 19.000 -0.234 0.000 1.289 203 A HN 1.223 nan 8.150 nan 0.000 0.401 204 F N 1.123 121.088 119.950 0.025 0.000 3.067 204 F HA -0.199 4.336 4.527 0.014 0.000 0.279 204 F C 1.615 177.422 175.800 0.011 0.000 0.945 204 F CA 1.478 59.490 58.000 0.021 0.000 0.948 204 F CB -1.267 37.748 39.000 0.025 0.000 0.898 204 F HN 2.145 nan 8.300 nan 0.000 0.746 205 G N -1.295 107.562 108.800 0.094 0.000 2.157 205 G HA2 0.083 4.050 3.960 0.013 0.000 0.248 205 G HA3 0.083 4.050 3.960 0.013 0.000 0.248 205 G C 0.001 174.922 174.900 0.035 0.000 0.979 205 G CA -0.154 44.986 45.100 0.066 0.000 0.650 205 G HN 1.669 nan 8.290 nan 0.000 0.529 206 A N -0.518 122.315 122.820 0.022 0.000 2.365 206 A HA 1.009 5.337 4.320 0.013 0.000 0.318 206 A C 0.215 177.777 177.584 -0.036 0.000 1.091 206 A CA 0.481 52.501 52.037 -0.029 0.000 0.763 206 A CB 1.609 20.578 19.000 -0.050 0.000 1.248 206 A HN 2.005 nan 8.150 nan 0.000 0.442 207 A N 1.414 124.207 122.820 -0.045 0.000 2.301 207 A HA 0.622 4.950 4.320 0.013 0.000 0.298 207 A C -0.480 177.033 177.584 -0.119 0.000 1.185 207 A CA -0.343 51.672 52.037 -0.037 0.000 0.830 207 A CB 0.435 19.457 19.000 0.037 0.000 1.112 207 A HN 1.102 nan 8.150 nan 0.000 0.508 208 V N 3.231 123.083 119.914 -0.104 0.000 2.417 208 V HA 0.582 4.710 4.120 0.013 0.000 0.291 208 V C -0.307 175.725 176.094 -0.103 0.000 1.024 208 V CA -0.453 61.760 62.300 -0.145 0.000 0.861 208 V CB 1.229 33.013 31.823 -0.066 0.000 0.985 208 V HN 0.836 nan 8.190 nan 0.000 0.436 209 V N 4.509 124.336 119.914 -0.144 0.000 2.760 209 V HA 0.928 5.055 4.120 0.013 0.000 0.309 209 V C 0.397 176.441 176.094 -0.084 0.000 1.077 209 V CA 0.378 62.590 62.300 -0.147 0.000 0.910 209 V CB 1.967 33.601 31.823 -0.314 0.000 1.008 209 V HN 0.887 nan 8.190 nan 0.000 0.424 210 G N 3.581 112.386 108.800 0.009 0.000 2.714 210 G HA2 0.871 4.839 3.960 0.013 0.000 0.197 210 G HA3 0.871 4.839 3.960 0.013 0.000 0.197 210 G C 0.297 175.289 174.900 0.154 0.000 1.449 210 G CA -0.174 44.984 45.100 0.096 0.000 1.065 210 G HN 1.915 nan 8.290 nan 0.000 0.575 211 G N -2.265 106.668 108.800 0.222 0.000 2.341 211 G HA2 0.275 4.242 3.960 0.013 0.000 0.293 211 G HA3 0.275 4.242 3.960 0.013 0.000 0.293 211 G C -0.518 174.492 174.900 0.184 0.000 1.298 211 G CA 0.111 45.385 45.100 0.290 0.000 0.868 211 G HN 0.272 nan 8.290 nan 0.000 0.540 212 D N 0.267 120.733 120.400 0.110 0.000 2.355 212 D HA -0.027 4.621 4.640 0.013 0.000 0.218 212 D C 1.986 178.228 176.300 -0.097 0.000 1.004 212 D CA 0.886 54.890 54.000 0.006 0.000 0.880 212 D CB 0.094 40.869 40.800 -0.041 0.000 0.911 212 D HN 0.413 nan 8.370 nan 0.000 0.528 213 N N 0.305 119.005 118.700 -0.001 0.000 2.494 213 N HA -0.039 4.709 4.740 0.013 0.000 0.182 213 N C 1.556 177.082 175.510 0.026 0.000 1.076 213 N CA 1.002 54.044 53.050 -0.012 0.000 0.908 213 N CB -0.281 38.227 38.487 0.036 0.000 0.967 213 N HN 0.146 nan 8.380 nan 0.000 0.449 214 G N -0.336 108.534 108.800 0.116 0.000 2.176 214 G HA2 -0.311 3.657 3.960 0.013 0.000 0.253 214 G HA3 -0.311 3.657 3.960 0.013 0.000 0.253 214 G C 0.021 175.017 174.900 0.160 0.000 0.979 214 G CA 0.085 45.324 45.100 0.231 0.000 0.641 214 G HN 0.486 nan 8.290 nan 0.000 0.530 215 R N -0.544 120.032 120.500 0.126 0.000 2.643 215 R HA 0.683 5.031 4.340 0.013 0.000 0.272 215 R C -0.173 176.200 176.300 0.123 0.000 0.995 215 R CA -0.145 56.023 56.100 0.115 0.000 1.032 215 R CB 2.270 32.625 30.300 0.092 0.000 1.126 215 R HN 0.536 nan 8.270 nan 0.000 0.505 216 V N 0.532 120.537 119.914 0.150 0.000 2.555 216 V HA 0.642 4.769 4.120 0.013 0.000 0.302 216 V C -1.007 175.176 176.094 0.147 0.000 1.038 216 V CA -0.185 62.208 62.300 0.155 0.000 0.887 216 V CB 2.011 33.954 31.823 0.200 0.000 0.991 216 V HN 0.741 nan 8.190 nan 0.000 0.434 217 S N 4.555 120.210 115.700 -0.074 0.000 2.542 217 S HA 0.913 5.391 4.470 0.013 0.000 0.293 217 S C -0.303 173.931 174.600 -0.609 0.000 1.089 217 S CA -0.224 57.809 58.200 -0.279 0.000 0.961 217 S CB 1.774 64.868 63.200 -0.176 0.000 1.062 217 S HN 1.545 nan 8.310 nan 0.000 0.483 218 A N 1.813 124.020 122.820 -1.022 0.000 2.303 218 A HA 0.783 5.110 4.320 0.013 0.000 0.320 218 A C -0.322 176.935 177.584 -0.544 0.000 1.192 218 A CA -0.812 50.670 52.037 -0.924 0.000 0.821 218 A CB 0.549 18.650 19.000 -1.498 0.000 1.188 218 A HN 1.194 nan 8.150 nan 0.000 0.492 219 V N 2.027 121.734 119.914 -0.346 0.000 2.656 219 V HA 0.760 4.887 4.120 0.013 0.000 0.307 219 V C -0.731 175.225 176.094 -0.230 0.000 1.051 219 V CA -0.987 61.144 62.300 -0.282 0.000 0.893 219 V CB 1.417 33.080 31.823 -0.267 0.000 0.999 219 V HN 0.856 nan 8.190 nan 0.000 0.426 220 L N 5.191 126.266 121.223 -0.247 0.000 2.416 220 L HA 0.440 4.788 4.340 0.013 0.000 0.272 220 L C 1.082 177.833 176.870 -0.199 0.000 1.161 220 L CA 0.539 55.272 54.840 -0.178 0.000 0.845 220 L CB 1.057 43.020 42.059 -0.160 0.000 1.119 220 L HN 0.872 nan 8.230 nan 0.000 0.464 221 M N 2.190 121.767 119.600 -0.039 0.000 2.618 221 M HA -0.009 4.479 4.480 0.013 0.000 0.240 221 M C 1.386 177.787 176.300 0.168 0.000 1.123 221 M CA 0.507 55.889 55.300 0.137 0.000 1.060 221 M CB 0.038 32.754 32.600 0.193 0.000 1.535 221 M HN 0.774 nan 8.290 nan 0.000 0.507 222 E N 0.970 121.167 120.200 -0.005 0.000 2.008 222 E HA -0.174 4.183 4.350 0.013 0.000 0.191 222 E C 0.878 177.477 176.600 -0.002 0.000 0.986 222 E CA 1.204 57.622 56.400 0.029 0.000 0.807 222 E CB 0.326 30.012 29.700 -0.023 0.000 0.766 222 E HN 0.453 nan 8.360 nan 0.000 0.450 223 Q N -1.614 118.011 119.800 -0.291 0.000 2.110 223 Q HA 0.253 4.601 4.340 0.013 0.000 0.232 223 Q C -0.378 175.013 176.000 -1.015 0.000 0.810 223 Q CA 0.335 55.866 55.803 -0.454 0.000 1.083 223 Q CB 2.009 30.630 28.738 -0.194 0.000 1.193 223 Q HN 0.403 nan 8.270 nan 0.000 0.471 224 G N 1.465 109.299 108.800 -1.610 0.000 2.272 224 G HA2 -0.293 3.675 3.960 0.013 0.000 0.280 224 G HA3 -0.293 3.675 3.960 0.013 0.000 0.280 224 G C -0.478 173.960 174.900 -0.770 0.000 1.067 224 G CA -0.144 43.888 45.100 -1.780 0.000 0.902 224 G HN 0.253 nan 8.290 nan 0.000 0.500 225 Q N -1.025 118.462 119.800 -0.521 0.000 2.243 225 Q HA 0.686 5.034 4.340 0.013 0.000 0.252 225 Q C 0.498 176.340 176.000 -0.263 0.000 0.909 225 Q CA -0.661 54.958 55.803 -0.308 0.000 0.922 225 Q CB 1.227 29.836 28.738 -0.214 0.000 1.215 225 Q HN 0.377 nan 8.270 nan 0.000 0.427 226 M N 3.291 122.772 119.600 -0.199 0.000 2.251 226 M HA 0.150 4.638 4.480 0.013 0.000 0.346 226 M C -0.500 175.717 176.300 -0.138 0.000 1.499 226 M CA 0.574 55.771 55.300 -0.171 0.000 1.128 226 M CB 0.051 32.583 32.600 -0.114 0.000 1.809 226 M HN 0.813 nan 8.290 nan 0.000 0.464 227 I N 4.878 125.335 120.570 -0.189 0.000 2.260 227 I HA 0.075 4.252 4.170 0.013 0.000 0.237 227 I C 0.473 176.593 176.117 0.005 0.000 1.075 227 I CA 0.779 62.004 61.300 -0.126 0.000 1.376 227 I CB -0.157 37.721 38.000 -0.204 0.000 1.107 227 I HN 0.672 nan 8.210 nan 0.000 0.420 228 W N 0.005 121.282 121.300 -0.038 0.000 3.075 228 W HA 0.667 5.335 4.660 0.013 0.000 0.334 228 W C -1.482 175.018 176.519 -0.032 0.000 1.243 228 W CA -0.720 56.604 57.345 -0.034 0.000 1.170 228 W CB 1.223 30.662 29.460 -0.035 0.000 1.452 228 W HN -0.108 nan 8.180 nan 0.000 0.572 229 Q N 1.633 121.690 119.800 0.427 0.000 2.263 229 Q HA 0.200 4.548 4.340 0.013 0.000 0.266 229 Q C -1.587 174.587 176.000 0.291 0.000 1.002 229 Q CA -0.683 55.303 55.803 0.304 0.000 0.790 229 Q CB 3.488 32.303 28.738 0.128 0.000 1.272 229 Q HN 0.426 nan 8.270 nan 0.000 0.435 230 Q N 2.142 122.122 119.800 0.300 0.000 2.321 230 Q HA 0.338 4.686 4.340 0.013 0.000 0.270 230 Q C -1.446 174.618 176.000 0.106 0.000 1.032 230 Q CA -0.568 55.319 55.803 0.140 0.000 0.784 230 Q CB 1.618 30.384 28.738 0.045 0.000 1.264 230 Q HN 0.539 nan 8.270 nan 0.000 0.448 231 R N 4.504 125.043 120.500 0.065 0.000 2.316 231 R HA 0.259 4.606 4.340 0.013 0.000 0.314 231 R C 0.386 176.714 176.300 0.047 0.000 1.069 231 R CA 0.181 56.320 56.100 0.065 0.000 0.959 231 R CB 0.116 30.449 30.300 0.054 0.000 0.987 231 R HN 0.907 nan 8.270 nan 0.000 0.446 232 I N 0.545 121.153 120.570 0.063 0.000 4.018 232 I HA 0.285 4.462 4.170 0.013 0.000 0.337 232 I C -0.358 175.784 176.117 0.043 0.000 1.327 232 I CA -0.396 60.926 61.300 0.037 0.000 1.100 232 I CB 0.383 38.400 38.000 0.029 0.000 1.025 232 I HN 0.560 nan 8.210 nan 0.000 0.396 233 S N 0.024 115.773 115.700 0.082 0.000 2.643 233 S HA 0.402 4.880 4.470 0.013 0.000 0.266 233 S C -1.051 173.642 174.600 0.154 0.000 1.130 233 S CA -1.046 57.209 58.200 0.091 0.000 0.817 233 S CB 0.991 64.224 63.200 0.055 0.000 1.107 233 S HN 0.398 nan 8.310 nan 0.000 0.471 234 Q N 0.873 120.774 119.800 0.169 0.000 2.316 234 Q HA 0.753 5.101 4.340 0.013 0.000 0.215 234 Q C 0.182 176.313 176.000 0.217 0.000 1.020 234 Q CA -0.734 55.165 55.803 0.160 0.000 0.970 234 Q CB 0.348 29.155 28.738 0.115 0.000 1.187 234 Q HN 1.040 nan 8.270 nan 0.000 0.546 235 A N 1.110 123.988 122.820 0.096 0.000 2.440 235 A HA 0.302 4.629 4.320 0.013 0.000 0.251 235 A C 0.251 177.781 177.584 -0.089 0.000 1.089 235 A CA -0.261 51.770 52.037 -0.010 0.000 0.779 235 A CB -0.110 18.880 19.000 -0.016 0.000 1.022 235 A HN 0.688 nan 8.150 nan 0.000 0.492 236 T N 0.598 114.933 114.554 -0.364 0.000 2.853 236 T HA 0.506 4.863 4.350 0.013 0.000 0.298 236 T C 0.257 174.856 174.700 -0.169 0.000 0.978 236 T CA 0.232 62.069 62.100 -0.438 0.000 1.152 236 T CB 0.546 68.987 68.868 -0.713 0.000 0.914 236 T HN 1.491 nan 8.240 nan 0.000 0.539 237 G N 1.188 109.949 108.800 -0.065 0.000 2.740 237 G HA2 0.510 4.478 3.960 0.013 0.000 0.296 237 G HA3 0.510 4.478 3.960 0.013 0.000 0.296 237 G C 0.097 175.015 174.900 0.030 0.000 1.439 237 G CA -0.140 44.971 45.100 0.018 0.000 1.066 237 G HN 1.071 nan 8.290 nan 0.000 0.527 238 S N -0.889 114.840 115.700 0.047 0.000 2.105 238 S HA -0.210 4.267 4.470 0.013 0.000 0.242 238 S C 0.615 175.280 174.600 0.108 0.000 1.128 238 S CA 2.785 61.033 58.200 0.081 0.000 1.482 238 S CB -1.351 61.910 63.200 0.103 0.000 1.865 238 S HN 2.177 nan 8.310 nan 0.000 0.577 239 T N 0.343 114.961 114.554 0.107 0.000 2.717 239 T HA 0.359 4.717 4.350 0.013 0.000 0.315 239 T C -2.355 172.397 174.700 0.085 0.000 1.746 239 T CA -0.519 61.639 62.100 0.096 0.000 1.001 239 T CB 1.189 70.127 68.868 0.117 0.000 1.673 239 T HN 0.117 nan 8.240 nan 0.000 0.498 240 E N 1.716 121.955 120.200 0.065 0.000 2.383 240 E HA 0.279 4.636 4.350 0.013 0.000 0.264 240 E C -0.006 176.635 176.600 0.069 0.000 1.050 240 E CA -0.380 56.053 56.400 0.054 0.000 0.896 240 E CB 0.604 30.328 29.700 0.040 0.000 0.982 240 E HN 0.428 nan 8.360 nan 0.000 0.424 241 I N 2.517 123.123 120.570 0.059 0.000 2.342 241 I HA 0.077 4.255 4.170 0.013 0.000 0.291 241 I C 0.586 176.731 176.117 0.046 0.000 1.010 241 I CA -0.378 60.961 61.300 0.064 0.000 1.308 241 I CB 0.664 38.693 38.000 0.047 0.000 1.400 241 I HN 0.369 nan 8.210 nan 0.000 0.488 242 D N 5.964 126.393 120.400 0.048 0.000 2.210 242 D HA 0.149 4.797 4.640 0.013 0.000 0.249 242 D C 1.028 177.348 176.300 0.035 0.000 1.062 242 D CA -0.443 53.580 54.000 0.039 0.000 0.891 242 D CB 1.594 42.419 40.800 0.041 0.000 1.186 242 D HN 0.444 nan 8.370 nan 0.000 0.432 243 R N 2.643 123.161 120.500 0.030 0.000 2.241 243 R HA -0.011 4.336 4.340 0.013 0.000 0.224 243 R C 1.664 177.984 176.300 0.034 0.000 1.101 243 R CA 1.016 57.131 56.100 0.025 0.000 0.995 243 R CB -0.599 29.714 30.300 0.022 0.000 0.870 243 R HN 0.424 nan 8.270 nan 0.000 0.463 244 L N 0.513 121.764 121.223 0.047 0.000 2.558 244 L HA 0.167 4.515 4.340 0.013 0.000 0.225 244 L C 0.061 176.964 176.870 0.054 0.000 1.128 244 L CA -0.189 54.686 54.840 0.059 0.000 0.868 244 L CB -0.104 42.002 42.059 0.078 0.000 1.006 244 L HN 0.056 nan 8.230 nan 0.000 0.454 245 S N 0.916 116.645 115.700 0.048 0.000 2.537 245 S HA 0.068 4.546 4.470 0.013 0.000 0.286 245 S C 0.188 174.817 174.600 0.049 0.000 1.299 245 S CA 0.207 58.439 58.200 0.053 0.000 1.067 245 S CB 0.613 63.849 63.200 0.060 0.000 0.864 245 S HN 0.245 nan 8.310 nan 0.000 0.494 246 D N 2.379 122.819 120.400 0.066 0.000 3.449 246 D HA 0.108 4.755 4.640 0.013 0.000 0.262 246 D C -1.068 175.294 176.300 0.103 0.000 1.343 246 D CA -0.303 53.744 54.000 0.078 0.000 0.787 246 D CB 0.106 40.962 40.800 0.094 0.000 1.412 246 D HN 0.230 nan 8.370 nan 0.000 0.652 247 V N 1.585 121.565 119.914 0.110 0.000 2.461 247 V HA 0.289 4.417 4.120 0.013 0.000 0.275 247 V C 0.391 176.569 176.094 0.140 0.000 1.047 247 V CA -0.521 61.854 62.300 0.125 0.000 0.955 247 V CB 1.379 33.278 31.823 0.128 0.000 0.988 247 V HN 0.362 nan 8.190 nan 0.000 0.471 248 D N 3.808 124.290 120.400 0.137 0.000 2.339 248 D HA 0.127 4.774 4.640 0.013 0.000 0.241 248 D C 1.126 177.521 176.300 0.158 0.000 1.183 248 D CA -0.171 53.904 54.000 0.125 0.000 0.859 248 D CB 1.503 42.345 40.800 0.070 0.000 1.067 248 D HN 0.679 nan 8.370 nan 0.000 0.484 249 T N 0.055 114.709 114.554 0.167 0.000 3.188 249 T HA 0.080 4.438 4.350 0.013 0.000 0.250 249 T C 0.634 175.442 174.700 0.180 0.000 1.077 249 T CA -0.427 61.788 62.100 0.193 0.000 0.967 249 T CB -0.498 68.489 68.868 0.199 0.000 1.006 249 T HN 0.237 nan 8.240 nan 0.000 0.552 250 T N 5.087 119.724 114.554 0.138 0.000 2.829 250 T HA 0.245 4.602 4.350 0.013 0.000 0.293 250 T C -2.413 172.364 174.700 0.127 0.000 0.970 250 T CA -0.627 61.535 62.100 0.103 0.000 1.168 250 T CB 0.563 69.454 68.868 0.040 0.000 0.911 250 T HN 0.247 nan 8.240 nan 0.000 0.535 251 P HA 0.377 nan 4.420 nan 0.000 0.277 251 P C -0.985 176.422 177.300 0.179 0.000 1.240 251 P CA -0.514 62.701 63.100 0.192 0.000 0.798 251 P CB 0.697 32.480 31.700 0.139 0.000 0.979 252 V N 3.070 123.164 119.914 0.299 0.000 2.540 252 V HA 0.298 4.425 4.120 0.013 0.000 0.302 252 V C -0.201 176.086 176.094 0.323 0.000 1.035 252 V CA -0.655 61.803 62.300 0.263 0.000 0.873 252 V CB 2.254 34.233 31.823 0.261 0.000 0.992 252 V HN 0.188 nan 8.190 nan 0.000 0.428 253 V N 5.650 125.689 119.914 0.209 0.000 2.347 253 V HA 0.557 4.685 4.120 0.013 0.000 0.280 253 V C -0.368 175.850 176.094 0.206 0.000 1.021 253 V CA -0.417 61.992 62.300 0.182 0.000 0.847 253 V CB 1.753 33.639 31.823 0.104 0.000 0.990 253 V HN 0.615 nan 8.190 nan 0.000 0.444 254 V N 4.810 124.892 119.914 0.281 0.000 2.577 254 V HA 0.462 4.589 4.120 0.013 0.000 0.303 254 V C -0.047 176.185 176.094 0.230 0.000 1.042 254 V CA -1.087 61.376 62.300 0.271 0.000 0.872 254 V CB 1.870 33.899 31.823 0.343 0.000 0.998 254 V HN 0.949 nan 8.190 nan 0.000 0.423 255 N N 4.033 122.846 118.700 0.189 0.000 2.666 255 N HA -0.218 4.529 4.740 0.013 0.000 0.274 255 N C 1.267 176.854 175.510 0.127 0.000 1.043 255 N CA 1.509 54.657 53.050 0.164 0.000 0.782 255 N CB -0.707 37.863 38.487 0.139 0.000 0.912 255 N HN 1.579 nan 8.380 nan 0.000 0.556 256 G N -2.369 106.520 108.800 0.149 0.000 2.189 256 G HA2 -0.321 3.646 3.960 0.013 0.000 0.267 256 G HA3 -0.321 3.646 3.960 0.013 0.000 0.267 256 G C 0.051 174.944 174.900 -0.012 0.000 0.975 256 G CA 0.585 45.733 45.100 0.079 0.000 0.644 256 G HN 0.582 nan 8.290 nan 0.000 0.537 257 V N 0.297 120.173 119.914 -0.063 0.000 2.604 257 V HA 0.648 4.775 4.120 0.013 0.000 0.305 257 V C 0.353 176.214 176.094 -0.387 0.000 1.043 257 V CA -0.931 61.173 62.300 -0.325 0.000 0.888 257 V CB 2.146 33.639 31.823 -0.551 0.000 0.995 257 V HN 0.212 nan 8.190 nan 0.000 0.429 258 V N 4.759 124.432 119.914 -0.402 0.000 2.407 258 V HA 0.471 4.599 4.120 0.013 0.000 0.278 258 V C -0.599 175.231 176.094 -0.440 0.000 1.037 258 V CA -0.290 61.880 62.300 -0.218 0.000 0.900 258 V CB 1.074 32.905 31.823 0.013 0.000 0.983 258 V HN 0.638 nan 8.190 nan 0.000 0.459 259 F N 3.186 123.160 119.950 0.040 0.000 2.436 259 F HA 0.793 5.327 4.527 0.012 0.000 0.340 259 F C 0.427 176.285 175.800 0.096 0.000 1.113 259 F CA -0.389 57.594 58.000 -0.028 0.000 1.022 259 F CB 1.821 40.832 39.000 0.019 0.000 1.128 259 F HN 0.565 nan 8.300 nan 0.000 0.466 260 A N 4.065 126.957 122.820 0.121 0.000 2.517 260 A HA 0.691 5.018 4.320 0.013 0.000 0.297 260 A C -1.361 176.281 177.584 0.097 0.000 1.050 260 A CA -0.707 51.442 52.037 0.187 0.000 0.694 260 A CB 1.080 20.165 19.000 0.141 0.000 1.277 260 A HN 0.729 nan 8.150 nan 0.000 0.400 261 L N 2.217 123.557 121.223 0.194 0.000 2.331 261 L HA 0.512 4.859 4.340 0.013 0.000 0.278 261 L C 0.993 177.928 176.870 0.108 0.000 1.106 261 L CA -0.286 54.630 54.840 0.126 0.000 0.824 261 L CB 1.312 43.496 42.059 0.207 0.000 1.142 261 L HN 0.897 nan 8.230 nan 0.000 0.443 262 A N 2.897 125.742 122.820 0.042 0.000 2.287 262 A HA 0.192 4.520 4.320 0.013 0.000 0.273 262 A C 0.567 178.150 177.584 -0.001 0.000 1.091 262 A CA -0.313 51.746 52.037 0.036 0.000 0.817 262 A CB 0.175 19.142 19.000 -0.055 0.000 1.069 262 A HN 0.798 nan 8.150 nan 0.000 0.492 263 Y N 0.616 120.956 120.300 0.066 0.000 2.403 263 Y HA -0.168 4.390 4.550 0.012 0.000 0.291 263 Y C 1.439 177.369 175.900 0.049 0.000 1.143 263 Y CA 1.412 59.548 58.100 0.060 0.000 1.257 263 Y CB -0.763 37.729 38.460 0.052 0.000 0.984 263 Y HN 0.628 nan 8.280 nan 0.000 0.550 264 N N 0.369 118.520 118.700 -0.916 0.000 2.521 264 N HA 0.121 4.869 4.740 0.013 0.000 0.188 264 N C 1.460 176.843 175.510 -0.212 0.000 1.146 264 N CA 0.753 53.467 53.050 -0.561 0.000 0.893 264 N CB -0.091 38.037 38.487 -0.600 0.000 0.975 264 N HN 0.606 nan 8.380 nan 0.000 0.451 265 G N -0.992 107.729 108.800 -0.132 0.000 2.176 265 G HA2 -0.259 3.708 3.960 0.013 0.000 0.232 265 G HA3 -0.259 3.708 3.960 0.013 0.000 0.232 265 G C -0.575 174.302 174.900 -0.037 0.000 0.986 265 G CA -0.243 44.831 45.100 -0.044 0.000 0.643 265 G HN 0.436 nan 8.290 nan 0.000 0.522 266 N N 0.213 118.876 118.700 -0.061 0.000 2.479 266 N HA 0.561 5.309 4.740 0.013 0.000 0.285 266 N C -0.081 175.419 175.510 -0.016 0.000 1.075 266 N CA -0.515 52.515 53.050 -0.033 0.000 0.967 266 N CB 1.706 40.169 38.487 -0.039 0.000 1.137 266 N HN 0.305 nan 8.380 nan 0.000 0.472 267 L N 1.745 122.968 121.223 0.001 0.000 2.349 267 L HA 0.454 4.802 4.340 0.013 0.000 0.275 267 L C -0.264 176.624 176.870 0.030 0.000 1.115 267 L CA 0.351 55.180 54.840 -0.019 0.000 0.820 267 L CB 0.490 42.532 42.059 -0.029 0.000 1.135 267 L HN 0.514 nan 8.230 nan 0.000 0.445 268 T N 4.111 118.606 114.554 -0.098 0.000 2.900 268 T HA 0.830 5.187 4.350 0.013 0.000 0.295 268 T C -0.889 173.507 174.700 -0.506 0.000 1.044 268 T CA -0.388 61.570 62.100 -0.237 0.000 0.995 268 T CB 1.678 70.459 68.868 -0.146 0.000 1.072 268 T HN 0.831 nan 8.240 nan 0.000 0.473 269 A N 2.580 124.822 122.820 -0.963 0.000 2.318 269 A HA 0.801 5.128 4.320 0.013 0.000 0.317 269 A C -1.340 175.780 177.584 -0.773 0.000 1.159 269 A CA -0.569 50.789 52.037 -1.131 0.000 0.799 269 A CB 0.325 18.170 19.000 -1.926 0.000 1.194 269 A HN 0.560 nan 8.150 nan 0.000 0.479 270 L N 1.411 122.276 121.223 -0.597 0.000 2.342 270 L HA 0.439 4.787 4.340 0.013 0.000 0.271 270 L C -0.028 176.592 176.870 -0.417 0.000 1.008 270 L CA -0.487 54.080 54.840 -0.456 0.000 0.818 270 L CB 1.754 43.589 42.059 -0.374 0.000 1.296 270 L HN 0.822 nan 8.230 nan 0.000 0.427 271 D N 1.005 121.175 120.400 -0.383 0.000 2.401 271 D HA 0.050 4.697 4.640 0.013 0.000 0.254 271 D C 1.058 177.192 176.300 -0.276 0.000 1.192 271 D CA -0.089 53.735 54.000 -0.294 0.000 0.885 271 D CB 0.808 41.456 40.800 -0.253 0.000 1.147 271 D HN 0.458 nan 8.370 nan 0.000 0.478 272 L N 4.571 125.735 121.223 -0.099 0.000 2.127 272 L HA -0.094 4.253 4.340 0.013 0.000 0.211 272 L C 2.151 179.137 176.870 0.194 0.000 1.089 272 L CA 1.625 56.533 54.840 0.114 0.000 0.757 272 L CB -0.393 41.762 42.059 0.160 0.000 0.899 272 L HN 0.564 nan 8.230 nan 0.000 0.434 273 R N -0.857 119.655 120.500 0.021 0.000 2.057 273 R HA -0.081 4.266 4.340 0.013 0.000 0.229 273 R C 2.087 178.360 176.300 -0.046 0.000 1.136 273 R CA 1.661 57.787 56.100 0.043 0.000 0.952 273 R CB -0.136 30.148 30.300 -0.028 0.000 0.848 273 R HN 0.626 nan 8.270 nan 0.000 0.430 274 S N -2.123 113.368 115.700 -0.349 0.000 2.523 274 S HA 0.179 4.657 4.470 0.013 0.000 0.217 274 S C 1.187 175.067 174.600 -1.200 0.000 0.996 274 S CA 0.378 58.267 58.200 -0.517 0.000 0.921 274 S CB 1.193 64.206 63.200 -0.312 0.000 0.829 274 S HN 0.559 nan 8.310 nan 0.000 0.495 275 G N 1.358 109.078 108.800 -1.801 0.000 2.189 275 G HA2 -0.349 3.619 3.960 0.013 0.000 0.267 275 G HA3 -0.349 3.619 3.960 0.013 0.000 0.267 275 G C -0.073 174.265 174.900 -0.937 0.000 0.975 275 G CA 0.500 44.270 45.100 -2.217 0.000 0.644 275 G HN 0.744 nan 8.290 nan 0.000 0.537 276 Q N 0.100 119.530 119.800 -0.617 0.000 2.337 276 Q HA 0.413 4.761 4.340 0.013 0.000 0.270 276 Q C 0.744 176.551 176.000 -0.323 0.000 1.002 276 Q CA -0.534 55.048 55.803 -0.368 0.000 0.888 276 Q CB 0.252 28.828 28.738 -0.269 0.000 1.222 276 Q HN 0.465 nan 8.270 nan 0.000 0.400 277 I N 5.500 125.923 120.570 -0.245 0.000 2.662 277 I HA -0.188 3.989 4.170 0.013 0.000 0.285 277 I C 1.203 177.196 176.117 -0.206 0.000 1.161 277 I CA 0.296 61.460 61.300 -0.227 0.000 1.415 277 I CB 0.486 38.398 38.000 -0.146 0.000 1.385 277 I HN 0.802 nan 8.210 nan 0.000 0.552 278 M N 6.775 126.202 119.600 -0.289 0.000 2.191 278 M HA 0.056 4.544 4.480 0.013 0.000 0.262 278 M C 0.310 176.590 176.300 -0.033 0.000 1.083 278 M CA 1.565 56.740 55.300 -0.209 0.000 1.154 278 M CB 0.054 32.446 32.600 -0.347 0.000 1.344 278 M HN 0.623 nan 8.290 nan 0.000 0.431 279 W N -1.560 119.694 121.300 -0.076 0.000 3.005 279 W HA 0.630 5.297 4.660 0.012 0.000 0.343 279 W C -1.767 174.719 176.519 -0.054 0.000 1.243 279 W CA -0.956 56.355 57.345 -0.057 0.000 1.186 279 W CB 1.210 30.644 29.460 -0.044 0.000 1.453 279 W HN -0.247 nan 8.180 nan 0.000 0.575 280 K N 1.745 122.403 120.400 0.430 0.000 2.601 280 K HA 0.309 4.636 4.320 0.013 0.000 0.249 280 K C -0.733 176.018 176.600 0.253 0.000 0.966 280 K CA -0.721 55.725 56.287 0.266 0.000 0.827 280 K CB 1.626 34.184 32.500 0.097 0.000 1.178 280 K HN 0.313 nan 8.250 nan 0.000 0.437 281 R N 3.246 123.900 120.500 0.256 0.000 2.287 281 R HA 0.104 4.452 4.340 0.013 0.000 0.327 281 R C -0.492 175.833 176.300 0.041 0.000 1.109 281 R CA -0.191 55.968 56.100 0.099 0.000 1.013 281 R CB 0.742 31.079 30.300 0.062 0.000 1.126 281 R HN 0.674 nan 8.270 nan 0.000 0.503 282 E N 3.523 123.734 120.200 0.017 0.000 2.975 282 E HA -0.058 4.299 4.350 0.013 0.000 0.301 282 E C 1.031 177.621 176.600 -0.017 0.000 1.554 282 E CA -0.041 56.357 56.400 -0.004 0.000 1.716 282 E CB 0.006 29.703 29.700 -0.005 0.000 1.365 282 E HN 0.421 nan 8.360 nan 0.000 0.469 283 L N 0.180 121.392 121.223 -0.018 0.000 2.017 283 L HA -0.150 4.198 4.340 0.013 0.000 0.208 283 L C 1.814 178.670 176.870 -0.023 0.000 1.073 283 L CA 1.623 56.449 54.840 -0.024 0.000 0.745 283 L CB -0.221 41.822 42.059 -0.027 0.000 0.894 283 L HN 0.631 nan 8.230 nan 0.000 0.432 284 G N -1.700 107.083 108.800 -0.029 0.000 2.179 284 G HA2 -0.324 3.643 3.960 0.013 0.000 0.260 284 G HA3 -0.324 3.643 3.960 0.013 0.000 0.260 284 G C 0.759 175.644 174.900 -0.025 0.000 0.977 284 G CA 0.656 45.733 45.100 -0.038 0.000 0.641 284 G HN 0.494 nan 8.290 nan 0.000 0.533 285 S N -1.980 113.711 115.700 -0.014 0.000 2.817 285 S HA 0.508 4.986 4.470 0.013 0.000 0.262 285 S C 0.434 175.040 174.600 0.011 0.000 1.051 285 S CA 0.677 58.876 58.200 -0.001 0.000 1.185 285 S CB 0.979 64.176 63.200 -0.004 0.000 1.152 285 S HN 1.659 nan 8.310 nan 0.000 0.653 286 V N 2.299 122.222 119.914 0.016 0.000 2.461 286 V HA 0.438 4.565 4.120 0.013 0.000 0.275 286 V C 0.489 176.627 176.094 0.074 0.000 1.047 286 V CA -0.127 62.199 62.300 0.043 0.000 0.955 286 V CB 0.757 32.607 31.823 0.045 0.000 0.988 286 V HN 0.451 nan 8.190 nan 0.000 0.471 287 N N 3.538 122.288 118.700 0.082 0.000 2.349 287 N HA 0.133 4.881 4.740 0.013 0.000 0.180 287 N C -0.352 175.232 175.510 0.123 0.000 1.024 287 N CA 0.443 53.550 53.050 0.096 0.000 0.869 287 N CB 0.324 38.858 38.487 0.078 0.000 1.022 287 N HN 0.757 nan 8.380 nan 0.000 0.433 288 D N -0.564 119.913 120.400 0.128 0.000 2.645 288 D HA 0.316 4.963 4.640 0.013 0.000 0.228 288 D C -1.314 175.108 176.300 0.203 0.000 1.148 288 D CA -0.395 53.675 54.000 0.116 0.000 0.860 288 D CB 2.510 43.332 40.800 0.037 0.000 1.548 288 D HN -0.003 nan 8.370 nan 0.000 0.460 289 F N -0.520 119.443 119.950 0.022 0.000 2.662 289 F HA 0.713 5.248 4.527 0.014 0.000 0.312 289 F C -1.598 174.210 175.800 0.014 0.000 1.113 289 F CA -1.099 56.908 58.000 0.011 0.000 0.951 289 F CB 1.074 40.065 39.000 -0.014 0.000 1.344 289 F HN 0.279 nan 8.300 nan 0.000 0.462 290 I N 0.010 120.588 120.570 0.014 0.000 2.969 290 I HA 0.863 5.040 4.170 0.013 0.000 0.307 290 I C -1.580 174.596 176.117 0.098 0.000 1.149 290 I CA -1.508 59.749 61.300 -0.072 0.000 1.008 290 I CB 2.117 40.130 38.000 0.021 0.000 1.232 290 I HN 0.537 nan 8.210 nan 0.000 0.435 291 V N 1.984 121.921 119.914 0.038 0.000 2.547 291 V HA 0.552 4.679 4.120 0.013 0.000 0.299 291 V C -1.069 175.048 176.094 0.039 0.000 1.040 291 V CA -0.091 62.201 62.300 -0.013 0.000 0.913 291 V CB 1.582 33.380 31.823 -0.042 0.000 0.992 291 V HN 0.886 nan 8.190 nan 0.000 0.449 292 D N 1.798 122.212 120.400 0.024 0.000 2.591 292 D HA 0.537 5.184 4.640 0.013 0.000 0.222 292 D C 0.343 176.685 176.300 0.069 0.000 1.360 292 D CA 1.001 55.056 54.000 0.091 0.000 0.967 292 D CB 1.220 42.128 40.800 0.180 0.000 1.456 292 D HN 0.910 nan 8.370 nan 0.000 0.588 293 G N 4.077 112.910 108.800 0.056 0.000 2.866 293 G HA2 -0.280 3.687 3.960 0.013 0.000 0.274 293 G HA3 -0.280 3.687 3.960 0.013 0.000 0.274 293 G C 0.300 175.217 174.900 0.028 0.000 1.413 293 G CA 0.302 45.435 45.100 0.055 0.000 0.997 293 G HN 0.949 nan 8.290 nan 0.000 0.559 294 N N 0.882 119.586 118.700 0.006 0.000 2.416 294 N HA 0.410 5.158 4.740 0.013 0.000 0.267 294 N C 0.104 175.555 175.510 -0.099 0.000 1.294 294 N CA -0.126 52.912 53.050 -0.019 0.000 0.891 294 N CB 0.566 39.057 38.487 0.007 0.000 1.238 294 N HN 0.561 nan 8.380 nan 0.000 0.508 295 R N 0.207 120.592 120.500 -0.190 0.000 2.698 295 R HA 0.523 4.871 4.340 0.013 0.000 0.275 295 R C -0.854 175.107 176.300 -0.564 0.000 1.001 295 R CA -0.491 55.351 56.100 -0.430 0.000 0.896 295 R CB 1.770 31.688 30.300 -0.637 0.000 1.218 295 R HN 0.144 nan 8.270 nan 0.000 0.462 296 I N 2.705 122.900 120.570 -0.624 0.000 2.433 296 I HA 0.399 4.577 4.170 0.013 0.000 0.292 296 I C -0.849 174.895 176.117 -0.621 0.000 1.001 296 I CA -0.866 60.133 61.300 -0.502 0.000 1.119 296 I CB 1.336 39.117 38.000 -0.365 0.000 1.289 296 I HN 0.357 nan 8.210 nan 0.000 0.438 297 Y N 6.504 126.782 120.300 -0.037 0.000 2.377 297 Y HA 0.702 5.260 4.550 0.012 0.000 0.339 297 Y C -0.258 175.645 175.900 0.005 0.000 1.011 297 Y CA -1.007 57.053 58.100 -0.067 0.000 1.093 297 Y CB 1.673 40.126 38.460 -0.012 0.000 1.201 297 Y HN 0.342 nan 8.280 nan 0.000 0.455 298 L N -0.057 121.231 121.223 0.109 0.000 2.491 298 L HA 0.980 5.328 4.340 0.013 0.000 0.254 298 L C -1.693 175.222 176.870 0.075 0.000 1.048 298 L CA -1.217 53.693 54.840 0.116 0.000 0.855 298 L CB 1.690 43.810 42.059 0.102 0.000 1.466 298 L HN 0.247 nan 8.230 nan 0.000 0.409 299 V N 1.586 121.547 119.914 0.079 0.000 2.483 299 V HA 0.516 4.644 4.120 0.013 0.000 0.297 299 V C -0.839 175.281 176.094 0.043 0.000 1.027 299 V CA -0.251 62.081 62.300 0.054 0.000 0.855 299 V CB 1.416 33.270 31.823 0.051 0.000 0.995 299 V HN 1.067 nan 8.190 nan 0.000 0.424 300 D N 2.970 123.382 120.400 0.020 0.000 2.451 300 D HA 0.191 4.838 4.640 0.013 0.000 0.259 300 D C 0.889 177.193 176.300 0.007 0.000 1.201 300 D CA -0.415 53.593 54.000 0.012 0.000 1.028 300 D CB 0.923 41.720 40.800 -0.004 0.000 1.095 300 D HN 0.389 nan 8.370 nan 0.000 0.539 301 Q N -0.948 118.857 119.800 0.009 0.000 2.170 301 Q HA -0.107 4.241 4.340 0.013 0.000 0.203 301 Q C 1.157 177.152 176.000 -0.010 0.000 0.976 301 Q CA 1.434 57.247 55.803 0.017 0.000 0.858 301 Q CB -0.271 28.484 28.738 0.029 0.000 0.907 301 Q HN 0.531 nan 8.270 nan 0.000 0.433 302 N N 0.304 118.963 118.700 -0.068 0.000 2.521 302 N HA -0.066 4.681 4.740 0.013 0.000 0.188 302 N C -0.668 174.675 175.510 -0.279 0.000 1.146 302 N CA 0.474 53.379 53.050 -0.242 0.000 0.893 302 N CB 0.496 38.825 38.487 -0.262 0.000 0.975 302 N HN 0.108 nan 8.380 nan 0.000 0.451 303 D N -0.440 119.892 120.400 -0.113 0.000 3.099 303 D HA -0.193 4.455 4.640 0.013 0.000 0.213 303 D C 0.023 176.293 176.300 -0.050 0.000 1.121 303 D CA 0.548 54.508 54.000 -0.066 0.000 0.951 303 D CB -0.983 39.782 40.800 -0.059 0.000 1.102 303 D HN 0.449 nan 8.370 nan 0.000 0.423 304 R N 1.027 121.495 120.500 -0.053 0.000 2.537 304 R HA 0.323 4.670 4.340 0.013 0.000 0.280 304 R C -0.279 176.035 176.300 0.024 0.000 1.058 304 R CA 0.030 56.124 56.100 -0.010 0.000 1.057 304 R CB 0.797 31.085 30.300 -0.019 0.000 0.973 304 R HN -0.121 nan 8.270 nan 0.000 0.438 305 V N 5.995 125.952 119.914 0.072 0.000 2.850 305 V HA 0.585 4.713 4.120 0.013 0.000 0.315 305 V C 0.051 176.211 176.094 0.110 0.000 1.064 305 V CA -0.783 61.584 62.300 0.112 0.000 0.979 305 V CB 1.722 33.660 31.823 0.193 0.000 1.039 305 V HN 0.935 nan 8.190 nan 0.000 0.452 306 M N 2.876 122.437 119.600 -0.066 0.000 2.449 306 M HA 0.736 5.224 4.480 0.013 0.000 0.291 306 M C -1.896 174.019 176.300 -0.642 0.000 1.148 306 M CA -0.391 54.681 55.300 -0.380 0.000 0.925 306 M CB 1.792 34.281 32.600 -0.185 0.000 1.767 306 M HN 0.790 nan 8.290 nan 0.000 0.503 307 A N 4.763 126.858 122.820 -1.209 0.000 2.340 307 A HA 0.954 5.281 4.320 0.013 0.000 0.331 307 A C -1.500 175.705 177.584 -0.631 0.000 1.140 307 A CA -0.698 50.805 52.037 -0.891 0.000 0.801 307 A CB 1.135 19.484 19.000 -1.085 0.000 1.234 307 A HN 0.865 nan 8.150 nan 0.000 0.469 308 L N 0.215 121.143 121.223 -0.492 0.000 2.341 308 L HA 0.632 4.980 4.340 0.013 0.000 0.254 308 L C 0.377 177.057 176.870 -0.317 0.000 1.040 308 L CA -1.029 53.594 54.840 -0.360 0.000 0.837 308 L CB 2.232 44.108 42.059 -0.304 0.000 1.425 308 L HN 0.787 nan 8.230 nan 0.000 0.414 309 T N -2.226 112.184 114.554 -0.241 0.000 2.907 309 T HA 0.277 4.635 4.350 0.013 0.000 0.298 309 T C 0.984 175.600 174.700 -0.140 0.000 1.017 309 T CA -0.422 61.572 62.100 -0.176 0.000 1.118 309 T CB 1.397 70.183 68.868 -0.136 0.000 0.948 309 T HN 0.629 nan 8.240 nan 0.000 0.531 310 I N 0.713 121.229 120.570 -0.091 0.000 2.315 310 I HA -0.113 4.065 4.170 0.013 0.000 0.248 310 I C 1.454 177.713 176.117 0.235 0.000 1.117 310 I CA 1.477 62.768 61.300 -0.015 0.000 1.404 310 I CB 0.016 38.003 38.000 -0.022 0.000 1.071 310 I HN 0.681 nan 8.210 nan 0.000 0.419 311 D N 0.209 120.711 120.400 0.170 0.000 2.137 311 D HA -0.033 4.615 4.640 0.013 0.000 0.202 311 D C 1.848 178.339 176.300 0.319 0.000 0.970 311 D CA 1.557 55.714 54.000 0.261 0.000 0.837 311 D CB -0.049 40.830 40.800 0.131 0.000 0.981 311 D HN 0.487 nan 8.370 nan 0.000 0.475 312 G N -1.187 107.596 108.800 -0.029 0.000 2.944 312 G HA2 0.323 4.291 3.960 0.013 0.000 0.223 312 G HA3 0.323 4.291 3.960 0.013 0.000 0.223 312 G C 0.998 175.299 174.900 -0.998 0.000 1.071 312 G CA 0.368 45.179 45.100 -0.481 0.000 0.806 312 G HN 0.380 nan 8.290 nan 0.000 0.538 313 G N -0.046 108.404 108.800 -0.582 0.000 2.314 313 G HA2 0.007 3.974 3.960 0.013 0.000 0.292 313 G HA3 0.007 3.974 3.960 0.013 0.000 0.292 313 G C 0.231 174.835 174.900 -0.493 0.000 1.059 313 G CA 0.455 45.194 45.100 -0.602 0.000 0.982 313 G HN 1.538 nan 8.290 nan 0.000 0.505 314 V N -0.569 119.131 119.914 -0.357 0.000 2.472 314 V HA 0.826 4.953 4.120 0.013 0.000 0.290 314 V C 0.651 176.611 176.094 -0.224 0.000 1.037 314 V CA 0.061 62.201 62.300 -0.267 0.000 0.908 314 V CB 1.617 33.309 31.823 -0.219 0.000 0.985 314 V HN 0.436 nan 8.190 nan 0.000 0.454 315 T N 7.499 121.936 114.554 -0.196 0.000 2.870 315 T HA 0.340 4.697 4.350 0.013 0.000 0.300 315 T C 1.005 175.610 174.700 -0.158 0.000 0.989 315 T CA 0.207 62.189 62.100 -0.197 0.000 1.139 315 T CB 0.984 69.762 68.868 -0.150 0.000 0.920 315 T HN 0.687 nan 8.240 nan 0.000 0.537 316 L N 1.928 123.028 121.223 -0.204 0.000 2.388 316 L HA 0.405 4.753 4.340 0.013 0.000 0.209 316 L C 0.624 177.530 176.870 0.060 0.000 1.061 316 L CA 0.029 54.817 54.840 -0.087 0.000 0.834 316 L CB 0.251 42.252 42.059 -0.096 0.000 1.029 316 L HN 0.708 nan 8.230 nan 0.000 0.473 317 W N -2.469 118.819 121.300 -0.020 0.000 3.074 317 W HA 0.620 5.287 4.660 0.012 0.000 0.332 317 W C -1.365 175.141 176.519 -0.023 0.000 1.253 317 W CA -0.687 56.645 57.345 -0.021 0.000 1.180 317 W CB 1.318 30.767 29.460 -0.018 0.000 1.445 317 W HN -0.461 nan 8.180 nan 0.000 0.573 318 T N 1.797 116.641 114.554 0.484 0.000 2.912 318 T HA 0.340 4.697 4.350 0.013 0.000 0.299 318 T C -1.554 173.347 174.700 0.336 0.000 1.052 318 T CA -0.309 61.981 62.100 0.315 0.000 0.996 318 T CB 2.196 71.138 68.868 0.124 0.000 1.070 318 T HN 0.430 nan 8.240 nan 0.000 0.465 319 Q N 1.721 121.683 119.800 0.269 0.000 2.337 319 Q HA 0.526 4.873 4.340 0.013 0.000 0.260 319 Q C -0.613 175.421 176.000 0.056 0.000 0.982 319 Q CA -0.335 55.521 55.803 0.088 0.000 0.734 319 Q CB 1.042 29.779 28.738 -0.003 0.000 1.272 319 Q HN 0.498 nan 8.270 nan 0.000 0.461 320 S N 2.877 118.597 115.700 0.034 0.000 2.593 320 S HA 0.093 4.570 4.470 0.013 0.000 0.236 320 S C 0.235 174.865 174.600 0.051 0.000 0.991 320 S CA -0.274 57.946 58.200 0.032 0.000 0.963 320 S CB 0.340 63.553 63.200 0.022 0.000 0.865 320 S HN 0.620 nan 8.310 nan 0.000 0.488 321 D N 2.177 122.635 120.400 0.096 0.000 2.219 321 D HA 0.039 4.686 4.640 0.013 0.000 0.205 321 D C 1.386 177.754 176.300 0.113 0.000 0.970 321 D CA 0.769 54.860 54.000 0.152 0.000 0.851 321 D CB -0.044 40.949 40.800 0.321 0.000 0.943 321 D HN 0.381 nan 8.370 nan 0.000 0.488 322 L N 0.289 121.568 121.223 0.094 0.000 2.599 322 L HA 0.062 4.409 4.340 0.013 0.000 0.230 322 L C 0.434 177.297 176.870 -0.011 0.000 1.141 322 L CA -0.472 54.362 54.840 -0.011 0.000 0.877 322 L CB -0.155 41.846 42.059 -0.096 0.000 1.009 322 L HN -0.036 nan 8.230 nan 0.000 0.447 323 L N 1.594 122.810 121.223 -0.012 0.000 2.776 323 L HA -0.204 4.143 4.340 0.013 0.000 0.283 323 L C 1.009 177.878 176.870 -0.001 0.000 1.194 323 L CA 1.242 56.028 54.840 -0.091 0.000 0.947 323 L CB -0.692 41.327 42.059 -0.066 0.000 1.255 323 L HN 0.307 nan 8.230 nan 0.000 0.481 324 H N 1.658 120.744 119.070 0.027 0.000 3.642 324 H HA -0.164 4.399 4.556 0.013 0.000 0.185 324 H C 0.924 176.271 175.328 0.032 0.000 0.992 324 H CA 1.111 57.176 56.048 0.029 0.000 1.216 324 H CB -0.750 29.027 29.762 0.025 0.000 1.055 324 H HN 0.644 nan 8.280 nan 0.000 0.351 325 R N 0.301 120.871 120.500 0.116 0.000 2.747 325 R HA 0.493 4.841 4.340 0.013 0.000 0.278 325 R C 0.603 176.960 176.300 0.095 0.000 1.153 325 R CA -0.326 55.831 56.100 0.097 0.000 1.206 325 R CB 0.611 30.951 30.300 0.066 0.000 1.161 325 R HN -0.023 nan 8.270 nan 0.000 0.589 326 L N 2.160 123.447 121.223 0.106 0.000 2.366 326 L HA 0.344 4.692 4.340 0.013 0.000 0.266 326 L C -0.535 176.393 176.870 0.097 0.000 1.010 326 L CA -0.316 54.582 54.840 0.097 0.000 0.879 326 L CB 0.936 43.054 42.059 0.099 0.000 1.228 326 L HN 0.294 nan 8.230 nan 0.000 0.439 327 L N 1.901 123.166 121.223 0.070 0.000 2.439 327 L HA 0.319 4.666 4.340 0.013 0.000 0.269 327 L C 1.189 178.099 176.870 0.066 0.000 1.179 327 L CA -0.248 54.630 54.840 0.063 0.000 0.828 327 L CB 0.897 42.974 42.059 0.030 0.000 1.106 327 L HN 0.596 nan 8.230 nan 0.000 0.467 328 T N -1.026 113.561 114.554 0.056 0.000 2.729 328 T HA 0.244 4.602 4.350 0.013 0.000 0.298 328 T C 0.495 175.200 174.700 0.009 0.000 1.013 328 T CA -0.642 61.478 62.100 0.033 0.000 0.957 328 T CB 1.017 69.879 68.868 -0.010 0.000 1.130 328 T HN 0.691 nan 8.240 nan 0.000 0.526 329 S N 1.083 116.776 115.700 -0.011 0.000 2.600 329 S HA 0.463 4.940 4.470 0.013 0.000 0.265 329 S C -2.478 172.094 174.600 -0.046 0.000 1.325 329 S CA -1.109 57.078 58.200 -0.022 0.000 1.002 329 S CB 0.123 63.298 63.200 -0.040 0.000 0.921 329 S HN 0.778 nan 8.310 nan 0.000 0.554 330 P HA 0.580 nan 4.420 nan 0.000 0.283 330 P C -1.145 176.125 177.300 -0.051 0.000 1.271 330 P CA -0.675 62.404 63.100 -0.035 0.000 0.841 330 P CB 1.517 33.229 31.700 0.019 0.000 1.122 331 V N 1.756 121.631 119.914 -0.066 0.000 3.087 331 V HA 0.375 4.502 4.120 0.013 0.000 0.306 331 V C -1.021 175.062 176.094 -0.018 0.000 1.187 331 V CA -1.098 61.174 62.300 -0.047 0.000 0.999 331 V CB 2.353 34.126 31.823 -0.084 0.000 1.049 331 V HN 0.314 nan 8.190 nan 0.000 0.431 332 L N 5.075 126.318 121.223 0.033 0.000 2.257 332 L HA 0.528 4.876 4.340 0.013 0.000 0.290 332 L C -1.464 175.511 176.870 0.174 0.000 1.044 332 L CA -0.378 54.503 54.840 0.069 0.000 0.810 332 L CB 1.158 43.260 42.059 0.072 0.000 1.193 332 L HN 0.704 nan 8.230 nan 0.000 0.425 333 Y N 4.347 124.661 120.300 0.023 0.000 2.354 333 Y HA 0.298 4.855 4.550 0.011 0.000 0.330 333 Y C 0.150 176.105 175.900 0.093 0.000 1.011 333 Y CA -1.245 56.886 58.100 0.051 0.000 1.099 333 Y CB 1.064 39.555 38.460 0.051 0.000 1.179 333 Y HN 0.606 nan 8.280 nan 0.000 0.442 334 N N 4.216 122.722 118.700 -0.323 0.000 2.725 334 N HA -0.191 4.557 4.740 0.013 0.000 0.251 334 N C 0.988 176.484 175.510 -0.024 0.000 1.031 334 N CA 1.678 54.586 53.050 -0.236 0.000 0.720 334 N CB -1.071 37.213 38.487 -0.338 0.000 0.930 334 N HN 1.374 nan 8.380 nan 0.000 0.543 335 G N -1.315 107.493 108.800 0.014 0.000 2.186 335 G HA2 -0.381 3.586 3.960 0.013 0.000 0.266 335 G HA3 -0.381 3.586 3.960 0.013 0.000 0.266 335 G C 0.131 175.079 174.900 0.080 0.000 0.982 335 G CA 0.958 46.089 45.100 0.052 0.000 0.670 335 G HN 0.666 nan 8.290 nan 0.000 0.533 336 N N -0.953 117.829 118.700 0.137 0.000 2.404 336 N HA 0.694 5.442 4.740 0.013 0.000 0.297 336 N C -0.203 175.359 175.510 0.088 0.000 1.163 336 N CA -0.881 52.270 53.050 0.168 0.000 0.864 336 N CB 1.507 40.228 38.487 0.389 0.000 1.247 336 N HN 0.094 nan 8.380 nan 0.000 0.510 337 L N 1.754 122.982 121.223 0.009 0.000 2.305 337 L HA 0.459 4.806 4.340 0.013 0.000 0.281 337 L C -0.867 175.972 176.870 -0.051 0.000 1.085 337 L CA -0.628 54.175 54.840 -0.062 0.000 0.813 337 L CB 0.962 42.964 42.059 -0.096 0.000 1.157 337 L HN 0.254 nan 8.230 nan 0.000 0.436 338 V N 4.508 124.333 119.914 -0.148 0.000 2.604 338 V HA 0.548 4.676 4.120 0.013 0.000 0.305 338 V C -0.212 175.736 176.094 -0.243 0.000 1.043 338 V CA -0.643 61.441 62.300 -0.360 0.000 0.888 338 V CB 2.154 33.634 31.823 -0.570 0.000 0.995 338 V HN 0.550 nan 8.190 nan 0.000 0.429 339 V N 1.299 121.092 119.914 -0.201 0.000 2.962 339 V HA 1.055 5.182 4.120 0.013 0.000 0.313 339 V C 0.105 176.159 176.094 -0.066 0.000 1.099 339 V CA -0.477 61.756 62.300 -0.112 0.000 0.971 339 V CB 1.773 33.586 31.823 -0.017 0.000 1.028 339 V HN 0.955 nan 8.190 nan 0.000 0.430 340 G N 1.537 110.297 108.800 -0.065 0.000 2.417 340 G HA2 0.726 4.694 3.960 0.013 0.000 0.334 340 G HA3 0.726 4.694 3.960 0.013 0.000 0.334 340 G C -1.329 173.705 174.900 0.222 0.000 1.150 340 G CA -0.227 44.904 45.100 0.053 0.000 0.923 340 G HN 1.118 nan 8.290 nan 0.000 0.485 341 D N -1.805 118.811 120.400 0.360 0.000 2.497 341 D HA 0.385 5.033 4.640 0.013 0.000 0.243 341 D C 1.213 177.663 176.300 0.250 0.000 1.039 341 D CA -0.161 54.004 54.000 0.275 0.000 1.052 341 D CB 1.158 42.127 40.800 0.281 0.000 1.344 341 D HN 0.335 nan 8.370 nan 0.000 0.553 342 S N -1.186 114.611 115.700 0.162 0.000 2.561 342 S HA -0.058 4.420 4.470 0.013 0.000 0.225 342 S C 0.815 175.432 174.600 0.028 0.000 0.977 342 S CA 0.259 58.512 58.200 0.088 0.000 0.926 342 S CB -0.420 62.827 63.200 0.078 0.000 0.769 342 S HN 0.441 nan 8.310 nan 0.000 0.533 343 E N 1.132 121.386 120.200 0.089 0.000 2.481 343 E HA 0.341 4.699 4.350 0.013 0.000 0.195 343 E C 1.438 177.961 176.600 -0.128 0.000 1.047 343 E CA 0.605 57.040 56.400 0.058 0.000 0.867 343 E CB -0.206 29.633 29.700 0.232 0.000 0.858 343 E HN 0.643 nan 8.360 nan 0.000 0.513 344 G N -0.634 108.056 108.800 -0.185 0.000 2.184 344 G HA2 -0.264 3.704 3.960 0.013 0.000 0.206 344 G HA3 -0.264 3.704 3.960 0.013 0.000 0.206 344 G C -0.280 174.439 174.900 -0.302 0.000 0.995 344 G CA -0.389 44.408 45.100 -0.506 0.000 0.651 344 G HN 0.220 nan 8.290 nan 0.000 0.511 345 Y N 0.475 120.803 120.300 0.047 0.000 2.304 345 Y HA 0.654 5.212 4.550 0.013 0.000 0.327 345 Y C 1.219 177.141 175.900 0.036 0.000 1.209 345 Y CA -0.525 57.566 58.100 -0.014 0.000 1.299 345 Y CB 0.780 39.115 38.460 -0.209 0.000 1.249 345 Y HN 0.080 nan 8.280 nan 0.000 0.519 346 L N 3.401 124.656 121.223 0.054 0.000 2.325 346 L HA 0.465 4.813 4.340 0.013 0.000 0.278 346 L C -0.977 175.741 176.870 -0.252 0.000 1.023 346 L CA -0.846 53.886 54.840 -0.179 0.000 0.811 346 L CB 1.243 43.024 42.059 -0.465 0.000 1.249 346 L HN 0.680 nan 8.230 nan 0.000 0.431 347 H N 0.569 119.536 119.070 -0.172 0.000 2.600 347 H HA 0.398 4.961 4.556 0.012 0.000 0.357 347 H C -1.180 174.176 175.328 0.048 0.000 1.106 347 H CA -0.518 55.580 56.048 0.083 0.000 1.193 347 H CB 1.597 31.399 29.762 0.068 0.000 1.594 347 H HN 0.440 nan 8.280 nan 0.000 0.526 348 W N 3.637 125.080 121.300 0.238 0.000 2.469 348 W HA 0.550 5.216 4.660 0.011 0.000 0.320 348 W C -0.609 176.030 176.519 0.200 0.000 1.086 348 W CA -0.497 56.968 57.345 0.199 0.000 1.211 348 W CB 1.549 31.119 29.460 0.184 0.000 1.298 348 W HN 0.335 nan 8.180 nan 0.000 0.525 349 I N 2.820 123.567 120.570 0.296 0.000 2.582 349 I HA 0.118 4.295 4.170 0.013 0.000 0.292 349 I C 0.178 176.298 176.117 0.004 0.000 1.066 349 I CA -0.873 60.485 61.300 0.096 0.000 1.053 349 I CB 2.110 40.126 38.000 0.026 0.000 1.241 349 I HN 0.318 nan 8.210 nan 0.000 0.421 350 N N 4.445 123.072 118.700 -0.122 0.000 2.442 350 N HA 0.083 4.831 4.740 0.013 0.000 0.265 350 N C 0.633 176.037 175.510 -0.176 0.000 1.138 350 N CA 0.031 53.003 53.050 -0.129 0.000 0.956 350 N CB 1.842 40.234 38.487 -0.158 0.000 1.067 350 N HN 0.426 nan 8.380 nan 0.000 0.474 351 V N 4.101 124.005 119.914 -0.017 0.000 2.667 351 V HA -0.132 3.995 4.120 0.013 0.000 0.252 351 V C 1.920 178.223 176.094 0.348 0.000 1.065 351 V CA 1.612 64.000 62.300 0.147 0.000 1.083 351 V CB -0.310 31.535 31.823 0.037 0.000 0.692 351 V HN 0.704 nan 8.190 nan 0.000 0.468 352 E N -0.133 120.140 120.200 0.122 0.000 2.250 352 E HA -0.105 4.252 4.350 0.013 0.000 0.192 352 E C 1.282 177.870 176.600 -0.020 0.000 0.986 352 E CA 1.164 57.649 56.400 0.142 0.000 0.849 352 E CB 0.185 29.926 29.700 0.068 0.000 0.797 352 E HN 0.804 nan 8.360 nan 0.000 0.482 353 D N -2.376 117.777 120.400 -0.412 0.000 2.516 353 D HA 0.084 4.732 4.640 0.013 0.000 0.241 353 D C 1.023 176.556 176.300 -1.278 0.000 1.246 353 D CA 0.556 54.170 54.000 -0.644 0.000 0.808 353 D CB 0.402 41.013 40.800 -0.315 0.000 1.147 353 D HN 0.111 nan 8.370 nan 0.000 0.527 354 G N 1.833 109.585 108.800 -1.747 0.000 2.147 354 G HA2 -0.306 3.662 3.960 0.013 0.000 0.244 354 G HA3 -0.306 3.662 3.960 0.013 0.000 0.244 354 G C 0.146 174.435 174.900 -1.018 0.000 1.005 354 G CA 0.298 44.151 45.100 -2.079 0.000 0.713 354 G HN 0.780 nan 8.290 nan 0.000 0.515 355 R N -0.993 119.089 120.500 -0.697 0.000 2.643 355 R HA 0.737 5.085 4.340 0.013 0.000 0.272 355 R C -0.274 175.771 176.300 -0.426 0.000 0.995 355 R CA -1.076 54.706 56.100 -0.530 0.000 1.032 355 R CB 0.838 30.947 30.300 -0.318 0.000 1.126 355 R HN 0.021 nan 8.270 nan 0.000 0.505 356 F N 2.099 121.988 119.950 -0.102 0.000 2.506 356 F HA 0.093 4.627 4.527 0.012 0.000 0.371 356 F C 1.181 176.937 175.800 -0.073 0.000 1.078 356 F CA -0.431 57.545 58.000 -0.041 0.000 1.195 356 F CB 1.458 40.459 39.000 0.002 0.000 1.099 356 F HN 0.290 nan 8.300 nan 0.000 0.548 357 V N 3.070 123.063 119.914 0.132 0.000 2.949 357 V HA 0.329 4.456 4.120 0.013 0.000 0.245 357 V C 0.729 176.671 176.094 -0.253 0.000 1.086 357 V CA 1.046 63.289 62.300 -0.094 0.000 1.097 357 V CB 0.328 32.074 31.823 -0.127 0.000 0.762 357 V HN 0.819 nan 8.190 nan 0.000 0.470 358 A N -0.839 121.946 122.820 -0.059 0.000 2.610 358 A HA 0.777 5.105 4.320 0.013 0.000 0.291 358 A C -1.143 176.540 177.584 0.165 0.000 1.086 358 A CA -0.432 51.504 52.037 -0.167 0.000 0.677 358 A CB 1.962 20.568 19.000 -0.657 0.000 1.278 358 A HN 0.153 nan 8.150 nan 0.000 0.414 359 Q N -0.298 119.541 119.800 0.064 0.000 2.544 359 Q HA 0.757 5.104 4.340 0.013 0.000 0.291 359 Q C -1.418 174.698 176.000 0.192 0.000 1.068 359 Q CA -0.552 55.323 55.803 0.119 0.000 0.785 359 Q CB 2.211 30.904 28.738 -0.076 0.000 1.481 359 Q HN 0.815 nan 8.270 nan 0.000 0.430 360 Q N 1.587 121.543 119.800 0.260 0.000 2.443 360 Q HA 0.275 4.623 4.340 0.013 0.000 0.258 360 Q C -2.042 174.105 176.000 0.244 0.000 0.967 360 Q CA -0.743 55.214 55.803 0.257 0.000 0.951 360 Q CB 1.417 30.357 28.738 0.337 0.000 1.459 360 Q HN 0.364 nan 8.270 nan 0.000 0.415 361 K N 2.490 122.941 120.400 0.086 0.000 2.234 361 K HA 0.432 4.760 4.320 0.013 0.000 0.282 361 K C -0.769 175.704 176.600 -0.211 0.000 1.039 361 K CA 0.089 56.171 56.287 -0.341 0.000 0.928 361 K CB 1.316 33.621 32.500 -0.325 0.000 1.039 361 K HN 0.443 nan 8.250 nan 0.000 0.470 362 V N 2.252 121.993 119.914 -0.288 0.000 3.350 362 V HA 0.234 4.361 4.120 0.013 0.000 0.246 362 V C 0.016 175.884 176.094 -0.377 0.000 1.363 362 V CA 0.409 62.556 62.300 -0.254 0.000 1.162 362 V CB 0.260 31.980 31.823 -0.171 0.000 0.947 362 V HN 0.924 nan 8.190 nan 0.000 0.454 363 D N -0.637 119.496 120.400 -0.446 0.000 2.622 363 D HA 0.197 4.844 4.640 0.013 0.000 0.255 363 D C -0.056 176.018 176.300 -0.377 0.000 1.246 363 D CA 0.697 54.481 54.000 -0.361 0.000 0.795 363 D CB 2.333 42.852 40.800 -0.467 0.000 1.369 363 D HN 0.067 nan 8.370 nan 0.000 0.425 364 S N -0.525 115.031 115.700 -0.239 0.000 2.559 364 S HA 0.012 4.490 4.470 0.013 0.000 0.226 364 S C 1.671 176.168 174.600 -0.171 0.000 1.030 364 S CA 0.723 58.800 58.200 -0.205 0.000 0.956 364 S CB -0.017 63.106 63.200 -0.128 0.000 0.900 364 S HN 0.410 nan 8.310 nan 0.000 0.510 365 S N 1.590 117.190 115.700 -0.167 0.000 2.402 365 S HA 0.426 4.904 4.470 0.013 0.000 0.229 365 S C 1.352 175.847 174.600 -0.175 0.000 1.021 365 S CA 0.511 58.635 58.200 -0.128 0.000 0.974 365 S CB -1.041 62.114 63.200 -0.076 0.000 0.800 365 S HN 1.710 nan 8.310 nan 0.000 0.484 366 G N 0.168 108.759 108.800 -0.350 0.000 2.570 366 G HA2 0.148 4.115 3.960 0.013 0.000 0.686 366 G HA3 0.148 4.115 3.960 0.013 0.000 0.686 366 G C -0.916 173.712 174.900 -0.452 0.000 1.257 366 G CA -0.794 44.083 45.100 -0.373 0.000 0.846 366 G HN 0.261 nan 8.290 nan 0.000 0.627 367 F N 0.114 120.061 119.950 -0.004 0.000 2.470 367 F HA 0.803 5.337 4.527 0.013 0.000 0.329 367 F C 1.114 176.930 175.800 0.027 0.000 1.072 367 F CA -0.339 57.663 58.000 0.004 0.000 0.989 367 F CB 2.178 41.165 39.000 -0.021 0.000 1.193 367 F HN 0.744 nan 8.300 nan 0.000 0.481 368 Q N 0.153 120.108 119.800 0.257 0.000 2.303 368 Q HA 0.121 4.468 4.340 0.013 0.000 0.175 368 Q C 0.503 176.578 176.000 0.124 0.000 0.643 368 Q CA 0.592 56.492 55.803 0.161 0.000 0.871 368 Q CB 0.227 29.047 28.738 0.136 0.000 1.206 368 Q HN 0.749 nan 8.270 nan 0.000 0.424 369 T N -0.075 114.550 114.554 0.118 0.000 2.771 369 T HA 0.317 4.674 4.350 0.013 0.000 0.290 369 T C 0.288 175.001 174.700 0.023 0.000 1.005 369 T CA -0.478 61.667 62.100 0.075 0.000 0.944 369 T CB 0.395 69.327 68.868 0.106 0.000 1.147 369 T HN 0.382 nan 8.240 nan 0.000 0.534 370 E N 0.534 120.711 120.200 -0.038 0.000 2.349 370 E HA 0.328 4.685 4.350 0.013 0.000 0.265 370 E C -2.760 173.769 176.600 -0.118 0.000 1.064 370 E CA -2.032 54.303 56.400 -0.108 0.000 0.886 370 E CB -0.026 29.558 29.700 -0.193 0.000 1.036 370 E HN 0.344 nan 8.360 nan 0.000 0.413 371 P HA 0.103 nan 4.420 nan 0.000 0.272 371 P C -0.852 176.359 177.300 -0.147 0.000 1.230 371 P CA -0.384 62.593 63.100 -0.205 0.000 0.788 371 P CB 0.720 32.266 31.700 -0.258 0.000 0.949 372 V N 0.707 120.538 119.914 -0.139 0.000 2.638 372 V HA 0.686 4.814 4.120 0.013 0.000 0.306 372 V C -0.407 175.614 176.094 -0.123 0.000 1.052 372 V CA -0.737 61.515 62.300 -0.080 0.000 0.885 372 V CB 1.769 33.596 31.823 0.006 0.000 0.999 372 V HN 0.649 nan 8.190 nan 0.000 0.424 373 A N 3.598 126.379 122.820 -0.065 0.000 2.363 373 A HA 0.958 5.285 4.320 0.013 0.000 0.296 373 A C -0.281 177.337 177.584 0.056 0.000 1.237 373 A CA -0.080 51.939 52.037 -0.031 0.000 0.773 373 A CB 1.146 20.182 19.000 0.060 0.000 1.153 373 A HN 1.490 nan 8.150 nan 0.000 0.473 374 A N 2.489 125.349 122.820 0.067 0.000 2.449 374 A HA 0.720 5.047 4.320 0.013 0.000 0.302 374 A C -0.545 177.111 177.584 0.121 0.000 1.048 374 A CA -0.536 51.557 52.037 0.094 0.000 0.708 374 A CB 0.436 19.481 19.000 0.075 0.000 1.274 374 A HN 1.079 nan 8.150 nan 0.000 0.410 375 D N 1.284 121.753 120.400 0.115 0.000 2.810 375 D HA -0.052 4.596 4.640 0.013 0.000 0.224 375 D C 1.153 177.533 176.300 0.133 0.000 1.222 375 D CA 2.537 56.599 54.000 0.103 0.000 0.698 375 D CB -1.334 39.514 40.800 0.080 0.000 0.961 375 D HN 2.054 nan 8.370 nan 0.000 0.403 376 G N -0.863 108.053 108.800 0.192 0.000 2.180 376 G HA2 -0.391 3.577 3.960 0.013 0.000 0.263 376 G HA3 -0.391 3.577 3.960 0.013 0.000 0.263 376 G C 0.257 175.350 174.900 0.321 0.000 0.989 376 G CA 0.602 45.842 45.100 0.232 0.000 0.692 376 G HN 0.437 nan 8.290 nan 0.000 0.526 377 K N -0.556 119.986 120.400 0.236 0.000 2.207 377 K HA 0.665 4.992 4.320 0.013 0.000 0.255 377 K C -0.699 175.761 176.600 -0.234 0.000 0.941 377 K CA -1.088 55.230 56.287 0.053 0.000 0.825 377 K CB 2.088 34.611 32.500 0.037 0.000 1.119 377 K HN 0.267 nan 8.250 nan 0.000 0.430 378 L N 4.588 125.531 121.223 -0.467 0.000 2.353 378 L HA 0.333 4.681 4.340 0.013 0.000 0.270 378 L C -1.577 175.058 176.870 -0.392 0.000 1.003 378 L CA -0.620 53.805 54.840 -0.692 0.000 0.862 378 L CB 0.623 42.003 42.059 -1.131 0.000 1.221 378 L HN 0.290 nan 8.230 nan 0.000 0.430 379 L N 5.645 126.696 121.223 -0.287 0.000 2.334 379 L HA 0.625 4.973 4.340 0.013 0.000 0.275 379 L C -0.284 176.475 176.870 -0.185 0.000 1.036 379 L CA -0.424 54.290 54.840 -0.211 0.000 0.807 379 L CB 1.536 43.528 42.059 -0.113 0.000 1.231 379 L HN 0.659 nan 8.230 nan 0.000 0.438 380 I N 1.485 121.976 120.570 -0.132 0.000 2.787 380 I HA 0.288 4.466 4.170 0.013 0.000 0.294 380 I C -1.335 174.838 176.117 0.094 0.000 1.365 380 I CA -0.434 60.792 61.300 -0.124 0.000 1.029 380 I CB 2.212 39.959 38.000 -0.422 0.000 1.313 380 I HN 0.732 nan 8.210 nan 0.000 0.431 381 Q N 6.104 125.990 119.800 0.143 0.000 2.325 381 Q HA 0.751 5.098 4.340 0.013 0.000 0.262 381 Q C -0.957 175.260 176.000 0.362 0.000 0.968 381 Q CA -0.525 55.427 55.803 0.248 0.000 0.877 381 Q CB 1.863 30.696 28.738 0.159 0.000 1.253 381 Q HN 0.791 nan 8.270 nan 0.000 0.448 382 A N 3.413 126.495 122.820 0.437 0.000 2.259 382 A HA 0.221 4.548 4.320 0.013 0.000 0.278 382 A C 0.602 178.289 177.584 0.172 0.000 1.107 382 A CA -0.279 51.951 52.037 0.322 0.000 0.828 382 A CB 0.462 19.523 19.000 0.101 0.000 1.111 382 A HN 0.982 nan 8.150 nan 0.000 0.498 383 K N -0.113 120.339 120.400 0.087 0.000 2.211 383 K HA -0.149 4.179 4.320 0.013 0.000 0.203 383 K C 0.640 177.285 176.600 0.075 0.000 1.050 383 K CA 1.627 57.963 56.287 0.082 0.000 0.945 383 K CB -0.326 32.209 32.500 0.059 0.000 0.732 383 K HN 0.722 nan 8.250 nan 0.000 0.451 384 D N 0.397 120.830 120.400 0.054 0.000 2.378 384 D HA -0.053 4.595 4.640 0.013 0.000 0.222 384 D C 1.247 177.588 176.300 0.068 0.000 0.980 384 D CA 1.134 55.167 54.000 0.055 0.000 0.907 384 D CB 0.152 40.973 40.800 0.035 0.000 0.899 384 D HN 0.459 nan 8.370 nan 0.000 0.527 385 G N -1.311 107.543 108.800 0.090 0.000 2.211 385 G HA2 -0.209 3.759 3.960 0.013 0.000 0.201 385 G HA3 -0.209 3.759 3.960 0.013 0.000 0.201 385 G C 0.266 175.219 174.900 0.087 0.000 0.997 385 G CA 0.060 45.210 45.100 0.084 0.000 0.652 385 G HN 0.439 nan 8.290 nan 0.000 0.500 386 T N 1.804 116.422 114.554 0.107 0.000 2.779 386 T HA 0.490 4.848 4.350 0.013 0.000 0.296 386 T C 0.538 175.294 174.700 0.094 0.000 0.938 386 T CA -0.146 61.984 62.100 0.050 0.000 1.119 386 T CB 2.370 71.238 68.868 0.000 0.000 0.891 386 T HN 0.437 nan 8.240 nan 0.000 0.526 387 V N 4.864 124.785 119.914 0.012 0.000 2.461 387 V HA 0.290 4.418 4.120 0.013 0.000 0.275 387 V C -0.545 175.453 176.094 -0.159 0.000 1.047 387 V CA -0.537 61.796 62.300 0.055 0.000 0.955 387 V CB -0.246 31.651 31.823 0.124 0.000 0.988 387 V HN 0.766 nan 8.190 nan 0.000 0.471 388 Y N 2.290 122.523 120.300 -0.110 0.000 2.446 388 Y HA 0.579 5.137 4.550 0.013 0.000 0.338 388 Y C 0.513 176.057 175.900 -0.593 0.000 1.055 388 Y CA -0.478 57.444 58.100 -0.296 0.000 1.101 388 Y CB 2.105 40.494 38.460 -0.120 0.000 1.221 388 Y HN 0.544 nan 8.280 nan 0.000 0.460 389 S N 3.174 118.399 115.700 -0.792 0.000 2.482 389 S HA 0.689 5.167 4.470 0.013 0.000 0.303 389 S C -1.282 173.069 174.600 -0.416 0.000 1.091 389 S CA -0.560 57.155 58.200 -0.808 0.000 1.057 389 S CB 0.336 62.604 63.200 -1.553 0.000 1.031 389 S HN 0.466 nan 8.310 nan 0.000 0.485 390 I N 3.410 123.837 120.570 -0.239 0.000 2.530 390 I HA 0.412 4.589 4.170 0.013 0.000 0.297 390 I C 1.034 177.152 176.117 0.003 0.000 1.011 390 I CA 0.022 61.285 61.300 -0.062 0.000 1.107 390 I CB 1.155 39.164 38.000 0.015 0.000 1.285 390 I HN 0.807 nan 8.210 nan 0.000 0.436 391 T N 0.000 114.573 114.554 0.032 0.000 3.816 391 T HA 0.000 4.358 4.350 0.013 0.000 0.228 391 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 391 T CB 0.000 68.830 68.868 -0.064 0.000 0.612 391 T HN 0.000 nan 8.240 nan 0.000 0.658