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 3mv8_1_E DATA FIRST_RESID 0 DATA SEQUENCE MDSGVTQTPK HLITATGQRV TLRcSPRSGD LSXXXXXXXV YWYQQSLDQG DATA SEQUENCE LQFLIHYYNG EEXXXXRAKG NILXERFSAQ QFXPDLHSEL NLSSLELGDS DATA SEQUENCE ALYFcASSAR SGELFFGEGS RLTVLEDLKN VFPPEVAVFE PSEAEISHTQ DATA SEQUENCE KATLVcLATG FYPDHVELSW WVNGKEVHSG VCTDPQPLKE QPALNDSRYA DATA SEQUENCE LSSRLRVSAT FWQNPRNHFR cQVQFYGLSE NDEWTQDRAK PVTQIVSAEA DATA SEQUENCE WGRAD 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.315 176.300 0.025 0.000 1.140 0 M CA 0.000 55.305 55.300 0.009 0.000 0.988 0 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 1 D N 2.924 123.339 120.400 0.025 0.000 2.488 1 D HA 0.246 4.886 4.640 0.001 0.000 0.238 1 D C 1.107 177.426 176.300 0.032 0.000 1.138 1 D CA 0.838 54.861 54.000 0.039 0.000 0.873 1 D CB 1.118 41.939 40.800 0.035 0.000 1.183 1 D HN 0.667 nan 8.370 nan 0.000 0.458 2 S N 1.943 117.678 115.700 0.059 0.000 2.387 2 S HA 0.040 4.511 4.470 0.001 0.000 0.226 2 S C 1.779 176.352 174.600 -0.046 0.000 1.026 2 S CA 0.616 58.838 58.200 0.037 0.000 0.972 2 S CB -0.086 63.207 63.200 0.155 0.000 0.814 2 S HN 0.870 nan 8.310 nan 0.000 0.477 3 G N -0.125 108.670 108.800 -0.009 0.000 2.421 3 G HA2 -0.139 3.822 3.960 0.001 0.000 0.188 3 G HA3 -0.139 3.822 3.960 0.001 0.000 0.188 3 G C -0.038 174.861 174.900 -0.001 0.000 1.001 3 G CA -0.198 44.887 45.100 -0.025 0.000 0.693 3 G HN 0.612 nan 8.290 nan 0.000 0.479 4 V N 2.582 122.510 119.914 0.025 0.000 2.572 4 V HA 0.494 4.614 4.120 0.001 0.000 0.291 4 V C 0.595 176.716 176.094 0.046 0.000 1.039 4 V CA 0.703 63.024 62.300 0.035 0.000 1.055 4 V CB 1.280 33.131 31.823 0.047 0.000 0.969 4 V HN 0.306 nan 8.190 nan 0.000 0.482 5 T N 6.122 120.698 114.554 0.038 0.000 2.758 5 T HA 0.447 4.797 4.350 0.001 0.000 0.285 5 T C -0.387 174.348 174.700 0.057 0.000 0.981 5 T CA -0.434 61.693 62.100 0.045 0.000 0.965 5 T CB 0.978 69.863 68.868 0.029 0.000 0.927 5 T HN 0.694 nan 8.240 nan 0.000 0.448 6 Q N 2.195 122.038 119.800 0.073 0.000 2.330 6 Q HA 0.585 4.925 4.340 0.001 0.000 0.269 6 Q C -0.543 175.501 176.000 0.075 0.000 1.022 6 Q CA -0.741 55.118 55.803 0.094 0.000 0.796 6 Q CB 1.994 30.803 28.738 0.119 0.000 1.271 6 Q HN 0.858 nan 8.270 nan 0.000 0.450 7 T N -0.711 113.891 114.554 0.080 0.000 2.896 7 T HA 0.682 5.032 4.350 0.001 0.000 0.297 7 T C -2.806 171.923 174.700 0.048 0.000 1.108 7 T CA -2.097 60.032 62.100 0.048 0.000 1.004 7 T CB 1.924 70.812 68.868 0.032 0.000 1.159 7 T HN 0.235 nan 8.240 nan 0.000 0.499 8 P HA 0.345 nan 4.420 nan 0.000 0.277 8 P C 0.282 177.556 177.300 -0.042 0.000 1.240 8 P CA -0.618 62.481 63.100 -0.002 0.000 0.798 8 P CB 1.301 32.997 31.700 -0.007 0.000 0.979 9 K N 0.334 120.694 120.400 -0.067 0.000 2.097 9 K HA -0.069 4.251 4.320 0.001 0.000 0.206 9 K C 0.710 177.035 176.600 -0.459 0.000 1.049 9 K CA 1.178 57.340 56.287 -0.209 0.000 0.933 9 K CB -0.176 32.237 32.500 -0.145 0.000 0.717 9 K HN 0.610 nan 8.250 nan 0.000 0.442 10 H N -0.589 118.307 119.070 -0.289 0.000 2.600 10 H HA 0.377 4.933 4.556 0.001 0.000 0.357 10 H C -1.045 174.161 175.328 -0.204 0.000 1.106 10 H CA -0.696 55.186 56.048 -0.277 0.000 1.193 10 H CB 1.893 31.303 29.762 -0.587 0.000 1.594 10 H HN -0.067 nan 8.280 nan 0.000 0.526 11 L N 4.101 125.279 121.223 -0.075 0.000 2.410 11 L HA 0.467 4.808 4.340 0.001 0.000 0.270 11 L C -0.832 175.932 176.870 -0.177 0.000 0.983 11 L CA -0.561 54.215 54.840 -0.108 0.000 0.822 11 L CB 2.004 44.014 42.059 -0.082 0.000 1.285 11 L HN 0.461 nan 8.230 nan 0.000 0.409 12 I N 2.654 123.113 120.570 -0.185 0.000 2.418 12 I HA 0.548 4.719 4.170 0.001 0.000 0.287 12 I C -0.218 175.857 176.117 -0.070 0.000 1.008 12 I CA -0.085 61.117 61.300 -0.164 0.000 1.104 12 I CB 2.225 40.084 38.000 -0.235 0.000 1.264 12 I HN 0.486 nan 8.210 nan 0.000 0.438 13 T N 3.862 118.402 114.554 -0.024 0.000 2.762 13 T HA 0.792 5.142 4.350 0.001 0.000 0.301 13 T C -1.321 173.402 174.700 0.037 0.000 1.299 13 T CA -0.398 61.703 62.100 0.002 0.000 1.005 13 T CB 1.667 70.525 68.868 -0.017 0.000 1.377 13 T HN 0.597 nan 8.240 nan 0.000 0.504 14 A N 1.380 124.226 122.820 0.044 0.000 2.282 14 A HA 0.712 5.032 4.320 0.001 0.000 0.319 14 A C 0.630 178.244 177.584 0.051 0.000 1.121 14 A CA -0.254 51.819 52.037 0.060 0.000 0.836 14 A CB 0.163 19.201 19.000 0.063 0.000 1.146 14 A HN 1.087 nan 8.150 nan 0.000 0.494 15 T N -1.014 113.576 114.554 0.060 0.000 2.932 15 T HA 0.425 4.776 4.350 0.001 0.000 0.312 15 T C 1.258 175.984 174.700 0.043 0.000 1.071 15 T CA 0.545 62.678 62.100 0.055 0.000 1.128 15 T CB 0.765 69.669 68.868 0.060 0.000 0.984 15 T HN 2.448 nan 8.240 nan 0.000 0.549 16 G N 1.483 110.308 108.800 0.040 0.000 2.199 16 G HA2 -0.219 3.742 3.960 0.001 0.000 0.254 16 G HA3 -0.219 3.742 3.960 0.001 0.000 0.254 16 G C 0.126 175.039 174.900 0.022 0.000 0.982 16 G CA 0.285 45.404 45.100 0.032 0.000 0.632 16 G HN 0.914 nan 8.290 nan 0.000 0.529 17 Q N -0.515 119.295 119.800 0.017 0.000 2.222 17 Q HA 0.601 4.941 4.340 0.001 0.000 0.211 17 Q C 0.279 176.270 176.000 -0.016 0.000 1.013 17 Q CA -0.554 55.251 55.803 0.002 0.000 0.993 17 Q CB 1.191 29.930 28.738 0.002 0.000 1.151 17 Q HN 0.392 nan 8.270 nan 0.000 0.544 18 R N 0.356 120.836 120.500 -0.033 0.000 2.599 18 R HA 0.521 4.861 4.340 0.001 0.000 0.295 18 R C -1.183 175.064 176.300 -0.087 0.000 0.963 18 R CA -0.432 55.631 56.100 -0.062 0.000 0.883 18 R CB 1.394 31.665 30.300 -0.048 0.000 1.171 18 R HN 0.485 nan 8.270 nan 0.000 0.450 19 V N -0.290 119.539 119.914 -0.141 0.000 2.914 19 V HA 0.691 4.811 4.120 0.001 0.000 0.314 19 V C -0.727 175.247 176.094 -0.200 0.000 1.084 19 V CA -0.711 61.494 62.300 -0.159 0.000 0.963 19 V CB 1.880 33.596 31.823 -0.179 0.000 1.025 19 V HN 0.766 nan 8.190 nan 0.000 0.432 20 T N 3.717 118.175 114.554 -0.159 0.000 2.812 20 T HA 0.709 5.059 4.350 0.001 0.000 0.282 20 T C -0.824 173.792 174.700 -0.140 0.000 0.990 20 T CA -0.447 61.557 62.100 -0.160 0.000 0.960 20 T CB 0.663 69.481 68.868 -0.084 0.000 0.948 20 T HN 0.735 nan 8.240 nan 0.000 0.438 21 L N 4.227 125.337 121.223 -0.189 0.000 2.331 21 L HA 0.690 5.031 4.340 0.001 0.000 0.275 21 L C 0.443 177.377 176.870 0.108 0.000 1.022 21 L CA -1.131 53.665 54.840 -0.073 0.000 0.812 21 L CB 1.741 43.713 42.059 -0.145 0.000 1.257 21 L HN 0.470 nan 8.230 nan 0.000 0.435 22 R N 0.873 121.509 120.500 0.226 0.000 2.637 22 R HA 0.676 5.016 4.340 0.001 0.000 0.291 22 R C -1.637 174.878 176.300 0.359 0.000 0.963 22 R CA -0.404 55.877 56.100 0.301 0.000 0.901 22 R CB 1.998 32.386 30.300 0.147 0.000 1.160 22 R HN 0.733 nan 8.270 nan 0.000 0.457 23 c N 1.935 120.752 118.600 0.362 0.000 2.608 23 c HA 0.595 5.165 4.570 0.001 0.000 0.325 23 c C -0.993 173.189 174.090 0.152 0.000 1.147 23 c CA -0.293 56.130 56.329 0.157 0.000 1.359 23 c CB 1.544 43.973 42.510 -0.135 0.000 1.912 23 c HN 0.831 nan 8.230 nan 0.000 0.466 24 S N 7.121 122.873 115.700 0.086 0.000 2.437 24 S HA 0.635 5.105 4.470 0.001 0.000 0.305 24 S C -2.489 172.132 174.600 0.035 0.000 1.109 24 S CA -0.563 57.685 58.200 0.080 0.000 1.099 24 S CB 1.688 64.918 63.200 0.050 0.000 1.004 24 S HN 0.807 nan 8.310 nan 0.000 0.475 25 P HA 0.185 nan 4.420 nan 0.000 0.274 25 P C -0.432 176.876 177.300 0.013 0.000 1.260 25 P CA -0.617 62.493 63.100 0.017 0.000 0.793 25 P CB 0.558 32.274 31.700 0.026 0.000 1.048 26 R N -0.136 120.367 120.500 0.006 0.000 2.756 26 R HA 0.148 4.488 4.340 0.001 0.000 0.264 26 R C 0.421 176.711 176.300 -0.016 0.000 1.026 26 R CA 0.084 56.171 56.100 -0.022 0.000 1.121 26 R CB -0.298 29.964 30.300 -0.064 0.000 0.999 26 R HN 0.467 nan 8.270 nan 0.000 0.449 27 S N 1.125 116.810 115.700 -0.026 0.000 2.525 27 S HA 0.191 4.662 4.470 0.001 0.000 0.285 27 S C 1.268 175.856 174.600 -0.020 0.000 1.283 27 S CA 0.713 58.901 58.200 -0.019 0.000 1.072 27 S CB 0.931 64.118 63.200 -0.022 0.000 0.867 27 S HN 0.899 nan 8.310 nan 0.000 0.492 28 G N 3.401 112.196 108.800 -0.009 0.000 2.258 28 G HA2 -0.194 3.766 3.960 0.001 0.000 0.233 28 G HA3 -0.194 3.766 3.960 0.001 0.000 0.233 28 G C -0.405 174.503 174.900 0.013 0.000 1.006 28 G CA -0.241 44.858 45.100 -0.001 0.000 0.620 28 G HN 0.626 nan 8.290 nan 0.000 0.511 29 D N 0.328 120.738 120.400 0.017 0.000 2.302 29 D HA 0.602 5.243 4.640 0.001 0.000 0.248 29 D C 1.541 177.846 176.300 0.009 0.000 1.094 29 D CA -0.189 53.839 54.000 0.046 0.000 0.897 29 D CB 1.266 42.110 40.800 0.072 0.000 1.200 29 D HN 0.221 nan 8.370 nan 0.000 0.429 30 L N 0.393 121.605 121.223 -0.017 0.000 2.701 30 L HA 0.100 4.440 4.340 0.001 0.000 0.238 30 L C 1.076 177.837 176.870 -0.181 0.000 1.106 30 L CA -0.021 54.708 54.840 -0.185 0.000 0.898 30 L CB 0.071 41.865 42.059 -0.440 0.000 1.188 30 L HN 0.250 nan 8.230 nan 0.000 0.508 40 Y N 2.136 122.489 120.300 0.088 0.000 2.393 40 Y HA 0.654 5.204 4.550 0.001 0.000 0.341 40 Y C -0.456 175.487 175.900 0.073 0.000 0.988 40 Y CA -0.377 57.849 58.100 0.210 0.000 1.078 40 Y CB 1.997 40.613 38.460 0.260 0.000 1.203 40 Y HN 0.636 nan 8.280 nan 0.000 0.453 41 W N 2.986 124.492 121.300 0.343 0.000 2.529 41 W HA 0.567 5.227 4.660 0.000 0.000 0.321 41 W C -1.284 175.335 176.519 0.167 0.000 1.047 41 W CA -0.645 56.874 57.345 0.290 0.000 1.216 41 W CB 1.041 30.614 29.460 0.188 0.000 1.357 41 W HN 0.393 nan 8.180 nan 0.000 0.489 42 Y N 1.150 121.832 120.300 0.637 0.000 2.570 42 Y HA 0.395 4.946 4.550 0.001 0.000 0.345 42 Y C -0.167 175.997 175.900 0.441 0.000 1.014 42 Y CA -1.300 57.110 58.100 0.517 0.000 1.063 42 Y CB 2.337 41.125 38.460 0.548 0.000 1.272 42 Y HN 0.288 nan 8.280 nan 0.000 0.477 43 Q N 2.153 122.210 119.800 0.428 0.000 2.337 43 Q HA 0.368 4.709 4.340 0.001 0.000 0.270 43 Q C -1.677 174.384 176.000 0.101 0.000 1.043 43 Q CA -0.896 54.972 55.803 0.108 0.000 0.794 43 Q CB 1.999 30.773 28.738 0.059 0.000 1.281 43 Q HN 0.780 nan 8.270 nan 0.000 0.446 44 Q N 2.511 122.299 119.800 -0.020 0.000 2.401 44 Q HA 0.387 4.728 4.340 0.001 0.000 0.260 44 Q C -1.353 174.615 176.000 -0.053 0.000 1.034 44 Q CA -0.306 55.519 55.803 0.038 0.000 0.737 44 Q CB 1.501 30.337 28.738 0.162 0.000 1.227 44 Q HN 0.682 nan 8.270 nan 0.000 0.488 45 S N 2.810 118.495 115.700 -0.024 0.000 2.632 45 S HA 0.379 4.849 4.470 0.001 0.000 0.271 45 S C 0.179 174.783 174.600 0.006 0.000 1.260 45 S CA -0.668 57.522 58.200 -0.017 0.000 1.010 45 S CB 0.649 63.855 63.200 0.010 0.000 0.965 45 S HN 0.629 nan 8.310 nan 0.000 0.534 46 L N 1.868 123.098 121.223 0.012 0.000 2.514 46 L HA 0.019 4.360 4.340 0.001 0.000 0.280 46 L C 0.349 177.232 176.870 0.022 0.000 1.223 46 L CA 0.384 55.235 54.840 0.019 0.000 0.864 46 L CB -0.311 41.765 42.059 0.027 0.000 1.118 46 L HN 0.741 nan 8.230 nan 0.000 0.494 47 D N 0.772 121.184 120.400 0.020 0.000 2.955 47 D HA -0.241 4.400 4.640 0.001 0.000 0.226 47 D C -0.130 176.181 176.300 0.019 0.000 1.178 47 D CA 1.167 55.178 54.000 0.019 0.000 0.808 47 D CB -0.687 40.125 40.800 0.021 0.000 1.099 47 D HN 0.572 nan 8.370 nan 0.000 0.421 48 Q N -0.856 118.957 119.800 0.021 0.000 2.389 48 Q HA 0.604 4.945 4.340 0.001 0.000 0.277 48 Q C 0.307 176.324 176.000 0.028 0.000 1.082 48 Q CA -0.623 55.196 55.803 0.026 0.000 0.810 48 Q CB 1.783 30.541 28.738 0.032 0.000 1.374 48 Q HN 0.154 nan 8.270 nan 0.000 0.422 49 G N 1.296 110.114 108.800 0.030 0.000 2.621 49 G HA2 0.325 4.285 3.960 0.001 0.000 0.271 49 G HA3 0.325 4.285 3.960 0.001 0.000 0.271 49 G C -0.711 174.228 174.900 0.066 0.000 1.236 49 G CA -0.544 44.572 45.100 0.026 0.000 0.958 49 G HN 0.433 nan 8.290 nan 0.000 0.512 50 L N 0.618 121.878 121.223 0.060 0.000 2.499 50 L HA 0.177 4.518 4.340 0.001 0.000 0.273 50 L C 0.274 177.319 176.870 0.292 0.000 1.195 50 L CA 0.326 55.262 54.840 0.160 0.000 0.882 50 L CB 0.806 42.868 42.059 0.005 0.000 1.133 50 L HN 0.354 nan 8.230 nan 0.000 0.483 51 Q N 3.408 123.445 119.800 0.396 0.000 2.330 51 Q HA 0.274 4.615 4.340 0.001 0.000 0.269 51 Q C -0.763 175.467 176.000 0.383 0.000 1.022 51 Q CA -0.609 55.406 55.803 0.352 0.000 0.796 51 Q CB 1.919 30.777 28.738 0.201 0.000 1.271 51 Q HN 0.462 nan 8.270 nan 0.000 0.450 52 F N 3.386 123.404 119.950 0.113 0.000 2.543 52 F HA 0.020 4.547 4.527 0.001 0.000 0.375 52 F C 0.166 175.914 175.800 -0.088 0.000 1.075 52 F CA 0.310 58.137 58.000 -0.290 0.000 1.225 52 F CB 0.484 39.384 39.000 -0.167 0.000 1.099 52 F HN 0.568 nan 8.300 nan 0.000 0.561 53 L N 6.044 126.791 121.223 -0.792 0.000 2.379 53 L HA 0.403 4.743 4.340 0.001 0.000 0.190 53 L C 0.041 176.382 176.870 -0.881 0.000 1.111 53 L CA 0.038 54.552 54.840 -0.543 0.000 0.820 53 L CB 0.246 42.268 42.059 -0.061 0.000 1.046 53 L HN 0.620 nan 8.230 nan 0.000 0.485 54 I N -1.778 118.302 120.570 -0.816 0.000 2.882 54 I HA 0.245 4.416 4.170 0.001 0.000 0.298 54 I C -1.622 174.500 176.117 0.009 0.000 1.462 54 I CA -0.562 60.487 61.300 -0.418 0.000 1.000 54 I CB 2.726 40.642 38.000 -0.140 0.000 1.340 54 I HN 0.077 nan 8.210 nan 0.000 0.462 55 H N 5.766 124.756 119.070 -0.133 0.000 2.667 55 H HA 0.496 5.053 4.556 0.001 0.000 0.353 55 H C -2.099 172.949 175.328 -0.467 0.000 1.072 55 H CA -0.481 55.434 56.048 -0.222 0.000 1.214 55 H CB 1.635 31.309 29.762 -0.146 0.000 1.600 55 H HN 0.519 nan 8.280 nan 0.000 0.527 56 Y N 3.367 123.526 120.300 -0.235 0.000 2.485 56 Y HA 0.274 4.824 4.550 0.001 0.000 0.345 56 Y C -1.121 174.646 175.900 -0.221 0.000 0.998 56 Y CA -0.871 57.075 58.100 -0.257 0.000 1.059 56 Y CB 1.988 40.399 38.460 -0.082 0.000 1.234 56 Y HN 0.566 nan 8.280 nan 0.000 0.461 57 Y N 2.733 122.952 120.300 -0.136 0.000 2.354 57 Y HA 0.311 4.861 4.550 0.001 0.000 0.330 57 Y C 0.052 175.955 175.900 0.006 0.000 1.011 57 Y CA -1.304 56.773 58.100 -0.039 0.000 1.099 57 Y CB 1.016 39.439 38.460 -0.062 0.000 1.179 57 Y HN 0.797 nan 8.280 nan 0.000 0.442 58 N N 4.269 122.709 118.700 -0.434 0.000 2.725 58 N HA -0.200 4.540 4.740 0.001 0.000 0.251 58 N C 0.675 176.127 175.510 -0.098 0.000 1.031 58 N CA 1.925 54.784 53.050 -0.319 0.000 0.720 58 N CB -1.125 37.117 38.487 -0.408 0.000 0.930 58 N HN 1.518 nan 8.380 nan 0.000 0.543 59 G N -1.245 107.517 108.800 -0.064 0.000 2.175 59 G HA2 -0.300 3.660 3.960 0.001 0.000 0.244 59 G HA3 -0.300 3.660 3.960 0.001 0.000 0.244 59 G C -0.220 174.685 174.900 0.009 0.000 0.982 59 G CA 0.478 45.547 45.100 -0.052 0.000 0.641 59 G HN 0.700 nan 8.290 nan 0.000 0.527 60 E N 0.345 120.595 120.200 0.083 0.000 2.222 60 E HA 0.501 4.852 4.350 0.001 0.000 0.267 60 E C 0.236 176.903 176.600 0.112 0.000 0.884 60 E CA -0.725 55.732 56.400 0.094 0.000 0.764 60 E CB 1.265 30.998 29.700 0.054 0.000 1.169 60 E HN 0.333 nan 8.360 nan 0.000 0.413 67 A N 0.215 122.975 122.820 -0.099 0.000 2.606 67 A HA 0.731 5.052 4.320 0.001 0.000 0.293 67 A C -1.715 175.959 177.584 0.150 0.000 1.082 67 A CA -0.593 51.517 52.037 0.120 0.000 0.685 67 A CB 1.781 20.962 19.000 0.301 0.000 1.284 67 A HN 0.004 nan 8.150 nan 0.000 0.408 68 K N 0.825 121.324 120.400 0.165 0.000 2.471 68 K HA 0.573 4.893 4.320 0.001 0.000 0.252 68 K C 0.391 177.037 176.600 0.078 0.000 0.938 68 K CA -0.100 56.193 56.287 0.011 0.000 0.796 68 K CB 1.910 34.389 32.500 -0.036 0.000 1.161 68 K HN 1.009 nan 8.250 nan 0.000 0.425 69 G N 1.829 110.499 108.800 -0.215 0.000 2.975 69 G HA2 0.031 3.992 3.960 0.001 0.000 0.159 69 G HA3 0.031 3.992 3.960 0.001 0.000 0.159 69 G C -0.197 174.674 174.900 -0.048 0.000 1.525 69 G CA -0.402 44.659 45.100 -0.065 0.000 1.075 69 G HN 0.688 nan 8.290 nan 0.000 0.574 70 N N 0.140 118.816 118.700 -0.041 0.000 2.575 70 N HA 0.236 4.977 4.740 0.001 0.000 0.275 70 N C -0.019 175.442 175.510 -0.083 0.000 1.202 70 N CA -0.210 52.818 53.050 -0.038 0.000 0.945 70 N CB 0.585 39.071 38.487 -0.002 0.000 1.247 70 N HN 0.358 nan 8.380 nan 0.000 0.510 71 I N 0.954 121.460 120.570 -0.106 0.000 2.556 71 I HA 0.047 4.218 4.170 0.001 0.000 0.284 71 I C 0.096 176.111 176.117 -0.171 0.000 1.114 71 I CA -0.365 60.873 61.300 -0.103 0.000 1.418 71 I CB 0.564 38.534 38.000 -0.050 0.000 1.394 71 I HN 0.069 nan 8.210 nan 0.000 0.552 75 R N 0.536 121.043 120.500 0.012 0.000 2.307 75 R HA 0.144 4.485 4.340 0.001 0.000 0.199 75 R C 0.257 176.744 176.300 0.313 0.000 1.000 75 R CA 0.382 56.552 56.100 0.117 0.000 1.023 75 R CB -0.169 30.198 30.300 0.111 0.000 0.908 75 R HN -0.201 nan 8.270 nan 0.000 0.473 76 F N 1.863 121.774 119.950 -0.066 0.000 2.385 76 F HA 0.434 4.961 4.527 0.001 0.000 0.336 76 F C 0.655 176.394 175.800 -0.102 0.000 1.100 76 F CA -1.688 56.251 58.000 -0.101 0.000 1.116 76 F CB 1.669 40.609 39.000 -0.100 0.000 1.166 76 F HN 0.092 nan 8.300 nan 0.000 0.511 77 S N 1.045 116.758 115.700 0.021 0.000 2.570 77 S HA 0.972 5.442 4.470 0.001 0.000 0.270 77 S C -1.249 173.290 174.600 -0.102 0.000 1.149 77 S CA -0.531 57.656 58.200 -0.022 0.000 0.837 77 S CB 2.000 65.187 63.200 -0.021 0.000 1.124 77 S HN 1.106 nan 8.310 nan 0.000 0.465 78 A N 0.957 123.752 122.820 -0.042 0.000 2.602 78 A HA 0.902 5.223 4.320 0.001 0.000 0.290 78 A C -1.635 175.882 177.584 -0.111 0.000 1.114 78 A CA -0.869 51.112 52.037 -0.093 0.000 0.683 78 A CB 1.651 20.621 19.000 -0.050 0.000 1.281 78 A HN 0.878 nan 8.150 nan 0.000 0.416 79 Q N -0.249 119.295 119.800 -0.428 0.000 2.435 79 Q HA 0.523 4.863 4.340 0.001 0.000 0.282 79 Q C -1.310 174.062 176.000 -1.046 0.000 1.020 79 Q CA -0.517 54.843 55.803 -0.738 0.000 0.820 79 Q CB 2.598 30.880 28.738 -0.761 0.000 1.436 79 Q HN 0.724 nan 8.270 nan 0.000 0.395 80 Q N 1.673 120.833 119.800 -1.065 0.000 2.307 80 Q HA 0.475 4.816 4.340 0.001 0.000 0.262 80 Q C -1.331 174.340 176.000 -0.547 0.000 0.961 80 Q CA -0.352 55.051 55.803 -0.667 0.000 0.882 80 Q CB 0.814 29.301 28.738 -0.418 0.000 1.264 80 Q HN 0.481 nan 8.270 nan 0.000 0.446 84 D N 0.684 121.162 120.400 0.129 0.000 2.271 84 D HA -0.054 4.587 4.640 0.001 0.000 0.207 84 D C 1.251 177.615 176.300 0.106 0.000 0.983 84 D CA 1.393 55.475 54.000 0.136 0.000 0.878 84 D CB -0.123 40.846 40.800 0.282 0.000 0.920 84 D HN 0.290 nan 8.370 nan 0.000 0.479 85 L N -1.765 119.502 121.223 0.072 0.000 5.060 85 L HA -0.277 4.064 4.340 0.001 0.000 0.408 85 L C 0.833 177.743 176.870 0.067 0.000 0.917 85 L CA 0.577 55.432 54.840 0.026 0.000 1.627 85 L CB -2.023 40.037 42.059 0.001 0.000 1.732 85 L HN 0.498 nan 8.230 nan 0.000 0.611 86 H N 0.661 119.784 119.070 0.089 0.000 2.679 86 H HA 0.539 5.095 4.556 0.001 0.000 0.369 86 H C -0.228 175.236 175.328 0.227 0.000 1.178 86 H CA 0.713 56.827 56.048 0.111 0.000 1.419 86 H CB 1.689 31.486 29.762 0.057 0.000 1.458 86 H HN 0.091 nan 8.280 nan 0.000 0.605 87 S N 1.218 117.027 115.700 0.181 0.000 2.548 87 S HA 0.327 4.798 4.470 0.001 0.000 0.286 87 S C -1.202 173.664 174.600 0.443 0.000 1.098 87 S CA -0.815 57.496 58.200 0.184 0.000 0.930 87 S CB 1.480 64.811 63.200 0.219 0.000 1.070 87 S HN 0.780 nan 8.310 nan 0.000 0.480 88 E N 1.783 122.166 120.200 0.305 0.000 2.187 88 E HA 0.467 4.817 4.350 0.001 0.000 0.268 88 E C -1.466 175.064 176.600 -0.116 0.000 0.896 88 E CA -0.731 55.795 56.400 0.209 0.000 0.766 88 E CB 2.023 31.880 29.700 0.262 0.000 1.142 88 E HN 0.402 nan 8.360 nan 0.000 0.408 89 L N 3.842 124.792 121.223 -0.454 0.000 2.287 89 L HA 0.391 4.732 4.340 0.001 0.000 0.287 89 L C -1.176 175.370 176.870 -0.541 0.000 1.022 89 L CA -0.351 54.010 54.840 -0.798 0.000 0.814 89 L CB 0.931 41.975 42.059 -1.691 0.000 1.217 89 L HN 0.407 nan 8.230 nan 0.000 0.420 90 N N 6.708 125.163 118.700 -0.408 0.000 2.408 90 N HA 0.477 5.217 4.740 0.001 0.000 0.280 90 N C -1.365 173.900 175.510 -0.409 0.000 1.002 90 N CA -0.343 52.513 53.050 -0.324 0.000 0.907 90 N CB 2.053 40.432 38.487 -0.180 0.000 1.161 90 N HN 0.531 nan 8.380 nan 0.000 0.488 91 L N 1.452 122.386 121.223 -0.481 0.000 2.319 91 L HA 0.452 4.792 4.340 0.001 0.000 0.281 91 L C 0.389 177.116 176.870 -0.238 0.000 1.005 91 L CA -0.669 53.818 54.840 -0.588 0.000 0.828 91 L CB 1.386 42.859 42.059 -0.975 0.000 1.227 91 L HN 0.474 nan 8.230 nan 0.000 0.415 92 S N 0.078 115.745 115.700 -0.054 0.000 2.689 92 S HA 0.589 5.059 4.470 0.001 0.000 0.306 92 S C 0.233 174.869 174.600 0.060 0.000 1.104 92 S CA -0.699 57.499 58.200 -0.004 0.000 0.973 92 S CB 1.758 64.958 63.200 -0.001 0.000 1.121 92 S HN 0.567 nan 8.310 nan 0.000 0.523 93 S N 0.054 115.777 115.700 0.038 0.000 3.550 93 S HA -0.132 4.339 4.470 0.001 0.000 0.372 93 S C 0.149 174.791 174.600 0.070 0.000 0.966 93 S CA 0.205 58.434 58.200 0.049 0.000 1.229 93 S CB -2.015 61.215 63.200 0.049 0.000 0.917 93 S HN 0.639 nan 8.310 nan 0.000 0.496 94 L N 1.089 122.346 121.223 0.057 0.000 2.490 94 L HA 0.138 4.479 4.340 0.001 0.000 0.274 94 L C 1.006 177.926 176.870 0.083 0.000 1.201 94 L CA 0.765 55.650 54.840 0.074 0.000 0.869 94 L CB 0.268 42.346 42.059 0.033 0.000 1.123 94 L HN 0.421 nan 8.230 nan 0.000 0.484 95 E N 2.085 122.350 120.200 0.108 0.000 2.281 95 E HA 0.269 4.619 4.350 0.001 0.000 0.262 95 E C 0.643 177.306 176.600 0.104 0.000 0.933 95 E CA -0.870 55.587 56.400 0.095 0.000 0.809 95 E CB 1.809 31.563 29.700 0.090 0.000 1.242 95 E HN 0.466 nan 8.360 nan 0.000 0.418 96 L N 0.760 122.039 121.223 0.094 0.000 2.043 96 L HA -0.172 4.169 4.340 0.001 0.000 0.212 96 L C 2.064 178.999 176.870 0.108 0.000 1.075 96 L CA 1.723 56.623 54.840 0.101 0.000 0.752 96 L CB -0.622 41.493 42.059 0.093 0.000 0.891 96 L HN 0.792 nan 8.230 nan 0.000 0.432 97 G N -1.005 107.856 108.800 0.102 0.000 2.708 97 G HA2 -0.176 3.785 3.960 0.001 0.000 0.210 97 G HA3 -0.176 3.785 3.960 0.001 0.000 0.210 97 G C 0.910 175.896 174.900 0.144 0.000 1.141 97 G CA 0.314 45.476 45.100 0.104 0.000 0.788 97 G HN 0.343 nan 8.290 nan 0.000 0.531 98 D N 0.464 120.974 120.400 0.183 0.000 2.347 98 D HA 0.026 4.667 4.640 0.001 0.000 0.213 98 D C 1.115 177.574 176.300 0.264 0.000 0.985 98 D CA 0.199 54.367 54.000 0.280 0.000 0.879 98 D CB 0.122 41.090 40.800 0.281 0.000 0.919 98 D HN 0.087 nan 8.370 nan 0.000 0.526 99 S N 0.759 116.564 115.700 0.175 0.000 2.555 99 S HA 0.399 4.869 4.470 0.001 0.000 0.293 99 S C 0.341 174.998 174.600 0.095 0.000 1.248 99 S CA -0.144 58.145 58.200 0.148 0.000 1.096 99 S CB 0.645 63.916 63.200 0.120 0.000 0.881 99 S HN 0.356 nan 8.310 nan 0.000 0.498 100 A N 3.327 126.188 122.820 0.068 0.000 2.515 100 A HA 0.595 4.916 4.320 0.001 0.000 0.292 100 A C -1.679 175.783 177.584 -0.204 0.000 1.065 100 A CA -0.901 51.054 52.037 -0.136 0.000 0.641 100 A CB 0.598 19.377 19.000 -0.367 0.000 1.306 100 A HN 0.592 nan 8.150 nan 0.000 0.441 101 L N 0.906 121.940 121.223 -0.314 0.000 2.275 101 L HA 0.514 4.855 4.340 0.001 0.000 0.288 101 L C -1.372 175.163 176.870 -0.559 0.000 1.046 101 L CA -0.293 54.312 54.840 -0.392 0.000 0.805 101 L CB 0.858 42.693 42.059 -0.373 0.000 1.193 101 L HN 0.666 nan 8.230 nan 0.000 0.426 102 Y N 3.103 123.236 120.300 -0.278 0.000 2.334 102 Y HA 0.462 5.012 4.550 0.001 0.000 0.336 102 Y C -0.433 175.431 175.900 -0.059 0.000 0.960 102 Y CA -0.428 57.657 58.100 -0.026 0.000 1.164 102 Y CB 1.066 39.564 38.460 0.063 0.000 1.155 102 Y HN 0.277 nan 8.280 nan 0.000 0.478 103 F N 2.687 122.929 119.950 0.487 0.000 2.469 103 F HA 0.598 5.125 4.527 0.001 0.000 0.332 103 F C 0.176 176.228 175.800 0.420 0.000 1.103 103 F CA -1.316 56.942 58.000 0.429 0.000 0.979 103 F CB 1.180 40.423 39.000 0.406 0.000 1.137 103 F HN 0.532 nan 8.300 nan 0.000 0.463 104 c N 1.357 120.126 118.600 0.282 0.000 2.454 104 c HA 1.004 5.574 4.570 0.001 0.000 0.336 104 c C -0.318 173.716 174.090 -0.092 0.000 1.189 104 c CA -0.698 55.522 56.329 -0.181 0.000 1.877 104 c CB 0.509 42.419 42.510 -1.000 0.000 2.348 104 c HN 1.081 nan 8.230 nan 0.000 0.508 105 A N 2.257 124.943 122.820 -0.223 0.000 2.454 105 A HA 0.929 5.250 4.320 0.001 0.000 0.302 105 A C -0.195 177.327 177.584 -0.104 0.000 1.079 105 A CA -0.117 51.661 52.037 -0.432 0.000 0.731 105 A CB 1.441 19.707 19.000 -1.223 0.000 1.299 105 A HN 1.910 nan 8.150 nan 0.000 0.413 106 S N 0.551 116.224 115.700 -0.046 0.000 2.537 106 S HA 0.759 5.229 4.470 0.001 0.000 0.301 106 S C -0.011 174.663 174.600 0.124 0.000 1.092 106 S CA 0.001 58.264 58.200 0.106 0.000 1.048 106 S CB 1.399 64.651 63.200 0.086 0.000 1.053 106 S HN 1.727 nan 8.310 nan 0.000 0.501 107 S N 1.480 117.307 115.700 0.212 0.000 2.578 107 S HA 0.795 5.265 4.470 0.001 0.000 0.283 107 S C 0.113 174.836 174.600 0.205 0.000 1.195 107 S CA -0.707 57.587 58.200 0.157 0.000 1.050 107 S CB 0.983 64.289 63.200 0.176 0.000 1.012 107 S HN 1.332 nan 8.310 nan 0.000 0.511 108 A N 2.418 125.364 122.820 0.211 0.000 2.286 108 A HA 0.511 4.832 4.320 0.001 0.000 0.286 108 A C 1.328 179.001 177.584 0.148 0.000 1.097 108 A CA -0.908 51.250 52.037 0.202 0.000 0.821 108 A CB 0.289 19.462 19.000 0.289 0.000 1.076 108 A HN 0.985 nan 8.150 nan 0.000 0.490 109 R N 0.504 121.082 120.500 0.129 0.000 2.117 109 R HA -0.133 4.207 4.340 0.001 0.000 0.243 109 R C 2.104 178.451 176.300 0.077 0.000 1.143 109 R CA 1.707 57.871 56.100 0.106 0.000 0.968 109 R CB -0.345 30.009 30.300 0.089 0.000 0.863 109 R HN 0.717 nan 8.270 nan 0.000 0.444 110 S N -0.946 114.801 115.700 0.078 0.000 2.547 110 S HA -0.027 4.443 4.470 0.001 0.000 0.235 110 S C 1.363 175.982 174.600 0.032 0.000 0.980 110 S CA 1.181 59.415 58.200 0.056 0.000 0.941 110 S CB 0.029 63.271 63.200 0.069 0.000 0.763 110 S HN 0.652 nan 8.310 nan 0.000 0.532 111 G N 0.036 108.855 108.800 0.031 0.000 2.307 111 G HA2 -0.182 3.779 3.960 0.001 0.000 0.210 111 G HA3 -0.182 3.779 3.960 0.001 0.000 0.210 111 G C -0.273 174.578 174.900 -0.082 0.000 1.005 111 G CA -0.055 45.033 45.100 -0.019 0.000 0.634 111 G HN 0.560 nan 8.290 nan 0.000 0.496 112 E N 1.079 121.223 120.200 -0.093 0.000 2.373 112 E HA 0.566 4.916 4.350 0.001 0.000 0.267 112 E C 0.596 176.961 176.600 -0.391 0.000 1.032 112 E CA 0.003 56.228 56.400 -0.291 0.000 0.889 112 E CB 0.892 30.339 29.700 -0.422 0.000 0.984 112 E HN 0.372 nan 8.360 nan 0.000 0.425 113 L N 3.723 124.648 121.223 -0.497 0.000 2.289 113 L HA 0.403 4.743 4.340 0.001 0.000 0.285 113 L C -0.616 175.880 176.870 -0.624 0.000 1.049 113 L CA -0.478 54.065 54.840 -0.495 0.000 0.804 113 L CB 0.256 41.995 42.059 -0.533 0.000 1.195 113 L HN 0.455 nan 8.230 nan 0.000 0.428 114 F N 2.403 122.221 119.950 -0.219 0.000 2.467 114 F HA 0.470 4.997 4.527 0.000 0.000 0.336 114 F C 0.008 175.690 175.800 -0.196 0.000 1.123 114 F CA -0.417 57.523 58.000 -0.100 0.000 0.964 114 F CB 1.362 40.334 39.000 -0.047 0.000 1.136 114 F HN 0.166 nan 8.300 nan 0.000 0.447 115 F N 1.163 121.150 119.950 0.062 0.000 2.399 115 F HA 0.634 5.162 4.527 0.001 0.000 0.328 115 F C 1.061 176.901 175.800 0.067 0.000 1.084 115 F CA -0.535 57.471 58.000 0.010 0.000 1.053 115 F CB 0.966 39.874 39.000 -0.154 0.000 1.209 115 F HN 0.538 nan 8.300 nan 0.000 0.502 116 G N 0.520 109.489 108.800 0.281 0.000 2.553 116 G HA2 0.163 4.123 3.960 0.001 0.000 0.278 116 G HA3 0.163 4.123 3.960 0.001 0.000 0.278 116 G C 0.383 175.482 174.900 0.331 0.000 1.349 116 G CA -0.351 44.895 45.100 0.244 0.000 1.037 116 G HN 0.568 nan 8.290 nan 0.000 0.508 117 E N -0.223 120.136 120.200 0.266 0.000 2.479 117 E HA 0.227 4.577 4.350 0.001 0.000 0.193 117 E C 1.271 178.066 176.600 0.326 0.000 1.049 117 E CA 0.759 57.321 56.400 0.269 0.000 0.870 117 E CB 0.141 29.925 29.700 0.141 0.000 0.944 117 E HN 0.990 nan 8.360 nan 0.000 0.492 118 G N 0.763 109.728 108.800 0.274 0.000 2.705 118 G HA2 -0.178 3.783 3.960 0.001 0.000 0.686 118 G HA3 -0.178 3.783 3.960 0.001 0.000 0.686 118 G C -0.424 174.380 174.900 -0.160 0.000 1.285 118 G CA -0.351 44.630 45.100 -0.197 0.000 0.800 118 G HN 0.063 nan 8.290 nan 0.000 0.611 119 S N 0.470 116.073 115.700 -0.163 0.000 2.498 119 S HA 0.613 5.083 4.470 0.001 0.000 0.317 119 S C 0.393 174.925 174.600 -0.113 0.000 1.090 119 S CA -0.688 57.450 58.200 -0.103 0.000 1.089 119 S CB 1.604 64.814 63.200 0.017 0.000 0.997 119 S HN 0.751 nan 8.310 nan 0.000 0.470 120 R N 2.958 123.354 120.500 -0.173 0.000 2.229 120 R HA 0.454 4.795 4.340 0.001 0.000 0.328 120 R C -1.210 175.142 176.300 0.087 0.000 1.009 120 R CA -0.628 55.431 56.100 -0.068 0.000 0.864 120 R CB 0.382 30.595 30.300 -0.145 0.000 1.085 120 R HN 0.493 nan 8.270 nan 0.000 0.453 121 L N 3.740 125.054 121.223 0.152 0.000 2.307 121 L HA 0.432 4.772 4.340 0.001 0.000 0.284 121 L C -1.014 175.949 176.870 0.155 0.000 1.023 121 L CA 0.219 55.140 54.840 0.135 0.000 0.810 121 L CB 2.161 44.308 42.059 0.148 0.000 1.231 121 L HN 0.563 nan 8.230 nan 0.000 0.423 122 T N 4.732 119.351 114.554 0.107 0.000 2.786 122 T HA 0.539 4.889 4.350 0.001 0.000 0.283 122 T C -0.746 173.994 174.700 0.067 0.000 0.992 122 T CA -0.356 61.814 62.100 0.117 0.000 0.954 122 T CB 1.248 70.216 68.868 0.167 0.000 0.934 122 T HN 0.341 nan 8.240 nan 0.000 0.440 123 V N 5.777 125.747 119.914 0.092 0.000 2.370 123 V HA 0.493 4.614 4.120 0.001 0.000 0.283 123 V C -0.106 176.054 176.094 0.110 0.000 1.023 123 V CA -0.742 61.610 62.300 0.086 0.000 0.857 123 V CB 0.919 32.795 31.823 0.088 0.000 0.985 123 V HN 0.713 nan 8.190 nan 0.000 0.443 124 L N 3.268 124.561 121.223 0.117 0.000 2.322 124 L HA 0.529 4.870 4.340 0.001 0.000 0.269 124 L C 1.161 178.108 176.870 0.129 0.000 1.012 124 L CA -0.730 54.204 54.840 0.157 0.000 0.815 124 L CB 1.705 43.891 42.059 0.213 0.000 1.295 124 L HN 0.503 nan 8.230 nan 0.000 0.438 125 E N 0.647 120.925 120.200 0.130 0.000 2.038 125 E HA -0.165 4.185 4.350 0.001 0.000 0.195 125 E C -0.319 176.336 176.600 0.091 0.000 1.000 125 E CA 1.476 57.935 56.400 0.098 0.000 0.803 125 E CB -0.073 29.680 29.700 0.088 0.000 0.750 125 E HN 0.738 nan 8.360 nan 0.000 0.448 126 D N -2.150 118.315 120.400 0.110 0.000 2.664 126 D HA 0.160 4.800 4.640 0.001 0.000 0.292 126 D C -0.108 176.286 176.300 0.156 0.000 1.214 126 D CA -0.691 53.374 54.000 0.109 0.000 0.932 126 D CB 0.346 41.192 40.800 0.077 0.000 1.420 126 D HN 0.021 nan 8.370 nan 0.000 0.471 127 L N -0.297 121.030 121.223 0.174 0.000 2.728 127 L HA 0.247 4.587 4.340 0.001 0.000 0.238 127 L C 1.899 178.968 176.870 0.331 0.000 1.143 127 L CA -0.289 54.699 54.840 0.246 0.000 0.937 127 L CB -0.166 42.038 42.059 0.241 0.000 1.225 127 L HN 0.446 nan 8.230 nan 0.000 0.507 128 K N 0.335 120.865 120.400 0.216 0.000 2.362 128 K HA -0.109 4.212 4.320 0.001 0.000 0.200 128 K C 1.160 177.862 176.600 0.171 0.000 1.046 128 K CA 1.550 57.924 56.287 0.145 0.000 0.952 128 K CB -0.220 32.277 32.500 -0.006 0.000 0.753 128 K HN 0.313 nan 8.250 nan 0.000 0.466 129 N N 0.595 119.410 118.700 0.192 0.000 2.270 129 N HA 0.031 4.772 4.740 0.001 0.000 0.198 129 N C -0.421 175.305 175.510 0.360 0.000 1.117 129 N CA -0.244 52.932 53.050 0.210 0.000 0.845 129 N CB 0.236 38.735 38.487 0.020 0.000 0.980 129 N HN -0.045 nan 8.380 nan 0.000 0.486 130 V N 1.403 121.497 119.914 0.300 0.000 2.508 130 V HA 0.224 4.344 4.120 0.001 0.000 0.281 130 V C -0.580 175.529 176.094 0.025 0.000 1.041 130 V CA 0.041 62.553 62.300 0.354 0.000 1.016 130 V CB -0.454 31.517 31.823 0.245 0.000 0.984 130 V HN 0.065 nan 8.190 nan 0.000 0.478 131 F N 6.140 126.272 119.950 0.303 0.000 2.569 131 F HA 0.552 5.079 4.527 0.001 0.000 0.312 131 F C -2.218 173.383 175.800 -0.331 0.000 1.109 131 F CA -2.197 55.841 58.000 0.064 0.000 0.919 131 F CB 2.740 41.800 39.000 0.100 0.000 1.211 131 F HN 0.320 nan 8.300 nan 0.000 0.446 132 P HA 0.248 nan 4.420 nan 0.000 0.276 132 P C -2.829 174.238 177.300 -0.388 0.000 1.252 132 P CA -1.748 60.726 63.100 -1.043 0.000 0.802 132 P CB 0.588 31.964 31.700 -0.541 0.000 1.035 133 P HA 0.275 nan 4.420 nan 0.000 0.281 133 P C -0.433 176.849 177.300 -0.030 0.000 1.249 133 P CA -0.157 62.927 63.100 -0.027 0.000 0.810 133 P CB 0.984 32.612 31.700 -0.120 0.000 1.008 134 E N 0.031 120.255 120.200 0.040 0.000 2.266 134 E HA 0.402 4.752 4.350 0.001 0.000 0.277 134 E C -0.393 176.228 176.600 0.035 0.000 1.018 134 E CA -0.971 55.444 56.400 0.024 0.000 0.840 134 E CB 1.608 31.331 29.700 0.038 0.000 1.082 134 E HN 0.302 nan 8.360 nan 0.000 0.395 135 V N -0.657 119.261 119.914 0.007 0.000 2.735 135 V HA 0.916 5.036 4.120 0.001 0.000 0.310 135 V C -1.160 174.934 176.094 0.001 0.000 1.061 135 V CA -0.530 61.776 62.300 0.010 0.000 0.913 135 V CB 1.595 33.392 31.823 -0.042 0.000 1.005 135 V HN 0.735 nan 8.190 nan 0.000 0.428 136 A N 4.109 126.947 122.820 0.030 0.000 2.475 136 A HA 0.909 5.229 4.320 0.001 0.000 0.301 136 A C -1.096 176.461 177.584 -0.045 0.000 1.059 136 A CA -0.672 51.322 52.037 -0.072 0.000 0.710 136 A CB 2.187 21.086 19.000 -0.168 0.000 1.288 136 A HN 1.476 nan 8.150 nan 0.000 0.408 137 V N 1.591 121.415 119.914 -0.150 0.000 2.459 137 V HA 0.529 4.650 4.120 0.001 0.000 0.295 137 V C -1.204 174.785 176.094 -0.174 0.000 1.029 137 V CA -0.231 62.073 62.300 0.007 0.000 0.874 137 V CB 1.035 32.912 31.823 0.089 0.000 0.985 137 V HN 0.668 nan 8.190 nan 0.000 0.438 138 F N 2.263 122.253 119.950 0.066 0.000 2.427 138 F HA 0.488 5.015 4.527 0.001 0.000 0.346 138 F C 0.740 176.504 175.800 -0.059 0.000 1.120 138 F CA -0.712 57.298 58.000 0.017 0.000 1.033 138 F CB 1.109 40.115 39.000 0.009 0.000 1.126 138 F HN 0.468 nan 8.300 nan 0.000 0.462 139 E N 3.842 124.062 120.200 0.034 0.000 2.349 139 E HA 0.259 4.609 4.350 0.001 0.000 0.265 139 E C -2.264 174.155 176.600 -0.301 0.000 1.064 139 E CA -1.855 54.428 56.400 -0.196 0.000 0.886 139 E CB 0.343 30.029 29.700 -0.023 0.000 1.036 139 E HN 0.258 nan 8.360 nan 0.000 0.413 140 P HA -0.041 nan 4.420 nan 0.000 0.268 140 P C -0.622 176.513 177.300 -0.275 0.000 1.205 140 P CA -0.166 62.632 63.100 -0.504 0.000 0.771 140 P CB 0.606 31.826 31.700 -0.801 0.000 0.858 141 S N 1.051 116.659 115.700 -0.153 0.000 2.549 141 S HA 0.047 4.518 4.470 0.001 0.000 0.279 141 S C 1.283 175.859 174.600 -0.041 0.000 1.321 141 S CA -0.209 57.952 58.200 -0.066 0.000 1.054 141 S CB 0.731 63.903 63.200 -0.046 0.000 0.899 141 S HN 0.400 nan 8.310 nan 0.000 0.497 142 E N 3.197 123.403 120.200 0.011 0.000 2.160 142 E HA -0.088 4.263 4.350 0.001 0.000 0.195 142 E C 2.057 178.679 176.600 0.036 0.000 0.991 142 E CA 1.708 58.135 56.400 0.044 0.000 0.810 142 E CB -0.706 29.032 29.700 0.063 0.000 0.742 142 E HN 0.865 nan 8.360 nan 0.000 0.466 143 A N 0.585 123.417 122.820 0.019 0.000 1.902 143 A HA -0.236 4.084 4.320 0.001 0.000 0.217 143 A C 2.196 179.803 177.584 0.039 0.000 1.181 143 A CA 1.737 53.787 52.037 0.021 0.000 0.623 143 A CB -0.616 18.380 19.000 -0.007 0.000 0.818 143 A HN 0.414 nan 8.150 nan 0.000 0.443 144 E N -0.120 120.087 120.200 0.011 0.000 2.031 144 E HA -0.197 4.154 4.350 0.001 0.000 0.193 144 E C 1.921 178.549 176.600 0.047 0.000 0.994 144 E CA 1.433 57.847 56.400 0.023 0.000 0.800 144 E CB -0.264 29.415 29.700 -0.035 0.000 0.752 144 E HN 0.617 nan 8.360 nan 0.000 0.447 145 I N 0.871 121.455 120.570 0.023 0.000 2.113 145 I HA -0.335 3.836 4.170 0.001 0.000 0.242 145 I C 2.650 178.804 176.117 0.063 0.000 1.064 145 I CA 1.421 62.750 61.300 0.047 0.000 1.320 145 I CB -0.255 37.790 38.000 0.075 0.000 1.028 145 I HN 0.083 nan 8.210 nan 0.000 0.406 146 S N -1.108 114.635 115.700 0.072 0.000 2.382 146 S HA -0.269 4.201 4.470 0.001 0.000 0.228 146 S C 1.957 176.608 174.600 0.085 0.000 1.027 146 S CA 1.548 59.792 58.200 0.073 0.000 0.991 146 S CB -0.384 62.860 63.200 0.074 0.000 0.823 146 S HN 0.536 nan 8.310 nan 0.000 0.469 147 H N 0.480 119.553 119.070 0.005 0.000 2.465 147 H HA 0.062 4.618 4.556 0.001 0.000 0.289 147 H C 2.119 177.446 175.328 -0.001 0.000 1.022 147 H CA 1.819 57.867 56.048 0.000 0.000 1.340 147 H CB 0.171 29.929 29.762 -0.006 0.000 1.437 147 H HN 0.456 nan 8.280 nan 0.000 0.539 148 T N -4.257 110.301 114.554 0.007 0.000 2.964 148 T HA 0.098 4.449 4.350 0.001 0.000 0.249 148 T C 0.558 175.245 174.700 -0.022 0.000 1.000 148 T CA 0.165 62.244 62.100 -0.034 0.000 0.992 148 T CB 0.515 69.400 68.868 0.028 0.000 1.087 148 T HN 0.178 nan 8.240 nan 0.000 0.489 149 Q N -0.159 119.645 119.800 0.006 0.000 2.465 149 Q HA -0.109 4.232 4.340 0.001 0.000 0.248 149 Q C -0.604 175.416 176.000 0.032 0.000 0.819 149 Q CA 1.124 56.941 55.803 0.024 0.000 1.219 149 Q CB -1.927 26.820 28.738 0.015 0.000 1.472 149 Q HN 0.609 nan 8.270 nan 0.000 0.630 150 K N -0.399 120.011 120.400 0.017 0.000 2.346 150 K HA 0.883 5.204 4.320 0.001 0.000 0.238 150 K C -0.764 175.822 176.600 -0.023 0.000 1.039 150 K CA -0.006 56.283 56.287 0.004 0.000 0.861 150 K CB 1.852 34.339 32.500 -0.021 0.000 1.278 150 K HN 0.138 nan 8.250 nan 0.000 0.460 151 A N 0.741 123.520 122.820 -0.068 0.000 2.442 151 A HA 0.483 4.804 4.320 0.001 0.000 0.284 151 A C -1.216 176.205 177.584 -0.272 0.000 1.058 151 A CA -0.691 51.234 52.037 -0.187 0.000 0.738 151 A CB 0.896 19.779 19.000 -0.195 0.000 1.242 151 A HN 0.498 nan 8.150 nan 0.000 0.421 152 T N 3.159 117.542 114.554 -0.285 0.000 2.767 152 T HA 0.562 4.912 4.350 0.001 0.000 0.284 152 T C -0.259 174.234 174.700 -0.345 0.000 0.973 152 T CA -0.113 61.816 62.100 -0.284 0.000 0.996 152 T CB 0.549 69.305 68.868 -0.186 0.000 0.927 152 T HN 0.390 nan 8.240 nan 0.000 0.456 153 L N 3.306 124.297 121.223 -0.387 0.000 2.322 153 L HA 0.620 4.960 4.340 0.001 0.000 0.279 153 L C -0.202 176.644 176.870 -0.040 0.000 1.036 153 L CA -0.648 54.030 54.840 -0.269 0.000 0.807 153 L CB 1.514 43.367 42.059 -0.343 0.000 1.226 153 L HN 0.365 nan 8.230 nan 0.000 0.433 154 V N 1.423 121.439 119.914 0.169 0.000 2.495 154 V HA 0.380 4.500 4.120 0.001 0.000 0.298 154 V C -0.470 175.904 176.094 0.467 0.000 1.031 154 V CA -0.671 61.797 62.300 0.280 0.000 0.871 154 V CB 1.795 33.676 31.823 0.098 0.000 0.988 154 V HN 0.903 nan 8.190 nan 0.000 0.432 155 c N 6.722 125.600 118.600 0.464 0.000 2.341 155 c HA 0.813 5.383 4.570 0.001 0.000 0.338 155 c C -0.623 173.584 174.090 0.195 0.000 1.257 155 c CA -0.452 56.018 56.329 0.235 0.000 1.883 155 c CB 0.454 42.868 42.510 -0.160 0.000 2.334 155 c HN 0.760 nan 8.230 nan 0.000 0.524 156 L N 5.255 126.610 121.223 0.220 0.000 2.376 156 L HA 0.656 4.996 4.340 0.001 0.000 0.275 156 L C 0.191 177.154 176.870 0.154 0.000 0.987 156 L CA 0.021 54.975 54.840 0.190 0.000 0.828 156 L CB 1.386 43.593 42.059 0.247 0.000 1.249 156 L HN 0.865 nan 8.230 nan 0.000 0.409 157 A N 2.471 125.383 122.820 0.154 0.000 2.260 157 A HA 0.783 5.103 4.320 0.001 0.000 0.314 157 A C -0.028 177.776 177.584 0.368 0.000 1.257 157 A CA -0.204 51.941 52.037 0.180 0.000 0.871 157 A CB 0.419 19.449 19.000 0.049 0.000 1.166 157 A HN 0.673 nan 8.150 nan 0.000 0.522 158 T N -1.025 113.714 114.554 0.308 0.000 2.916 158 T HA 0.644 4.994 4.350 0.001 0.000 0.292 158 T C 0.668 175.500 174.700 0.219 0.000 1.055 158 T CA 0.063 62.307 62.100 0.241 0.000 1.009 158 T CB 1.417 70.358 68.868 0.123 0.000 1.118 158 T HN 2.336 nan 8.240 nan 0.000 0.497 159 G N 1.505 110.336 108.800 0.051 0.000 2.249 159 G HA2 -0.154 3.806 3.960 0.001 0.000 0.273 159 G HA3 -0.154 3.806 3.960 0.001 0.000 0.273 159 G C -0.217 174.723 174.900 0.066 0.000 1.036 159 G CA 0.403 45.478 45.100 -0.040 0.000 0.824 159 G HN 1.381 nan 8.290 nan 0.000 0.504 160 F N -1.453 118.569 119.950 0.120 0.000 2.458 160 F HA 0.867 5.394 4.527 0.001 0.000 0.330 160 F C -0.369 175.716 175.800 0.475 0.000 1.082 160 F CA -2.790 55.325 58.000 0.192 0.000 0.995 160 F CB 1.372 40.423 39.000 0.084 0.000 1.170 160 F HN 0.130 nan 8.300 nan 0.000 0.478 161 Y N 3.976 124.617 120.300 0.568 0.000 2.442 161 Y HA 0.501 5.051 4.550 0.001 0.000 0.330 161 Y C -2.813 173.477 175.900 0.651 0.000 1.100 161 Y CA -2.164 56.284 58.100 0.581 0.000 1.034 161 Y CB 2.541 41.252 38.460 0.418 0.000 1.285 161 Y HN 0.502 nan 8.280 nan 0.000 0.440 162 P HA 0.124 nan 4.420 nan 0.000 0.344 162 P C -0.074 177.389 177.300 0.272 0.000 1.321 162 P CA 0.286 63.225 63.100 -0.268 0.000 0.773 162 P CB 1.127 32.599 31.700 -0.381 0.000 1.723 163 D N -2.290 118.137 120.400 0.045 0.000 2.378 163 D HA -0.077 4.563 4.640 0.001 0.000 0.222 163 D C -0.006 176.337 176.300 0.072 0.000 0.980 163 D CA 0.709 54.611 54.000 -0.163 0.000 0.907 163 D CB -0.902 39.667 40.800 -0.384 0.000 0.899 163 D HN 0.281 nan 8.370 nan 0.000 0.527 164 H N -0.544 118.568 119.070 0.070 0.000 3.118 164 H HA 0.287 4.844 4.556 0.001 0.000 0.266 164 H C -0.156 175.163 175.328 -0.015 0.000 1.465 164 H CA -0.381 55.672 56.048 0.008 0.000 1.460 164 H CB -0.156 29.558 29.762 -0.080 0.000 1.661 164 H HN -0.186 nan 8.280 nan 0.000 0.516 165 V N 0.173 120.108 119.914 0.035 0.000 2.876 165 V HA 0.576 4.697 4.120 0.001 0.000 0.312 165 V C -0.191 175.907 176.094 0.006 0.000 1.085 165 V CA -1.127 61.139 62.300 -0.058 0.000 0.945 165 V CB 2.820 34.435 31.823 -0.348 0.000 1.017 165 V HN 0.490 nan 8.190 nan 0.000 0.428 166 E N 3.110 123.322 120.200 0.020 0.000 2.220 166 E HA 0.557 4.908 4.350 0.001 0.000 0.256 166 E C -1.268 175.339 176.600 0.012 0.000 0.881 166 E CA -0.435 56.002 56.400 0.062 0.000 0.766 166 E CB 2.534 32.327 29.700 0.156 0.000 1.187 166 E HN 0.784 nan 8.360 nan 0.000 0.419 167 L N 2.998 124.218 121.223 -0.004 0.000 2.295 167 L HA 0.556 4.896 4.340 0.001 0.000 0.285 167 L C -0.688 176.161 176.870 -0.035 0.000 1.035 167 L CA -0.144 54.662 54.840 -0.056 0.000 0.806 167 L CB 0.916 42.922 42.059 -0.089 0.000 1.214 167 L HN 0.618 nan 8.230 nan 0.000 0.426 168 S N 2.039 117.699 115.700 -0.065 0.000 2.588 168 S HA 0.592 5.062 4.470 0.001 0.000 0.275 168 S C -1.615 172.900 174.600 -0.141 0.000 1.130 168 S CA -0.830 57.336 58.200 -0.056 0.000 0.855 168 S CB 1.122 64.349 63.200 0.046 0.000 1.116 168 S HN 0.571 nan 8.310 nan 0.000 0.472 169 W N 0.641 121.840 121.300 -0.169 0.000 2.529 169 W HA 0.659 5.319 4.660 0.001 0.000 0.321 169 W C -1.491 174.855 176.519 -0.288 0.000 1.047 169 W CA -0.272 57.022 57.345 -0.086 0.000 1.216 169 W CB 1.389 30.802 29.460 -0.079 0.000 1.357 169 W HN 0.666 nan 8.180 nan 0.000 0.489 170 W N 3.691 125.119 121.300 0.215 0.000 2.475 170 W HA 0.586 5.246 4.660 0.001 0.000 0.320 170 W C -1.130 175.446 176.519 0.095 0.000 1.022 170 W CA -0.916 56.493 57.345 0.106 0.000 1.240 170 W CB 1.119 30.606 29.460 0.044 0.000 1.328 170 W HN -0.173 nan 8.180 nan 0.000 0.439 171 V N 5.122 125.157 119.914 0.200 0.000 2.357 171 V HA 0.212 4.333 4.120 0.001 0.000 0.284 171 V C 0.155 176.289 176.094 0.067 0.000 1.018 171 V CA -1.004 61.329 62.300 0.054 0.000 0.841 171 V CB 1.168 33.026 31.823 0.058 0.000 0.991 171 V HN 0.709 nan 8.190 nan 0.000 0.437 172 N N 4.290 123.001 118.700 0.018 0.000 2.708 172 N HA -0.226 4.514 4.740 0.001 0.000 0.249 172 N C 1.153 176.739 175.510 0.126 0.000 1.097 172 N CA 1.470 54.556 53.050 0.059 0.000 0.710 172 N CB -1.082 37.420 38.487 0.025 0.000 1.032 172 N HN 1.487 nan 8.380 nan 0.000 0.551 173 G N -1.858 107.072 108.800 0.217 0.000 2.176 173 G HA2 -0.317 3.643 3.960 0.001 0.000 0.253 173 G HA3 -0.317 3.643 3.960 0.001 0.000 0.253 173 G C -0.157 174.995 174.900 0.419 0.000 0.979 173 G CA 0.711 45.962 45.100 0.252 0.000 0.641 173 G HN 0.403 nan 8.290 nan 0.000 0.530 174 K N 0.625 121.235 120.400 0.351 0.000 2.259 174 K HA 0.500 4.821 4.320 0.001 0.000 0.252 174 K C -0.292 176.273 176.600 -0.058 0.000 0.936 174 K CA -0.829 55.588 56.287 0.217 0.000 0.810 174 K CB 2.284 34.839 32.500 0.092 0.000 1.143 174 K HN 0.362 nan 8.250 nan 0.000 0.427 175 E N 1.989 121.845 120.200 -0.573 0.000 2.316 175 E HA 0.193 4.544 4.350 0.001 0.000 0.275 175 E C -0.537 175.737 176.600 -0.543 0.000 1.029 175 E CA -0.570 55.203 56.400 -1.046 0.000 0.871 175 E CB 0.937 29.773 29.700 -1.441 0.000 1.022 175 E HN 0.381 nan 8.360 nan 0.000 0.418 176 V N 2.377 121.995 119.914 -0.493 0.000 2.715 176 V HA 0.404 4.524 4.120 0.001 0.000 0.310 176 V C 0.114 175.922 176.094 -0.477 0.000 1.054 176 V CA -0.473 61.630 62.300 -0.328 0.000 0.928 176 V CB 1.768 33.498 31.823 -0.156 0.000 1.007 176 V HN 0.824 nan 8.190 nan 0.000 0.437 177 H N 0.912 119.935 119.070 -0.079 0.000 3.205 177 H HA 0.303 4.860 4.556 0.001 0.000 0.252 177 H C 1.019 176.310 175.328 -0.062 0.000 1.015 177 H CA 0.519 56.535 56.048 -0.053 0.000 1.192 177 H CB 1.166 30.898 29.762 -0.049 0.000 1.474 177 H HN 0.675 nan 8.280 nan 0.000 0.484 178 S N 0.016 115.726 115.700 0.018 0.000 2.528 178 S HA 0.365 4.835 4.470 0.001 0.000 0.277 178 S C 1.230 175.773 174.600 -0.095 0.000 1.297 178 S CA 0.709 58.888 58.200 -0.035 0.000 1.052 178 S CB 0.280 63.450 63.200 -0.049 0.000 0.917 178 S HN 0.749 nan 8.310 nan 0.000 0.492 179 G N 2.386 111.130 108.800 -0.092 0.000 2.143 179 G HA2 -0.207 3.754 3.960 0.001 0.000 0.249 179 G HA3 -0.207 3.754 3.960 0.001 0.000 0.249 179 G C 0.089 174.881 174.900 -0.179 0.000 0.981 179 G CA 0.261 45.280 45.100 -0.134 0.000 0.665 179 G HN 1.511 nan 8.290 nan 0.000 0.528 180 V N 0.175 120.009 119.914 -0.133 0.000 2.555 180 V HA 0.854 4.974 4.120 0.001 0.000 0.302 180 V C 0.311 176.405 176.094 -0.001 0.000 1.038 180 V CA -0.265 61.964 62.300 -0.119 0.000 0.887 180 V CB 1.771 33.534 31.823 -0.100 0.000 0.991 180 V HN 1.575 nan 8.190 nan 0.000 0.434 181 C N 3.840 123.160 119.300 0.033 0.000 2.880 181 C HA 0.931 5.391 4.460 0.001 0.000 0.320 181 C C -0.263 174.801 174.990 0.122 0.000 1.176 181 C CA 0.281 59.344 59.018 0.074 0.000 1.390 181 C CB 0.691 28.454 27.740 0.038 0.000 1.846 181 C HN 1.425 nan 8.230 nan 0.000 0.478 182 T N 0.542 115.172 114.554 0.128 0.000 2.887 182 T HA 0.535 4.886 4.350 0.001 0.000 0.288 182 T C -0.554 174.203 174.700 0.094 0.000 1.021 182 T CA -0.220 61.960 62.100 0.134 0.000 1.000 182 T CB 1.173 70.129 68.868 0.146 0.000 1.034 182 T HN 0.820 nan 8.240 nan 0.000 0.467 183 D N 4.958 125.413 120.400 0.090 0.000 2.583 183 D HA 0.084 4.724 4.640 0.001 0.000 0.232 183 D C -1.280 175.062 176.300 0.070 0.000 1.128 183 D CA -1.036 53.010 54.000 0.075 0.000 0.859 183 D CB 1.050 41.900 40.800 0.083 0.000 1.169 183 D HN 0.434 nan 8.370 nan 0.000 0.481 184 P HA -0.104 nan 4.420 nan 0.000 0.217 184 P C 0.312 177.640 177.300 0.047 0.000 1.150 184 P CA 1.225 64.353 63.100 0.047 0.000 0.832 184 P CB 0.437 32.158 31.700 0.035 0.000 0.787 185 Q N -1.160 118.673 119.800 0.055 0.000 2.394 185 Q HA 0.446 4.786 4.340 0.001 0.000 0.273 185 Q C -2.607 173.449 176.000 0.092 0.000 1.089 185 Q CA -2.404 53.434 55.803 0.059 0.000 0.812 185 Q CB 1.315 30.085 28.738 0.054 0.000 1.353 185 Q HN -0.025 nan 8.270 nan 0.000 0.438 186 P HA 0.246 nan 4.420 nan 0.000 0.276 186 P C -0.740 176.693 177.300 0.222 0.000 1.244 186 P CA -0.643 62.568 63.100 0.185 0.000 0.801 186 P CB 0.591 32.395 31.700 0.174 0.000 1.006 187 L N 2.202 123.544 121.223 0.198 0.000 2.312 187 L HA 0.270 4.610 4.340 0.001 0.000 0.281 187 L C 0.460 177.394 176.870 0.106 0.000 1.070 187 L CA -0.134 54.785 54.840 0.133 0.000 0.805 187 L CB 0.439 42.540 42.059 0.071 0.000 1.174 187 L HN 0.201 nan 8.230 nan 0.000 0.434 188 K N 3.939 124.356 120.400 0.029 0.000 2.338 188 K HA 0.076 4.397 4.320 0.001 0.000 0.290 188 K C 0.679 177.204 176.600 -0.124 0.000 1.069 188 K CA -0.010 56.190 56.287 -0.145 0.000 0.941 188 K CB 0.639 33.065 32.500 -0.123 0.000 1.023 188 K HN 0.613 nan 8.250 nan 0.000 0.477 189 E N 2.067 122.165 120.200 -0.171 0.000 2.153 189 E HA -0.195 4.156 4.350 0.001 0.000 0.194 189 E C -0.030 176.503 176.600 -0.113 0.000 0.988 189 E CA 1.143 57.468 56.400 -0.125 0.000 0.811 189 E CB 0.220 29.835 29.700 -0.141 0.000 0.746 189 E HN 0.483 nan 8.360 nan 0.000 0.466 190 Q N -0.187 119.530 119.800 -0.138 0.000 3.122 190 Q HA 0.121 4.462 4.340 0.001 0.000 0.282 190 Q C -2.099 173.842 176.000 -0.100 0.000 0.947 190 Q CA -1.374 54.364 55.803 -0.108 0.000 0.812 190 Q CB 1.367 30.037 28.738 -0.113 0.000 1.333 190 Q HN 0.056 nan 8.270 nan 0.000 0.430 191 P HA -0.275 nan 4.420 nan 0.000 0.217 191 P C 0.984 178.259 177.300 -0.042 0.000 1.151 191 P CA 1.572 64.638 63.100 -0.057 0.000 0.849 191 P CB 0.331 32.012 31.700 -0.032 0.000 0.787 192 A N -1.062 121.734 122.820 -0.039 0.000 2.066 192 A HA -0.021 4.300 4.320 0.001 0.000 0.218 192 A C 1.241 178.805 177.584 -0.033 0.000 1.157 192 A CA 0.270 52.290 52.037 -0.028 0.000 0.670 192 A CB -1.053 17.932 19.000 -0.025 0.000 0.804 192 A HN 0.210 nan 8.150 nan 0.000 0.453 193 L N 1.370 122.562 121.223 -0.052 0.000 2.349 193 L HA 0.177 4.518 4.340 0.001 0.000 0.275 193 L C 1.433 178.272 176.870 -0.053 0.000 1.115 193 L CA -0.016 54.788 54.840 -0.060 0.000 0.820 193 L CB 0.342 42.347 42.059 -0.089 0.000 1.135 193 L HN 0.474 nan 8.230 nan 0.000 0.445 194 N N 2.543 121.224 118.700 -0.030 0.000 2.142 194 N HA -0.165 4.575 4.740 0.001 0.000 0.186 194 N C 0.198 175.718 175.510 0.017 0.000 1.023 194 N CA 1.432 54.487 53.050 0.007 0.000 0.852 194 N CB -0.399 38.103 38.487 0.026 0.000 0.998 194 N HN 0.764 nan 8.380 nan 0.000 0.424 195 D N 0.296 120.651 120.400 -0.075 0.000 2.706 195 D HA 0.075 4.716 4.640 0.001 0.000 0.236 195 D C -0.323 175.742 176.300 -0.391 0.000 1.231 195 D CA -0.524 53.323 54.000 -0.255 0.000 0.828 195 D CB -0.317 40.230 40.800 -0.422 0.000 1.015 195 D HN 0.094 nan 8.370 nan 0.000 0.484 196 S N 0.544 116.116 115.700 -0.214 0.000 2.558 196 S HA 0.019 4.489 4.470 0.001 0.000 0.293 196 S C 0.635 175.023 174.600 -0.353 0.000 1.292 196 S CA -0.465 57.570 58.200 -0.275 0.000 1.063 196 S CB 0.489 63.532 63.200 -0.263 0.000 0.831 196 S HN 0.206 nan 8.310 nan 0.000 0.499 197 R N 2.290 122.611 120.500 -0.298 0.000 2.707 197 R HA 0.238 4.579 4.340 0.001 0.000 0.270 197 R C -0.809 175.205 176.300 -0.477 0.000 1.083 197 R CA 0.024 55.983 56.100 -0.236 0.000 1.182 197 R CB 0.300 30.481 30.300 -0.200 0.000 1.084 197 R HN 0.627 nan 8.270 nan 0.000 0.528 198 Y N -0.843 119.174 120.300 -0.473 0.000 2.487 198 Y HA 0.536 5.087 4.550 0.001 0.000 0.337 198 Y C 0.219 175.669 175.900 -0.751 0.000 1.076 198 Y CA -0.766 56.915 58.100 -0.698 0.000 1.115 198 Y CB 2.004 39.876 38.460 -0.980 0.000 1.235 198 Y HN 0.617 nan 8.280 nan 0.000 0.468 199 A N 2.266 125.014 122.820 -0.121 0.000 2.374 199 A HA 0.835 5.155 4.320 0.001 0.000 0.317 199 A C -2.029 175.714 177.584 0.264 0.000 1.094 199 A CA -0.668 51.430 52.037 0.103 0.000 0.765 199 A CB 1.433 20.471 19.000 0.063 0.000 1.268 199 A HN 0.675 nan 8.150 nan 0.000 0.438 200 L N 1.676 123.117 121.223 0.363 0.000 2.455 200 L HA 0.751 5.091 4.340 0.001 0.000 0.264 200 L C -0.140 176.836 176.870 0.177 0.000 0.968 200 L CA 0.162 55.166 54.840 0.272 0.000 0.827 200 L CB 2.303 44.554 42.059 0.319 0.000 1.317 200 L HN 0.940 nan 8.230 nan 0.000 0.407 201 S N 2.517 118.296 115.700 0.131 0.000 2.568 201 S HA 0.927 5.398 4.470 0.001 0.000 0.302 201 S C -0.708 173.972 174.600 0.135 0.000 1.082 201 S CA -0.488 57.780 58.200 0.113 0.000 1.009 201 S CB 1.845 65.089 63.200 0.072 0.000 1.069 201 S HN 0.848 nan 8.310 nan 0.000 0.500 202 S N 0.439 116.254 115.700 0.191 0.000 2.546 202 S HA 0.694 5.165 4.470 0.001 0.000 0.274 202 S C -1.464 173.376 174.600 0.401 0.000 1.121 202 S CA -0.837 57.546 58.200 0.305 0.000 0.887 202 S CB 1.214 64.640 63.200 0.376 0.000 1.094 202 S HN 0.804 nan 8.310 nan 0.000 0.474 203 R N 1.569 122.228 120.500 0.265 0.000 2.562 203 R HA 0.695 5.036 4.340 0.001 0.000 0.298 203 R C -1.388 174.753 176.300 -0.264 0.000 0.961 203 R CA -0.658 55.470 56.100 0.048 0.000 0.881 203 R CB 1.704 31.987 30.300 -0.029 0.000 1.159 203 R HN 0.467 nan 8.270 nan 0.000 0.450 204 L N 2.057 122.859 121.223 -0.702 0.000 2.343 204 L HA 0.531 4.871 4.340 0.001 0.000 0.278 204 L C -0.968 175.574 176.870 -0.546 0.000 0.996 204 L CA -0.316 53.976 54.840 -0.915 0.000 0.831 204 L CB 1.415 42.423 42.059 -1.751 0.000 1.232 204 L HN 0.539 nan 8.230 nan 0.000 0.413 205 R N 4.457 124.742 120.500 -0.357 0.000 2.295 205 R HA 0.775 5.115 4.340 0.001 0.000 0.324 205 R C -0.949 175.233 176.300 -0.197 0.000 0.968 205 R CA -0.552 55.399 56.100 -0.248 0.000 0.837 205 R CB 1.346 31.543 30.300 -0.171 0.000 1.133 205 R HN 0.670 nan 8.270 nan 0.000 0.450 206 V N 0.735 120.563 119.914 -0.144 0.000 3.166 206 V HA 0.645 4.765 4.120 0.001 0.000 0.317 206 V C 0.045 176.155 176.094 0.027 0.000 1.136 206 V CA -0.946 61.322 62.300 -0.053 0.000 1.035 206 V CB 1.686 33.573 31.823 0.107 0.000 1.110 206 V HN 0.861 nan 8.190 nan 0.000 0.450 207 S N 0.777 116.532 115.700 0.092 0.000 2.585 207 S HA 0.525 4.996 4.470 0.001 0.000 0.273 207 S C 1.329 176.057 174.600 0.213 0.000 1.339 207 S CA 0.097 58.373 58.200 0.127 0.000 1.028 207 S CB 1.045 64.323 63.200 0.131 0.000 0.906 207 S HN 1.906 nan 8.310 nan 0.000 0.528 208 A N 2.767 125.685 122.820 0.164 0.000 1.908 208 A HA -0.055 4.265 4.320 0.001 0.000 0.218 208 A C 2.301 180.031 177.584 0.244 0.000 1.181 208 A CA 2.244 54.405 52.037 0.207 0.000 0.627 208 A CB -2.015 17.069 19.000 0.140 0.000 0.818 208 A HN 0.930 nan 8.150 nan 0.000 0.445 209 T N -0.929 113.740 114.554 0.191 0.000 2.665 209 T HA -0.203 4.148 4.350 0.001 0.000 0.268 209 T C 1.615 176.439 174.700 0.207 0.000 1.035 209 T CA 1.756 63.956 62.100 0.166 0.000 1.151 209 T CB -0.447 68.504 68.868 0.139 0.000 0.862 209 T HN 0.461 nan 8.240 nan 0.000 0.438 210 F N 0.458 120.501 119.950 0.154 0.000 2.134 210 F HA -0.069 4.458 4.527 0.001 0.000 0.299 210 F C 2.266 178.254 175.800 0.313 0.000 1.097 210 F CA 1.303 59.425 58.000 0.203 0.000 1.264 210 F CB -0.196 38.931 39.000 0.211 0.000 1.001 210 F HN 0.319 nan 8.300 nan 0.000 0.479 211 W N 1.225 122.705 121.300 0.301 0.000 2.425 211 W HA -0.144 4.516 4.660 0.001 0.000 0.277 211 W C 0.980 177.578 176.519 0.131 0.000 1.231 211 W CA 1.034 58.497 57.345 0.197 0.000 1.248 211 W CB -0.369 29.122 29.460 0.052 0.000 1.117 211 W HN 0.139 nan 8.180 nan 0.000 0.568 212 Q N 0.588 120.384 119.800 -0.006 0.000 2.253 212 Q HA 0.025 4.365 4.340 0.001 0.000 0.210 212 Q C -0.207 175.709 176.000 -0.140 0.000 0.907 212 Q CA 0.072 55.806 55.803 -0.114 0.000 0.948 212 Q CB -0.331 28.428 28.738 0.035 0.000 1.033 212 Q HN 0.199 nan 8.270 nan 0.000 0.471 213 N N 0.566 119.153 118.700 -0.188 0.000 2.476 213 N HA 0.162 4.902 4.740 0.001 0.000 0.257 213 N C -2.275 173.139 175.510 -0.160 0.000 0.970 213 N CA -2.183 50.765 53.050 -0.170 0.000 0.938 213 N CB 1.306 39.662 38.487 -0.218 0.000 1.144 213 N HN -0.162 nan 8.380 nan 0.000 0.500 214 P HA -0.027 nan 4.420 nan 0.000 0.228 214 P C 0.666 178.015 177.300 0.082 0.000 1.151 214 P CA 0.875 63.946 63.100 -0.048 0.000 0.770 214 P CB 0.243 31.894 31.700 -0.081 0.000 0.786 215 R N -1.295 119.228 120.500 0.040 0.000 2.246 215 R HA 0.105 4.446 4.340 0.001 0.000 0.199 215 R C 0.415 176.801 176.300 0.143 0.000 0.984 215 R CA 0.079 56.254 56.100 0.125 0.000 1.015 215 R CB -0.377 29.934 30.300 0.019 0.000 0.930 215 R HN 0.272 nan 8.270 nan 0.000 0.475 216 N N 0.916 119.583 118.700 -0.055 0.000 2.470 216 N HA -0.030 4.710 4.740 0.001 0.000 0.268 216 N C -0.966 174.335 175.510 -0.348 0.000 1.136 216 N CA 0.094 52.954 53.050 -0.317 0.000 0.961 216 N CB 0.530 38.665 38.487 -0.586 0.000 1.067 216 N HN 0.156 nan 8.380 nan 0.000 0.468 217 H N 3.669 122.292 119.070 -0.746 0.000 2.505 217 H HA 0.316 4.873 4.556 0.001 0.000 0.338 217 H C -1.379 173.490 175.328 -0.764 0.000 1.057 217 H CA -0.612 54.856 56.048 -0.965 0.000 1.202 217 H CB 0.617 29.609 29.762 -1.283 0.000 1.466 217 H HN 0.397 nan 8.280 nan 0.000 0.499 218 F N 4.110 123.647 119.950 -0.690 0.000 2.493 218 F HA 0.435 4.962 4.527 0.001 0.000 0.329 218 F C 0.311 175.892 175.800 -0.366 0.000 1.126 218 F CA -0.808 57.037 58.000 -0.258 0.000 0.937 218 F CB 1.684 40.750 39.000 0.109 0.000 1.146 218 F HN 0.367 nan 8.300 nan 0.000 0.442 219 R N 2.408 122.935 120.500 0.045 0.000 2.575 219 R HA 0.631 4.971 4.340 0.001 0.000 0.293 219 R C -1.657 174.705 176.300 0.103 0.000 0.983 219 R CA -0.529 55.590 56.100 0.031 0.000 0.887 219 R CB 1.625 31.921 30.300 -0.006 0.000 1.184 219 R HN 0.889 nan 8.270 nan 0.000 0.445 220 c N 4.389 122.907 118.600 -0.136 0.000 2.325 220 c HA 0.369 4.939 4.570 0.001 0.000 0.347 220 c C -0.220 173.739 174.090 -0.219 0.000 1.263 220 c CA -0.201 55.852 56.329 -0.459 0.000 1.806 220 c CB 0.659 42.736 42.510 -0.722 0.000 2.405 220 c HN 0.897 nan 8.230 nan 0.000 0.537 221 Q N 4.662 124.383 119.800 -0.131 0.000 2.322 221 Q HA 0.656 4.996 4.340 0.001 0.000 0.265 221 Q C -1.606 174.338 176.000 -0.093 0.000 0.985 221 Q CA -0.469 55.291 55.803 -0.071 0.000 0.849 221 Q CB 1.592 30.341 28.738 0.019 0.000 1.274 221 Q HN 0.695 nan 8.270 nan 0.000 0.449 222 V N 4.272 124.117 119.914 -0.115 0.000 2.350 222 V HA 0.202 4.322 4.120 0.001 0.000 0.285 222 V C -0.459 175.566 176.094 -0.115 0.000 1.014 222 V CA -0.762 61.464 62.300 -0.123 0.000 0.831 222 V CB 1.291 33.017 31.823 -0.162 0.000 1.000 222 V HN 0.790 nan 8.190 nan 0.000 0.433 223 Q N 3.996 123.729 119.800 -0.112 0.000 2.288 223 Q HA 0.416 4.757 4.340 0.001 0.000 0.258 223 Q C -1.215 174.641 176.000 -0.240 0.000 0.957 223 Q CA 0.053 55.735 55.803 -0.203 0.000 0.919 223 Q CB 0.971 29.577 28.738 -0.219 0.000 1.185 223 Q HN 0.607 nan 8.270 nan 0.000 0.408 224 F N 4.757 124.445 119.950 -0.437 0.000 2.458 224 F HA 0.481 5.009 4.527 0.001 0.000 0.336 224 F C -1.688 173.810 175.800 -0.504 0.000 1.114 224 F CA -0.895 56.887 58.000 -0.363 0.000 0.987 224 F CB 0.887 39.752 39.000 -0.224 0.000 1.130 224 F HN 0.545 nan 8.300 nan 0.000 0.458 225 Y N 4.909 124.644 120.300 -0.942 0.000 2.331 225 Y HA 0.620 5.170 4.550 0.001 0.000 0.338 225 Y C 0.603 175.736 175.900 -1.279 0.000 0.976 225 Y CA -0.114 57.474 58.100 -0.853 0.000 1.137 225 Y CB 1.483 39.578 38.460 -0.609 0.000 1.172 225 Y HN 0.790 nan 8.280 nan 0.000 0.478 226 G N 1.727 110.081 108.800 -0.745 0.000 3.377 226 G HA2 0.406 4.366 3.960 0.001 0.000 0.182 226 G HA3 0.406 4.366 3.960 0.001 0.000 0.182 226 G C -1.122 173.660 174.900 -0.196 0.000 1.166 226 G CA -0.740 44.083 45.100 -0.461 0.000 0.771 226 G HN 0.265 nan 8.290 nan 0.000 0.701 227 L N 0.897 122.049 121.223 -0.117 0.000 2.452 227 L HA 0.424 4.764 4.340 0.001 0.000 0.267 227 L C 1.494 178.312 176.870 -0.088 0.000 1.188 227 L CA 0.324 55.104 54.840 -0.100 0.000 0.821 227 L CB 1.700 43.674 42.059 -0.141 0.000 1.102 227 L HN 0.358 nan 8.230 nan 0.000 0.470 228 S N 1.386 117.051 115.700 -0.058 0.000 2.582 228 S HA 0.115 4.586 4.470 0.001 0.000 0.249 228 S C 0.920 175.499 174.600 -0.035 0.000 1.072 228 S CA -0.111 58.063 58.200 -0.044 0.000 1.115 228 S CB -0.677 62.503 63.200 -0.034 0.000 0.790 228 S HN 0.646 nan 8.310 nan 0.000 0.459 229 E N 0.772 120.946 120.200 -0.045 0.000 4.570 229 E HA -0.307 4.044 4.350 0.001 0.000 0.259 229 E C 0.631 177.223 176.600 -0.013 0.000 0.782 229 E CA 2.263 58.642 56.400 -0.034 0.000 1.422 229 E CB -1.601 28.080 29.700 -0.031 0.000 1.734 229 E HN 0.904 nan 8.360 nan 0.000 0.390 230 N N 1.001 119.697 118.700 -0.007 0.000 2.392 230 N HA -0.000 4.740 4.740 0.001 0.000 0.177 230 N C 0.197 175.719 175.510 0.020 0.000 1.066 230 N CA 0.392 53.444 53.050 0.005 0.000 0.895 230 N CB 0.176 38.662 38.487 -0.001 0.000 0.988 230 N HN 0.020 nan 8.380 nan 0.000 0.457 231 D N 1.731 122.144 120.400 0.022 0.000 2.414 231 D HA 0.026 4.666 4.640 0.001 0.000 0.242 231 D C 0.132 176.490 176.300 0.097 0.000 1.129 231 D CA 0.340 54.371 54.000 0.052 0.000 0.885 231 D CB 0.793 41.622 40.800 0.048 0.000 1.198 231 D HN 0.199 nan 8.370 nan 0.000 0.437 232 E N 1.063 121.335 120.200 0.119 0.000 2.366 232 E HA 0.157 4.507 4.350 0.001 0.000 0.266 232 E C -0.286 176.490 176.600 0.293 0.000 1.051 232 E CA -0.045 56.446 56.400 0.151 0.000 0.884 232 E CB 1.523 31.277 29.700 0.091 0.000 1.006 232 E HN 0.486 nan 8.360 nan 0.000 0.417 233 W N 2.751 124.047 121.300 -0.006 0.000 2.802 233 W HA 0.070 4.731 4.660 0.001 0.000 0.331 233 W C 0.045 176.558 176.519 -0.010 0.000 1.021 233 W CA -0.455 56.883 57.345 -0.011 0.000 1.259 233 W CB 1.484 30.936 29.460 -0.013 0.000 1.323 233 W HN 0.537 nan 8.180 nan 0.000 0.432 234 T N -0.394 113.915 114.554 -0.407 0.000 3.040 234 T HA 0.106 4.456 4.350 0.001 0.000 0.250 234 T C 0.706 175.134 174.700 -0.453 0.000 1.058 234 T CA 0.190 62.096 62.100 -0.322 0.000 0.988 234 T CB 0.474 69.207 68.868 -0.224 0.000 0.993 234 T HN 0.351 nan 8.240 nan 0.000 0.519 235 Q N 1.383 120.634 119.800 -0.915 0.000 2.535 235 Q HA 0.146 4.486 4.340 0.001 0.000 0.228 235 Q C 0.309 176.150 176.000 -0.265 0.000 1.062 235 Q CA 0.104 55.502 55.803 -0.674 0.000 0.967 235 Q CB 0.539 28.686 28.738 -0.985 0.000 1.273 235 Q HN 0.383 nan 8.270 nan 0.000 0.554 236 D N 0.100 120.445 120.400 -0.091 0.000 2.367 236 D HA 0.011 4.651 4.640 0.001 0.000 0.207 236 D C 0.695 177.056 176.300 0.102 0.000 1.034 236 D CA 0.264 54.272 54.000 0.013 0.000 0.861 236 D CB 0.675 41.476 40.800 0.001 0.000 0.943 236 D HN 0.416 nan 8.370 nan 0.000 0.515 237 R N 0.581 121.192 120.500 0.184 0.000 2.517 237 R HA 0.618 4.958 4.340 0.001 0.000 0.250 237 R C 0.092 176.574 176.300 0.303 0.000 1.213 237 R CA -0.698 55.536 56.100 0.223 0.000 1.146 237 R CB 0.505 30.939 30.300 0.223 0.000 1.279 237 R HN -0.251 nan 8.270 nan 0.000 0.597 238 A N 0.896 123.814 122.820 0.164 0.000 2.388 238 A HA 0.142 4.462 4.320 0.001 0.000 0.257 238 A C -0.159 177.334 177.584 -0.152 0.000 1.095 238 A CA -0.449 51.621 52.037 0.055 0.000 0.791 238 A CB 0.204 19.203 19.000 -0.002 0.000 1.029 238 A HN 0.704 nan 8.150 nan 0.000 0.489 239 K N 2.867 123.041 120.400 -0.377 0.000 2.436 239 K HA 0.143 4.463 4.320 0.001 0.000 0.282 239 K C -2.214 173.998 176.600 -0.647 0.000 1.044 239 K CA -1.102 54.588 56.287 -0.995 0.000 1.028 239 K CB 0.299 32.441 32.500 -0.598 0.000 0.919 239 K HN 0.341 nan 8.250 nan 0.000 0.474 240 P HA -0.000 nan 4.420 nan 0.000 0.237 240 P C -0.447 176.777 177.300 -0.127 0.000 1.788 240 P CA -0.372 62.528 63.100 -0.333 0.000 1.061 240 P CB -0.182 31.321 31.700 -0.328 0.000 1.967 241 V N -0.619 119.220 119.914 -0.125 0.000 3.133 241 V HA 0.311 4.432 4.120 0.001 0.000 0.305 241 V C 0.638 176.735 176.094 0.005 0.000 1.084 241 V CA -0.371 61.882 62.300 -0.079 0.000 1.089 241 V CB -0.334 31.432 31.823 -0.095 0.000 1.073 241 V HN 0.162 nan 8.190 nan 0.000 0.477 242 T N 4.377 118.878 114.554 -0.089 0.000 2.866 242 T HA 0.336 4.687 4.350 0.001 0.000 0.293 242 T C -0.007 174.626 174.700 -0.111 0.000 1.005 242 T CA 0.574 62.573 62.100 -0.169 0.000 1.162 242 T CB -0.535 68.225 68.868 -0.180 0.000 0.968 242 T HN 1.061 nan 8.240 nan 0.000 0.530 243 Q N 1.901 121.644 119.800 -0.095 0.000 2.578 243 Q HA 0.563 4.904 4.340 0.001 0.000 0.284 243 Q C -1.425 174.517 176.000 -0.096 0.000 0.960 243 Q CA -1.204 54.556 55.803 -0.073 0.000 0.809 243 Q CB 1.176 29.905 28.738 -0.015 0.000 1.462 243 Q HN 0.599 nan 8.270 nan 0.000 0.392 244 I N -0.354 120.150 120.570 -0.110 0.000 2.392 244 I HA 0.706 4.877 4.170 0.001 0.000 0.295 244 I C -1.260 174.800 176.117 -0.094 0.000 0.985 244 I CA -0.490 60.741 61.300 -0.115 0.000 1.221 244 I CB 1.874 39.794 38.000 -0.133 0.000 1.366 244 I HN 0.440 nan 8.210 nan 0.000 0.467 245 V N 5.496 125.353 119.914 -0.095 0.000 2.555 245 V HA 0.639 4.760 4.120 0.001 0.000 0.302 245 V C 0.137 176.175 176.094 -0.095 0.000 1.038 245 V CA -0.302 61.946 62.300 -0.087 0.000 0.887 245 V CB 1.372 33.143 31.823 -0.086 0.000 0.991 245 V HN 0.930 nan 8.190 nan 0.000 0.434 246 S N 1.984 117.634 115.700 -0.083 0.000 2.568 246 S HA 0.937 5.407 4.470 0.001 0.000 0.293 246 S C -0.390 174.174 174.600 -0.060 0.000 1.089 246 S CA -0.350 57.799 58.200 -0.085 0.000 0.945 246 S CB 2.038 65.184 63.200 -0.089 0.000 1.077 246 S HN 1.159 nan 8.310 nan 0.000 0.485 247 A N 1.758 124.540 122.820 -0.063 0.000 2.498 247 A HA 0.860 5.181 4.320 0.001 0.000 0.298 247 A C -1.098 176.476 177.584 -0.018 0.000 1.075 247 A CA -0.817 51.199 52.037 -0.034 0.000 0.714 247 A CB 1.391 20.364 19.000 -0.046 0.000 1.299 247 A HN 0.839 nan 8.150 nan 0.000 0.407 248 E N -0.001 120.212 120.200 0.021 0.000 2.416 248 E HA 0.813 5.163 4.350 0.001 0.000 0.273 248 E C -0.800 175.848 176.600 0.079 0.000 0.935 248 E CA -1.047 55.363 56.400 0.016 0.000 0.784 248 E CB 2.221 31.931 29.700 0.017 0.000 1.301 248 E HN 1.302 nan 8.360 nan 0.000 0.454 249 A N 1.082 123.945 122.820 0.071 0.000 2.486 249 A HA 0.579 4.900 4.320 0.001 0.000 0.300 249 A C -2.040 175.662 177.584 0.197 0.000 1.048 249 A CA -0.808 51.375 52.037 0.243 0.000 0.696 249 A CB 0.736 19.962 19.000 0.378 0.000 1.278 249 A HN 0.600 nan 8.150 nan 0.000 0.405 250 W N 1.043 122.505 121.300 0.270 0.000 2.516 250 W HA 0.553 5.213 4.660 0.001 0.000 0.343 250 W C 0.978 177.443 176.519 -0.089 0.000 1.094 250 W CA 0.316 57.761 57.345 0.166 0.000 1.250 250 W CB 1.537 31.054 29.460 0.096 0.000 1.308 250 W HN 1.026 nan 8.180 nan 0.000 0.588 251 G N 1.411 110.235 108.800 0.040 0.000 2.594 251 G HA2 0.434 4.394 3.960 0.001 0.000 0.243 251 G HA3 0.434 4.394 3.960 0.001 0.000 0.243 251 G C -0.819 173.737 174.900 -0.573 0.000 1.229 251 G CA -0.604 44.131 45.100 -0.607 0.000 0.843 251 G HN 0.494 nan 8.290 nan 0.000 0.578 252 R N 1.009 120.969 120.500 -0.900 0.000 2.468 252 R HA 0.455 4.796 4.340 0.001 0.000 0.302 252 R C 0.898 177.039 176.300 -0.265 0.000 1.041 252 R CA -0.195 55.678 56.100 -0.379 0.000 0.899 252 R CB 1.730 31.956 30.300 -0.124 0.000 1.167 252 R HN 0.574 nan 8.270 nan 0.000 0.483 253 A N 3.107 125.839 122.820 -0.148 0.000 1.821 253 A HA -0.108 4.213 4.320 0.001 0.000 0.215 253 A C 0.131 177.709 177.584 -0.009 0.000 1.214 253 A CA 1.443 53.437 52.037 -0.072 0.000 0.608 253 A CB -0.809 18.157 19.000 -0.056 0.000 0.862 253 A HN 0.916 nan 8.150 nan 0.000 0.448 254 D N 0.000 120.399 120.400 -0.002 0.000 6.856 254 D HA 0.000 4.640 4.640 0.001 0.000 0.175 254 D CA 0.000 54.015 54.000 0.024 0.000 0.868 254 D CB 0.000 40.820 40.800 0.033 0.000 0.688 254 D HN 0.000 nan 8.370 nan 0.000 0.683