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 2qvb_1_A DATA FIRST_RESID 3 DATA SEQUENCE AFGVEPYGQP KYLEIAGKRM AYIDEGKGDA IVFQHGNPTS SYLWRNIMPH DATA SEQUENCE LEGLGRLVAC DLIGMGASDK LSPSGPDRYS YGEQRDFLFA LWDALDLGDH DATA SEQUENCE VVLVLHDWGS ALGFDWANQH RDRVQGIAFM EAIVTPMTWA DWPPAVRGVF DATA SEQUENCE QGFRSPQGEP MALEHNIFVE RVLPGAILRQ LSDEEMNHYR RPFVNGGEDR DATA SEQUENCE RPTLSWPRNL PIDGEPAEVV ALVNEYRSWL EETDMPKLFI NAEPGAIITG DATA SEQUENCE RIRDYVRSWP NQTEITVPGV HFVQEDSPEE IGAAIAQFVR RLRSAAG 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.528 177.584 -0.094 0.000 1.274 3 A CA 0.000 nan 52.037 nan 0.000 0.836 3 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 4 F N 1.900 121.857 119.950 0.011 0.000 2.506 4 F HA 0.407 4.927 4.527 -0.012 0.000 0.369 4 F C 1.613 177.412 175.800 -0.002 0.000 1.114 4 F CA 1.289 59.292 58.000 0.005 0.000 1.121 4 F CB 0.388 39.395 39.000 0.013 0.000 1.104 4 F HN 0.724 nan 8.300 nan 0.000 0.564 5 G N 2.648 111.513 108.800 0.108 0.000 2.432 5 G HA2 0.275 4.227 3.960 -0.013 0.000 0.239 5 G HA3 0.275 4.227 3.960 -0.013 0.000 0.239 5 G C 0.624 175.553 174.900 0.047 0.000 1.291 5 G CA -0.600 44.535 45.100 0.057 0.000 0.863 5 G HN 0.561 nan 8.290 nan 0.000 0.560 6 V N 1.712 121.662 119.914 0.059 0.000 3.431 6 V HA 0.199 4.311 4.120 -0.013 0.000 0.253 6 V C 1.849 177.979 176.094 0.061 0.000 1.184 6 V CA 1.563 63.919 62.300 0.093 0.000 1.104 6 V CB -0.781 31.130 31.823 0.147 0.000 0.799 6 V HN 0.928 nan 8.190 nan 0.000 0.462 7 E N 1.700 121.915 120.200 0.025 0.000 2.354 7 E HA 0.392 4.734 4.350 -0.013 0.000 0.269 7 E C -2.486 174.082 176.600 -0.053 0.000 1.036 7 E CA -1.830 54.579 56.400 0.014 0.000 0.876 7 E CB -0.441 29.270 29.700 0.019 0.000 1.009 7 E HN 0.308 nan 8.360 nan 0.000 0.416 8 P HA 0.095 nan 4.420 nan 0.000 0.270 8 P C -0.829 176.473 177.300 0.004 0.000 1.223 8 P CA -0.130 62.963 63.100 -0.012 0.000 0.785 8 P CB 0.174 31.908 31.700 0.057 0.000 0.923 9 Y N 1.216 121.459 120.300 -0.095 0.000 2.299 9 Y HA 0.456 4.998 4.550 -0.013 0.000 0.326 9 Y C 1.054 176.919 175.900 -0.058 0.000 1.164 9 Y CA 1.073 59.123 58.100 -0.083 0.000 1.234 9 Y CB 0.237 38.635 38.460 -0.104 0.000 1.219 9 Y HN 0.846 nan 8.280 nan 0.000 0.497 10 G N 2.464 110.834 108.800 -0.716 0.000 2.697 10 G HA2 0.111 4.063 3.960 -0.013 0.000 0.240 10 G HA3 0.111 4.063 3.960 -0.013 0.000 0.240 10 G C -1.022 173.743 174.900 -0.224 0.000 1.346 10 G CA -0.069 44.752 45.100 -0.464 0.000 0.887 10 G HN 1.239 nan 8.290 nan 0.000 0.569 11 Q N 0.116 119.811 119.800 -0.174 0.000 2.331 11 Q HA 0.760 5.092 4.340 -0.013 0.000 0.267 11 Q C -2.197 173.694 176.000 -0.181 0.000 1.006 11 Q CA -1.049 54.668 55.803 -0.143 0.000 0.818 11 Q CB 1.433 nan 28.738 nan 0.000 1.276 11 Q HN 0.891 nan 8.270 nan 0.000 0.450 12 P HA 0.269 nan 4.420 nan 0.000 0.268 12 P C -0.943 176.062 177.300 -0.492 0.000 1.204 12 P CA 0.109 62.998 63.100 -0.351 0.000 0.768 12 P CB 0.587 32.091 31.700 -0.328 0.000 0.842 13 K N 2.220 122.179 120.400 -0.735 0.000 2.395 13 K HA 0.618 4.930 4.320 -0.013 0.000 0.247 13 K C -1.031 175.055 176.600 -0.858 0.000 0.973 13 K CA -0.629 55.204 56.287 -0.757 0.000 0.828 13 K CB 1.743 33.731 32.500 -0.854 0.000 1.272 13 K HN 0.332 nan 8.250 nan 0.000 0.439 14 Y N 0.571 120.796 120.300 -0.125 0.000 2.492 14 Y HA 0.522 5.064 4.550 -0.014 0.000 0.346 14 Y C -0.671 175.373 175.900 0.240 0.000 0.997 14 Y CA -0.914 57.244 58.100 0.097 0.000 1.025 14 Y CB 1.700 40.192 38.460 0.054 0.000 1.263 14 Y HN 0.211 nan 8.280 nan 0.000 0.454 15 L N 1.979 123.478 121.223 0.459 0.000 2.388 15 L HA 0.496 4.828 4.340 -0.013 0.000 0.264 15 L C -0.763 176.248 176.870 0.234 0.000 0.998 15 L CA -0.994 54.028 54.840 0.303 0.000 0.817 15 L CB 2.484 44.695 42.059 0.252 0.000 1.338 15 L HN 0.588 nan 8.230 nan 0.000 0.414 16 E N 3.625 123.925 120.200 0.167 0.000 2.180 16 E HA 0.356 4.698 4.350 -0.013 0.000 0.283 16 E C -0.954 175.728 176.600 0.136 0.000 1.061 16 E CA -0.239 56.242 56.400 0.136 0.000 0.861 16 E CB 1.177 30.934 29.700 0.095 0.000 1.056 16 E HN 0.192 nan 8.360 nan 0.000 0.407 17 I N 2.168 122.840 120.570 0.170 0.000 2.439 17 I HA 0.182 4.344 4.170 -0.013 0.000 0.285 17 I C 0.572 176.804 176.117 0.191 0.000 1.021 17 I CA -0.648 60.752 61.300 0.167 0.000 1.091 17 I CB 0.997 39.131 38.000 0.223 0.000 1.242 17 I HN 0.665 nan 8.210 nan 0.000 0.439 18 A N 4.930 127.785 122.820 0.059 0.000 2.704 18 A HA -0.081 4.231 4.320 -0.013 0.000 0.299 18 A C 1.421 179.077 177.584 0.121 0.000 1.507 18 A CA 1.423 53.453 52.037 -0.013 0.000 0.776 18 A CB -1.809 16.999 19.000 -0.320 0.000 1.027 18 A HN 2.060 nan 8.150 nan 0.000 0.475 19 G N -2.518 106.354 108.800 0.120 0.000 2.175 19 G HA2 -0.185 3.767 3.960 -0.013 0.000 0.244 19 G HA3 -0.185 3.767 3.960 -0.013 0.000 0.244 19 G C -0.028 174.945 174.900 0.123 0.000 0.982 19 G CA 0.815 45.978 45.100 0.106 0.000 0.641 19 G HN 1.149 nan 8.290 nan 0.000 0.527 20 K N -0.103 120.406 120.400 0.180 0.000 2.422 20 K HA 0.463 4.775 4.320 -0.013 0.000 0.251 20 K C -0.253 176.419 176.600 0.119 0.000 0.933 20 K CA -0.977 55.379 56.287 0.116 0.000 0.798 20 K CB 2.159 34.693 32.500 0.057 0.000 1.238 20 K HN 0.240 nan 8.250 nan 0.000 0.428 21 R N 3.036 123.582 120.500 0.076 0.000 2.347 21 R HA 0.249 4.581 4.340 -0.013 0.000 0.304 21 R C -0.433 175.975 176.300 0.179 0.000 1.072 21 R CA -0.110 56.063 56.100 0.122 0.000 0.980 21 R CB 0.506 30.813 30.300 0.013 0.000 0.986 21 R HN 0.440 nan 8.270 nan 0.000 0.448 22 M N 2.973 122.729 119.600 0.261 0.000 2.364 22 M HA 0.377 4.849 4.480 -0.013 0.000 0.334 22 M C -0.406 176.127 176.300 0.388 0.000 1.107 22 M CA -0.719 54.749 55.300 0.280 0.000 0.988 22 M CB 1.855 34.600 32.600 0.241 0.000 1.673 22 M HN 0.637 nan 8.290 nan 0.000 0.441 23 A N 3.940 126.944 122.820 0.306 0.000 2.312 23 A HA 0.862 5.174 4.320 -0.013 0.000 0.326 23 A C -1.260 176.449 177.584 0.209 0.000 1.172 23 A CA -0.338 51.754 52.037 0.092 0.000 0.821 23 A CB 0.714 19.708 19.000 -0.010 0.000 1.166 23 A HN 0.858 nan 8.150 nan 0.000 0.493 24 Y N -1.070 119.198 120.300 -0.053 0.000 2.677 24 Y HA 0.728 5.270 4.550 -0.014 0.000 0.334 24 Y C -1.286 174.618 175.900 0.005 0.000 1.196 24 Y CA -1.439 56.688 58.100 0.046 0.000 1.059 24 Y CB 0.869 39.393 38.460 0.107 0.000 1.315 24 Y HN 0.491 nan 8.280 nan 0.000 0.455 25 I N 2.066 122.728 120.570 0.153 0.000 2.412 25 I HA 0.417 4.579 4.170 -0.013 0.000 0.296 25 I C -1.246 175.021 176.117 0.249 0.000 0.987 25 I CA -0.413 60.944 61.300 0.094 0.000 1.180 25 I CB 1.774 39.871 38.000 0.161 0.000 1.340 25 I HN 0.650 nan 8.210 nan 0.000 0.455 26 D N 5.857 126.358 120.400 0.169 0.000 2.365 26 D HA 0.288 4.920 4.640 -0.013 0.000 0.235 26 D C -1.184 175.189 176.300 0.122 0.000 1.368 26 D CA -0.275 53.853 54.000 0.213 0.000 1.001 26 D CB 1.163 42.165 40.800 0.337 0.000 1.364 26 D HN 0.330 nan 8.370 nan 0.000 0.577 27 E N 1.410 121.689 120.200 0.131 0.000 2.293 27 E HA 0.670 5.012 4.350 -0.013 0.000 0.270 27 E C 0.438 177.099 176.600 0.102 0.000 0.879 27 E CA -0.680 55.779 56.400 0.099 0.000 0.756 27 E CB 1.904 31.677 29.700 0.121 0.000 1.208 27 E HN 0.740 nan 8.360 nan 0.000 0.428 28 G N 2.239 111.080 108.800 0.068 0.000 2.712 28 G HA2 -0.186 3.766 3.960 -0.013 0.000 0.683 28 G HA3 -0.186 3.766 3.960 -0.013 0.000 0.683 28 G C -0.921 174.006 174.900 0.045 0.000 1.320 28 G CA -0.785 44.351 45.100 0.059 0.000 0.847 28 G HN 0.370 nan 8.290 nan 0.000 0.553 29 K N 0.147 120.566 120.400 0.033 0.000 2.208 29 K HA 0.802 5.114 4.320 -0.013 0.000 0.247 29 K C 0.607 177.215 176.600 0.014 0.000 0.953 29 K CA -0.064 56.235 56.287 0.021 0.000 0.837 29 K CB 1.870 34.378 32.500 0.012 0.000 1.131 29 K HN 2.339 nan 8.250 nan 0.000 0.431 30 G N 1.307 110.111 108.800 0.007 0.000 2.396 30 G HA2 -0.155 3.797 3.960 -0.013 0.000 0.254 30 G HA3 -0.155 3.797 3.960 -0.013 0.000 0.254 30 G C -1.531 173.365 174.900 -0.006 0.000 1.248 30 G CA -0.961 44.136 45.100 -0.006 0.000 1.033 30 G HN 0.562 nan 8.290 nan 0.000 0.502 31 D N 1.188 121.578 120.400 -0.017 0.000 2.414 31 D HA 0.523 5.155 4.640 -0.013 0.000 0.242 31 D C 0.972 177.259 176.300 -0.021 0.000 1.129 31 D CA 1.024 55.020 54.000 -0.006 0.000 0.885 31 D CB 1.159 41.954 40.800 -0.008 0.000 1.198 31 D HN 0.994 nan 8.370 nan 0.000 0.437 32 A N 2.391 125.187 122.820 -0.041 0.000 2.388 32 A HA 0.445 4.757 4.320 -0.013 0.000 0.257 32 A C 0.153 177.661 177.584 -0.127 0.000 1.095 32 A CA -0.352 51.631 52.037 -0.089 0.000 0.791 32 A CB 0.104 19.011 19.000 -0.156 0.000 1.029 32 A HN 0.549 nan 8.150 nan 0.000 0.489 33 I N 3.062 123.556 120.570 -0.126 0.000 2.411 33 I HA 0.297 4.460 4.170 -0.013 0.000 0.284 33 I C -0.900 175.026 176.117 -0.318 0.000 1.012 33 I CA -0.583 60.574 61.300 -0.238 0.000 1.119 33 I CB 1.711 39.616 38.000 -0.158 0.000 1.261 33 I HN 0.248 nan 8.210 nan 0.000 0.448 34 V N 6.740 126.354 119.914 -0.500 0.000 2.357 34 V HA 0.404 4.516 4.120 -0.013 0.000 0.284 34 V C -0.523 175.240 176.094 -0.551 0.000 1.018 34 V CA -0.474 61.558 62.300 -0.447 0.000 0.841 34 V CB 1.178 32.585 31.823 -0.694 0.000 0.991 34 V HN 0.356 nan 8.190 nan 0.000 0.437 35 F N 3.397 123.123 119.950 -0.372 0.000 2.411 35 F HA 0.665 5.183 4.527 -0.014 0.000 0.352 35 F C 0.242 175.873 175.800 -0.281 0.000 1.123 35 F CA -0.534 57.030 58.000 -0.728 0.000 1.044 35 F CB 1.685 39.930 39.000 -1.258 0.000 1.135 35 F HN 0.375 nan 8.300 nan 0.000 0.461 36 Q N 4.139 124.021 119.800 0.136 0.000 2.309 36 Q HA 0.193 4.525 4.340 -0.013 0.000 0.270 36 Q C -0.350 176.099 176.000 0.747 0.000 1.023 36 Q CA -0.670 55.414 55.803 0.469 0.000 0.758 36 Q CB 0.644 29.613 28.738 0.384 0.000 1.247 36 Q HN 0.688 nan 8.270 nan 0.000 0.455 37 H N 1.300 120.874 119.070 0.840 0.000 2.660 37 H HA 0.685 5.233 4.556 -0.014 0.000 0.374 37 H C -0.321 175.252 175.328 0.408 0.000 1.291 37 H CA 0.103 56.522 56.048 0.618 0.000 1.437 37 H CB 0.770 30.817 29.762 0.475 0.000 1.509 37 H HN 0.635 nan 8.280 nan 0.000 0.614 38 G N 0.154 109.199 108.800 0.408 0.000 3.264 38 G HA2 0.123 4.075 3.960 -0.013 0.000 0.168 38 G HA3 0.123 4.075 3.960 -0.013 0.000 0.168 38 G C -0.737 174.383 174.900 0.367 0.000 1.145 38 G CA -0.802 44.411 45.100 0.189 0.000 0.855 38 G HN 0.689 nan 8.290 nan 0.000 0.629 39 N N 1.185 120.003 118.700 0.197 0.000 2.456 39 N HA 0.509 5.241 4.740 -0.013 0.000 0.288 39 N C -2.367 173.338 175.510 0.325 0.000 1.059 39 N CA -1.997 51.132 53.050 0.132 0.000 0.946 39 N CB 2.168 40.570 38.487 -0.141 0.000 1.150 39 N HN 0.080 nan 8.380 nan 0.000 0.479 40 P HA 0.186 nan 4.420 nan 0.000 0.223 40 P C -0.592 176.901 177.300 0.321 0.000 1.878 40 P CA -0.264 62.917 63.100 0.135 0.000 1.038 40 P CB -0.063 31.618 31.700 -0.032 0.000 1.774 41 T N -2.268 112.516 114.554 0.383 0.000 2.898 41 T HA 0.747 5.089 4.350 -0.013 0.000 0.283 41 T C 0.394 175.097 174.700 0.006 0.000 1.059 41 T CA -0.432 61.875 62.100 0.344 0.000 0.958 41 T CB 0.882 69.978 68.868 0.379 0.000 1.594 41 T HN 0.262 nan 8.240 nan 0.000 0.598 42 S N -1.165 114.373 115.700 -0.270 0.000 2.757 42 S HA 0.382 4.844 4.470 -0.013 0.000 0.285 42 S C 1.242 175.715 174.600 -0.211 0.000 1.196 42 S CA 0.017 57.781 58.200 -0.727 0.000 0.856 42 S CB 0.592 63.683 63.200 -0.180 0.000 1.212 42 S HN 1.304 nan 8.310 nan 0.000 0.516 43 S N -0.134 115.627 115.700 0.102 0.000 2.465 43 S HA -0.167 4.295 4.470 -0.013 0.000 0.241 43 S C 1.483 176.229 174.600 0.243 0.000 1.000 43 S CA 1.253 59.668 58.200 0.358 0.000 0.964 43 S CB -1.161 62.231 63.200 0.321 0.000 0.763 43 S HN 0.769 nan 8.310 nan 0.000 0.512 44 Y N 1.951 122.239 120.300 -0.020 0.000 2.241 44 Y HA -0.118 4.423 4.550 -0.014 0.000 0.286 44 Y C 2.036 177.860 175.900 -0.126 0.000 1.166 44 Y CA 1.326 59.337 58.100 -0.148 0.000 1.203 44 Y CB -0.524 37.727 38.460 -0.348 0.000 0.977 44 Y HN 0.351 nan 8.280 nan 0.000 0.529 45 L N -0.955 120.244 121.223 -0.039 0.000 2.187 45 L HA -0.196 4.136 4.340 -0.013 0.000 0.213 45 L C 1.159 177.799 176.870 -0.383 0.000 1.100 45 L CA 1.818 56.541 54.840 -0.195 0.000 0.765 45 L CB -0.670 41.192 42.059 -0.329 0.000 0.904 45 L HN 0.351 nan 8.230 nan 0.000 0.437 46 W N -0.331 120.937 121.300 -0.053 0.000 3.278 46 W HA 0.170 4.822 4.660 -0.012 0.000 0.308 46 W C 2.254 178.605 176.519 -0.280 0.000 1.253 46 W CA -0.010 57.245 57.345 -0.150 0.000 1.759 46 W CB -0.095 29.247 29.460 -0.196 0.000 1.093 46 W HN 0.103 nan 8.180 nan 0.000 0.648 47 R N 0.597 121.014 120.500 -0.137 0.000 2.120 47 R HA -0.112 4.220 4.340 -0.013 0.000 0.234 47 R C 0.923 177.150 176.300 -0.122 0.000 1.123 47 R CA 1.525 57.530 56.100 -0.160 0.000 0.975 47 R CB -0.663 29.429 30.300 -0.347 0.000 0.866 47 R HN 0.127 nan 8.270 nan 0.000 0.446 48 N N 0.178 118.825 118.700 -0.088 0.000 2.280 48 N HA 0.142 4.874 4.740 -0.013 0.000 0.192 48 N C 1.388 176.935 175.510 0.062 0.000 1.109 48 N CA 0.415 53.459 53.050 -0.011 0.000 0.855 48 N CB 0.457 38.957 38.487 0.021 0.000 0.974 48 N HN 0.338 nan 8.380 nan 0.000 0.482 49 I N 0.246 120.834 120.570 0.030 0.000 2.729 49 I HA 0.026 4.188 4.170 -0.013 0.000 0.256 49 I C 2.037 178.131 176.117 -0.038 0.000 1.115 49 I CA 0.361 61.719 61.300 0.097 0.000 1.446 49 I CB -0.003 38.133 38.000 0.226 0.000 1.176 49 I HN -0.077 nan 8.210 nan 0.000 0.446 50 M N 0.807 120.149 119.600 -0.430 0.000 2.144 50 M HA -0.170 4.302 4.480 -0.013 0.000 0.260 50 M C -0.612 175.368 176.300 -0.534 0.000 1.067 50 M CA 2.254 57.081 55.300 -0.789 0.000 1.095 50 M CB -1.605 30.161 32.600 -1.390 0.000 1.365 50 M HN 0.077 nan 8.290 nan 0.000 0.406 51 P HA -0.137 nan 4.420 nan 0.000 0.219 51 P C 0.680 177.897 177.300 -0.139 0.000 1.146 51 P CA 1.402 64.394 63.100 -0.179 0.000 0.808 51 P CB -0.224 31.405 31.700 -0.117 0.000 0.779 52 H N -1.807 117.219 119.070 -0.072 0.000 2.521 52 H HA 0.036 4.585 4.556 -0.013 0.000 0.286 52 H C 1.295 176.628 175.328 0.008 0.000 1.034 52 H CA 0.684 56.722 56.048 -0.017 0.000 1.278 52 H CB -0.300 29.463 29.762 0.001 0.000 1.386 52 H HN 0.019 nan 8.280 nan 0.000 0.567 53 L N 0.788 122.075 121.223 0.107 0.000 2.667 53 L HA 0.136 4.468 4.340 -0.013 0.000 0.232 53 L C 0.124 177.034 176.870 0.067 0.000 1.138 53 L CA 0.318 55.223 54.840 0.109 0.000 0.921 53 L CB -0.557 41.612 42.059 0.185 0.000 1.180 53 L HN 0.290 nan 8.230 nan 0.000 0.487 54 E N 0.117 120.343 120.200 0.044 0.000 2.465 54 E HA 0.243 4.585 4.350 -0.013 0.000 0.260 54 E C 1.238 177.862 176.600 0.040 0.000 0.980 54 E CA 0.792 57.224 56.400 0.054 0.000 0.927 54 E CB 0.332 30.067 29.700 0.058 0.000 0.934 54 E HN 0.371 nan 8.360 nan 0.000 0.459 55 G N 2.823 111.647 108.800 0.039 0.000 2.205 55 G HA2 -0.313 3.639 3.960 -0.013 0.000 0.261 55 G HA3 -0.313 3.639 3.960 -0.013 0.000 0.261 55 G C 0.693 175.604 174.900 0.019 0.000 0.980 55 G CA 0.323 45.437 45.100 0.024 0.000 0.632 55 G HN 0.518 nan 8.290 nan 0.000 0.533 56 L N 0.242 121.481 121.223 0.027 0.000 2.585 56 L HA 0.552 4.884 4.340 -0.013 0.000 0.226 56 L C 1.387 178.262 176.870 0.008 0.000 1.113 56 L CA 0.664 55.514 54.840 0.016 0.000 0.876 56 L CB 0.279 42.352 42.059 0.025 0.000 1.072 56 L HN 0.710 nan 8.230 nan 0.000 0.468 57 G N -0.182 108.631 108.800 0.022 0.000 2.315 57 G HA2 0.129 4.081 3.960 -0.013 0.000 0.294 57 G HA3 0.129 4.081 3.960 -0.013 0.000 0.294 57 G C -1.638 173.284 174.900 0.038 0.000 1.300 57 G CA -0.894 44.215 45.100 0.016 0.000 0.843 57 G HN -0.086 nan 8.290 nan 0.000 0.527 58 R N 0.540 121.058 120.500 0.030 0.000 2.210 58 R HA 0.447 4.779 4.340 -0.013 0.000 0.338 58 R C -0.472 175.871 176.300 0.070 0.000 1.062 58 R CA -0.420 55.708 56.100 0.047 0.000 0.902 58 R CB -0.078 30.237 30.300 0.025 0.000 1.050 58 R HN 0.375 nan 8.270 nan 0.000 0.461 59 L N 5.671 126.967 121.223 0.123 0.000 2.260 59 L HA 0.379 4.711 4.340 -0.013 0.000 0.289 59 L C -0.571 176.412 176.870 0.188 0.000 1.057 59 L CA -0.817 54.138 54.840 0.192 0.000 0.811 59 L CB 1.452 43.609 42.059 0.163 0.000 1.184 59 L HN 0.344 nan 8.230 nan 0.000 0.429 60 V N 2.733 122.768 119.914 0.201 0.000 2.540 60 V HA 0.787 4.899 4.120 -0.013 0.000 0.302 60 V C -0.060 176.181 176.094 0.246 0.000 1.035 60 V CA -0.490 61.919 62.300 0.181 0.000 0.873 60 V CB 1.837 33.685 31.823 0.041 0.000 0.992 60 V HN 0.839 nan 8.190 nan 0.000 0.428 61 A N 3.696 126.682 122.820 0.277 0.000 2.476 61 A HA 0.658 4.970 4.320 -0.013 0.000 0.280 61 A C -0.705 177.116 177.584 0.395 0.000 1.081 61 A CA -0.341 51.889 52.037 0.323 0.000 0.753 61 A CB 0.878 20.038 19.000 0.268 0.000 1.248 61 A HN 0.785 nan 8.150 nan 0.000 0.424 62 C N 1.369 120.939 119.300 0.449 0.000 2.370 62 C HA 0.630 5.082 4.460 -0.013 0.000 0.354 62 C C -0.178 175.098 174.990 0.477 0.000 1.218 62 C CA -0.506 58.773 59.018 0.435 0.000 2.154 62 C CB 0.889 28.858 27.740 0.382 0.000 2.391 62 C HN 0.779 nan 8.230 nan 0.000 0.540 63 D N 2.255 122.898 120.400 0.405 0.000 2.274 63 D HA 0.375 5.007 4.640 -0.013 0.000 0.239 63 D C 0.130 176.675 176.300 0.408 0.000 1.104 63 D CA 0.032 54.305 54.000 0.456 0.000 0.840 63 D CB 0.789 41.739 40.800 0.250 0.000 1.100 63 D HN 0.377 nan 8.370 nan 0.000 0.477 64 L N 1.955 123.492 121.223 0.525 0.000 2.516 64 L HA -0.035 4.297 4.340 -0.013 0.000 0.288 64 L C 0.997 177.992 176.870 0.207 0.000 1.246 64 L CA -0.374 54.640 54.840 0.290 0.000 0.844 64 L CB 0.153 42.402 42.059 0.317 0.000 1.106 64 L HN 0.318 nan 8.230 nan 0.000 0.509 65 I N 2.149 122.766 120.570 0.079 0.000 2.845 65 I HA 0.064 4.226 4.170 -0.013 0.000 0.296 65 I C 1.222 177.413 176.117 0.123 0.000 1.216 65 I CA 1.656 62.926 61.300 -0.050 0.000 1.438 65 I CB 0.551 38.279 38.000 -0.454 0.000 1.342 65 I HN 0.772 nan 8.210 nan 0.000 0.577 66 G N 5.439 114.315 108.800 0.126 0.000 2.184 66 G HA2 -0.268 3.684 3.960 -0.013 0.000 0.264 66 G HA3 -0.268 3.684 3.960 -0.013 0.000 0.264 66 G C 0.243 175.169 174.900 0.043 0.000 0.975 66 G CA 0.605 45.774 45.100 0.114 0.000 0.642 66 G HN 0.572 nan 8.290 nan 0.000 0.536 67 M N -0.832 118.824 119.600 0.093 0.000 2.690 67 M HA 0.587 5.060 4.480 -0.013 0.000 0.302 67 M C 1.278 177.588 176.300 0.018 0.000 1.234 67 M CA -0.130 55.233 55.300 0.105 0.000 0.853 67 M CB 1.855 34.673 32.600 0.365 0.000 1.748 67 M HN 1.232 nan 8.290 nan 0.000 0.469 68 G N 1.191 109.941 108.800 -0.082 0.000 2.634 68 G HA2 -0.294 3.659 3.960 -0.013 0.000 0.309 68 G HA3 -0.294 3.659 3.960 -0.013 0.000 0.309 68 G C 0.447 175.314 174.900 -0.054 0.000 1.265 68 G CA 0.536 45.596 45.100 -0.066 0.000 0.998 68 G HN 1.097 nan 8.290 nan 0.000 0.551 69 A N -0.292 122.545 122.820 0.028 0.000 2.337 69 A HA 0.662 4.974 4.320 -0.013 0.000 0.227 69 A C 1.312 179.000 177.584 0.173 0.000 1.259 69 A CA 1.438 53.530 52.037 0.093 0.000 0.870 69 A CB -0.130 18.942 19.000 0.120 0.000 0.927 69 A HN 1.174 nan 8.150 nan 0.000 0.497 70 S N 1.217 116.994 115.700 0.129 0.000 2.592 70 S HA 0.256 4.718 4.470 -0.013 0.000 0.271 70 S C -0.248 174.389 174.600 0.062 0.000 1.326 70 S CA -0.578 57.703 58.200 0.134 0.000 1.024 70 S CB 0.494 63.767 63.200 0.121 0.000 0.921 70 S HN 0.479 nan 8.310 nan 0.000 0.527 71 D N 2.019 122.441 120.400 0.037 0.000 2.400 71 D HA 0.104 4.736 4.640 -0.013 0.000 0.238 71 D C 0.126 176.424 176.300 -0.003 0.000 1.157 71 D CA 0.245 54.243 54.000 -0.002 0.000 0.889 71 D CB 0.440 41.228 40.800 -0.021 0.000 1.199 71 D HN 0.175 nan 8.370 nan 0.000 0.436 72 K N 1.296 121.706 120.400 0.018 0.000 2.218 72 K HA 0.294 4.606 4.320 -0.013 0.000 0.276 72 K C 0.173 176.784 176.600 0.018 0.000 1.022 72 K CA -0.460 55.877 56.287 0.083 0.000 0.946 72 K CB 0.652 33.202 32.500 0.083 0.000 1.000 72 K HN 0.344 nan 8.250 nan 0.000 0.468 73 L N 1.657 122.873 121.223 -0.011 0.000 2.439 73 L HA 0.109 4.441 4.340 -0.013 0.000 0.269 73 L C 0.580 177.411 176.870 -0.065 0.000 1.179 73 L CA 0.114 54.854 54.840 -0.166 0.000 0.828 73 L CB 0.563 42.313 42.059 -0.514 0.000 1.106 73 L HN 0.740 nan 8.230 nan 0.000 0.467 74 S N 1.206 116.869 115.700 -0.062 0.000 2.536 74 S HA 0.658 5.120 4.470 -0.013 0.000 0.271 74 S C -2.535 172.045 174.600 -0.033 0.000 1.134 74 S CA -1.245 56.938 58.200 -0.029 0.000 0.897 74 S CB 1.375 64.569 63.200 -0.011 0.000 1.094 74 S HN 0.501 nan 8.310 nan 0.000 0.473 75 P HA 0.354 nan 4.420 nan 0.000 0.271 75 P C -0.387 176.897 177.300 -0.027 0.000 1.216 75 P CA -0.135 62.954 63.100 -0.018 0.000 0.776 75 P CB 0.948 32.639 31.700 -0.014 0.000 0.881 76 S N 0.365 116.065 115.700 -0.000 0.000 2.617 76 S HA 0.756 5.218 4.470 -0.013 0.000 0.283 76 S C 0.087 174.702 174.600 0.025 0.000 1.189 76 S CA 0.323 58.538 58.200 0.024 0.000 1.036 76 S CB 0.597 63.864 63.200 0.112 0.000 1.014 76 S HN 0.902 nan 8.310 nan 0.000 0.522 77 G N 2.388 111.207 108.800 0.031 0.000 2.427 77 G HA2 0.395 4.347 3.960 -0.013 0.000 0.306 77 G HA3 0.395 4.347 3.960 -0.013 0.000 0.306 77 G C -2.874 172.039 174.900 0.023 0.000 1.280 77 G CA -0.656 44.458 45.100 0.022 0.000 0.837 77 G HN 0.391 nan 8.290 nan 0.000 0.482 78 P HA 0.072 nan 4.420 nan 0.000 0.226 78 P C 0.856 178.153 177.300 -0.004 0.000 1.153 78 P CA 1.418 64.523 63.100 0.009 0.000 0.777 78 P CB 0.088 31.794 31.700 0.011 0.000 0.794 79 D N -1.849 118.542 120.400 -0.016 0.000 2.340 79 D HA -0.012 4.620 4.640 -0.013 0.000 0.220 79 D C 0.578 176.839 176.300 -0.065 0.000 1.039 79 D CA 0.268 54.248 54.000 -0.034 0.000 0.866 79 D CB 0.075 40.856 40.800 -0.033 0.000 0.913 79 D HN 0.028 nan 8.370 nan 0.000 0.523 80 R N -0.224 120.234 120.500 -0.070 0.000 2.643 80 R HA 0.266 4.598 4.340 -0.013 0.000 0.272 80 R C 0.016 176.254 176.300 -0.104 0.000 0.995 80 R CA -0.912 55.082 56.100 -0.176 0.000 1.032 80 R CB -0.001 30.126 30.300 -0.287 0.000 1.126 80 R HN 0.093 nan 8.270 nan 0.000 0.505 81 Y N -1.986 118.177 120.300 -0.228 0.000 4.272 81 Y HA -0.315 4.227 4.550 -0.013 0.000 0.232 81 Y C 0.691 176.270 175.900 -0.534 0.000 1.149 81 Y CA 0.631 58.492 58.100 -0.398 0.000 1.961 81 Y CB -2.225 35.972 38.460 -0.437 0.000 1.611 81 Y HN 0.658 nan 8.280 nan 0.000 0.682 82 S N -0.839 114.711 115.700 -0.250 0.000 2.580 82 S HA 0.019 4.481 4.470 -0.013 0.000 0.266 82 S C 1.074 175.465 174.600 -0.348 0.000 1.354 82 S CA -0.028 58.022 58.200 -0.250 0.000 1.008 82 S CB 0.670 63.803 63.200 -0.112 0.000 0.898 82 S HN 0.368 nan 8.310 nan 0.000 0.555 83 Y N 2.184 122.298 120.300 -0.309 0.000 2.102 83 Y HA -0.117 4.425 4.550 -0.013 0.000 0.280 83 Y C 2.344 178.193 175.900 -0.085 0.000 1.178 83 Y CA 2.262 60.277 58.100 -0.143 0.000 1.146 83 Y CB -1.116 37.389 38.460 0.075 0.000 0.968 83 Y HN 0.821 nan 8.280 nan 0.000 0.504 84 G N -0.644 108.135 108.800 -0.036 0.000 2.418 84 G HA2 -0.318 3.634 3.960 -0.013 0.000 0.217 84 G HA3 -0.318 3.634 3.960 -0.013 0.000 0.217 84 G C 1.526 176.303 174.900 -0.205 0.000 1.158 84 G CA 0.916 45.959 45.100 -0.095 0.000 0.771 84 G HN 0.555 nan 8.290 nan 0.000 0.545 85 E N -0.253 119.843 120.200 -0.173 0.000 2.072 85 E HA -0.152 4.190 4.350 -0.013 0.000 0.191 85 E C 2.564 179.130 176.600 -0.056 0.000 0.985 85 E CA 0.881 57.213 56.400 -0.112 0.000 0.801 85 E CB -0.082 29.558 29.700 -0.099 0.000 0.750 85 E HN 0.328 nan 8.360 nan 0.000 0.452 86 Q N 0.358 120.036 119.800 -0.204 0.000 2.077 86 Q HA -0.240 4.092 4.340 -0.013 0.000 0.206 86 Q C 2.299 178.174 176.000 -0.208 0.000 0.989 86 Q CA 1.654 57.356 55.803 -0.168 0.000 0.853 86 Q CB -0.432 28.139 28.738 -0.278 0.000 0.907 86 Q HN 0.296 nan 8.270 nan 0.000 0.418 87 R N 0.665 120.877 120.500 -0.479 0.000 2.073 87 R HA -0.162 4.170 4.340 -0.013 0.000 0.234 87 R C 1.570 177.550 176.300 -0.534 0.000 1.134 87 R CA 1.734 57.406 56.100 -0.714 0.000 0.952 87 R CB -0.029 29.713 30.300 -0.929 0.000 0.850 87 R HN 0.178 nan 8.270 nan 0.000 0.433 88 D N -0.031 120.164 120.400 -0.341 0.000 2.106 88 D HA -0.205 4.427 4.640 -0.013 0.000 0.191 88 D C 1.790 177.957 176.300 -0.223 0.000 0.997 88 D CA 1.509 55.345 54.000 -0.273 0.000 0.834 88 D CB -0.430 40.181 40.800 -0.315 0.000 0.956 88 D HN 0.218 nan 8.370 nan 0.000 0.448 89 F N 0.290 120.158 119.950 -0.137 0.000 2.084 89 F HA -0.088 4.431 4.527 -0.013 0.000 0.296 89 F C 2.324 178.072 175.800 -0.087 0.000 1.111 89 F CA 0.442 58.393 58.000 -0.081 0.000 1.224 89 F CB -0.657 38.301 39.000 -0.070 0.000 0.991 89 F HN -0.067 nan 8.300 nan 0.000 0.471 90 L N -0.836 120.401 121.223 0.023 0.000 2.017 90 L HA -0.195 4.137 4.340 -0.013 0.000 0.208 90 L C 2.119 178.881 176.870 -0.181 0.000 1.073 90 L CA 1.774 56.495 54.840 -0.198 0.000 0.745 90 L CB -0.998 40.845 42.059 -0.360 0.000 0.894 90 L HN -0.027 nan 8.230 nan 0.000 0.432 91 F N 0.164 119.968 119.950 -0.243 0.000 2.171 91 F HA -0.122 4.397 4.527 -0.013 0.000 0.300 91 F C 2.571 178.412 175.800 0.068 0.000 1.090 91 F CA 0.774 58.772 58.000 -0.003 0.000 1.293 91 F CB -1.643 37.468 39.000 0.186 0.000 1.013 91 F HN 0.227 nan 8.300 nan 0.000 0.486 92 A N -0.233 122.702 122.820 0.192 0.000 1.898 92 A HA -0.138 4.174 4.320 -0.013 0.000 0.216 92 A C 2.185 179.833 177.584 0.107 0.000 1.181 92 A CA 1.409 53.518 52.037 0.119 0.000 0.620 92 A CB -1.045 17.974 19.000 0.032 0.000 0.819 92 A HN 0.316 nan 8.150 nan 0.000 0.442 93 L N -1.384 119.884 121.223 0.076 0.000 2.056 93 L HA -0.093 4.239 4.340 -0.013 0.000 0.207 93 L C 2.172 179.110 176.870 0.113 0.000 1.078 93 L CA 1.718 56.591 54.840 0.055 0.000 0.749 93 L CB -0.764 41.308 42.059 0.021 0.000 0.901 93 L HN 0.560 nan 8.230 nan 0.000 0.433 94 W N 0.263 121.517 121.300 -0.077 0.000 2.363 94 W HA -0.179 4.473 4.660 -0.013 0.000 0.296 94 W C 2.528 178.987 176.519 -0.101 0.000 1.212 94 W CA 1.295 58.525 57.345 -0.191 0.000 1.260 94 W CB -1.183 28.018 29.460 -0.431 0.000 1.131 94 W HN 0.364 nan 8.180 nan 0.000 0.530 95 D N -0.453 120.080 120.400 0.221 0.000 2.097 95 D HA -0.127 4.505 4.640 -0.013 0.000 0.195 95 D C 2.245 178.601 176.300 0.095 0.000 0.989 95 D CA 2.098 56.193 54.000 0.158 0.000 0.827 95 D CB -0.375 40.526 40.800 0.169 0.000 0.966 95 D HN -0.072 nan 8.370 nan 0.000 0.456 96 A N -0.132 122.734 122.820 0.077 0.000 2.019 96 A HA -0.067 4.245 4.320 -0.013 0.000 0.219 96 A C 2.209 179.801 177.584 0.013 0.000 1.164 96 A CA 0.832 52.895 52.037 0.045 0.000 0.644 96 A CB -0.637 18.388 19.000 0.042 0.000 0.805 96 A HN 0.386 nan 8.150 nan 0.000 0.449 97 L N -1.263 119.951 121.223 -0.015 0.000 2.492 97 L HA 0.003 4.335 4.340 -0.013 0.000 0.223 97 L C 0.457 177.314 176.870 -0.022 0.000 1.132 97 L CA 0.476 55.283 54.840 -0.055 0.000 0.850 97 L CB -0.314 41.669 42.059 -0.128 0.000 0.966 97 L HN 0.427 nan 8.230 nan 0.000 0.454 98 D N 0.240 120.641 120.400 0.001 0.000 2.828 98 D HA -0.201 4.431 4.640 -0.013 0.000 0.241 98 D C 0.738 177.032 176.300 -0.010 0.000 1.142 98 D CA 0.350 54.356 54.000 0.010 0.000 0.755 98 D CB -0.975 39.837 40.800 0.021 0.000 1.014 98 D HN 0.199 nan 8.370 nan 0.000 0.420 99 L N 0.239 121.439 121.223 -0.039 0.000 2.376 99 L HA 0.213 4.545 4.340 -0.013 0.000 0.219 99 L C 2.029 178.880 176.870 -0.031 0.000 1.133 99 L CA 0.717 55.507 54.840 -0.084 0.000 0.816 99 L CB -0.718 41.209 42.059 -0.220 0.000 0.933 99 L HN 0.646 nan 8.230 nan 0.000 0.449 100 G N 0.316 109.122 108.800 0.011 0.000 2.660 100 G HA2 -0.235 3.717 3.960 -0.013 0.000 0.215 100 G HA3 -0.235 3.717 3.960 -0.013 0.000 0.215 100 G C -0.449 174.468 174.900 0.028 0.000 1.345 100 G CA -0.115 45.007 45.100 0.036 0.000 0.877 100 G HN 0.185 nan 8.290 nan 0.000 0.549 101 D N 0.149 120.555 120.400 0.009 0.000 2.501 101 D HA 0.295 4.927 4.640 -0.013 0.000 0.224 101 D C 0.491 176.553 176.300 -0.396 0.000 1.202 101 D CA 0.216 54.120 54.000 -0.159 0.000 0.829 101 D CB 0.214 40.882 40.800 -0.220 0.000 1.023 101 D HN 0.497 nan 8.370 nan 0.000 0.499 102 H N -0.575 118.495 119.070 -0.001 0.000 2.674 102 H HA 0.273 4.821 4.556 -0.013 0.000 0.235 102 H C -0.323 174.986 175.328 -0.030 0.000 1.330 102 H CA -0.327 55.713 56.048 -0.013 0.000 1.052 102 H CB 0.561 30.309 29.762 -0.024 0.000 1.954 102 H HN -0.201 nan 8.280 nan 0.000 0.566 103 V N 1.614 121.550 119.914 0.037 0.000 2.614 103 V HA 0.096 4.208 4.120 -0.013 0.000 0.291 103 V C 0.369 176.447 176.094 -0.027 0.000 1.049 103 V CA -0.408 61.874 62.300 -0.030 0.000 1.038 103 V CB 1.437 33.225 31.823 -0.060 0.000 0.980 103 V HN 0.171 nan 8.190 nan 0.000 0.481 104 V N 6.638 126.498 119.914 -0.090 0.000 2.384 104 V HA 0.421 4.533 4.120 -0.013 0.000 0.287 104 V C -0.041 175.939 176.094 -0.190 0.000 1.020 104 V CA -0.458 61.797 62.300 -0.074 0.000 0.850 104 V CB 1.444 33.223 31.823 -0.073 0.000 0.987 104 V HN 0.610 nan 8.190 nan 0.000 0.436 105 L N 5.252 126.407 121.223 -0.113 0.000 2.325 105 L HA 0.655 4.987 4.340 -0.013 0.000 0.279 105 L C -0.596 176.148 176.870 -0.210 0.000 1.054 105 L CA -0.697 54.018 54.840 -0.209 0.000 0.804 105 L CB 1.839 43.851 42.059 -0.079 0.000 1.200 105 L HN 0.351 nan 8.230 nan 0.000 0.436 106 V N 4.964 124.634 119.914 -0.405 0.000 2.380 106 V HA 0.459 4.571 4.120 -0.013 0.000 0.286 106 V C -0.215 175.724 176.094 -0.259 0.000 1.015 106 V CA -0.332 61.714 62.300 -0.425 0.000 0.834 106 V CB 1.584 32.844 31.823 -0.939 0.000 1.009 106 V HN 0.515 nan 8.190 nan 0.000 0.428 107 L N 4.053 125.314 121.223 0.064 0.000 2.354 107 L HA 0.738 5.070 4.340 -0.013 0.000 0.269 107 L C -0.931 176.209 176.870 0.452 0.000 1.005 107 L CA -0.765 54.198 54.840 0.204 0.000 0.819 107 L CB 2.356 44.384 42.059 -0.051 0.000 1.311 107 L HN 0.666 nan 8.230 nan 0.000 0.423 108 H N 0.934 120.211 119.070 0.345 0.000 2.865 108 H HA 0.371 4.919 4.556 -0.014 0.000 0.362 108 H C -0.360 175.037 175.328 0.115 0.000 1.114 108 H CA -0.031 56.148 56.048 0.218 0.000 1.208 108 H CB 1.689 31.569 29.762 0.196 0.000 1.727 108 H HN 0.757 nan 8.280 nan 0.000 0.534 109 D N 1.965 122.124 120.400 -0.401 0.000 3.528 109 D HA -0.337 4.295 4.640 -0.013 0.000 0.163 109 D C 0.708 176.829 176.300 -0.298 0.000 1.069 109 D CA 2.411 56.165 54.000 -0.410 0.000 1.082 109 D CB -1.024 39.475 40.800 -0.501 0.000 0.538 109 D HN 0.634 nan 8.370 nan 0.000 0.579 110 W N 0.204 121.342 121.300 -0.269 0.000 2.392 110 W HA 0.106 4.757 4.660 -0.015 0.000 0.279 110 W C 2.531 178.935 176.519 -0.193 0.000 1.225 110 W CA 0.891 57.998 57.345 -0.395 0.000 1.233 110 W CB -0.602 28.128 29.460 -1.217 0.000 1.122 110 W HN 0.444 nan 8.180 nan 0.000 0.561 111 G N -0.013 108.834 108.800 0.079 0.000 2.450 111 G HA2 -0.343 3.609 3.960 -0.013 0.000 0.220 111 G HA3 -0.343 3.609 3.960 -0.013 0.000 0.220 111 G C 1.576 176.532 174.900 0.095 0.000 1.130 111 G CA 1.569 46.753 45.100 0.140 0.000 0.760 111 G HN 0.341 nan 8.290 nan 0.000 0.557 112 S N 1.023 116.708 115.700 -0.026 0.000 2.387 112 S HA 0.227 4.689 4.470 -0.013 0.000 0.226 112 S C 2.628 177.075 174.600 -0.255 0.000 1.026 112 S CA 1.350 59.346 58.200 -0.340 0.000 0.972 112 S CB -0.444 62.524 63.200 -0.386 0.000 0.814 112 S HN 0.564 nan 8.310 nan 0.000 0.477 113 A N 2.238 125.132 122.820 0.124 0.000 1.883 113 A HA 0.088 4.400 4.320 -0.013 0.000 0.217 113 A C 2.354 180.217 177.584 0.465 0.000 1.186 113 A CA 1.588 53.856 52.037 0.384 0.000 0.624 113 A CB -0.992 18.364 19.000 0.594 0.000 0.822 113 A HN 0.541 nan 8.150 nan 0.000 0.444 114 L N -0.855 120.691 121.223 0.538 0.000 2.017 114 L HA -0.117 4.215 4.340 -0.013 0.000 0.208 114 L C 2.833 180.044 176.870 0.568 0.000 1.073 114 L CA 1.211 56.398 54.840 0.577 0.000 0.745 114 L CB -0.700 41.570 42.059 0.352 0.000 0.894 114 L HN 0.498 nan 8.230 nan 0.000 0.432 115 G N -0.925 108.094 108.800 0.365 0.000 2.403 115 G HA2 -0.194 3.758 3.960 -0.013 0.000 0.216 115 G HA3 -0.194 3.758 3.960 -0.013 0.000 0.216 115 G C 1.505 176.608 174.900 0.339 0.000 1.154 115 G CA 0.240 45.570 45.100 0.383 0.000 0.784 115 G HN 0.251 nan 8.290 nan 0.000 0.538 116 F N 0.817 120.810 119.950 0.072 0.000 2.134 116 F HA -0.067 4.452 4.527 -0.014 0.000 0.299 116 F C 2.523 178.299 175.800 -0.041 0.000 1.097 116 F CA 0.801 58.719 58.000 -0.138 0.000 1.264 116 F CB 0.032 38.544 39.000 -0.813 0.000 1.001 116 F HN 0.114 nan 8.300 nan 0.000 0.479 117 D N -0.259 120.303 120.400 0.269 0.000 2.097 117 D HA -0.257 4.375 4.640 -0.013 0.000 0.195 117 D C 1.943 178.531 176.300 0.480 0.000 0.989 117 D CA 1.370 55.657 54.000 0.478 0.000 0.827 117 D CB -0.499 40.726 40.800 0.709 0.000 0.966 117 D HN 0.337 nan 8.370 nan 0.000 0.456 118 W N 1.286 122.810 121.300 0.374 0.000 2.335 118 W HA -0.169 4.483 4.660 -0.014 0.000 0.311 118 W C 2.435 179.033 176.519 0.131 0.000 1.213 118 W CA 2.764 60.162 57.345 0.088 0.000 1.274 118 W CB -0.541 28.867 29.460 -0.087 0.000 1.148 118 W HN 0.070 nan 8.180 nan 0.000 0.498 119 A N -0.075 122.956 122.820 0.352 0.000 1.902 119 A HA -0.299 4.013 4.320 -0.013 0.000 0.217 119 A C 1.970 179.299 177.584 -0.426 0.000 1.181 119 A CA 1.898 53.999 52.037 0.106 0.000 0.623 119 A CB -1.389 17.856 19.000 0.408 0.000 0.818 119 A HN 0.581 nan 8.150 nan 0.000 0.443 120 N N -0.647 117.724 118.700 -0.547 0.000 2.205 120 N HA -0.196 4.536 4.740 -0.013 0.000 0.186 120 N C 1.690 176.824 175.510 -0.627 0.000 1.015 120 N CA 1.356 53.856 53.050 -0.917 0.000 0.862 120 N CB -0.103 38.155 38.487 -0.382 0.000 0.986 120 N HN 0.664 nan 8.380 nan 0.000 0.429 121 Q N -1.069 118.470 119.800 -0.435 0.000 2.424 121 Q HA -0.015 4.317 4.340 -0.013 0.000 0.204 121 Q C -0.065 175.376 176.000 -0.933 0.000 0.933 121 Q CA 0.624 56.085 55.803 -0.569 0.000 0.929 121 Q CB 0.378 28.836 28.738 -0.467 0.000 1.037 121 Q HN 0.548 nan 8.270 nan 0.000 0.511 122 H N -1.299 117.396 119.070 -0.624 0.000 2.716 122 H HA 0.268 4.816 4.556 -0.013 0.000 0.230 122 H C 0.324 175.380 175.328 -0.453 0.000 1.401 122 H CA -0.297 55.359 56.048 -0.653 0.000 1.168 122 H CB 0.436 29.474 29.762 -1.207 0.000 1.935 122 H HN 0.009 nan 8.280 nan 0.000 0.538 123 R N 0.621 120.926 120.500 -0.326 0.000 2.120 123 R HA -0.117 4.215 4.340 -0.013 0.000 0.234 123 R C 1.193 177.453 176.300 -0.066 0.000 1.123 123 R CA 1.612 57.593 56.100 -0.198 0.000 0.975 123 R CB 0.051 30.215 30.300 -0.227 0.000 0.866 123 R HN 0.504 nan 8.270 nan 0.000 0.446 124 D N 0.143 120.481 120.400 -0.102 0.000 2.363 124 D HA -0.126 4.506 4.640 -0.013 0.000 0.226 124 D C 1.173 177.414 176.300 -0.098 0.000 1.020 124 D CA 0.626 54.579 54.000 -0.079 0.000 0.892 124 D CB -0.015 40.734 40.800 -0.085 0.000 0.900 124 D HN 0.194 nan 8.370 nan 0.000 0.531 125 R N -0.232 120.213 120.500 -0.091 0.000 2.397 125 R HA 0.248 4.580 4.340 -0.013 0.000 0.241 125 R C -0.157 176.142 176.300 -0.001 0.000 0.914 125 R CA -0.102 55.952 56.100 -0.077 0.000 1.071 125 R CB 1.470 31.736 30.300 -0.058 0.000 1.116 125 R HN 0.005 nan 8.270 nan 0.000 0.524 126 V N 1.287 121.227 119.914 0.043 0.000 2.370 126 V HA 0.113 4.225 4.120 -0.013 0.000 0.283 126 V C 0.759 176.911 176.094 0.096 0.000 1.023 126 V CA -0.332 62.040 62.300 0.120 0.000 0.857 126 V CB 1.680 33.635 31.823 0.219 0.000 0.985 126 V HN 0.152 nan 8.190 nan 0.000 0.443 127 Q N 3.436 123.281 119.800 0.076 0.000 2.250 127 Q HA 0.334 4.666 4.340 -0.013 0.000 0.200 127 Q C 0.731 176.765 176.000 0.057 0.000 0.941 127 Q CA 0.992 56.829 55.803 0.056 0.000 0.872 127 Q CB 0.711 29.473 28.738 0.039 0.000 0.965 127 Q HN 0.953 nan 8.270 nan 0.000 0.480 128 G N -0.030 108.837 108.800 0.111 0.000 2.579 128 G HA2 0.467 4.419 3.960 -0.013 0.000 0.292 128 G HA3 0.467 4.419 3.960 -0.013 0.000 0.292 128 G C -1.743 173.354 174.900 0.329 0.000 1.484 128 G CA -0.774 44.465 45.100 0.231 0.000 0.813 128 G HN 0.130 nan 8.290 nan 0.000 0.515 129 I N 0.873 121.708 120.570 0.441 0.000 2.478 129 I HA 0.592 4.754 4.170 -0.013 0.000 0.287 129 I C 0.275 176.591 176.117 0.332 0.000 1.042 129 I CA -0.966 60.560 61.300 0.376 0.000 1.067 129 I CB 2.095 40.349 38.000 0.424 0.000 1.233 129 I HN 0.707 nan 8.210 nan 0.000 0.431 130 A N 7.011 129.935 122.820 0.172 0.000 2.305 130 A HA 0.917 5.229 4.320 -0.013 0.000 0.322 130 A C -0.883 176.806 177.584 0.174 0.000 1.187 130 A CA -0.270 51.756 52.037 -0.019 0.000 0.825 130 A CB 0.568 19.481 19.000 -0.144 0.000 1.164 130 A HN 0.649 nan 8.150 nan 0.000 0.498 131 F N 0.270 120.276 119.950 0.093 0.000 2.645 131 F HA 0.835 5.354 4.527 -0.014 0.000 0.310 131 F C -0.856 175.077 175.800 0.222 0.000 1.102 131 F CA -1.354 56.744 58.000 0.164 0.000 0.952 131 F CB 1.713 40.852 39.000 0.232 0.000 1.326 131 F HN 0.662 nan 8.300 nan 0.000 0.456 132 M N 0.840 120.647 119.600 0.345 0.000 2.365 132 M HA 0.475 4.947 4.480 -0.013 0.000 0.287 132 M C -1.117 175.378 176.300 0.325 0.000 1.154 132 M CA -0.533 54.908 55.300 0.236 0.000 0.941 132 M CB 2.321 34.981 32.600 0.100 0.000 1.704 132 M HN 0.800 nan 8.290 nan 0.000 0.479 133 E N 0.305 120.657 120.200 0.254 0.000 2.252 133 E HA -0.163 4.179 4.350 -0.013 0.000 0.218 133 E C -0.801 175.868 176.600 0.116 0.000 1.253 133 E CA 1.182 57.674 56.400 0.154 0.000 0.705 133 E CB -1.224 28.489 29.700 0.022 0.000 1.172 133 E HN 0.850 nan 8.360 nan 0.000 0.369 134 A N 0.410 123.357 122.820 0.212 0.000 2.322 134 A HA 0.761 5.073 4.320 -0.013 0.000 0.327 134 A C 0.348 178.019 177.584 0.145 0.000 1.134 134 A CA -0.626 51.526 52.037 0.192 0.000 0.831 134 A CB 0.985 20.232 19.000 0.412 0.000 1.288 134 A HN 0.225 nan 8.150 nan 0.000 0.472 135 I N 2.138 122.779 120.570 0.118 0.000 2.291 135 I HA 0.225 4.387 4.170 -0.013 0.000 0.292 135 I C 0.842 177.182 176.117 0.372 0.000 1.064 135 I CA -0.063 61.301 61.300 0.106 0.000 1.269 135 I CB 1.217 39.145 38.000 -0.121 0.000 1.418 135 I HN 0.539 nan 8.210 nan 0.000 0.485 136 V N 1.227 121.314 119.914 0.289 0.000 3.548 136 V HA 0.360 4.472 4.120 -0.013 0.000 0.279 136 V C 0.383 176.660 176.094 0.306 0.000 1.446 136 V CA 0.148 62.676 62.300 0.381 0.000 1.023 136 V CB 0.662 32.659 31.823 0.290 0.000 0.820 136 V HN 0.698 nan 8.190 nan 0.000 0.438 137 T N 0.708 115.336 114.554 0.125 0.000 2.886 137 T HA 0.534 4.876 4.350 -0.013 0.000 0.330 137 T C -3.179 171.484 174.700 -0.062 0.000 1.488 137 T CA -0.804 61.292 62.100 -0.007 0.000 1.054 137 T CB 2.042 70.841 68.868 -0.115 0.000 1.348 137 T HN 0.125 nan 8.240 nan 0.000 0.489 138 P HA 0.338 nan 4.420 nan 0.000 0.267 138 P C -0.695 176.544 177.300 -0.101 0.000 1.200 138 P CA 0.082 63.122 63.100 -0.101 0.000 0.772 138 P CB 0.348 31.985 31.700 -0.105 0.000 0.855 139 M N 0.901 120.436 119.600 -0.109 0.000 2.724 139 M HA 0.474 4.946 4.480 -0.013 0.000 0.310 139 M C 0.476 176.684 176.300 -0.153 0.000 1.217 139 M CA -0.518 54.719 55.300 -0.105 0.000 0.894 139 M CB 2.259 34.815 32.600 -0.073 0.000 1.719 139 M HN 0.306 nan 8.290 nan 0.000 0.479 140 T N -3.380 111.106 114.554 -0.113 0.000 2.940 140 T HA 0.385 4.727 4.350 -0.013 0.000 0.288 140 T C 0.157 174.804 174.700 -0.089 0.000 1.045 140 T CA -0.654 61.375 62.100 -0.119 0.000 1.018 140 T CB 0.882 69.741 68.868 -0.015 0.000 1.151 140 T HN 0.766 nan 8.240 nan 0.000 0.529 141 W N 0.485 121.813 121.300 0.045 0.000 2.364 141 W HA 0.057 4.717 4.660 -0.001 0.000 0.281 141 W C 2.728 179.322 176.519 0.124 0.000 1.219 141 W CA 0.758 58.152 57.345 0.081 0.000 1.220 141 W CB -0.457 29.028 29.460 0.041 0.000 1.127 141 W HN 0.920 nan 8.180 nan 0.000 0.556 142 A N 0.139 123.117 122.820 0.264 0.000 2.019 142 A HA -0.210 4.102 4.320 -0.013 0.000 0.219 142 A C 1.603 179.270 177.584 0.139 0.000 1.164 142 A CA 1.963 54.105 52.037 0.174 0.000 0.644 142 A CB -0.628 18.437 19.000 0.107 0.000 0.805 142 A HN 0.189 nan 8.150 nan 0.000 0.449 143 D N -1.892 118.586 120.400 0.128 0.000 2.317 143 D HA -0.060 4.572 4.640 -0.013 0.000 0.211 143 D C 0.462 176.821 176.300 0.098 0.000 0.966 143 D CA 0.178 54.228 54.000 0.084 0.000 0.876 143 D CB -0.132 40.699 40.800 0.052 0.000 0.927 143 D HN 0.652 nan 8.370 nan 0.000 0.519 144 W N 2.003 123.300 121.300 -0.004 0.000 2.316 144 W HA 0.187 4.836 4.660 -0.018 0.000 0.321 144 W C -2.405 174.126 176.519 0.020 0.000 1.203 144 W CA -2.115 55.223 57.345 -0.012 0.000 1.214 144 W CB 0.895 30.415 29.460 0.100 0.000 1.169 144 W HN -0.222 nan 8.180 nan 0.000 0.561 145 P HA -0.015 nan 4.420 nan 0.000 0.261 145 P C -1.957 175.347 177.300 0.007 0.000 1.183 145 P CA -0.290 62.672 63.100 -0.229 0.000 0.761 145 P CB 0.281 31.768 31.700 -0.354 0.000 0.785 146 P HA -0.240 nan 4.420 nan 0.000 0.216 146 P C 1.219 178.569 177.300 0.084 0.000 1.150 146 P CA 1.835 64.984 63.100 0.082 0.000 0.843 146 P CB -0.265 31.462 31.700 0.045 0.000 0.787 147 A N -0.642 122.211 122.820 0.055 0.000 2.019 147 A HA -0.102 4.210 4.320 -0.013 0.000 0.219 147 A C 1.779 179.426 177.584 0.105 0.000 1.164 147 A CA 2.030 54.102 52.037 0.057 0.000 0.644 147 A CB -1.206 17.815 19.000 0.036 0.000 0.805 147 A HN 0.254 nan 8.150 nan 0.000 0.449 148 V N -4.569 115.459 119.914 0.191 0.000 3.159 148 V HA 0.292 4.404 4.120 -0.013 0.000 0.333 148 V C 1.332 177.736 176.094 0.518 0.000 1.424 148 V CA -0.002 62.505 62.300 0.345 0.000 1.125 148 V CB -0.486 31.607 31.823 0.451 0.000 1.075 148 V HN 0.387 nan 8.190 nan 0.000 0.482 149 R N 1.739 122.460 120.500 0.368 0.000 2.080 149 R HA -0.015 4.317 4.340 -0.013 0.000 0.236 149 R C 2.431 178.685 176.300 -0.077 0.000 1.137 149 R CA 2.088 58.305 56.100 0.196 0.000 0.943 149 R CB -0.767 29.571 30.300 0.064 0.000 0.846 149 R HN 0.608 nan 8.270 nan 0.000 0.431 150 G N 0.421 109.183 108.800 -0.063 0.000 2.418 150 G HA2 -0.258 3.694 3.960 -0.013 0.000 0.217 150 G HA3 -0.258 3.694 3.960 -0.013 0.000 0.217 150 G C 1.447 176.273 174.900 -0.123 0.000 1.158 150 G CA 0.760 45.782 45.100 -0.131 0.000 0.771 150 G HN 0.245 nan 8.290 nan 0.000 0.545 151 V N -0.001 119.873 119.914 -0.068 0.000 2.287 151 V HA -0.122 3.990 4.120 -0.013 0.000 0.248 151 V C 2.542 178.454 176.094 -0.303 0.000 1.053 151 V CA 2.060 64.213 62.300 -0.246 0.000 1.027 151 V CB -0.450 31.236 31.823 -0.228 0.000 0.646 151 V HN 0.370 nan 8.190 nan 0.000 0.447 152 F N 0.498 120.463 119.950 0.026 0.000 2.186 152 F HA -0.112 4.405 4.527 -0.017 0.000 0.299 152 F C 2.902 178.818 175.800 0.193 0.000 1.090 152 F CA 1.946 60.095 58.000 0.250 0.000 1.307 152 F CB -0.947 38.237 39.000 0.306 0.000 1.019 152 F HN 0.331 nan 8.300 nan 0.000 0.489 153 Q N 0.663 120.497 119.800 0.056 0.000 2.124 153 Q HA -0.078 4.254 4.340 -0.013 0.000 0.202 153 Q C 2.448 178.451 176.000 0.005 0.000 0.977 153 Q CA 1.635 57.414 55.803 -0.040 0.000 0.850 153 Q CB -1.923 26.594 28.738 -0.369 0.000 0.901 153 Q HN 0.477 nan 8.270 nan 0.000 0.429 154 G N -0.560 108.181 108.800 -0.098 0.000 2.421 154 G HA2 -0.170 3.782 3.960 -0.013 0.000 0.216 154 G HA3 -0.170 3.782 3.960 -0.013 0.000 0.216 154 G C 1.505 176.379 174.900 -0.042 0.000 1.171 154 G CA 0.956 45.977 45.100 -0.130 0.000 0.775 154 G HN 0.604 nan 8.290 nan 0.000 0.543 155 F N 0.692 120.648 119.950 0.010 0.000 2.161 155 F HA -0.002 4.521 4.527 -0.007 0.000 0.300 155 F C 2.227 178.072 175.800 0.074 0.000 1.089 155 F CA 0.619 58.638 58.000 0.032 0.000 1.282 155 F CB 0.073 39.084 39.000 0.018 0.000 1.010 155 F HN -0.045 nan 8.300 nan 0.000 0.485 156 R N 0.731 121.408 120.500 0.294 0.000 4.609 156 R HA 0.146 4.478 4.340 -0.013 0.000 0.235 156 R C -0.380 176.009 176.300 0.148 0.000 1.836 156 R CA 0.068 56.304 56.100 0.228 0.000 1.564 156 R CB -0.167 30.299 30.300 0.277 0.000 1.382 156 R HN 0.175 nan 8.270 nan 0.000 0.776 157 S N -2.361 113.411 115.700 0.120 0.000 2.661 157 S HA 0.326 4.788 4.470 -0.013 0.000 0.268 157 S C -2.562 172.079 174.600 0.068 0.000 1.162 157 S CA -1.243 57.002 58.200 0.075 0.000 0.817 157 S CB 1.755 64.981 63.200 0.044 0.000 1.141 157 S HN -0.169 nan 8.310 nan 0.000 0.477 158 P HA 0.020 nan 4.420 nan 0.000 0.225 158 P C 1.179 178.502 177.300 0.039 0.000 1.148 158 P CA 0.892 64.016 63.100 0.040 0.000 0.779 158 P CB 0.035 31.752 31.700 0.028 0.000 0.780 159 Q N -1.018 118.802 119.800 0.033 0.000 2.437 159 Q HA -0.017 4.315 4.340 -0.013 0.000 0.210 159 Q C 2.204 178.237 176.000 0.056 0.000 0.972 159 Q CA 1.319 57.139 55.803 0.027 0.000 0.903 159 Q CB -0.881 27.855 28.738 -0.003 0.000 0.967 159 Q HN 0.294 nan 8.270 nan 0.000 0.486 160 G N 1.029 109.887 108.800 0.098 0.000 2.442 160 G HA2 -0.279 3.673 3.960 -0.013 0.000 0.219 160 G HA3 -0.279 3.673 3.960 -0.013 0.000 0.219 160 G C 1.246 176.246 174.900 0.168 0.000 1.141 160 G CA 0.779 46.002 45.100 0.206 0.000 0.763 160 G HN 0.306 nan 8.290 nan 0.000 0.554 161 E N 0.781 121.034 120.200 0.088 0.000 2.023 161 E HA -0.086 4.256 4.350 -0.013 0.000 0.196 161 E C 0.347 176.958 176.600 0.018 0.000 1.003 161 E CA 1.835 58.263 56.400 0.045 0.000 0.809 161 E CB -0.732 28.981 29.700 0.023 0.000 0.755 161 E HN 0.373 nan 8.360 nan 0.000 0.449 162 P HA -0.157 nan 4.420 nan 0.000 0.217 162 P C 1.301 178.566 177.300 -0.058 0.000 1.150 162 P CA 1.464 64.513 63.100 -0.085 0.000 0.832 162 P CB -0.060 31.618 31.700 -0.037 0.000 0.787 163 M N -0.451 119.209 119.600 0.099 0.000 2.073 163 M HA -0.180 4.292 4.480 -0.013 0.000 0.258 163 M C 2.308 178.752 176.300 0.240 0.000 1.070 163 M CA 2.573 57.986 55.300 0.187 0.000 1.103 163 M CB -0.916 31.740 32.600 0.094 0.000 1.321 163 M HN -0.053 nan 8.290 nan 0.000 0.405 164 A N -0.115 122.850 122.820 0.241 0.000 1.871 164 A HA 0.064 4.376 4.320 -0.013 0.000 0.211 164 A C 2.032 179.636 177.584 0.033 0.000 1.207 164 A CA 0.693 52.825 52.037 0.157 0.000 0.620 164 A CB -0.692 18.345 19.000 0.062 0.000 0.860 164 A HN 0.402 nan 8.150 nan 0.000 0.450 165 L N -0.835 120.386 121.223 -0.003 0.000 2.056 165 L HA -0.108 4.224 4.340 -0.013 0.000 0.207 165 L C 2.640 179.476 176.870 -0.058 0.000 1.078 165 L CA 1.902 56.725 54.840 -0.030 0.000 0.749 165 L CB -0.447 41.596 42.059 -0.026 0.000 0.901 165 L HN 0.590 nan 8.230 nan 0.000 0.433 166 E N -0.935 119.176 120.200 -0.147 0.000 2.099 166 E HA -0.119 4.223 4.350 -0.013 0.000 0.191 166 E C 1.950 178.422 176.600 -0.213 0.000 0.962 166 E CA 0.426 56.669 56.400 -0.261 0.000 0.826 166 E CB 0.288 29.669 29.700 -0.531 0.000 0.788 166 E HN 0.501 nan 8.360 nan 0.000 0.461 167 H N -0.237 118.859 119.070 0.044 0.000 2.575 167 H HA 0.137 4.686 4.556 -0.012 0.000 0.267 167 H C 0.500 175.860 175.328 0.054 0.000 0.966 167 H CA 0.471 56.544 56.048 0.041 0.000 1.165 167 H CB 0.301 30.081 29.762 0.029 0.000 1.433 167 H HN 0.172 nan 8.280 nan 0.000 0.544 168 N N 0.639 119.427 118.700 0.145 0.000 2.740 168 N HA -0.185 4.547 4.740 -0.013 0.000 0.248 168 N C 0.843 176.443 175.510 0.149 0.000 1.062 168 N CA 0.271 53.388 53.050 0.111 0.000 0.704 168 N CB -1.720 36.825 38.487 0.096 0.000 0.968 168 N HN 0.382 nan 8.380 nan 0.000 0.547 169 I N -0.959 119.738 120.570 0.211 0.000 2.361 169 I HA -0.253 3.909 4.170 -0.013 0.000 0.251 169 I C 1.918 178.163 176.117 0.213 0.000 1.133 169 I CA 0.901 62.316 61.300 0.191 0.000 1.413 169 I CB -0.258 37.830 38.000 0.147 0.000 1.073 169 I HN 0.198 nan 8.210 nan 0.000 0.424 170 F N 0.740 120.794 119.950 0.174 0.000 2.146 170 F HA -0.186 4.335 4.527 -0.010 0.000 0.298 170 F C 2.334 178.154 175.800 0.033 0.000 1.096 170 F CA 1.466 59.519 58.000 0.088 0.000 1.275 170 F CB -0.345 38.566 39.000 -0.147 0.000 1.008 170 F HN -0.221 nan 8.300 nan 0.000 0.480 171 V N -0.277 119.760 119.914 0.205 0.000 2.323 171 V HA -0.204 3.909 4.120 -0.013 0.000 0.244 171 V C 2.260 178.405 176.094 0.084 0.000 1.041 171 V CA 1.915 64.290 62.300 0.124 0.000 1.025 171 V CB -0.500 31.389 31.823 0.110 0.000 0.656 171 V HN 0.218 nan 8.190 nan 0.000 0.451 172 E N -0.271 119.981 120.200 0.087 0.000 2.216 172 E HA -0.048 4.295 4.350 -0.013 0.000 0.192 172 E C 2.287 178.911 176.600 0.040 0.000 0.988 172 E CA 0.679 57.116 56.400 0.061 0.000 0.834 172 E CB 0.067 29.806 29.700 0.064 0.000 0.772 172 E HN 0.464 nan 8.360 nan 0.000 0.479 173 R N -0.333 120.191 120.500 0.041 0.000 2.197 173 R HA 0.167 4.499 4.340 -0.013 0.000 0.188 173 R C 2.459 178.775 176.300 0.026 0.000 1.015 173 R CA 0.308 56.421 56.100 0.021 0.000 1.132 173 R CB -0.873 29.429 30.300 0.002 0.000 1.134 173 R HN -0.029 nan 8.270 nan 0.000 0.560 174 V N 2.717 122.633 119.914 0.005 0.000 2.358 174 V HA -0.188 3.924 4.120 -0.013 0.000 0.246 174 V C 2.460 178.660 176.094 0.177 0.000 1.047 174 V CA 1.610 63.926 62.300 0.027 0.000 1.035 174 V CB -0.623 31.010 31.823 -0.316 0.000 0.658 174 V HN 0.095 nan 8.190 nan 0.000 0.452 175 L N 1.784 123.066 121.223 0.099 0.000 1.976 175 L HA -0.048 4.284 4.340 -0.013 0.000 0.209 175 L C -0.067 176.739 176.870 -0.107 0.000 1.071 175 L CA 2.538 57.278 54.840 -0.166 0.000 0.746 175 L CB -1.863 39.969 42.059 -0.378 0.000 0.890 175 L HN 0.265 nan 8.230 nan 0.000 0.432 176 P HA -0.054 nan 4.420 nan 0.000 0.221 176 P C 1.565 178.890 177.300 0.043 0.000 1.150 176 P CA 1.741 64.831 63.100 -0.017 0.000 0.800 176 P CB -0.437 31.257 31.700 -0.010 0.000 0.787 177 G N 0.101 108.944 108.800 0.072 0.000 2.509 177 G HA2 -0.017 3.935 3.960 -0.013 0.000 0.218 177 G HA3 -0.017 3.935 3.960 -0.013 0.000 0.218 177 G C 1.187 176.160 174.900 0.121 0.000 1.124 177 G CA 0.657 45.806 45.100 0.083 0.000 0.776 177 G HN 0.417 nan 8.290 nan 0.000 0.547 178 A N -0.071 122.877 122.820 0.214 0.000 2.676 178 A HA 0.675 4.987 4.320 -0.013 0.000 0.297 178 A C -0.017 177.752 177.584 0.310 0.000 1.132 178 A CA -0.384 51.816 52.037 0.270 0.000 0.972 178 A CB 0.118 19.338 19.000 0.368 0.000 1.197 178 A HN 0.207 nan 8.150 nan 0.000 0.524 179 I N -0.081 120.598 120.570 0.183 0.000 2.498 179 I HA 0.262 4.424 4.170 -0.013 0.000 0.290 179 I C 0.861 177.003 176.117 0.042 0.000 1.032 179 I CA -0.545 60.816 61.300 0.102 0.000 1.073 179 I CB 2.118 40.143 38.000 0.041 0.000 1.251 179 I HN 0.161 nan 8.210 nan 0.000 0.426 180 L N 4.427 125.663 121.223 0.023 0.000 2.072 180 L HA -0.012 4.320 4.340 -0.013 0.000 0.205 180 L C 1.552 178.413 176.870 -0.014 0.000 1.079 180 L CA 1.039 55.884 54.840 0.009 0.000 0.752 180 L CB -0.402 41.664 42.059 0.012 0.000 0.906 180 L HN 0.653 nan 8.230 nan 0.000 0.436 181 R N 0.715 121.184 120.500 -0.051 0.000 2.652 181 R HA 0.432 4.764 4.340 -0.013 0.000 0.271 181 R C -0.079 176.172 176.300 -0.082 0.000 1.129 181 R CA -0.165 55.882 56.100 -0.089 0.000 1.200 181 R CB 0.124 30.301 30.300 -0.205 0.000 1.146 181 R HN 0.007 nan 8.270 nan 0.000 0.581 182 Q N 2.343 122.098 119.800 -0.077 0.000 2.303 182 Q HA 0.336 4.668 4.340 -0.013 0.000 0.257 182 Q C 0.040 175.994 176.000 -0.076 0.000 0.941 182 Q CA -0.662 55.109 55.803 -0.053 0.000 0.931 182 Q CB 0.610 29.333 28.738 -0.026 0.000 1.215 182 Q HN 0.547 nan 8.270 nan 0.000 0.437 183 L N 2.169 123.360 121.223 -0.053 0.000 2.483 183 L HA 0.196 4.528 4.340 -0.013 0.000 0.275 183 L C 1.338 178.210 176.870 0.004 0.000 1.220 183 L CA -0.198 54.626 54.840 -0.027 0.000 0.833 183 L CB 0.836 42.924 42.059 0.048 0.000 1.102 183 L HN 0.960 nan 8.230 nan 0.000 0.490 184 S N 0.182 115.896 115.700 0.023 0.000 2.593 184 S HA 0.038 4.501 4.470 -0.013 0.000 0.269 184 S C 0.624 175.258 174.600 0.056 0.000 1.334 184 S CA -0.765 57.460 58.200 0.042 0.000 1.015 184 S CB 1.107 64.344 63.200 0.060 0.000 0.912 184 S HN 0.585 nan 8.310 nan 0.000 0.541 185 D N 1.068 121.494 120.400 0.043 0.000 2.133 185 D HA -0.105 4.528 4.640 -0.013 0.000 0.195 185 D C 2.093 178.417 176.300 0.040 0.000 0.997 185 D CA 1.603 55.625 54.000 0.036 0.000 0.840 185 D CB -0.662 40.151 40.800 0.022 0.000 0.947 185 D HN 0.714 nan 8.370 nan 0.000 0.452 186 E N 0.563 120.795 120.200 0.053 0.000 2.058 186 E HA -0.212 4.130 4.350 -0.013 0.000 0.194 186 E C 1.941 178.617 176.600 0.127 0.000 0.997 186 E CA 1.560 57.998 56.400 0.063 0.000 0.801 186 E CB -0.249 29.506 29.700 0.092 0.000 0.746 186 E HN 0.503 nan 8.360 nan 0.000 0.450 187 E N -0.715 119.589 120.200 0.174 0.000 2.051 187 E HA -0.177 4.165 4.350 -0.013 0.000 0.192 187 E C 2.184 178.891 176.600 0.179 0.000 0.991 187 E CA 1.655 58.196 56.400 0.236 0.000 0.799 187 E CB -0.331 29.515 29.700 0.243 0.000 0.748 187 E HN 0.303 nan 8.360 nan 0.000 0.449 188 M N 1.387 121.088 119.600 0.168 0.000 2.149 188 M HA -0.144 4.328 4.480 -0.013 0.000 0.261 188 M C 1.358 177.718 176.300 0.099 0.000 1.064 188 M CA 1.471 56.877 55.300 0.175 0.000 1.102 188 M CB -0.091 32.573 32.600 0.107 0.000 1.369 188 M HN -0.062 nan 8.290 nan 0.000 0.408 189 N N -0.871 117.832 118.700 0.006 0.000 2.331 189 N HA -0.130 4.602 4.740 -0.013 0.000 0.180 189 N C 1.674 177.063 175.510 -0.202 0.000 1.019 189 N CA 1.017 54.019 53.050 -0.080 0.000 0.881 189 N CB -0.558 37.860 38.487 -0.115 0.000 0.972 189 N HN 0.567 nan 8.380 nan 0.000 0.435 190 H N -0.550 118.321 119.070 -0.331 0.000 2.357 190 H HA -0.052 4.496 4.556 -0.014 0.000 0.301 190 H C 1.474 176.480 175.328 -0.538 0.000 1.082 190 H CA 1.119 56.779 56.048 -0.647 0.000 1.342 190 H CB -0.184 28.685 29.762 -1.488 0.000 1.389 190 H HN 0.384 nan 8.280 nan 0.000 0.511 191 Y N 0.807 121.019 120.300 -0.148 0.000 2.293 191 Y HA -0.125 4.418 4.550 -0.012 0.000 0.291 191 Y C 2.735 178.659 175.900 0.040 0.000 1.137 191 Y CA 0.667 58.747 58.100 -0.032 0.000 1.202 191 Y CB 0.083 38.555 38.460 0.020 0.000 0.990 191 Y HN 0.026 nan 8.280 nan 0.000 0.537 192 R N -0.242 120.352 120.500 0.158 0.000 2.148 192 R HA -0.104 4.228 4.340 -0.013 0.000 0.223 192 R C 2.285 178.611 176.300 0.044 0.000 1.088 192 R CA 0.629 56.816 56.100 0.146 0.000 0.985 192 R CB -0.208 30.144 30.300 0.087 0.000 0.880 192 R HN 0.265 nan 8.270 nan 0.000 0.451 193 R N 1.194 121.651 120.500 -0.072 0.000 2.113 193 R HA -0.136 4.196 4.340 -0.013 0.000 0.244 193 R C -0.817 175.362 176.300 -0.202 0.000 1.142 193 R CA 1.693 57.711 56.100 -0.138 0.000 0.953 193 R CB -0.899 29.293 30.300 -0.179 0.000 0.860 193 R HN 0.148 nan 8.270 nan 0.000 0.438 194 P HA -0.061 nan 4.420 nan 0.000 0.234 194 P C -0.069 176.787 177.300 -0.738 0.000 1.167 194 P CA 1.194 63.885 63.100 -0.682 0.000 0.763 194 P CB 0.115 31.154 31.700 -1.102 0.000 0.835 195 F N -2.437 117.514 119.950 0.002 0.000 2.775 195 F HA 0.089 4.609 4.527 -0.012 0.000 0.313 195 F C 1.806 177.609 175.800 0.005 0.000 1.121 195 F CA -0.458 57.543 58.000 0.003 0.000 1.206 195 F CB -0.053 38.957 39.000 0.016 0.000 1.052 195 F HN -0.289 nan 8.300 nan 0.000 0.524 196 V N -1.750 118.218 119.914 0.090 0.000 2.490 196 V HA -0.170 3.942 4.120 -0.013 0.000 0.250 196 V C 0.580 176.712 176.094 0.063 0.000 1.061 196 V CA 1.228 63.566 62.300 0.064 0.000 1.064 196 V CB -0.959 30.872 31.823 0.014 0.000 0.670 196 V HN 0.292 nan 8.190 nan 0.000 0.461 197 N N 1.778 120.513 118.700 0.058 0.000 2.442 197 N HA 0.484 5.216 4.740 -0.013 0.000 0.265 197 N C 0.536 176.083 175.510 0.062 0.000 1.138 197 N CA 0.222 53.301 53.050 0.048 0.000 0.956 197 N CB 1.043 39.550 38.487 0.034 0.000 1.067 197 N HN 0.616 nan 8.380 nan 0.000 0.474 198 G N 1.097 109.924 108.800 0.044 0.000 2.559 198 G HA2 0.422 4.374 3.960 -0.013 0.000 0.235 198 G HA3 0.422 4.374 3.960 -0.013 0.000 0.235 198 G C 0.677 175.591 174.900 0.023 0.000 1.266 198 G CA 0.273 45.391 45.100 0.031 0.000 0.847 198 G HN 0.818 nan 8.290 nan 0.000 0.583 199 G N 0.624 109.431 108.800 0.012 0.000 2.416 199 G HA2 -0.179 3.773 3.960 -0.013 0.000 0.203 199 G HA3 -0.179 3.773 3.960 -0.013 0.000 0.203 199 G C 0.720 175.632 174.900 0.021 0.000 1.227 199 G CA 0.327 45.434 45.100 0.011 0.000 1.041 199 G HN 0.559 nan 8.290 nan 0.000 0.546 200 E N 0.477 120.695 120.200 0.029 0.000 2.338 200 E HA -0.049 4.293 4.350 -0.013 0.000 0.197 200 E C 1.901 178.538 176.600 0.061 0.000 1.007 200 E CA 1.237 57.663 56.400 0.044 0.000 0.849 200 E CB -0.255 29.479 29.700 0.056 0.000 0.774 200 E HN 0.470 nan 8.360 nan 0.000 0.506 201 D N 0.510 120.953 120.400 0.072 0.000 2.221 201 D HA -0.138 4.494 4.640 -0.013 0.000 0.204 201 D C 1.485 177.893 176.300 0.180 0.000 0.982 201 D CA 0.802 54.868 54.000 0.111 0.000 0.857 201 D CB -0.111 40.753 40.800 0.106 0.000 0.934 201 D HN 0.134 nan 8.370 nan 0.000 0.475 202 R N -0.264 120.293 120.500 0.096 0.000 2.310 202 R HA 0.131 4.463 4.340 -0.013 0.000 0.202 202 R C 1.823 178.007 176.300 -0.193 0.000 0.933 202 R CA -0.120 55.946 56.100 -0.056 0.000 1.054 202 R CB 0.236 30.491 30.300 -0.075 0.000 0.985 202 R HN -0.077 nan 8.270 nan 0.000 0.489 203 R N 1.922 122.328 120.500 -0.157 0.000 2.103 203 R HA -0.093 4.239 4.340 -0.013 0.000 0.242 203 R C -0.975 175.075 176.300 -0.417 0.000 1.142 203 R CA 1.679 57.657 56.100 -0.204 0.000 0.960 203 R CB -1.192 29.089 30.300 -0.032 0.000 0.858 203 R HN 0.114 nan 8.270 nan 0.000 0.439 204 P HA -0.122 nan 4.420 nan 0.000 0.218 204 P C 0.929 177.966 177.300 -0.440 0.000 1.148 204 P CA 2.086 64.742 63.100 -0.741 0.000 0.822 204 P CB -0.411 30.872 31.700 -0.696 0.000 0.784 205 T N -3.584 110.702 114.554 -0.447 0.000 3.035 205 T HA -0.074 4.268 4.350 -0.013 0.000 0.268 205 T C 1.584 175.995 174.700 -0.480 0.000 1.109 205 T CA 0.623 62.412 62.100 -0.517 0.000 1.119 205 T CB -0.778 67.702 68.868 -0.647 0.000 0.900 205 T HN -0.050 nan 8.240 nan 0.000 0.503 206 L N 0.842 121.857 121.223 -0.347 0.000 2.200 206 L HA 0.400 4.732 4.340 -0.013 0.000 0.200 206 L C 2.581 179.355 176.870 -0.160 0.000 1.072 206 L CA 1.184 55.868 54.840 -0.260 0.000 0.787 206 L CB -0.749 41.232 42.059 -0.129 0.000 0.957 206 L HN 0.162 nan 8.230 nan 0.000 0.459 207 S N -0.743 114.841 115.700 -0.194 0.000 2.383 207 S HA -0.218 4.244 4.470 -0.013 0.000 0.229 207 S C 1.645 176.150 174.600 -0.159 0.000 1.030 207 S CA 1.795 59.883 58.200 -0.186 0.000 1.002 207 S CB -0.622 62.420 63.200 -0.263 0.000 0.829 207 S HN 0.580 nan 8.310 nan 0.000 0.467 208 W N 2.142 123.281 121.300 -0.269 0.000 2.333 208 W HA -0.113 4.539 4.660 -0.014 0.000 0.316 208 W C -0.597 175.942 176.519 0.034 0.000 1.215 208 W CA 0.667 57.801 57.345 -0.351 0.000 1.278 208 W CB -1.301 27.918 29.460 -0.401 0.000 1.154 208 W HN 0.270 nan 8.180 nan 0.000 0.486 209 P HA -0.129 nan 4.420 nan 0.000 0.220 209 P C 0.805 178.336 177.300 0.385 0.000 1.148 209 P CA 1.587 64.999 63.100 0.520 0.000 0.803 209 P CB -0.226 31.755 31.700 0.469 0.000 0.782 210 R N -0.446 120.200 120.500 0.243 0.000 2.285 210 R HA -0.027 4.305 4.340 -0.013 0.000 0.213 210 R C 1.375 177.788 176.300 0.189 0.000 1.068 210 R CA 0.884 57.097 56.100 0.188 0.000 1.004 210 R CB -0.599 29.767 30.300 0.110 0.000 0.873 210 R HN 0.242 nan 8.270 nan 0.000 0.467 211 N N -0.200 118.651 118.700 0.252 0.000 2.353 211 N HA 0.079 4.811 4.740 -0.013 0.000 0.185 211 N C -0.251 175.582 175.510 0.539 0.000 1.098 211 N CA 0.046 53.272 53.050 0.294 0.000 0.872 211 N CB 0.322 38.879 38.487 0.116 0.000 0.970 211 N HN 0.009 nan 8.380 nan 0.000 0.467 212 L N 2.283 123.851 121.223 0.575 0.000 2.525 212 L HA 0.116 4.448 4.340 -0.013 0.000 0.278 212 L C -1.901 175.039 176.870 0.116 0.000 1.218 212 L CA -1.161 53.902 54.840 0.372 0.000 0.878 212 L CB 0.217 42.340 42.059 0.107 0.000 1.127 212 L HN -0.034 nan 8.230 nan 0.000 0.492 213 P HA 0.278 nan 4.420 nan 0.000 0.266 213 P C -0.791 176.420 177.300 -0.148 0.000 1.586 213 P CA 0.152 63.232 63.100 -0.034 0.000 1.088 213 P CB 0.082 31.766 31.700 -0.028 0.000 1.584 214 I N 2.095 122.531 120.570 -0.224 0.000 2.466 214 I HA 0.211 4.373 4.170 -0.013 0.000 0.289 214 I C 0.054 175.996 176.117 -0.291 0.000 1.026 214 I CA -0.746 60.305 61.300 -0.415 0.000 1.078 214 I CB 1.611 39.072 38.000 -0.898 0.000 1.249 214 I HN 0.076 nan 8.210 nan 0.000 0.429 215 D N 5.166 125.421 120.400 -0.241 0.000 2.701 215 D HA -0.194 4.438 4.640 -0.013 0.000 0.235 215 D C 1.094 177.360 176.300 -0.057 0.000 1.155 215 D CA 1.933 55.870 54.000 -0.105 0.000 0.649 215 D CB -0.866 39.913 40.800 -0.034 0.000 1.050 215 D HN 1.151 nan 8.370 nan 0.000 0.425 216 G N -0.825 107.935 108.800 -0.066 0.000 2.176 216 G HA2 -0.307 3.645 3.960 -0.013 0.000 0.253 216 G HA3 -0.307 3.645 3.960 -0.013 0.000 0.253 216 G C 0.040 174.926 174.900 -0.023 0.000 0.979 216 G CA 0.402 45.479 45.100 -0.039 0.000 0.641 216 G HN 0.512 nan 8.290 nan 0.000 0.530 217 E N 0.706 120.891 120.200 -0.024 0.000 2.317 217 E HA 0.490 4.832 4.350 -0.013 0.000 0.270 217 E C -2.866 173.743 176.600 0.014 0.000 0.885 217 E CA -2.266 54.137 56.400 0.005 0.000 0.760 217 E CB 2.881 32.596 29.700 0.025 0.000 1.227 217 E HN 0.113 nan 8.360 nan 0.000 0.434 218 P HA 0.042 nan 4.420 nan 0.000 0.275 218 P C -0.000 177.317 177.300 0.028 0.000 1.227 218 P CA 0.005 63.132 63.100 0.044 0.000 0.781 218 P CB 1.182 32.921 31.700 0.064 0.000 0.906 219 A N 3.744 126.576 122.820 0.019 0.000 1.972 219 A HA -0.200 4.112 4.320 -0.013 0.000 0.219 219 A C 1.865 179.452 177.584 0.006 0.000 1.169 219 A CA 1.511 53.552 52.037 0.006 0.000 0.635 219 A CB -0.997 18.006 19.000 0.005 0.000 0.810 219 A HN 0.666 nan 8.150 nan 0.000 0.446 220 E N 0.143 120.354 120.200 0.018 0.000 2.204 220 E HA -0.089 4.253 4.350 -0.013 0.000 0.194 220 E C 1.724 178.328 176.600 0.007 0.000 0.989 220 E CA 1.542 57.953 56.400 0.019 0.000 0.824 220 E CB -0.722 29.001 29.700 0.038 0.000 0.756 220 E HN 0.366 nan 8.360 nan 0.000 0.477 221 V N 1.275 121.200 119.914 0.018 0.000 2.725 221 V HA -0.115 3.997 4.120 -0.013 0.000 0.247 221 V C 2.611 178.686 176.094 -0.031 0.000 1.058 221 V CA 0.830 63.130 62.300 0.001 0.000 1.080 221 V CB 0.093 31.983 31.823 0.111 0.000 0.713 221 V HN 0.067 nan 8.190 nan 0.000 0.465 222 V N 0.799 120.697 119.914 -0.026 0.000 2.332 222 V HA -0.284 3.828 4.120 -0.013 0.000 0.248 222 V C 2.754 178.798 176.094 -0.084 0.000 1.055 222 V CA 2.210 64.475 62.300 -0.059 0.000 1.038 222 V CB -1.052 30.744 31.823 -0.046 0.000 0.651 222 V HN 0.558 nan 8.190 nan 0.000 0.450 223 A N -0.153 122.631 122.820 -0.059 0.000 1.902 223 A HA -0.205 4.107 4.320 -0.013 0.000 0.217 223 A C 2.177 179.711 177.584 -0.083 0.000 1.181 223 A CA 2.142 54.144 52.037 -0.058 0.000 0.623 223 A CB -0.594 18.389 19.000 -0.027 0.000 0.818 223 A HN 0.491 nan 8.150 nan 0.000 0.443 224 L N 0.022 121.194 121.223 -0.085 0.000 2.012 224 L HA -0.127 4.205 4.340 -0.013 0.000 0.210 224 L C 2.314 179.014 176.870 -0.284 0.000 1.073 224 L CA 2.181 56.969 54.840 -0.087 0.000 0.748 224 L CB -0.518 41.484 42.059 -0.094 0.000 0.891 224 L HN 0.141 nan 8.230 nan 0.000 0.431 225 V N 0.365 120.027 119.914 -0.419 0.000 2.358 225 V HA -0.246 3.866 4.120 -0.013 0.000 0.246 225 V C 2.406 178.130 176.094 -0.617 0.000 1.047 225 V CA 1.850 63.644 62.300 -0.844 0.000 1.035 225 V CB -1.050 30.509 31.823 -0.439 0.000 0.658 225 V HN 0.516 nan 8.190 nan 0.000 0.452 226 N N 0.079 118.600 118.700 -0.298 0.000 2.205 226 N HA -0.171 4.561 4.740 -0.013 0.000 0.186 226 N C 2.034 177.461 175.510 -0.138 0.000 1.015 226 N CA 1.554 54.498 53.050 -0.177 0.000 0.862 226 N CB -0.270 38.150 38.487 -0.112 0.000 0.986 226 N HN 0.602 nan 8.380 nan 0.000 0.429 227 E N 0.666 120.788 120.200 -0.129 0.000 2.028 227 E HA -0.139 4.203 4.350 -0.013 0.000 0.190 227 E C 2.079 178.709 176.600 0.051 0.000 0.984 227 E CA 1.254 57.638 56.400 -0.027 0.000 0.800 227 E CB -0.702 29.003 29.700 0.009 0.000 0.758 227 E HN 0.740 nan 8.360 nan 0.000 0.448 228 Y N 0.944 121.289 120.300 0.075 0.000 2.293 228 Y HA 0.055 4.597 4.550 -0.014 0.000 0.291 228 Y C 2.404 178.326 175.900 0.036 0.000 1.137 228 Y CA 1.443 59.616 58.100 0.122 0.000 1.202 228 Y CB -0.563 38.009 38.460 0.188 0.000 0.990 228 Y HN 0.180 nan 8.280 nan 0.000 0.537 229 R N 0.589 121.109 120.500 0.032 0.000 2.153 229 R HA -0.050 4.282 4.340 -0.013 0.000 0.218 229 R C 2.218 178.470 176.300 -0.080 0.000 1.072 229 R CA 1.153 57.238 56.100 -0.026 0.000 0.990 229 R CB -0.726 29.621 30.300 0.078 0.000 0.889 229 R HN 0.310 nan 8.270 nan 0.000 0.452 230 S N 0.476 116.173 115.700 -0.006 0.000 2.382 230 S HA -0.158 4.304 4.470 -0.013 0.000 0.228 230 S C 1.463 176.056 174.600 -0.012 0.000 1.027 230 S CA 1.065 59.262 58.200 -0.005 0.000 0.991 230 S CB -0.353 62.861 63.200 0.024 0.000 0.823 230 S HN 0.690 nan 8.310 nan 0.000 0.469 231 W N 1.857 123.068 121.300 -0.147 0.000 2.407 231 W HA 0.077 4.729 4.660 -0.014 0.000 0.305 231 W C 1.702 178.041 176.519 -0.301 0.000 1.196 231 W CA 1.063 58.308 57.345 -0.167 0.000 1.311 231 W CB -0.742 28.655 29.460 -0.105 0.000 1.135 231 W HN 0.264 nan 8.180 nan 0.000 0.514 232 L N 0.732 121.512 121.223 -0.738 0.000 2.079 232 L HA -0.242 4.090 4.340 -0.013 0.000 0.210 232 L C 2.396 178.473 176.870 -1.322 0.000 1.081 232 L CA 1.924 55.953 54.840 -1.350 0.000 0.752 232 L CB -0.856 40.205 42.059 -1.664 0.000 0.896 232 L HN 0.061 nan 8.230 nan 0.000 0.433 233 E N -0.301 119.288 120.200 -1.018 0.000 2.204 233 E HA -0.206 4.136 4.350 -0.013 0.000 0.195 233 E C 1.642 177.991 176.600 -0.417 0.000 0.990 233 E CA 1.056 57.038 56.400 -0.697 0.000 0.821 233 E CB 0.124 29.657 29.700 -0.278 0.000 0.750 233 E HN 0.559 nan 8.360 nan 0.000 0.477 234 E N -0.357 119.610 120.200 -0.388 0.000 2.490 234 E HA 0.040 4.383 4.350 -0.013 0.000 0.209 234 E C 0.298 176.741 176.600 -0.262 0.000 0.971 234 E CA -0.074 56.186 56.400 -0.233 0.000 0.988 234 E CB 0.922 30.545 29.700 -0.128 0.000 1.029 234 E HN -0.080 nan 8.360 nan 0.000 0.496 235 T N 1.008 115.286 114.554 -0.461 0.000 2.907 235 T HA -0.027 4.315 4.350 -0.013 0.000 0.298 235 T C 0.823 175.367 174.700 -0.260 0.000 1.017 235 T CA 0.160 62.020 62.100 -0.400 0.000 1.118 235 T CB 1.055 69.443 68.868 -0.801 0.000 0.948 235 T HN 0.150 nan 8.240 nan 0.000 0.531 236 D N 3.437 123.761 120.400 -0.126 0.000 2.328 236 D HA 0.062 4.694 4.640 -0.013 0.000 0.226 236 D C 0.930 177.207 176.300 -0.038 0.000 1.066 236 D CA -0.305 53.655 54.000 -0.066 0.000 0.861 236 D CB -0.412 40.373 40.800 -0.024 0.000 0.912 236 D HN 0.654 nan 8.370 nan 0.000 0.521 237 M N 1.223 120.784 119.600 -0.065 0.000 2.260 237 M HA 0.227 4.700 4.480 -0.013 0.000 0.348 237 M C -2.653 173.673 176.300 0.044 0.000 1.342 237 M CA -1.727 53.576 55.300 0.005 0.000 1.040 237 M CB 0.648 33.249 32.600 0.001 0.000 1.810 237 M HN -0.140 nan 8.290 nan 0.000 0.453 238 P HA 0.158 nan 4.420 nan 0.000 0.268 238 P C -1.537 175.998 177.300 0.390 0.000 1.205 238 P CA 0.191 63.431 63.100 0.234 0.000 0.771 238 P CB 0.434 32.242 31.700 0.180 0.000 0.858 239 K N 1.825 122.446 120.400 0.368 0.000 2.426 239 K HA 0.630 4.943 4.320 -0.013 0.000 0.251 239 K C -1.344 175.214 176.600 -0.071 0.000 0.941 239 K CA -0.964 55.490 56.287 0.277 0.000 0.808 239 K CB 1.927 34.637 32.500 0.351 0.000 1.265 239 K HN 0.197 nan 8.250 nan 0.000 0.432 240 L N 3.506 124.458 121.223 -0.452 0.000 2.345 240 L HA 0.438 4.771 4.340 -0.013 0.000 0.274 240 L C -1.538 175.024 176.870 -0.514 0.000 0.999 240 L CA -0.345 54.099 54.840 -0.660 0.000 0.849 240 L CB 0.605 41.925 42.059 -1.231 0.000 1.220 240 L HN 0.669 nan 8.230 nan 0.000 0.422 241 F N 6.371 125.952 119.950 -0.614 0.000 2.390 241 F HA 0.548 5.067 4.527 -0.014 0.000 0.361 241 F C -0.331 175.149 175.800 -0.534 0.000 1.124 241 F CA -0.770 56.709 58.000 -0.869 0.000 1.149 241 F CB 0.594 39.294 39.000 -0.501 0.000 1.160 241 F HN 0.408 nan 8.300 nan 0.000 0.501 242 I N 7.087 127.277 120.570 -0.633 0.000 2.281 242 I HA 0.090 4.252 4.170 -0.013 0.000 0.293 242 I C 0.139 175.837 176.117 -0.698 0.000 1.085 242 I CA -0.142 60.816 61.300 -0.570 0.000 1.257 242 I CB 0.259 38.082 38.000 -0.295 0.000 1.430 242 I HN 0.640 nan 8.210 nan 0.000 0.489 243 N N 4.884 122.968 118.700 -1.027 0.000 2.530 243 N HA 0.586 5.318 4.740 -0.013 0.000 0.277 243 N C -0.775 174.531 175.510 -0.340 0.000 1.168 243 N CA -0.328 52.264 53.050 -0.763 0.000 0.979 243 N CB 1.263 39.241 38.487 -0.848 0.000 1.141 243 N HN 0.615 nan 8.380 nan 0.000 0.459 244 A N 2.351 125.066 122.820 -0.175 0.000 2.355 244 A HA 0.454 4.766 4.320 -0.013 0.000 0.324 244 A C -0.943 176.595 177.584 -0.078 0.000 1.117 244 A CA -0.632 51.339 52.037 -0.111 0.000 0.785 244 A CB 1.372 20.330 19.000 -0.071 0.000 1.254 244 A HN 0.684 nan 8.150 nan 0.000 0.453 245 E N 2.403 122.563 120.200 -0.066 0.000 2.218 245 E HA 0.307 4.649 4.350 -0.013 0.000 0.263 245 E C -2.133 174.448 176.600 -0.032 0.000 0.879 245 E CA -1.618 54.754 56.400 -0.047 0.000 0.762 245 E CB 2.243 31.914 29.700 -0.048 0.000 1.166 245 E HN 0.446 nan 8.360 nan 0.000 0.415 246 P HA -0.018 nan 4.420 nan 0.000 0.229 246 P C 0.688 177.969 177.300 -0.032 0.000 1.160 246 P CA 0.777 63.861 63.100 -0.027 0.000 0.777 246 P CB 0.586 32.272 31.700 -0.022 0.000 0.814 247 G N -0.101 108.679 108.800 -0.033 0.000 2.752 247 G HA2 -0.020 3.932 3.960 -0.013 0.000 0.234 247 G HA3 -0.020 3.932 3.960 -0.013 0.000 0.234 247 G C 0.397 175.263 174.900 -0.057 0.000 1.367 247 G CA -0.044 45.036 45.100 -0.033 0.000 0.879 247 G HN 0.517 nan 8.290 nan 0.000 0.563 248 A N -1.798 120.974 122.820 -0.081 0.000 1.748 248 A HA 0.621 4.933 4.320 -0.013 0.000 0.171 248 A C 2.104 179.510 177.584 -0.297 0.000 1.736 248 A CA 1.219 53.139 52.037 -0.193 0.000 1.179 248 A CB -0.383 18.494 19.000 -0.204 0.000 0.961 248 A HN 2.020 nan 8.150 nan 0.000 0.653 249 I N -1.965 118.448 120.570 -0.263 0.000 3.645 249 I HA 0.459 4.621 4.170 -0.013 0.000 0.300 249 I C -0.247 175.807 176.117 -0.105 0.000 1.260 249 I CA 0.428 61.548 61.300 -0.299 0.000 1.365 249 I CB 0.348 38.115 38.000 -0.388 0.000 1.077 249 I HN 0.091 nan 8.210 nan 0.000 0.439 250 I N 3.719 124.279 120.570 -0.017 0.000 2.412 250 I HA 0.329 4.491 4.170 -0.013 0.000 0.279 250 I C -0.173 175.968 176.117 0.039 0.000 1.063 250 I CA -0.219 61.108 61.300 0.045 0.000 1.193 250 I CB 0.905 38.997 38.000 0.153 0.000 1.370 250 I HN 0.302 nan 8.210 nan 0.000 0.479 251 T N 0.966 115.523 114.554 0.004 0.000 2.787 251 T HA 0.781 5.123 4.350 -0.013 0.000 0.297 251 T C 0.505 175.206 174.700 0.002 0.000 1.221 251 T CA -0.048 62.052 62.100 0.000 0.000 1.006 251 T CB 1.667 70.517 68.868 -0.030 0.000 1.328 251 T HN 0.759 nan 8.240 nan 0.000 0.509 252 G N 2.267 111.069 108.800 0.003 0.000 2.614 252 G HA2 -0.408 3.544 3.960 -0.013 0.000 0.303 252 G HA3 -0.408 3.544 3.960 -0.013 0.000 0.303 252 G C 0.874 175.778 174.900 0.006 0.000 1.270 252 G CA 1.935 47.038 45.100 0.004 0.000 0.988 252 G HN 1.530 nan 8.290 nan 0.000 0.551 253 R N 0.213 120.715 120.500 0.003 0.000 2.120 253 R HA 0.191 4.523 4.340 -0.013 0.000 0.234 253 R C 2.641 178.948 176.300 0.012 0.000 1.123 253 R CA 2.260 58.362 56.100 0.004 0.000 0.975 253 R CB -0.447 29.848 30.300 -0.008 0.000 0.866 253 R HN 0.590 nan 8.270 nan 0.000 0.446 254 I N 0.618 121.191 120.570 0.004 0.000 2.353 254 I HA -0.138 4.024 4.170 -0.013 0.000 0.248 254 I C 2.899 179.004 176.117 -0.021 0.000 1.119 254 I CA 1.175 62.486 61.300 0.018 0.000 1.417 254 I CB -0.350 37.653 38.000 0.005 0.000 1.078 254 I HN 0.254 nan 8.210 nan 0.000 0.421 255 R N 1.210 121.703 120.500 -0.012 0.000 2.081 255 R HA -0.204 4.128 4.340 -0.013 0.000 0.235 255 R C 1.796 178.062 176.300 -0.057 0.000 1.131 255 R CA 2.020 58.117 56.100 -0.006 0.000 0.960 255 R CB -0.150 30.196 30.300 0.078 0.000 0.856 255 R HN 0.277 nan 8.270 nan 0.000 0.436 256 D N -0.383 120.006 120.400 -0.018 0.000 2.117 256 D HA -0.203 4.429 4.640 -0.013 0.000 0.197 256 D C 1.589 177.860 176.300 -0.049 0.000 0.987 256 D CA 1.164 55.153 54.000 -0.018 0.000 0.829 256 D CB -0.505 40.304 40.800 0.014 0.000 0.961 256 D HN 0.297 nan 8.370 nan 0.000 0.460 257 Y N 1.832 122.021 120.300 -0.184 0.000 2.097 257 Y HA -0.241 4.301 4.550 -0.013 0.000 0.282 257 Y C 2.201 177.783 175.900 -0.530 0.000 1.152 257 Y CA 1.185 59.149 58.100 -0.227 0.000 1.136 257 Y CB -0.559 37.806 38.460 -0.159 0.000 0.975 257 Y HN -0.192 nan 8.280 nan 0.000 0.498 258 V N 1.091 120.423 119.914 -0.969 0.000 2.407 258 V HA -0.307 3.805 4.120 -0.013 0.000 0.248 258 V C 2.412 177.804 176.094 -1.169 0.000 1.055 258 V CA 2.266 63.506 62.300 -1.767 0.000 1.049 258 V CB -0.657 30.212 31.823 -1.590 0.000 0.662 258 V HN 0.352 nan 8.190 nan 0.000 0.455 259 R N 0.746 120.895 120.500 -0.585 0.000 2.200 259 R HA -0.125 4.207 4.340 -0.013 0.000 0.234 259 R C 2.363 178.567 176.300 -0.160 0.000 1.127 259 R CA 1.469 57.434 56.100 -0.225 0.000 0.989 259 R CB -0.384 29.887 30.300 -0.047 0.000 0.869 259 R HN 0.705 nan 8.270 nan 0.000 0.459 260 S N -0.863 114.708 115.700 -0.215 0.000 2.561 260 S HA -0.027 4.435 4.470 -0.013 0.000 0.225 260 S C 0.199 174.839 174.600 0.066 0.000 0.977 260 S CA -0.305 57.866 58.200 -0.049 0.000 0.926 260 S CB 0.016 63.215 63.200 -0.003 0.000 0.769 260 S HN 0.170 nan 8.310 nan 0.000 0.533 261 W N 3.436 124.605 121.300 -0.217 0.000 2.202 261 W HA 0.485 5.137 4.660 -0.013 0.000 0.332 261 W C -2.488 173.955 176.519 -0.127 0.000 1.263 261 W CA -2.750 54.462 57.345 -0.222 0.000 1.223 261 W CB -0.457 28.833 29.460 -0.283 0.000 1.128 261 W HN 0.079 nan 8.180 nan 0.000 0.573 262 P HA 0.015 nan 4.420 nan 0.000 0.274 262 P C 0.001 177.330 177.300 0.047 0.000 1.246 262 P CA -0.215 62.901 63.100 0.027 0.000 0.795 262 P CB 0.510 32.188 31.700 -0.037 0.000 1.006 263 N N -0.461 118.269 118.700 0.050 0.000 2.714 263 N HA -0.227 4.505 4.740 -0.013 0.000 0.253 263 N C -0.816 174.763 175.510 0.115 0.000 1.024 263 N CA 0.834 53.925 53.050 0.068 0.000 0.726 263 N CB -1.325 37.191 38.487 0.049 0.000 0.908 263 N HN 0.611 nan 8.380 nan 0.000 0.542 264 Q N 0.258 120.127 119.800 0.115 0.000 2.310 264 Q HA 0.422 4.754 4.340 -0.013 0.000 0.270 264 Q C -0.996 175.060 176.000 0.092 0.000 1.025 264 Q CA -0.616 55.268 55.803 0.135 0.000 0.772 264 Q CB 1.024 29.867 28.738 0.175 0.000 1.253 264 Q HN 0.278 nan 8.270 nan 0.000 0.450 265 T N 3.343 117.931 114.554 0.057 0.000 2.817 265 T HA 0.258 4.600 4.350 -0.013 0.000 0.293 265 T C -0.705 173.961 174.700 -0.056 0.000 0.964 265 T CA -0.298 61.806 62.100 0.006 0.000 1.085 265 T CB 1.047 69.915 68.868 0.001 0.000 0.921 265 T HN 0.556 nan 8.240 nan 0.000 0.502 266 E N 2.728 122.890 120.200 -0.063 0.000 2.238 266 E HA 0.646 4.988 4.350 -0.013 0.000 0.267 266 E C -0.853 175.629 176.600 -0.197 0.000 0.887 266 E CA -0.875 55.438 56.400 -0.145 0.000 0.769 266 E CB 1.138 30.804 29.700 -0.058 0.000 1.187 266 E HN 0.696 nan 8.360 nan 0.000 0.416 267 I N -0.581 119.803 120.570 -0.311 0.000 2.892 267 I HA 0.639 4.801 4.170 -0.013 0.000 0.306 267 I C -1.001 174.911 176.117 -0.343 0.000 1.078 267 I CA -0.674 60.469 61.300 -0.262 0.000 1.032 267 I CB 2.636 40.509 38.000 -0.212 0.000 1.229 267 I HN 0.267 nan 8.210 nan 0.000 0.435 268 T N 4.015 118.423 114.554 -0.243 0.000 2.840 268 T HA 0.605 4.947 4.350 -0.013 0.000 0.287 268 T C -0.457 174.146 174.700 -0.161 0.000 0.991 268 T CA -0.514 61.448 62.100 -0.230 0.000 0.964 268 T CB 1.611 70.370 68.868 -0.181 0.000 0.954 268 T HN 0.692 nan 8.240 nan 0.000 0.438 269 V N 1.691 121.514 119.914 -0.152 0.000 3.074 269 V HA 0.846 4.958 4.120 -0.013 0.000 0.314 269 V C -3.057 172.991 176.094 -0.077 0.000 1.117 269 V CA -3.391 58.847 62.300 -0.103 0.000 1.014 269 V CB 1.628 33.390 31.823 -0.102 0.000 1.057 269 V HN 0.473 nan 8.190 nan 0.000 0.438 270 P HA 0.574 nan 4.420 nan 0.000 0.268 270 P C 0.124 177.411 177.300 -0.022 0.000 1.204 270 P CA 0.943 64.027 63.100 -0.026 0.000 0.768 270 P CB 0.697 32.395 31.700 -0.004 0.000 0.842 271 G N 0.445 109.233 108.800 -0.020 0.000 2.328 271 G HA2 0.292 4.244 3.960 -0.013 0.000 0.299 271 G HA3 0.292 4.244 3.960 -0.013 0.000 0.299 271 G C -0.494 174.400 174.900 -0.010 0.000 1.435 271 G CA -0.624 44.469 45.100 -0.011 0.000 0.865 271 G HN 0.268 nan 8.290 nan 0.000 0.601 272 V N -0.716 119.204 119.914 0.011 0.000 3.608 272 V HA 0.271 4.383 4.120 -0.013 0.000 0.203 272 V C 1.657 177.764 176.094 0.023 0.000 1.154 272 V CA 1.841 64.152 62.300 0.018 0.000 1.386 272 V CB 0.061 31.911 31.823 0.045 0.000 1.486 272 V HN 0.889 nan 8.190 nan 0.000 0.491 273 H N -0.939 118.076 119.070 -0.090 0.000 2.393 273 H HA 0.309 4.858 4.556 -0.012 0.000 0.301 273 H C 0.626 175.821 175.328 -0.222 0.000 1.019 273 H CA 0.330 56.239 56.048 -0.233 0.000 1.311 273 H CB 0.139 29.628 29.762 -0.456 0.000 1.475 273 H HN 0.280 nan 8.280 nan 0.000 0.572 274 F N 2.708 122.656 119.950 -0.004 0.000 2.640 274 F HA 0.129 4.647 4.527 -0.015 0.000 0.354 274 F C 1.550 177.236 175.800 -0.190 0.000 1.213 274 F CA -0.244 57.667 58.000 -0.149 0.000 1.314 274 F CB 0.253 39.223 39.000 -0.050 0.000 1.679 274 F HN 0.117 nan 8.300 nan 0.000 0.622 275 V N -1.147 118.668 119.914 -0.165 0.000 2.594 275 V HA -0.274 3.838 4.120 -0.013 0.000 0.253 275 V C 1.900 177.943 176.094 -0.085 0.000 1.069 275 V CA 1.506 63.743 62.300 -0.105 0.000 1.082 275 V CB -0.651 31.097 31.823 -0.124 0.000 0.680 275 V HN 0.448 nan 8.190 nan 0.000 0.469 276 Q N 0.826 120.524 119.800 -0.170 0.000 2.248 276 Q HA -0.148 4.184 4.340 -0.013 0.000 0.208 276 Q C 2.149 178.153 176.000 0.006 0.000 0.984 276 Q CA 1.932 57.667 55.803 -0.113 0.000 0.875 276 Q CB -0.423 28.152 28.738 -0.271 0.000 0.910 276 Q HN 0.696 nan 8.270 nan 0.000 0.433 277 E N -0.038 120.172 120.200 0.017 0.000 2.435 277 E HA -0.067 4.275 4.350 -0.013 0.000 0.195 277 E C 0.540 177.161 176.600 0.035 0.000 1.029 277 E CA 0.575 56.993 56.400 0.030 0.000 0.865 277 E CB 0.284 29.982 29.700 -0.004 0.000 0.833 277 E HN 0.433 nan 8.360 nan 0.000 0.510 278 D N -0.524 119.932 120.400 0.092 0.000 2.431 278 D HA 0.090 4.722 4.640 -0.013 0.000 0.227 278 D C 0.289 176.720 176.300 0.220 0.000 1.030 278 D CA 0.379 54.463 54.000 0.140 0.000 0.897 278 D CB 0.627 41.461 40.800 0.057 0.000 1.058 278 D HN -0.139 nan 8.370 nan 0.000 0.500 279 S N 1.372 117.147 115.700 0.126 0.000 2.617 279 S HA 0.170 4.632 4.470 -0.013 0.000 0.237 279 S C -1.930 172.678 174.600 0.012 0.000 1.142 279 S CA -0.732 57.499 58.200 0.052 0.000 1.167 279 S CB 1.604 64.800 63.200 -0.006 0.000 1.068 279 S HN 0.106 nan 8.310 nan 0.000 0.470 280 P HA -0.078 nan 4.420 nan 0.000 0.219 280 P C 1.172 178.415 177.300 -0.096 0.000 1.150 280 P CA 1.038 64.139 63.100 0.000 0.000 0.814 280 P CB 0.307 32.040 31.700 0.056 0.000 0.787 281 E N 0.603 120.745 120.200 -0.097 0.000 2.072 281 E HA -0.159 4.183 4.350 -0.013 0.000 0.191 281 E C 1.975 178.450 176.600 -0.208 0.000 0.985 281 E CA 1.183 57.508 56.400 -0.125 0.000 0.801 281 E CB -0.412 29.257 29.700 -0.052 0.000 0.750 281 E HN 0.341 nan 8.360 nan 0.000 0.452 282 E N 0.809 120.929 120.200 -0.132 0.000 2.077 282 E HA -0.103 4.239 4.350 -0.013 0.000 0.193 282 E C 2.178 178.686 176.600 -0.154 0.000 0.989 282 E CA 0.711 57.037 56.400 -0.123 0.000 0.800 282 E CB -0.208 29.438 29.700 -0.090 0.000 0.746 282 E HN 0.245 nan 8.360 nan 0.000 0.452 283 I N 0.249 120.730 120.570 -0.147 0.000 2.202 283 I HA -0.166 3.996 4.170 -0.013 0.000 0.242 283 I C 2.403 178.425 176.117 -0.157 0.000 1.091 283 I CA 1.275 62.504 61.300 -0.119 0.000 1.368 283 I CB -0.590 37.381 38.000 -0.049 0.000 1.058 283 I HN 0.203 nan 8.210 nan 0.000 0.410 284 G N 0.458 109.062 108.800 -0.327 0.000 2.418 284 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.217 284 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.217 284 G C 1.863 176.520 174.900 -0.406 0.000 1.158 284 G CA 0.830 45.639 45.100 -0.485 0.000 0.771 284 G HN 0.485 nan 8.290 nan 0.000 0.545 285 A N 1.196 123.752 122.820 -0.441 0.000 1.902 285 A HA 0.235 4.547 4.320 -0.013 0.000 0.217 285 A C 2.822 180.378 177.584 -0.048 0.000 1.181 285 A CA 2.331 54.297 52.037 -0.117 0.000 0.623 285 A CB -0.802 18.152 19.000 -0.076 0.000 0.818 285 A HN 0.785 nan 8.150 nan 0.000 0.443 286 A N -0.040 122.734 122.820 -0.077 0.000 1.877 286 A HA -0.076 4.236 4.320 -0.013 0.000 0.216 286 A C 2.116 179.705 177.584 0.009 0.000 1.186 286 A CA 1.548 53.556 52.037 -0.048 0.000 0.620 286 A CB -0.631 18.308 19.000 -0.101 0.000 0.822 286 A HN 0.501 nan 8.150 nan 0.000 0.443 287 I N -0.125 120.450 120.570 0.008 0.000 2.179 287 I HA -0.275 3.887 4.170 -0.013 0.000 0.242 287 I C 2.976 179.182 176.117 0.148 0.000 1.088 287 I CA 1.079 62.433 61.300 0.089 0.000 1.357 287 I CB -0.408 37.636 38.000 0.074 0.000 1.051 287 I HN 0.341 nan 8.210 nan 0.000 0.409 288 A N 0.332 123.215 122.820 0.106 0.000 1.883 288 A HA -0.289 4.023 4.320 -0.013 0.000 0.217 288 A C 2.279 179.919 177.584 0.093 0.000 1.186 288 A CA 1.855 53.954 52.037 0.104 0.000 0.624 288 A CB -0.719 18.350 19.000 0.116 0.000 0.822 288 A HN 0.489 nan 8.150 nan 0.000 0.444 289 Q N -1.925 117.931 119.800 0.093 0.000 2.084 289 Q HA -0.156 4.176 4.340 -0.013 0.000 0.202 289 Q C 1.930 178.011 176.000 0.135 0.000 0.978 289 Q CA 1.638 57.493 55.803 0.088 0.000 0.844 289 Q CB -0.333 28.446 28.738 0.067 0.000 0.898 289 Q HN 0.745 nan 8.270 nan 0.000 0.426 290 F N 0.701 120.645 119.950 -0.010 0.000 2.102 290 F HA -0.211 4.309 4.527 -0.013 0.000 0.298 290 F C 1.941 177.738 175.800 -0.005 0.000 1.105 290 F CA 1.145 59.141 58.000 -0.008 0.000 1.239 290 F CB -0.377 38.615 39.000 -0.013 0.000 0.991 290 F HN -0.194 nan 8.300 nan 0.000 0.474 291 V N 1.045 120.945 119.914 -0.024 0.000 2.407 291 V HA -0.279 3.833 4.120 -0.013 0.000 0.248 291 V C 2.517 178.544 176.094 -0.112 0.000 1.055 291 V CA 2.174 64.385 62.300 -0.148 0.000 1.049 291 V CB -0.736 31.065 31.823 -0.037 0.000 0.662 291 V HN 0.283 nan 8.190 nan 0.000 0.455 292 R N -0.217 120.259 120.500 -0.040 0.000 2.105 292 R HA -0.148 4.184 4.340 -0.013 0.000 0.239 292 R C 2.544 178.811 176.300 -0.054 0.000 1.135 292 R CA 1.526 57.605 56.100 -0.034 0.000 0.967 292 R CB -0.342 29.957 30.300 -0.002 0.000 0.861 292 R HN 0.487 nan 8.270 nan 0.000 0.442 293 R N 0.462 120.926 120.500 -0.060 0.000 2.081 293 R HA -0.085 4.247 4.340 -0.013 0.000 0.235 293 R C 2.344 178.574 176.300 -0.116 0.000 1.131 293 R CA 1.225 57.286 56.100 -0.065 0.000 0.960 293 R CB -0.392 29.891 30.300 -0.027 0.000 0.856 293 R HN 0.187 nan 8.270 nan 0.000 0.436 294 L N 0.163 121.258 121.223 -0.214 0.000 2.017 294 L HA -0.191 4.141 4.340 -0.013 0.000 0.208 294 L C 2.555 179.349 176.870 -0.127 0.000 1.073 294 L CA 1.512 56.225 54.840 -0.211 0.000 0.745 294 L CB -0.389 41.469 42.059 -0.335 0.000 0.894 294 L HN 0.141 nan 8.230 nan 0.000 0.432 295 R N -0.554 119.879 120.500 -0.113 0.000 2.091 295 R HA -0.133 4.199 4.340 -0.013 0.000 0.238 295 R C 2.545 178.807 176.300 -0.062 0.000 1.136 295 R CA 1.599 57.650 56.100 -0.081 0.000 0.959 295 R CB -0.448 29.811 30.300 -0.069 0.000 0.856 295 R HN 0.239 nan 8.270 nan 0.000 0.437 296 S N 0.658 116.326 115.700 -0.053 0.000 2.353 296 S HA -0.199 4.263 4.470 -0.013 0.000 0.222 296 S C 2.100 176.679 174.600 -0.035 0.000 1.035 296 S CA 1.440 59.617 58.200 -0.038 0.000 1.025 296 S CB -0.316 62.865 63.200 -0.030 0.000 0.902 296 S HN 0.521 nan 8.310 nan 0.000 0.440 297 A N 1.070 123.866 122.820 -0.040 0.000 2.019 297 A HA 0.151 4.463 4.320 -0.013 0.000 0.219 297 A C 2.120 179.688 177.584 -0.027 0.000 1.164 297 A CA 1.559 53.578 52.037 -0.030 0.000 0.644 297 A CB -0.732 18.248 19.000 -0.034 0.000 0.805 297 A HN 0.524 nan 8.150 nan 0.000 0.449 298 A N -1.290 121.508 122.820 -0.036 0.000 2.235 298 A HA 0.456 4.768 4.320 -0.013 0.000 0.208 298 A C 1.467 179.029 177.584 -0.036 0.000 1.172 298 A CA 1.217 53.234 52.037 -0.033 0.000 0.786 298 A CB -1.229 17.740 19.000 -0.052 0.000 0.804 298 A HN 2.097 nan 8.150 nan 0.000 0.479 299 G N 0.000 108.780 108.800 -0.033 0.000 5.446 299 G HA2 0.000 3.952 3.960 -0.013 0.000 0.244 299 G HA3 0.000 3.952 3.960 -0.013 0.000 0.244 299 G CA 0.000 45.082 45.100 -0.029 0.000 0.502 299 G HN 0.000 nan 8.290 nan 0.000 0.925