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 3b3v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPPITQQATV TAWLPQVDAS QITGTISSLE SFTNRFYTTT SGAQASDWIA DATA SEQUENCE SEWQALSASL PNASVKQVSH SGYNQKSVVM TITGSEAPDE WIVIGGHLDS DATA SEQUENCE TIGSHTNEQS VAPGADDDAS GIAAVTEVIR VLSENNFQPK RSIAFMAYAA DATA SEQUENCE EEVGLRGSQD LANQYKSEGK NVVSALQLDM TNYKGSAQDV VFITDYTDSN DATA SEQUENCE FTQYLTQLMD EYLPSLTYGF DTcGYAcADH ASWHNAGYPA AMPFESKFND DATA SEQUENCE YNPRIHTTQD TLANSDPTGS HAKKFTQLGL AYAIEMGSAT G 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.218 176.300 -0.136 0.000 1.140 1 M CA 0.000 55.171 55.300 -0.215 0.000 0.988 1 M CB 0.000 32.438 32.600 -0.270 0.000 1.302 2 P HA 0.564 nan 4.420 nan 0.000 0.277 2 P C -2.692 174.662 177.300 0.091 0.000 1.240 2 P CA -0.748 62.332 63.100 -0.033 0.000 0.798 2 P CB -0.405 31.269 31.700 -0.044 0.000 0.979 3 P HA 0.165 nan 4.420 nan 0.000 0.269 3 P C -0.046 177.331 177.300 0.129 0.000 1.215 3 P CA -0.001 63.157 63.100 0.097 0.000 0.780 3 P CB 0.706 32.436 31.700 0.051 0.000 0.898 4 I N 2.185 122.824 120.570 0.115 0.000 2.436 4 I HA 0.037 4.208 4.170 0.001 0.000 0.289 4 I C 1.409 177.570 176.117 0.073 0.000 1.083 4 I CA 0.456 61.821 61.300 0.108 0.000 1.372 4 I CB 0.323 38.335 38.000 0.019 0.000 1.408 4 I HN 0.513 nan 8.210 nan 0.000 0.516 5 T N 0.803 115.411 114.554 0.091 0.000 3.130 5 T HA 0.115 4.466 4.350 0.001 0.000 0.288 5 T C 0.760 175.489 174.700 0.049 0.000 0.936 5 T CA -0.317 61.816 62.100 0.055 0.000 0.897 5 T CB 0.343 69.234 68.868 0.038 0.000 1.178 5 T HN 0.410 nan 8.240 nan 0.000 0.543 6 Q N 1.167 121.010 119.800 0.073 0.000 2.225 6 Q HA 0.359 4.699 4.340 0.001 0.000 0.259 6 Q C 0.978 176.981 176.000 0.005 0.000 0.872 6 Q CA -0.000 55.804 55.803 0.002 0.000 1.042 6 Q CB 0.851 29.564 28.738 -0.042 0.000 1.142 6 Q HN 0.547 nan 8.270 nan 0.000 0.463 7 Q N 0.669 120.527 119.800 0.098 0.000 2.135 7 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 7 Q C 2.000 178.007 176.000 0.011 0.000 0.981 7 Q CA 1.962 57.868 55.803 0.172 0.000 0.856 7 Q CB -0.246 28.569 28.738 0.129 0.000 0.902 7 Q HN 0.487 nan 8.270 nan 0.000 0.425 8 A N -0.069 122.719 122.820 -0.052 0.000 1.877 8 A HA -0.213 4.107 4.320 0.001 0.000 0.216 8 A C 2.257 179.703 177.584 -0.230 0.000 1.186 8 A CA 2.015 53.992 52.037 -0.100 0.000 0.620 8 A CB -1.009 17.941 19.000 -0.083 0.000 0.822 8 A HN 0.391 nan 8.150 nan 0.000 0.443 9 T N -0.416 113.923 114.554 -0.360 0.000 2.737 9 T HA -0.089 4.262 4.350 0.001 0.000 0.265 9 T C 1.907 176.139 174.700 -0.780 0.000 1.038 9 T CA 1.518 63.163 62.100 -0.757 0.000 1.144 9 T CB -0.435 67.935 68.868 -0.830 0.000 0.866 9 T HN 0.147 nan 8.240 nan 0.000 0.434 10 V N 2.426 122.027 119.914 -0.521 0.000 2.295 10 V HA -0.189 3.932 4.120 0.001 0.000 0.246 10 V C 3.037 178.920 176.094 -0.352 0.000 1.049 10 V CA 2.211 64.191 62.300 -0.534 0.000 1.024 10 V CB -1.401 29.858 31.823 -0.940 0.000 0.648 10 V HN 0.731 nan 8.190 nan 0.000 0.447 11 T N -1.361 113.067 114.554 -0.210 0.000 2.962 11 T HA -0.025 4.326 4.350 0.001 0.000 0.270 11 T C 1.811 176.480 174.700 -0.051 0.000 1.088 11 T CA 1.281 63.341 62.100 -0.066 0.000 1.127 11 T CB -0.263 68.618 68.868 0.023 0.000 0.883 11 T HN 0.449 nan 8.240 nan 0.000 0.493 12 A N 0.440 123.194 122.820 -0.110 0.000 1.930 12 A HA 0.161 4.482 4.320 0.001 0.000 0.215 12 A C 1.995 179.710 177.584 0.219 0.000 1.176 12 A CA 0.730 52.777 52.037 0.017 0.000 0.632 12 A CB -0.793 18.182 19.000 -0.042 0.000 0.819 12 A HN 0.666 nan 8.150 nan 0.000 0.445 13 W N -1.202 120.044 121.300 -0.089 0.000 2.762 13 W HA 0.267 4.927 4.660 0.000 0.000 0.265 13 W C 1.527 177.988 176.519 -0.097 0.000 1.263 13 W CA -0.428 56.857 57.345 -0.099 0.000 1.411 13 W CB -1.011 28.366 29.460 -0.139 0.000 1.065 13 W HN 0.206 nan 8.180 nan 0.000 0.609 14 L N 1.075 122.351 121.223 0.088 0.000 2.043 14 L HA -0.151 4.190 4.340 0.001 0.000 0.212 14 L C -0.447 176.446 176.870 0.038 0.000 1.075 14 L CA 2.135 56.991 54.840 0.027 0.000 0.752 14 L CB -2.144 39.897 42.059 -0.030 0.000 0.891 14 L HN -0.190 nan 8.230 nan 0.000 0.432 15 P HA -0.150 nan 4.420 nan 0.000 0.225 15 P C 1.257 178.577 177.300 0.034 0.000 1.148 15 P CA 1.012 64.135 63.100 0.038 0.000 0.779 15 P CB -0.042 31.683 31.700 0.042 0.000 0.780 16 Q N -1.080 118.743 119.800 0.040 0.000 2.378 16 Q HA 0.029 4.369 4.340 0.001 0.000 0.205 16 Q C 0.299 176.296 176.000 -0.005 0.000 0.954 16 Q CA 0.199 56.007 55.803 0.008 0.000 0.901 16 Q CB -0.085 28.639 28.738 -0.023 0.000 0.981 16 Q HN 0.106 nan 8.270 nan 0.000 0.483 17 V N 2.689 122.608 119.914 0.007 0.000 2.540 17 V HA -0.054 4.067 4.120 0.001 0.000 0.297 17 V C -0.050 176.051 176.094 0.012 0.000 1.024 17 V CA 0.387 62.691 62.300 0.007 0.000 1.105 17 V CB 0.623 32.455 31.823 0.015 0.000 0.938 17 V HN 0.124 nan 8.190 nan 0.000 0.482 18 D N 4.092 124.499 120.400 0.012 0.000 2.453 18 D HA 0.512 5.152 4.640 0.001 0.000 0.238 18 D C 0.733 177.050 176.300 0.027 0.000 1.088 18 D CA -0.081 53.928 54.000 0.016 0.000 0.854 18 D CB 1.869 42.674 40.800 0.008 0.000 1.076 18 D HN 0.494 nan 8.370 nan 0.000 0.533 19 A N 3.002 125.841 122.820 0.031 0.000 1.986 19 A HA -0.180 4.141 4.320 0.001 0.000 0.220 19 A C 2.087 179.696 177.584 0.041 0.000 1.171 19 A CA 1.933 53.994 52.037 0.040 0.000 0.640 19 A CB -0.289 18.735 19.000 0.040 0.000 0.811 19 A HN 0.517 nan 8.150 nan 0.000 0.451 20 S N -1.190 114.531 115.700 0.034 0.000 2.383 20 S HA -0.165 4.306 4.470 0.001 0.000 0.227 20 S C 2.120 176.746 174.600 0.044 0.000 1.026 20 S CA 1.409 59.630 58.200 0.035 0.000 0.981 20 S CB -0.332 62.885 63.200 0.027 0.000 0.818 20 S HN 0.602 nan 8.310 nan 0.000 0.472 21 Q N 0.716 120.542 119.800 0.043 0.000 2.119 21 Q HA 0.026 4.366 4.340 0.001 0.000 0.201 21 Q C 2.208 178.254 176.000 0.076 0.000 0.972 21 Q CA 1.125 56.962 55.803 0.055 0.000 0.847 21 Q CB -0.502 28.261 28.738 0.040 0.000 0.903 21 Q HN 0.622 nan 8.270 nan 0.000 0.433 22 I N 0.984 121.596 120.570 0.069 0.000 2.179 22 I HA -0.272 3.898 4.170 0.001 0.000 0.242 22 I C 2.473 178.639 176.117 0.081 0.000 1.088 22 I CA 1.811 63.160 61.300 0.082 0.000 1.357 22 I CB -0.658 37.385 38.000 0.072 0.000 1.051 22 I HN 0.268 nan 8.210 nan 0.000 0.409 23 T N -1.362 113.231 114.554 0.065 0.000 2.867 23 T HA -0.047 4.304 4.350 0.001 0.000 0.268 23 T C 2.005 176.740 174.700 0.059 0.000 1.057 23 T CA 0.962 63.096 62.100 0.056 0.000 1.136 23 T CB -1.055 67.840 68.868 0.044 0.000 0.874 23 T HN 0.431 nan 8.240 nan 0.000 0.466 24 G N 1.490 110.332 108.800 0.071 0.000 2.446 24 G HA2 -0.201 3.759 3.960 0.001 0.000 0.217 24 G HA3 -0.201 3.759 3.960 0.001 0.000 0.217 24 G C 1.706 176.679 174.900 0.122 0.000 1.168 24 G CA 1.434 46.585 45.100 0.086 0.000 0.771 24 G HN 0.530 nan 8.290 nan 0.000 0.551 25 T N 1.292 115.943 114.554 0.162 0.000 2.777 25 T HA -0.018 4.332 4.350 0.001 0.000 0.266 25 T C 2.416 177.189 174.700 0.122 0.000 1.040 25 T CA 0.982 63.226 62.100 0.240 0.000 1.141 25 T CB -0.146 68.887 68.868 0.275 0.000 0.868 25 T HN 0.261 nan 8.240 nan 0.000 0.444 26 I N 2.019 122.639 120.570 0.084 0.000 2.179 26 I HA -0.207 3.963 4.170 0.001 0.000 0.242 26 I C 2.837 178.954 176.117 0.001 0.000 1.088 26 I CA 1.479 62.803 61.300 0.040 0.000 1.357 26 I CB -0.542 37.481 38.000 0.039 0.000 1.051 26 I HN 0.321 nan 8.210 nan 0.000 0.409 27 S N -0.128 115.573 115.700 0.001 0.000 2.382 27 S HA -0.145 4.326 4.470 0.001 0.000 0.228 27 S C 2.081 176.628 174.600 -0.089 0.000 1.027 27 S CA 1.418 59.601 58.200 -0.029 0.000 0.991 27 S CB -0.543 62.650 63.200 -0.012 0.000 0.823 27 S HN 0.333 nan 8.310 nan 0.000 0.469 28 S N 2.239 117.871 115.700 -0.114 0.000 2.356 28 S HA 0.116 4.587 4.470 0.001 0.000 0.223 28 S C 1.831 176.177 174.600 -0.422 0.000 1.032 28 S CA 1.344 59.367 58.200 -0.294 0.000 1.005 28 S CB -0.598 62.420 63.200 -0.303 0.000 0.867 28 S HN 0.438 nan 8.310 nan 0.000 0.449 29 L N 1.495 122.546 121.223 -0.285 0.000 2.083 29 L HA -0.139 4.202 4.340 0.001 0.000 0.209 29 L C 2.653 179.542 176.870 0.032 0.000 1.083 29 L CA 1.456 56.240 54.840 -0.094 0.000 0.752 29 L CB -0.614 41.423 42.059 -0.037 0.000 0.899 29 L HN 0.509 nan 8.230 nan 0.000 0.433 30 E N -0.891 119.290 120.200 -0.030 0.000 2.418 30 E HA -0.109 4.242 4.350 0.001 0.000 0.197 30 E C 1.690 178.268 176.600 -0.038 0.000 1.026 30 E CA 0.939 57.336 56.400 -0.006 0.000 0.862 30 E CB -0.046 29.648 29.700 -0.010 0.000 0.799 30 E HN 0.281 nan 8.360 nan 0.000 0.518 31 S N 0.181 115.800 115.700 -0.135 0.000 2.522 31 S HA 0.091 4.562 4.470 0.001 0.000 0.227 31 S C 0.005 174.431 174.600 -0.289 0.000 0.986 31 S CA -0.053 58.016 58.200 -0.218 0.000 0.929 31 S CB -0.219 62.799 63.200 -0.304 0.000 0.769 31 S HN 0.180 nan 8.310 nan 0.000 0.529 32 F N 2.356 122.222 119.950 -0.139 0.000 2.484 32 F HA 0.121 4.649 4.527 0.001 0.000 0.360 32 F C 1.959 177.728 175.800 -0.052 0.000 1.101 32 F CA -0.087 57.855 58.000 -0.096 0.000 1.251 32 F CB 0.210 39.151 39.000 -0.098 0.000 1.132 32 F HN -0.059 nan 8.300 nan 0.000 0.570 33 T N 1.675 116.310 114.554 0.134 0.000 2.665 33 T HA -0.192 4.158 4.350 0.001 0.000 0.268 33 T C 0.311 175.064 174.700 0.087 0.000 1.035 33 T CA 2.004 64.149 62.100 0.075 0.000 1.151 33 T CB -0.509 68.394 68.868 0.058 0.000 0.862 33 T HN 0.750 nan 8.240 nan 0.000 0.438 34 N N -0.667 118.107 118.700 0.124 0.000 2.934 34 N HA 0.415 5.156 4.740 0.001 0.000 0.253 34 N C -1.067 174.519 175.510 0.126 0.000 1.466 34 N CA -1.095 52.025 53.050 0.117 0.000 0.858 34 N CB 1.105 39.647 38.487 0.091 0.000 1.459 34 N HN -0.099 nan 8.380 nan 0.000 0.532 35 R N -0.650 119.922 120.500 0.121 0.000 2.776 35 R HA 0.291 4.631 4.340 0.001 0.000 0.391 35 R C -0.950 175.443 176.300 0.154 0.000 1.116 35 R CA -0.499 55.635 56.100 0.057 0.000 1.056 35 R CB -0.125 30.163 30.300 -0.019 0.000 1.369 35 R HN 0.385 nan 8.270 nan 0.000 0.590 36 F N 1.458 121.429 119.950 0.035 0.000 2.459 36 F HA -0.044 4.483 4.527 0.001 0.000 0.346 36 F C 1.511 177.371 175.800 0.101 0.000 1.128 36 F CA -0.748 57.301 58.000 0.081 0.000 1.268 36 F CB 0.544 39.589 39.000 0.075 0.000 1.161 36 F HN 0.222 nan 8.300 nan 0.000 0.583 37 Y N 0.951 120.838 120.300 -0.689 0.000 2.333 37 Y HA -0.060 4.491 4.550 0.001 0.000 0.290 37 Y C 1.597 177.339 175.900 -0.263 0.000 1.144 37 Y CA 1.439 59.233 58.100 -0.511 0.000 1.228 37 Y CB -1.960 36.011 38.460 -0.815 0.000 0.985 37 Y HN 0.489 nan 8.280 nan 0.000 0.542 38 T N -2.249 111.930 114.554 -0.625 0.000 3.085 38 T HA 0.244 4.595 4.350 0.001 0.000 0.264 38 T C 0.540 175.193 174.700 -0.078 0.000 1.019 38 T CA 0.107 61.953 62.100 -0.423 0.000 0.910 38 T CB -0.805 67.727 68.868 -0.560 0.000 1.059 38 T HN 0.474 nan 8.240 nan 0.000 0.542 39 T N -1.554 113.025 114.554 0.041 0.000 2.943 39 T HA 0.396 4.747 4.350 0.001 0.000 0.284 39 T C 1.237 175.964 174.700 0.044 0.000 1.015 39 T CA -0.411 61.733 62.100 0.073 0.000 1.042 39 T CB 1.426 70.372 68.868 0.130 0.000 1.055 39 T HN -0.068 nan 8.240 nan 0.000 0.500 40 T N 1.523 116.104 114.554 0.045 0.000 2.833 40 T HA -0.078 4.273 4.350 0.001 0.000 0.269 40 T C 2.230 176.965 174.700 0.059 0.000 1.054 40 T CA 1.678 63.805 62.100 0.045 0.000 1.135 40 T CB -0.511 68.385 68.868 0.046 0.000 0.869 40 T HN 0.685 nan 8.240 nan 0.000 0.466 41 S N 0.917 116.665 115.700 0.080 0.000 2.368 41 S HA -0.031 4.440 4.470 0.001 0.000 0.224 41 S C 2.452 177.023 174.600 -0.048 0.000 1.029 41 S CA 1.074 59.335 58.200 0.102 0.000 0.988 41 S CB -0.802 62.500 63.200 0.170 0.000 0.838 41 S HN 0.633 nan 8.310 nan 0.000 0.462 42 G N 1.341 110.137 108.800 -0.008 0.000 2.442 42 G HA2 -0.077 3.884 3.960 0.001 0.000 0.219 42 G HA3 -0.077 3.884 3.960 0.001 0.000 0.219 42 G C 1.516 176.376 174.900 -0.067 0.000 1.141 42 G CA 0.934 46.009 45.100 -0.042 0.000 0.763 42 G HN 0.578 nan 8.290 nan 0.000 0.554 43 A N -0.095 122.711 122.820 -0.024 0.000 1.897 43 A HA -0.002 4.318 4.320 0.001 0.000 0.215 43 A C 2.369 179.933 177.584 -0.034 0.000 1.181 43 A CA 1.635 53.668 52.037 -0.007 0.000 0.620 43 A CB -0.281 18.731 19.000 0.020 0.000 0.821 43 A HN 0.309 nan 8.150 nan 0.000 0.443 44 Q N -0.492 119.285 119.800 -0.038 0.000 2.224 44 Q HA -0.057 4.284 4.340 0.001 0.000 0.203 44 Q C 2.339 178.241 176.000 -0.162 0.000 0.970 44 Q CA 1.324 57.134 55.803 0.012 0.000 0.865 44 Q CB -0.516 28.323 28.738 0.168 0.000 0.922 44 Q HN 0.666 nan 8.270 nan 0.000 0.445 45 A N 0.475 122.940 122.820 -0.592 0.000 1.930 45 A HA -0.150 4.171 4.320 0.001 0.000 0.217 45 A C 2.357 179.797 177.584 -0.239 0.000 1.175 45 A CA 1.721 53.242 52.037 -0.860 0.000 0.627 45 A CB -0.568 17.812 19.000 -1.034 0.000 0.815 45 A HN 0.341 nan 8.150 nan 0.000 0.443 46 S N -0.100 115.510 115.700 -0.150 0.000 2.356 46 S HA -0.209 4.262 4.470 0.001 0.000 0.223 46 S C 1.695 176.264 174.600 -0.051 0.000 1.032 46 S CA 1.834 59.986 58.200 -0.080 0.000 1.005 46 S CB -0.533 62.650 63.200 -0.029 0.000 0.867 46 S HN 0.555 nan 8.310 nan 0.000 0.449 47 D N -0.061 120.337 120.400 -0.004 0.000 2.123 47 D HA -0.117 4.524 4.640 0.001 0.000 0.196 47 D C 1.340 177.675 176.300 0.058 0.000 0.992 47 D CA 1.088 55.104 54.000 0.027 0.000 0.833 47 D CB -0.523 40.315 40.800 0.063 0.000 0.954 47 D HN 0.672 nan 8.370 nan 0.000 0.455 48 W N 1.277 122.553 121.300 -0.040 0.000 2.355 48 W HA -0.115 4.546 4.660 0.001 0.000 0.309 48 W C 2.132 178.602 176.519 -0.081 0.000 1.206 48 W CA 1.200 58.558 57.345 0.022 0.000 1.284 48 W CB -0.336 29.247 29.460 0.205 0.000 1.145 48 W HN -0.112 nan 8.180 nan 0.000 0.502 49 I N 0.595 121.180 120.570 0.025 0.000 2.226 49 I HA -0.317 3.853 4.170 0.001 0.000 0.245 49 I C 2.638 178.403 176.117 -0.586 0.000 1.100 49 I CA 1.447 62.519 61.300 -0.380 0.000 1.374 49 I CB -1.141 36.582 38.000 -0.462 0.000 1.057 49 I HN 0.089 nan 8.210 nan 0.000 0.413 50 A N 0.203 122.815 122.820 -0.347 0.000 1.883 50 A HA -0.236 4.085 4.320 0.001 0.000 0.217 50 A C 2.500 180.000 177.584 -0.139 0.000 1.186 50 A CA 2.406 54.324 52.037 -0.198 0.000 0.624 50 A CB -0.860 18.082 19.000 -0.096 0.000 0.822 50 A HN 0.393 nan 8.150 nan 0.000 0.444 51 S N -0.371 115.219 115.700 -0.183 0.000 2.359 51 S HA -0.156 4.315 4.470 0.001 0.000 0.224 51 S C 1.963 176.437 174.600 -0.210 0.000 1.035 51 S CA 1.399 59.493 58.200 -0.176 0.000 1.018 51 S CB -0.331 62.744 63.200 -0.207 0.000 0.876 51 S HN 0.599 nan 8.310 nan 0.000 0.448 52 E N 0.151 120.123 120.200 -0.380 0.000 2.051 52 E HA -0.139 4.212 4.350 0.001 0.000 0.192 52 E C 1.835 178.454 176.600 0.031 0.000 0.991 52 E CA 1.015 57.227 56.400 -0.314 0.000 0.799 52 E CB -0.242 29.120 29.700 -0.564 0.000 0.748 52 E HN 0.621 nan 8.360 nan 0.000 0.449 53 W N 1.313 122.503 121.300 -0.183 0.000 2.388 53 W HA -0.088 4.573 4.660 0.001 0.000 0.294 53 W C 2.460 178.914 176.519 -0.110 0.000 1.212 53 W CA 0.520 57.784 57.345 -0.135 0.000 1.271 53 W CB -1.127 28.277 29.460 -0.094 0.000 1.126 53 W HN 0.195 nan 8.180 nan 0.000 0.535 54 Q N 0.842 120.721 119.800 0.131 0.000 2.084 54 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 54 Q C 2.256 178.263 176.000 0.012 0.000 0.978 54 Q CA 2.700 58.536 55.803 0.055 0.000 0.844 54 Q CB -0.786 27.968 28.738 0.026 0.000 0.898 54 Q HN 0.095 nan 8.270 nan 0.000 0.426 55 A N 0.102 122.914 122.820 -0.013 0.000 1.902 55 A HA -0.136 4.185 4.320 0.001 0.000 0.217 55 A C 2.155 179.718 177.584 -0.034 0.000 1.181 55 A CA 1.472 53.489 52.037 -0.032 0.000 0.623 55 A CB -0.797 18.169 19.000 -0.056 0.000 0.818 55 A HN 0.464 nan 8.150 nan 0.000 0.443 56 L N 0.129 121.332 121.223 -0.033 0.000 2.093 56 L HA -0.129 4.212 4.340 0.001 0.000 0.208 56 L C 2.515 179.337 176.870 -0.080 0.000 1.085 56 L CA 1.619 56.420 54.840 -0.065 0.000 0.755 56 L CB -0.217 41.785 42.059 -0.094 0.000 0.904 56 L HN 0.604 nan 8.230 nan 0.000 0.435 57 S N -1.363 114.298 115.700 -0.065 0.000 2.557 57 S HA 0.219 4.690 4.470 0.001 0.000 0.223 57 S C 1.790 176.372 174.600 -0.029 0.000 0.969 57 S CA 0.185 58.348 58.200 -0.063 0.000 0.927 57 S CB 0.481 63.639 63.200 -0.070 0.000 0.806 57 S HN 0.224 nan 8.310 nan 0.000 0.489 58 A N 1.833 124.639 122.820 -0.023 0.000 2.032 58 A HA 0.007 4.328 4.320 0.001 0.000 0.221 58 A C 2.116 179.692 177.584 -0.014 0.000 1.165 58 A CA 1.766 53.795 52.037 -0.013 0.000 0.645 58 A CB -0.730 18.261 19.000 -0.015 0.000 0.807 58 A HN 0.553 nan 8.150 nan 0.000 0.453 59 S N -1.559 114.127 115.700 -0.022 0.000 2.554 59 S HA 0.303 4.773 4.470 0.001 0.000 0.226 59 S C -0.034 174.553 174.600 -0.021 0.000 0.980 59 S CA -0.478 57.710 58.200 -0.020 0.000 0.939 59 S CB -0.066 63.119 63.200 -0.025 0.000 0.832 59 S HN 0.379 nan 8.310 nan 0.000 0.486 60 L N 3.829 125.040 121.223 -0.021 0.000 2.260 60 L HA 0.465 4.806 4.340 0.001 0.000 0.289 60 L C -2.770 174.094 176.870 -0.009 0.000 1.057 60 L CA -2.121 52.708 54.840 -0.019 0.000 0.811 60 L CB 0.219 42.263 42.059 -0.025 0.000 1.184 60 L HN -0.147 nan 8.230 nan 0.000 0.429 61 P HA 0.131 nan 4.420 nan 0.000 0.265 61 P C -0.489 176.804 177.300 -0.012 0.000 1.193 61 P CA 0.346 63.438 63.100 -0.012 0.000 0.765 61 P CB 0.306 31.995 31.700 -0.019 0.000 0.823 62 N N -1.287 117.412 118.700 -0.003 0.000 2.882 62 N HA -0.150 4.591 4.740 0.001 0.000 0.249 62 N C -0.387 175.140 175.510 0.028 0.000 1.079 62 N CA 1.151 54.202 53.050 0.001 0.000 0.800 62 N CB -1.595 36.875 38.487 -0.028 0.000 1.124 62 N HN 0.562 nan 8.380 nan 0.000 0.557 63 A N 0.031 122.874 122.820 0.038 0.000 2.337 63 A HA 0.774 5.095 4.320 0.001 0.000 0.329 63 A C 0.062 177.692 177.584 0.076 0.000 1.146 63 A CA -0.193 51.884 52.037 0.067 0.000 0.800 63 A CB 1.954 20.980 19.000 0.043 0.000 1.220 63 A HN 0.193 nan 8.150 nan 0.000 0.472 64 S N 0.810 116.577 115.700 0.112 0.000 2.546 64 S HA 0.596 5.067 4.470 0.001 0.000 0.272 64 S C -1.431 173.257 174.600 0.148 0.000 1.140 64 S CA -0.389 57.879 58.200 0.113 0.000 0.920 64 S CB 1.288 64.556 63.200 0.114 0.000 1.083 64 S HN 0.915 nan 8.310 nan 0.000 0.476 65 V N 5.611 125.604 119.914 0.133 0.000 2.417 65 V HA 0.656 4.777 4.120 0.001 0.000 0.291 65 V C -0.303 175.866 176.094 0.125 0.000 1.024 65 V CA -0.643 61.758 62.300 0.167 0.000 0.861 65 V CB 1.384 33.309 31.823 0.171 0.000 0.985 65 V HN 0.916 nan 8.190 nan 0.000 0.436 66 K N 3.641 124.123 120.400 0.137 0.000 2.477 66 K HA 0.771 5.092 4.320 0.001 0.000 0.255 66 K C -1.260 175.388 176.600 0.081 0.000 0.952 66 K CA -1.026 55.316 56.287 0.091 0.000 0.826 66 K CB 2.550 35.100 32.500 0.083 0.000 1.331 66 K HN 0.481 nan 8.250 nan 0.000 0.437 67 Q N 1.453 121.278 119.800 0.042 0.000 2.331 67 Q HA 0.363 4.704 4.340 0.001 0.000 0.267 67 Q C -1.164 174.831 176.000 -0.009 0.000 1.006 67 Q CA -1.108 54.708 55.803 0.023 0.000 0.818 67 Q CB 2.478 31.220 28.738 0.007 0.000 1.276 67 Q HN 0.407 nan 8.270 nan 0.000 0.450 68 V N 2.340 122.237 119.914 -0.029 0.000 2.407 68 V HA 0.251 4.372 4.120 0.001 0.000 0.278 68 V C 0.066 175.969 176.094 -0.319 0.000 1.037 68 V CA -0.393 61.820 62.300 -0.144 0.000 0.900 68 V CB 1.554 33.303 31.823 -0.123 0.000 0.983 68 V HN 0.747 nan 8.190 nan 0.000 0.459 69 S N 3.432 118.953 115.700 -0.299 0.000 2.592 69 S HA 0.501 4.972 4.470 0.001 0.000 0.271 69 S C -0.509 173.756 174.600 -0.559 0.000 1.326 69 S CA -0.288 57.718 58.200 -0.322 0.000 1.024 69 S CB 0.364 63.460 63.200 -0.173 0.000 0.921 69 S HN 0.821 nan 8.310 nan 0.000 0.527 70 H N -0.235 118.691 119.070 -0.241 0.000 2.768 70 H HA 0.393 4.950 4.556 0.001 0.000 0.371 70 H C -0.260 174.779 175.328 -0.481 0.000 1.151 70 H CA -0.750 55.077 56.048 -0.368 0.000 1.165 70 H CB 1.275 30.709 29.762 -0.547 0.000 1.722 70 H HN 0.592 nan 8.280 nan 0.000 0.543 71 S N 1.259 116.847 115.700 -0.188 0.000 2.510 71 S HA 0.378 4.849 4.470 0.001 0.000 0.279 71 S C 1.362 175.867 174.600 -0.158 0.000 1.284 71 S CA 0.212 58.327 58.200 -0.141 0.000 1.059 71 S CB 0.493 63.665 63.200 -0.047 0.000 0.901 71 S HN 1.185 nan 8.310 nan 0.000 0.491 72 G N 1.650 110.392 108.800 -0.097 0.000 2.213 72 G HA2 -0.179 3.782 3.960 0.001 0.000 0.236 72 G HA3 -0.179 3.782 3.960 0.001 0.000 0.236 72 G C -0.237 174.734 174.900 0.118 0.000 0.991 72 G CA 0.238 45.360 45.100 0.037 0.000 0.629 72 G HN 1.628 nan 8.290 nan 0.000 0.517 73 Y N -2.564 117.748 120.300 0.021 0.000 2.625 73 Y HA 0.780 5.331 4.550 0.001 0.000 0.338 73 Y C 0.307 176.202 175.900 -0.008 0.000 1.123 73 Y CA -1.059 57.010 58.100 -0.052 0.000 1.046 73 Y CB 0.283 38.684 38.460 -0.099 0.000 1.299 73 Y HN -0.179 nan 8.280 nan 0.000 0.464 74 N N -0.225 118.563 118.700 0.146 0.000 2.392 74 N HA -0.012 4.729 4.740 0.001 0.000 0.177 74 N C -0.254 175.334 175.510 0.130 0.000 1.066 74 N CA 0.277 53.371 53.050 0.072 0.000 0.895 74 N CB 0.273 38.779 38.487 0.033 0.000 0.988 74 N HN 0.784 nan 8.380 nan 0.000 0.457 75 Q N 1.483 121.444 119.800 0.269 0.000 2.297 75 Q HA 0.091 4.431 4.340 0.001 0.000 0.267 75 Q C -0.820 175.369 176.000 0.315 0.000 1.006 75 Q CA 0.273 56.223 55.803 0.245 0.000 0.896 75 Q CB 0.497 29.368 28.738 0.221 0.000 1.186 75 Q HN -0.014 nan 8.270 nan 0.000 0.392 76 K N 1.898 122.412 120.400 0.191 0.000 2.138 76 K HA 0.352 4.673 4.320 0.001 0.000 0.263 76 K C -0.697 176.030 176.600 0.211 0.000 0.965 76 K CA -0.585 55.811 56.287 0.181 0.000 0.868 76 K CB 1.779 34.312 32.500 0.055 0.000 1.083 76 K HN 0.490 nan 8.250 nan 0.000 0.443 77 S N 1.188 117.076 115.700 0.314 0.000 2.565 77 S HA 0.178 4.648 4.470 0.001 0.000 0.276 77 S C -0.158 174.518 174.600 0.127 0.000 1.326 77 S CA -0.849 57.515 58.200 0.273 0.000 1.045 77 S CB 0.743 64.211 63.200 0.447 0.000 0.918 77 S HN 0.258 nan 8.310 nan 0.000 0.505 78 V N 3.602 123.548 119.914 0.054 0.000 2.427 78 V HA 0.482 4.603 4.120 0.001 0.000 0.286 78 V C -0.287 175.924 176.094 0.196 0.000 1.034 78 V CA -0.568 61.747 62.300 0.026 0.000 0.893 78 V CB 1.361 33.037 31.823 -0.245 0.000 0.982 78 V HN 0.643 nan 8.190 nan 0.000 0.452 79 V N 5.751 125.826 119.914 0.269 0.000 2.525 79 V HA 0.471 4.592 4.120 0.001 0.000 0.299 79 V C -0.266 176.065 176.094 0.395 0.000 1.034 79 V CA -0.413 62.099 62.300 0.353 0.000 0.863 79 V CB 1.712 33.692 31.823 0.262 0.000 0.999 79 V HN 0.928 nan 8.190 nan 0.000 0.423 80 M N 5.145 125.039 119.600 0.489 0.000 2.238 80 M HA 0.677 5.158 4.480 0.001 0.000 0.350 80 M C -0.154 176.402 176.300 0.427 0.000 1.138 80 M CA -0.056 55.478 55.300 0.389 0.000 1.040 80 M CB 1.750 34.504 32.600 0.256 0.000 1.639 80 M HN 0.854 nan 8.290 nan 0.000 0.451 81 T N 2.899 117.665 114.554 0.352 0.000 2.887 81 T HA 0.711 5.062 4.350 0.001 0.000 0.288 81 T C -0.540 174.333 174.700 0.288 0.000 1.021 81 T CA -0.795 61.535 62.100 0.385 0.000 1.000 81 T CB 1.351 70.484 68.868 0.441 0.000 1.034 81 T HN 0.643 nan 8.240 nan 0.000 0.467 82 I N 2.882 123.593 120.570 0.236 0.000 2.410 82 I HA 0.336 4.507 4.170 0.001 0.000 0.286 82 I C 0.570 176.661 176.117 -0.043 0.000 1.009 82 I CA -0.911 60.452 61.300 0.105 0.000 1.111 82 I CB 2.113 40.188 38.000 0.126 0.000 1.262 82 I HN 0.877 nan 8.210 nan 0.000 0.443 83 T N 2.211 116.728 114.554 -0.062 0.000 2.869 83 T HA 0.481 4.832 4.350 0.001 0.000 0.295 83 T C 0.554 175.125 174.700 -0.214 0.000 0.987 83 T CA -0.722 61.276 62.100 -0.169 0.000 1.109 83 T CB 1.391 70.215 68.868 -0.073 0.000 0.932 83 T HN 0.689 nan 8.240 nan 0.000 0.518 84 G N 1.047 109.662 108.800 -0.308 0.000 2.491 84 G HA2 0.360 4.321 3.960 0.001 0.000 0.242 84 G HA3 0.360 4.321 3.960 0.001 0.000 0.242 84 G C 0.974 175.756 174.900 -0.196 0.000 1.266 84 G CA -0.272 44.664 45.100 -0.274 0.000 0.844 84 G HN 0.985 nan 8.290 nan 0.000 0.571 85 S N -0.022 115.572 115.700 -0.177 0.000 2.470 85 S HA 0.059 4.530 4.470 0.001 0.000 0.225 85 S C 1.275 175.810 174.600 -0.109 0.000 1.006 85 S CA 0.978 59.100 58.200 -0.130 0.000 0.934 85 S CB 0.176 63.300 63.200 -0.126 0.000 0.778 85 S HN 0.688 nan 8.310 nan 0.000 0.517 86 E N 0.540 120.668 120.200 -0.119 0.000 2.406 86 E HA 0.369 4.720 4.350 0.001 0.000 0.204 86 E C 0.282 176.823 176.600 -0.099 0.000 0.820 86 E CA 0.514 56.856 56.400 -0.096 0.000 1.136 86 E CB 0.794 30.441 29.700 -0.087 0.000 1.129 86 E HN 0.441 nan 8.360 nan 0.000 0.530 87 A N 2.561 125.303 122.820 -0.130 0.000 3.204 87 A HA 0.280 4.601 4.320 0.001 0.000 0.327 87 A C -2.117 175.347 177.584 -0.199 0.000 0.998 87 A CA -1.091 50.866 52.037 -0.133 0.000 0.891 87 A CB 0.256 19.184 19.000 -0.119 0.000 1.061 87 A HN -0.056 nan 8.150 nan 0.000 0.478 88 P HA -0.141 nan 4.420 nan 0.000 0.230 88 P C 0.486 177.590 177.300 -0.327 0.000 1.158 88 P CA 1.119 64.048 63.100 -0.284 0.000 0.769 88 P CB 0.165 31.762 31.700 -0.171 0.000 0.807 89 D N -0.347 119.957 120.400 -0.160 0.000 2.323 89 D HA -0.068 4.573 4.640 0.001 0.000 0.209 89 D C 0.257 176.555 176.300 -0.005 0.000 0.973 89 D CA 0.392 54.386 54.000 -0.010 0.000 0.874 89 D CB -0.270 40.548 40.800 0.030 0.000 0.930 89 D HN 0.251 nan 8.370 nan 0.000 0.521 90 E N -0.084 120.007 120.200 -0.182 0.000 2.146 90 E HA 0.313 4.663 4.350 0.001 0.000 0.282 90 E C -1.168 175.245 176.600 -0.311 0.000 0.989 90 E CA -0.559 55.767 56.400 -0.123 0.000 0.799 90 E CB 0.902 30.531 29.700 -0.119 0.000 1.088 90 E HN 0.139 nan 8.360 nan 0.000 0.397 91 W N 3.391 124.650 121.300 -0.069 0.000 2.632 91 W HA 0.380 5.041 4.660 0.001 0.000 0.328 91 W C -0.626 175.791 176.519 -0.170 0.000 1.044 91 W CA -0.654 56.636 57.345 -0.091 0.000 1.225 91 W CB 1.039 30.488 29.460 -0.020 0.000 1.396 91 W HN 0.287 nan 8.180 nan 0.000 0.499 92 I N 4.227 124.793 120.570 -0.006 0.000 2.354 92 I HA 0.360 4.531 4.170 0.001 0.000 0.292 92 I C -0.292 175.773 176.117 -0.087 0.000 0.989 92 I CA -1.276 59.954 61.300 -0.116 0.000 1.188 92 I CB 0.813 38.654 38.000 -0.265 0.000 1.342 92 I HN 0.031 nan 8.210 nan 0.000 0.457 93 V N 7.572 127.415 119.914 -0.119 0.000 2.513 93 V HA 0.551 4.672 4.120 0.001 0.000 0.299 93 V C -0.134 175.956 176.094 -0.006 0.000 1.035 93 V CA -0.697 61.489 62.300 -0.191 0.000 0.889 93 V CB 2.727 34.202 31.823 -0.580 0.000 0.988 93 V HN 0.606 nan 8.190 nan 0.000 0.440 94 I N 2.944 123.510 120.570 -0.007 0.000 2.619 94 I HA 0.895 5.065 4.170 0.001 0.000 0.292 94 I C -0.075 176.124 176.117 0.137 0.000 1.100 94 I CA 0.020 61.393 61.300 0.121 0.000 1.043 94 I CB 2.027 40.148 38.000 0.201 0.000 1.239 94 I HN 0.786 nan 8.210 nan 0.000 0.420 95 G N 3.762 112.683 108.800 0.201 0.000 2.608 95 G HA2 0.726 4.687 3.960 0.001 0.000 0.291 95 G HA3 0.726 4.687 3.960 0.001 0.000 0.291 95 G C -1.497 173.564 174.900 0.268 0.000 1.425 95 G CA -0.278 44.932 45.100 0.183 0.000 0.787 95 G HN 0.938 nan 8.290 nan 0.000 0.484 96 G N -1.529 107.393 108.800 0.204 0.000 2.687 96 G HA2 0.689 4.650 3.960 0.001 0.000 0.291 96 G HA3 0.689 4.650 3.960 0.001 0.000 0.291 96 G C -1.288 173.802 174.900 0.316 0.000 1.420 96 G CA -0.532 44.742 45.100 0.291 0.000 0.796 96 G HN 1.334 nan 8.290 nan 0.000 0.485 97 H N -1.277 117.962 119.070 0.283 0.000 2.467 97 H HA 0.559 5.116 4.556 0.002 0.000 0.331 97 H C 0.863 176.271 175.328 0.132 0.000 1.120 97 H CA -0.917 55.277 56.048 0.243 0.000 1.270 97 H CB 1.563 31.456 29.762 0.217 0.000 1.466 97 H HN 0.459 nan 8.280 nan 0.000 0.504 98 L N -1.038 120.294 121.223 0.181 0.000 2.567 98 L HA 0.220 4.561 4.340 0.001 0.000 0.225 98 L C 0.031 176.953 176.870 0.086 0.000 1.119 98 L CA -0.201 54.677 54.840 0.063 0.000 0.871 98 L CB -0.737 41.325 42.059 0.004 0.000 1.036 98 L HN 0.703 nan 8.230 nan 0.000 0.459 99 D N 0.486 121.012 120.400 0.211 0.000 2.348 99 D HA 0.498 5.138 4.640 0.001 0.000 0.249 99 D C 0.026 176.472 176.300 0.243 0.000 1.110 99 D CA 0.060 54.163 54.000 0.172 0.000 0.967 99 D CB 1.569 42.418 40.800 0.083 0.000 1.139 99 D HN 0.279 nan 8.370 nan 0.000 0.466 100 S N -0.924 114.902 115.700 0.210 0.000 2.661 100 S HA 0.740 5.211 4.470 0.001 0.000 0.285 100 S C -0.593 174.173 174.600 0.277 0.000 1.138 100 S CA -0.761 57.577 58.200 0.229 0.000 0.855 100 S CB 2.072 65.370 63.200 0.164 0.000 1.136 100 S HN 0.733 nan 8.310 nan 0.000 0.484 101 T N -0.156 114.519 114.554 0.201 0.000 2.840 101 T HA 0.535 4.886 4.350 0.001 0.000 0.317 101 T C -0.627 174.090 174.700 0.028 0.000 1.401 101 T CA -0.515 61.654 62.100 0.114 0.000 1.028 101 T CB 1.118 70.045 68.868 0.099 0.000 1.317 101 T HN 1.090 nan 8.240 nan 0.000 0.495 102 I N 0.446 120.979 120.570 -0.061 0.000 3.947 102 I HA 0.742 4.913 4.170 0.001 0.000 0.327 102 I C 0.611 176.688 176.117 -0.066 0.000 1.519 102 I CA -0.433 60.852 61.300 -0.026 0.000 1.122 102 I CB 0.152 38.140 38.000 -0.019 0.000 1.146 102 I HN 0.919 nan 8.210 nan 0.000 0.442 103 G N 1.576 110.306 108.800 -0.118 0.000 2.353 103 G HA2 -0.103 3.858 3.960 0.001 0.000 0.424 103 G HA3 -0.103 3.858 3.960 0.001 0.000 0.424 103 G C 0.296 175.138 174.900 -0.097 0.000 1.320 103 G CA -0.128 44.913 45.100 -0.099 0.000 0.995 103 G HN 0.290 nan 8.290 nan 0.000 0.580 104 S N -1.318 114.354 115.700 -0.046 0.000 2.399 104 S HA -0.100 4.371 4.470 0.001 0.000 0.231 104 S C 1.297 175.970 174.600 0.123 0.000 1.022 104 S CA 1.939 60.169 58.200 0.051 0.000 0.983 104 S CB -0.332 62.868 63.200 0.002 0.000 0.803 104 S HN 0.722 nan 8.310 nan 0.000 0.480 105 H N 1.205 120.219 119.070 -0.094 0.000 2.519 105 H HA 0.231 4.787 4.556 0.001 0.000 0.289 105 H C -0.254 174.937 175.328 -0.228 0.000 1.040 105 H CA -0.418 55.565 56.048 -0.108 0.000 1.165 105 H CB 0.071 29.793 29.762 -0.067 0.000 1.462 105 H HN 0.327 nan 8.280 nan 0.000 0.555 106 T N 2.511 116.850 114.554 -0.357 0.000 2.905 106 T HA -0.055 4.296 4.350 0.001 0.000 0.299 106 T C 0.570 174.975 174.700 -0.493 0.000 1.024 106 T CA 0.110 61.847 62.100 -0.604 0.000 1.151 106 T CB 0.214 68.328 68.868 -1.256 0.000 0.987 106 T HN 0.623 nan 8.240 nan 0.000 0.535 107 N N 1.467 120.018 118.700 -0.248 0.000 3.167 107 N HA 0.331 5.071 4.740 0.001 0.000 0.323 107 N C 0.740 176.221 175.510 -0.049 0.000 1.478 107 N CA -0.937 52.047 53.050 -0.110 0.000 0.753 107 N CB 0.475 38.908 38.487 -0.089 0.000 1.721 107 N HN 0.184 nan 8.380 nan 0.000 0.618 108 E N -0.452 119.742 120.200 -0.011 0.000 2.130 108 E HA -0.198 4.152 4.350 0.001 0.000 0.196 108 E C 0.849 177.453 176.600 0.007 0.000 0.998 108 E CA 1.778 58.185 56.400 0.013 0.000 0.806 108 E CB -0.145 29.561 29.700 0.011 0.000 0.738 108 E HN 0.585 nan 8.360 nan 0.000 0.459 109 Q N -0.076 119.717 119.800 -0.012 0.000 2.392 109 Q HA 0.116 4.457 4.340 0.001 0.000 0.203 109 Q C 0.282 176.272 176.000 -0.017 0.000 0.917 109 Q CA -0.079 55.718 55.803 -0.010 0.000 0.939 109 Q CB 0.611 29.340 28.738 -0.015 0.000 1.063 109 Q HN -0.074 nan 8.270 nan 0.000 0.516 110 S N 0.210 115.888 115.700 -0.037 0.000 2.549 110 S HA 0.131 4.601 4.470 0.001 0.000 0.286 110 S C -0.100 174.488 174.600 -0.020 0.000 1.314 110 S CA -0.369 57.803 58.200 -0.047 0.000 1.062 110 S CB 0.882 64.021 63.200 -0.102 0.000 0.865 110 S HN 0.028 nan 8.310 nan 0.000 0.498 111 V N 3.046 122.953 119.914 -0.013 0.000 2.334 111 V HA 0.527 4.648 4.120 0.001 0.000 0.267 111 V C 0.318 176.418 176.094 0.011 0.000 1.040 111 V CA -0.374 61.928 62.300 0.004 0.000 0.866 111 V CB 0.382 32.206 31.823 0.001 0.000 1.019 111 V HN 0.949 nan 8.190 nan 0.000 0.468 112 A N 7.751 130.589 122.820 0.029 0.000 3.030 112 A HA 0.620 4.940 4.320 0.001 0.000 0.335 112 A C -1.428 176.194 177.584 0.063 0.000 1.089 112 A CA -1.148 50.918 52.037 0.048 0.000 0.807 112 A CB 0.853 19.887 19.000 0.057 0.000 1.099 112 A HN 0.577 nan 8.150 nan 0.000 0.474 113 P HA -0.103 nan 4.420 nan 0.000 0.218 113 P C 1.197 178.527 177.300 0.049 0.000 1.149 113 P CA 1.795 64.921 63.100 0.042 0.000 0.817 113 P CB 0.009 31.721 31.700 0.021 0.000 0.785 114 G N -0.008 108.827 108.800 0.058 0.000 2.341 114 G HA2 -0.245 3.716 3.960 0.001 0.000 0.292 114 G HA3 -0.245 3.716 3.960 0.001 0.000 0.292 114 G C 1.084 176.000 174.900 0.026 0.000 1.021 114 G CA 0.435 45.572 45.100 0.062 0.000 0.905 114 G HN 0.573 nan 8.290 nan 0.000 0.508 115 A N -0.565 122.264 122.820 0.014 0.000 1.873 115 A HA 0.087 4.408 4.320 0.001 0.000 0.215 115 A C 2.100 179.680 177.584 -0.007 0.000 1.186 115 A CA 2.239 54.279 52.037 0.006 0.000 0.616 115 A CB -0.247 18.758 19.000 0.008 0.000 0.823 115 A HN 0.490 nan 8.150 nan 0.000 0.442 116 D N -0.390 119.999 120.400 -0.019 0.000 2.120 116 D HA -0.048 4.592 4.640 0.001 0.000 0.202 116 D C -0.137 176.127 176.300 -0.060 0.000 0.972 116 D CA 0.911 54.886 54.000 -0.042 0.000 0.837 116 D CB -0.072 40.694 40.800 -0.057 0.000 0.989 116 D HN 0.283 nan 8.370 nan 0.000 0.469 117 D N -0.075 120.302 120.400 -0.039 0.000 2.473 117 D HA 0.172 4.813 4.640 0.001 0.000 0.226 117 D C -1.169 175.131 176.300 -0.002 0.000 1.089 117 D CA -0.300 53.692 54.000 -0.012 0.000 0.883 117 D CB 0.558 41.375 40.800 0.029 0.000 1.029 117 D HN -0.157 nan 8.370 nan 0.000 0.517 118 D N 2.238 122.528 120.400 -0.182 0.000 2.895 118 D HA 0.275 4.916 4.640 0.001 0.000 0.350 118 D C 1.228 177.438 176.300 -0.150 0.000 1.389 118 D CA -0.213 53.619 54.000 -0.280 0.000 0.812 118 D CB 0.325 40.694 40.800 -0.717 0.000 1.164 118 D HN 0.295 nan 8.370 nan 0.000 0.455 119 A N -0.246 122.536 122.820 -0.063 0.000 1.978 119 A HA -0.167 4.154 4.320 0.001 0.000 0.220 119 A C 2.245 179.838 177.584 0.014 0.000 1.170 119 A CA 2.023 54.057 52.037 -0.006 0.000 0.636 119 A CB -0.549 18.458 19.000 0.012 0.000 0.810 119 A HN 0.408 nan 8.150 nan 0.000 0.448 120 S N -0.433 115.259 115.700 -0.013 0.000 2.368 120 S HA -0.016 4.455 4.470 0.001 0.000 0.225 120 S C 2.014 176.616 174.600 0.003 0.000 1.030 120 S CA 1.474 59.670 58.200 -0.007 0.000 0.999 120 S CB -1.121 62.052 63.200 -0.046 0.000 0.844 120 S HN 0.659 nan 8.310 nan 0.000 0.459 121 G N 1.952 110.743 108.800 -0.016 0.000 2.403 121 G HA2 0.010 3.971 3.960 0.001 0.000 0.216 121 G HA3 0.010 3.971 3.960 0.001 0.000 0.216 121 G C 1.391 176.354 174.900 0.105 0.000 1.154 121 G CA 0.782 45.900 45.100 0.029 0.000 0.784 121 G HN 0.460 nan 8.290 nan 0.000 0.538 122 I N 2.100 122.734 120.570 0.107 0.000 2.208 122 I HA -0.152 4.019 4.170 0.001 0.000 0.245 122 I C 3.227 179.496 176.117 0.254 0.000 1.097 122 I CA 1.187 62.612 61.300 0.208 0.000 1.363 122 I CB -1.373 36.722 38.000 0.158 0.000 1.051 122 I HN 0.254 nan 8.210 nan 0.000 0.413 123 A N 0.899 123.828 122.820 0.182 0.000 1.902 123 A HA -0.114 4.207 4.320 0.001 0.000 0.217 123 A C 2.599 180.273 177.584 0.151 0.000 1.181 123 A CA 2.052 54.196 52.037 0.178 0.000 0.623 123 A CB -0.791 18.288 19.000 0.131 0.000 0.818 123 A HN 0.418 nan 8.150 nan 0.000 0.443 124 A N -0.481 122.415 122.820 0.127 0.000 1.877 124 A HA -0.033 4.288 4.320 0.001 0.000 0.216 124 A C 2.237 179.894 177.584 0.121 0.000 1.186 124 A CA 1.891 53.997 52.037 0.116 0.000 0.620 124 A CB -1.078 17.991 19.000 0.115 0.000 0.822 124 A HN 0.429 nan 8.150 nan 0.000 0.443 125 V N -0.100 119.910 119.914 0.159 0.000 2.332 125 V HA -0.262 3.859 4.120 0.001 0.000 0.248 125 V C 2.742 178.829 176.094 -0.011 0.000 1.055 125 V CA 2.533 64.915 62.300 0.137 0.000 1.038 125 V CB -1.424 30.540 31.823 0.235 0.000 0.651 125 V HN 0.622 nan 8.190 nan 0.000 0.450 126 T N -0.407 114.220 114.554 0.122 0.000 2.720 126 T HA -0.252 4.099 4.350 0.001 0.000 0.268 126 T C 1.935 176.602 174.700 -0.054 0.000 1.037 126 T CA 1.947 64.093 62.100 0.076 0.000 1.144 126 T CB -0.231 68.850 68.868 0.355 0.000 0.864 126 T HN 0.541 nan 8.240 nan 0.000 0.444 127 E N 0.790 120.995 120.200 0.008 0.000 2.152 127 E HA -0.055 4.296 4.350 0.001 0.000 0.192 127 E C 2.086 178.651 176.600 -0.058 0.000 0.983 127 E CA 0.567 56.958 56.400 -0.015 0.000 0.818 127 E CB -0.517 29.200 29.700 0.028 0.000 0.758 127 E HN 0.259 nan 8.360 nan 0.000 0.467 128 V N 0.878 120.768 119.914 -0.040 0.000 2.287 128 V HA -0.293 3.828 4.120 0.001 0.000 0.248 128 V C 2.381 178.374 176.094 -0.169 0.000 1.053 128 V CA 2.026 64.304 62.300 -0.036 0.000 1.027 128 V CB -0.496 31.380 31.823 0.090 0.000 0.646 128 V HN 0.332 nan 8.190 nan 0.000 0.447 129 I N -0.483 119.860 120.570 -0.377 0.000 2.208 129 I HA -0.282 3.889 4.170 0.001 0.000 0.245 129 I C 2.756 178.661 176.117 -0.353 0.000 1.097 129 I CA 1.909 62.842 61.300 -0.612 0.000 1.363 129 I CB -0.465 36.960 38.000 -0.958 0.000 1.051 129 I HN 0.232 nan 8.210 nan 0.000 0.413 130 R N 0.819 121.170 120.500 -0.247 0.000 2.073 130 R HA -0.153 4.188 4.340 0.001 0.000 0.234 130 R C 2.306 178.491 176.300 -0.192 0.000 1.134 130 R CA 1.773 57.767 56.100 -0.177 0.000 0.952 130 R CB -0.196 30.038 30.300 -0.111 0.000 0.850 130 R HN 0.168 nan 8.270 nan 0.000 0.433 131 V N 1.510 121.311 119.914 -0.188 0.000 2.307 131 V HA -0.242 3.878 4.120 0.001 0.000 0.245 131 V C 2.432 178.306 176.094 -0.367 0.000 1.045 131 V CA 1.658 63.810 62.300 -0.246 0.000 1.024 131 V CB -0.429 31.292 31.823 -0.169 0.000 0.651 131 V HN 0.339 nan 8.190 nan 0.000 0.449 132 L N 0.889 121.947 121.223 -0.276 0.000 2.083 132 L HA -0.174 4.167 4.340 0.001 0.000 0.209 132 L C 2.729 179.477 176.870 -0.204 0.000 1.083 132 L CA 1.954 56.646 54.840 -0.246 0.000 0.752 132 L CB -0.737 41.304 42.059 -0.031 0.000 0.899 132 L HN 0.579 nan 8.230 nan 0.000 0.433 133 S N -0.872 114.712 115.700 -0.192 0.000 2.387 133 S HA -0.151 4.319 4.470 0.001 0.000 0.226 133 S C 1.699 176.198 174.600 -0.169 0.000 1.026 133 S CA 0.742 58.852 58.200 -0.150 0.000 0.972 133 S CB -0.278 62.829 63.200 -0.154 0.000 0.814 133 S HN 0.449 nan 8.310 nan 0.000 0.477 134 E N 1.408 121.477 120.200 -0.218 0.000 2.268 134 E HA 0.024 4.375 4.350 0.001 0.000 0.195 134 E C 0.937 177.379 176.600 -0.262 0.000 0.995 134 E CA 0.622 56.896 56.400 -0.211 0.000 0.836 134 E CB -0.152 29.426 29.700 -0.203 0.000 0.763 134 E HN 0.575 nan 8.360 nan 0.000 0.491 135 N N 0.993 119.437 118.700 -0.428 0.000 2.235 135 N HA 0.030 4.771 4.740 0.001 0.000 0.209 135 N C -0.443 174.929 175.510 -0.231 0.000 1.122 135 N CA 0.027 52.767 53.050 -0.516 0.000 0.845 135 N CB 0.489 38.132 38.487 -1.408 0.000 1.004 135 N HN 0.097 nan 8.380 nan 0.000 0.499 136 N N 1.070 119.697 118.700 -0.121 0.000 2.727 136 N HA -0.227 4.514 4.740 0.001 0.000 0.249 136 N C -0.530 175.055 175.510 0.125 0.000 1.048 136 N CA 0.437 53.488 53.050 0.002 0.000 0.714 136 N CB -1.544 36.947 38.487 0.005 0.000 0.959 136 N HN 0.265 nan 8.380 nan 0.000 0.544 137 F N 1.685 121.619 119.950 -0.028 0.000 2.572 137 F HA 0.066 4.594 4.527 0.002 0.000 0.370 137 F C 0.805 176.652 175.800 0.078 0.000 1.103 137 F CA 0.128 58.203 58.000 0.125 0.000 1.286 137 F CB 0.633 39.731 39.000 0.163 0.000 1.105 137 F HN 0.011 nan 8.300 nan 0.000 0.583 138 Q N 7.789 127.316 119.800 -0.454 0.000 2.700 138 Q HA 0.289 4.629 4.340 0.001 0.000 0.249 138 Q C -2.427 173.124 176.000 -0.748 0.000 1.033 138 Q CA -1.939 53.581 55.803 -0.472 0.000 0.804 138 Q CB 0.648 29.272 28.738 -0.191 0.000 1.164 138 Q HN 0.440 nan 8.270 nan 0.000 0.500 139 P HA 0.118 nan 4.420 nan 0.000 0.272 139 P C 0.251 177.329 177.300 -0.370 0.000 1.223 139 P CA -0.165 62.490 63.100 -0.742 0.000 0.784 139 P CB 1.587 32.982 31.700 -0.509 0.000 0.923 140 K N 0.851 121.100 120.400 -0.253 0.000 2.116 140 K HA -0.002 4.319 4.320 0.001 0.000 0.203 140 K C 1.219 177.697 176.600 -0.203 0.000 1.052 140 K CA 0.972 57.148 56.287 -0.184 0.000 0.952 140 K CB 0.038 32.462 32.500 -0.126 0.000 0.729 140 K HN 0.406 nan 8.250 nan 0.000 0.446 141 R N 0.527 120.893 120.500 -0.223 0.000 2.596 141 R HA 0.282 4.623 4.340 0.001 0.000 0.267 141 R C -0.293 175.774 176.300 -0.389 0.000 1.026 141 R CA -0.485 55.441 56.100 -0.289 0.000 1.087 141 R CB 1.608 31.756 30.300 -0.254 0.000 1.132 141 R HN -0.073 nan 8.270 nan 0.000 0.531 142 S N 1.074 116.398 115.700 -0.627 0.000 2.580 142 S HA 0.341 4.812 4.470 0.001 0.000 0.274 142 S C 0.155 174.415 174.600 -0.567 0.000 1.329 142 S CA -0.335 57.356 58.200 -0.847 0.000 1.036 142 S CB 0.440 62.479 63.200 -1.935 0.000 0.919 142 S HN 0.300 nan 8.310 nan 0.000 0.515 143 I N 1.662 122.052 120.570 -0.299 0.000 2.509 143 I HA 0.602 4.773 4.170 0.001 0.000 0.293 143 I C -0.209 175.923 176.117 0.026 0.000 1.020 143 I CA -0.816 60.379 61.300 -0.174 0.000 1.088 143 I CB 1.836 39.660 38.000 -0.293 0.000 1.267 143 I HN 0.616 nan 8.210 nan 0.000 0.430 144 A N 6.187 129.026 122.820 0.032 0.000 2.318 144 A HA 0.816 5.137 4.320 0.001 0.000 0.317 144 A C -1.203 176.256 177.584 -0.208 0.000 1.159 144 A CA -0.317 51.778 52.037 0.098 0.000 0.799 144 A CB 0.455 19.593 19.000 0.231 0.000 1.194 144 A HN 0.516 nan 8.150 nan 0.000 0.479 145 F N 2.005 122.006 119.950 0.085 0.000 2.427 145 F HA 0.643 5.171 4.527 0.001 0.000 0.346 145 F C 0.397 176.279 175.800 0.137 0.000 1.120 145 F CA -0.255 57.732 58.000 -0.022 0.000 1.033 145 F CB 1.724 40.507 39.000 -0.362 0.000 1.126 145 F HN 0.381 nan 8.300 nan 0.000 0.462 146 M N 2.942 122.708 119.600 0.277 0.000 2.464 146 M HA 0.700 5.181 4.480 0.001 0.000 0.308 146 M C -0.886 175.434 176.300 0.034 0.000 1.127 146 M CA -0.878 54.499 55.300 0.128 0.000 0.913 146 M CB 2.489 34.982 32.600 -0.178 0.000 1.689 146 M HN 0.632 nan 8.290 nan 0.000 0.445 147 A N 2.970 125.786 122.820 -0.007 0.000 2.360 147 A HA 0.672 4.993 4.320 0.001 0.000 0.309 147 A C -1.554 175.983 177.584 -0.078 0.000 1.311 147 A CA -0.518 51.472 52.037 -0.079 0.000 0.805 147 A CB 0.149 19.047 19.000 -0.171 0.000 1.144 147 A HN 0.712 nan 8.150 nan 0.000 0.486 148 Y N 1.276 121.705 120.300 0.215 0.000 2.359 148 Y HA 0.442 4.993 4.550 0.001 0.000 0.330 148 Y C 1.065 177.040 175.900 0.126 0.000 1.143 148 Y CA 0.086 58.291 58.100 0.175 0.000 1.318 148 Y CB 0.796 39.346 38.460 0.151 0.000 1.234 148 Y HN 0.755 nan 8.280 nan 0.000 0.522 149 A N 2.434 125.408 122.820 0.258 0.000 2.351 149 A HA 0.566 4.887 4.320 0.001 0.000 0.257 149 A C 0.942 178.504 177.584 -0.036 0.000 1.087 149 A CA -0.103 52.018 52.037 0.141 0.000 0.798 149 A CB -0.553 18.603 19.000 0.261 0.000 1.033 149 A HN 1.736 nan 8.150 nan 0.000 0.488 150 A N 0.148 122.866 122.820 -0.170 0.000 2.872 150 A HA -0.170 4.150 4.320 0.001 0.000 0.273 150 A C 1.315 178.637 177.584 -0.436 0.000 1.442 150 A CA 1.244 52.980 52.037 -0.503 0.000 0.801 150 A CB -2.016 16.494 19.000 -0.817 0.000 1.031 150 A HN 1.030 nan 8.150 nan 0.000 0.582 151 E N 0.127 120.141 120.200 -0.310 0.000 2.150 151 E HA -0.186 4.165 4.350 0.001 0.000 0.193 151 E C 1.423 177.769 176.600 -0.423 0.000 0.985 151 E CA 1.450 57.614 56.400 -0.392 0.000 0.814 151 E CB -0.052 29.309 29.700 -0.566 0.000 0.752 151 E HN 0.774 nan 8.360 nan 0.000 0.466 152 E N 0.193 120.153 120.200 -0.399 0.000 2.427 152 E HA -0.054 4.297 4.350 0.001 0.000 0.196 152 E C 1.322 177.739 176.600 -0.305 0.000 1.028 152 E CA 0.612 56.835 56.400 -0.296 0.000 0.864 152 E CB 0.488 30.091 29.700 -0.161 0.000 0.813 152 E HN 0.224 nan 8.360 nan 0.000 0.514 153 V N -3.467 116.175 119.914 -0.453 0.000 2.854 153 V HA 0.662 4.783 4.120 0.001 0.000 0.366 153 V C 0.695 176.560 176.094 -0.382 0.000 1.322 153 V CA -0.067 61.954 62.300 -0.465 0.000 1.243 153 V CB 0.219 31.521 31.823 -0.868 0.000 1.337 153 V HN 0.101 nan 8.190 nan 0.000 0.585 154 G N 0.987 109.611 108.800 -0.294 0.000 2.151 154 G HA2 -0.139 3.822 3.960 0.001 0.000 0.156 154 G HA3 -0.139 3.822 3.960 0.001 0.000 0.156 154 G C 0.144 174.896 174.900 -0.247 0.000 1.017 154 G CA -0.327 44.636 45.100 -0.229 0.000 0.686 154 G HN 1.169 nan 8.290 nan 0.000 0.503 155 L N -2.060 118.991 121.223 -0.287 0.000 3.717 155 L HA -0.283 4.058 4.340 0.001 0.000 0.414 155 L C 2.178 178.878 176.870 -0.284 0.000 1.228 155 L CA 1.284 55.945 54.840 -0.298 0.000 0.918 155 L CB -1.514 40.365 42.059 -0.299 0.000 1.865 155 L HN 0.529 nan 8.230 nan 0.000 0.922 156 R N 0.372 120.700 120.500 -0.286 0.000 2.093 156 R HA -0.021 4.320 4.340 0.001 0.000 0.224 156 R C 2.238 178.401 176.300 -0.228 0.000 1.101 156 R CA 1.304 57.273 56.100 -0.220 0.000 0.979 156 R CB -0.141 30.039 30.300 -0.200 0.000 0.877 156 R HN 0.584 nan 8.270 nan 0.000 0.441 157 G N 0.799 109.423 108.800 -0.293 0.000 2.394 157 G HA2 -0.264 3.697 3.960 0.001 0.000 0.215 157 G HA3 -0.264 3.697 3.960 0.001 0.000 0.215 157 G C 1.547 176.371 174.900 -0.127 0.000 1.165 157 G CA 0.922 45.802 45.100 -0.367 0.000 0.784 157 G HN 0.423 nan 8.290 nan 0.000 0.535 158 S N 0.212 115.740 115.700 -0.287 0.000 2.383 158 S HA -0.104 4.367 4.470 0.001 0.000 0.227 158 S C 2.150 176.459 174.600 -0.486 0.000 1.026 158 S CA 1.315 59.181 58.200 -0.557 0.000 0.981 158 S CB -0.293 62.273 63.200 -1.056 0.000 0.818 158 S HN 0.362 nan 8.310 nan 0.000 0.472 159 Q N 1.291 120.880 119.800 -0.352 0.000 2.124 159 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 159 Q C 1.604 177.490 176.000 -0.190 0.000 0.977 159 Q CA 1.446 57.081 55.803 -0.281 0.000 0.850 159 Q CB -0.561 28.054 28.738 -0.204 0.000 0.901 159 Q HN 0.577 nan 8.270 nan 0.000 0.429 160 D N 0.730 121.071 120.400 -0.097 0.000 2.097 160 D HA -0.096 4.544 4.640 0.001 0.000 0.195 160 D C 2.172 178.482 176.300 0.016 0.000 0.989 160 D CA 0.811 54.823 54.000 0.021 0.000 0.827 160 D CB -0.202 40.715 40.800 0.196 0.000 0.966 160 D HN 0.169 nan 8.370 nan 0.000 0.456 161 L N 0.514 121.737 121.223 0.000 0.000 2.027 161 L HA -0.125 4.216 4.340 0.001 0.000 0.206 161 L C 2.540 179.285 176.870 -0.209 0.000 1.074 161 L CA 1.173 56.022 54.840 0.015 0.000 0.745 161 L CB -0.441 41.684 42.059 0.110 0.000 0.898 161 L HN -0.024 nan 8.230 nan 0.000 0.433 162 A N 0.152 122.573 122.820 -0.665 0.000 1.902 162 A HA -0.198 4.122 4.320 0.001 0.000 0.217 162 A C 2.025 179.515 177.584 -0.157 0.000 1.181 162 A CA 1.873 53.382 52.037 -0.880 0.000 0.623 162 A CB -0.532 17.774 19.000 -1.158 0.000 0.818 162 A HN 0.419 nan 8.150 nan 0.000 0.443 163 N N -0.538 118.091 118.700 -0.119 0.000 2.270 163 N HA -0.135 4.606 4.740 0.001 0.000 0.181 163 N C 1.838 177.387 175.510 0.065 0.000 1.016 163 N CA 1.333 54.376 53.050 -0.011 0.000 0.870 163 N CB -0.412 38.052 38.487 -0.038 0.000 0.979 163 N HN 0.751 nan 8.380 nan 0.000 0.431 164 Q N -0.458 119.397 119.800 0.092 0.000 2.046 164 Q HA -0.144 4.197 4.340 0.001 0.000 0.200 164 Q C 1.387 177.493 176.000 0.176 0.000 0.975 164 Q CA 1.208 57.082 55.803 0.118 0.000 0.836 164 Q CB -0.089 28.721 28.738 0.120 0.000 0.896 164 Q HN 0.313 nan 8.270 nan 0.000 0.428 165 Y N 1.134 121.469 120.300 0.058 0.000 2.128 165 Y HA -0.262 4.289 4.550 0.001 0.000 0.284 165 Y C 2.422 178.461 175.900 0.231 0.000 1.154 165 Y CA 1.776 59.950 58.100 0.124 0.000 1.149 165 Y CB -0.387 38.181 38.460 0.181 0.000 0.976 165 Y HN 0.128 nan 8.280 nan 0.000 0.505 166 K N 0.187 120.841 120.400 0.423 0.000 2.026 166 K HA -0.196 4.124 4.320 0.001 0.000 0.208 166 K C 2.401 179.078 176.600 0.129 0.000 1.048 166 K CA 1.773 58.212 56.287 0.252 0.000 0.929 166 K CB -0.312 32.242 32.500 0.091 0.000 0.713 166 K HN 0.396 nan 8.250 nan 0.000 0.439 167 S N 0.453 116.211 115.700 0.096 0.000 2.399 167 S HA -0.132 4.338 4.470 0.001 0.000 0.231 167 S C 1.383 176.009 174.600 0.043 0.000 1.022 167 S CA 1.234 59.463 58.200 0.049 0.000 0.983 167 S CB -0.226 62.994 63.200 0.034 0.000 0.803 167 S HN 0.425 nan 8.310 nan 0.000 0.480 168 E N 0.882 121.110 120.200 0.048 0.000 2.502 168 E HA 0.258 4.609 4.350 0.001 0.000 0.194 168 E C 1.086 177.715 176.600 0.048 0.000 1.062 168 E CA 0.105 56.516 56.400 0.019 0.000 0.867 168 E CB -0.343 29.333 29.700 -0.041 0.000 0.888 168 E HN 0.717 nan 8.360 nan 0.000 0.510 169 G N 2.616 111.473 108.800 0.094 0.000 2.249 169 G HA2 -0.297 3.663 3.960 0.001 0.000 0.273 169 G HA3 -0.297 3.663 3.960 0.001 0.000 0.273 169 G C 0.069 175.065 174.900 0.162 0.000 1.036 169 G CA 0.117 45.288 45.100 0.120 0.000 0.824 169 G HN 0.042 nan 8.290 nan 0.000 0.504 170 K N 0.154 120.671 120.400 0.194 0.000 2.382 170 K HA 0.057 4.378 4.320 0.001 0.000 0.275 170 K C 0.512 177.300 176.600 0.312 0.000 1.009 170 K CA -0.267 56.129 56.287 0.182 0.000 0.970 170 K CB 0.541 33.054 32.500 0.021 0.000 0.934 170 K HN 0.473 nan 8.250 nan 0.000 0.479 171 N N 2.689 121.561 118.700 0.287 0.000 2.719 171 N HA 0.071 4.812 4.740 0.001 0.000 0.243 171 N C -0.980 174.671 175.510 0.235 0.000 1.104 171 N CA -0.379 52.833 53.050 0.269 0.000 0.981 171 N CB 0.523 39.122 38.487 0.188 0.000 1.290 171 N HN 0.098 nan 8.380 nan 0.000 0.513 172 V N 4.322 124.285 119.914 0.082 0.000 2.389 172 V HA 0.014 4.135 4.120 0.001 0.000 0.264 172 V C 1.501 177.567 176.094 -0.045 0.000 1.049 172 V CA -0.289 61.927 62.300 -0.140 0.000 0.932 172 V CB 1.098 32.471 31.823 -0.750 0.000 1.011 172 V HN 0.483 nan 8.190 nan 0.000 0.475 173 V N 3.795 123.680 119.914 -0.048 0.000 2.427 173 V HA -0.036 4.085 4.120 0.001 0.000 0.248 173 V C 0.935 176.909 176.094 -0.200 0.000 1.051 173 V CA 1.646 63.893 62.300 -0.089 0.000 1.048 173 V CB -0.308 31.443 31.823 -0.120 0.000 0.666 173 V HN 0.991 nan 8.190 nan 0.000 0.456 174 S N -1.509 114.025 115.700 -0.276 0.000 2.543 174 S HA 0.786 5.257 4.470 0.001 0.000 0.274 174 S C -0.978 173.449 174.600 -0.288 0.000 1.149 174 S CA -0.153 57.761 58.200 -0.475 0.000 0.866 174 S CB 1.988 64.629 63.200 -0.932 0.000 1.111 174 S HN 0.786 nan 8.310 nan 0.000 0.457 175 A N 1.582 124.298 122.820 -0.173 0.000 2.357 175 A HA 0.756 5.077 4.320 0.001 0.000 0.295 175 A C -1.212 176.465 177.584 0.155 0.000 1.121 175 A CA -0.578 51.331 52.037 -0.214 0.000 0.742 175 A CB 1.083 19.611 19.000 -0.787 0.000 1.181 175 A HN 1.137 nan 8.150 nan 0.000 0.454 176 L N 1.680 122.971 121.223 0.113 0.000 2.295 176 L HA 0.704 5.045 4.340 0.001 0.000 0.285 176 L C -0.090 176.861 176.870 0.136 0.000 1.035 176 L CA -0.129 54.749 54.840 0.063 0.000 0.806 176 L CB 1.702 43.608 42.059 -0.255 0.000 1.214 176 L HN 0.765 nan 8.230 nan 0.000 0.426 177 Q N 4.141 124.038 119.800 0.161 0.000 2.316 177 Q HA 0.615 4.956 4.340 0.001 0.000 0.264 177 Q C -1.904 174.191 176.000 0.158 0.000 0.987 177 Q CA -0.169 55.774 55.803 0.233 0.000 0.852 177 Q CB 1.427 30.347 28.738 0.304 0.000 1.287 177 Q HN 0.718 nan 8.270 nan 0.000 0.448 178 L N 3.723 125.053 121.223 0.178 0.000 2.316 178 L HA 0.563 4.904 4.340 0.001 0.000 0.280 178 L C -0.908 176.026 176.870 0.106 0.000 1.006 178 L CA -0.590 54.318 54.840 0.113 0.000 0.836 178 L CB 1.554 43.678 42.059 0.108 0.000 1.221 178 L HN 0.620 nan 8.230 nan 0.000 0.418 179 D N 6.611 127.059 120.400 0.079 0.000 2.319 179 D HA 0.376 5.017 4.640 0.001 0.000 0.237 179 D C -0.655 175.701 176.300 0.093 0.000 1.353 179 D CA -0.247 53.822 54.000 0.115 0.000 0.992 179 D CB 1.083 42.028 40.800 0.241 0.000 1.368 179 D HN 0.468 nan 8.370 nan 0.000 0.564 180 M N 1.681 121.243 119.600 -0.063 0.000 4.031 180 M HA -0.176 4.305 4.480 0.001 0.000 0.157 180 M C 0.292 176.313 176.300 -0.465 0.000 1.530 180 M CA 0.748 55.929 55.300 -0.198 0.000 1.092 180 M CB -1.394 31.104 32.600 -0.169 0.000 1.345 180 M HN 0.430 nan 8.290 nan 0.000 0.210 181 T N -3.188 111.080 114.554 -0.476 0.000 3.091 181 T HA 0.311 4.662 4.350 0.001 0.000 0.277 181 T C 0.565 175.025 174.700 -0.399 0.000 0.996 181 T CA 0.325 61.894 62.100 -0.885 0.000 0.897 181 T CB 0.180 68.667 68.868 -0.635 0.000 1.109 181 T HN 0.626 nan 8.240 nan 0.000 0.534 182 N N 0.446 119.096 118.700 -0.083 0.000 2.232 182 N HA 0.230 4.971 4.740 0.001 0.000 0.240 182 N C -1.522 174.094 175.510 0.178 0.000 1.307 182 N CA -0.594 52.527 53.050 0.118 0.000 0.859 182 N CB 0.624 39.142 38.487 0.053 0.000 1.260 182 N HN 0.564 nan 8.380 nan 0.000 0.501 183 Y N 0.717 121.022 120.300 0.008 0.000 2.326 183 Y HA 0.385 4.936 4.550 0.002 0.000 0.329 183 Y C -0.461 175.274 175.900 -0.275 0.000 0.973 183 Y CA -1.039 56.988 58.100 -0.121 0.000 1.162 183 Y CB 0.989 39.386 38.460 -0.105 0.000 1.147 183 Y HN -0.189 nan 8.280 nan 0.000 0.456 184 K N 4.654 124.534 120.400 -0.866 0.000 2.142 184 K HA 0.250 4.571 4.320 0.001 0.000 0.250 184 K C 0.915 177.127 176.600 -0.646 0.000 1.148 184 K CA 0.344 56.092 56.287 -0.899 0.000 1.040 184 K CB -0.172 31.799 32.500 -0.881 0.000 1.569 184 K HN 1.045 nan 8.250 nan 0.000 0.361 185 G N 1.051 109.642 108.800 -0.349 0.000 2.572 185 G HA2 -0.050 3.911 3.960 0.001 0.000 0.216 185 G HA3 -0.050 3.911 3.960 0.001 0.000 0.216 185 G C 0.072 174.939 174.900 -0.056 0.000 1.133 185 G CA 0.093 45.121 45.100 -0.120 0.000 0.791 185 G HN 0.503 nan 8.290 nan 0.000 0.538 186 S N -1.822 113.848 115.700 -0.050 0.000 2.740 186 S HA 0.618 5.089 4.470 0.001 0.000 0.300 186 S C 1.199 175.785 174.600 -0.022 0.000 1.147 186 S CA -0.056 58.142 58.200 -0.003 0.000 0.871 186 S CB 1.595 64.829 63.200 0.058 0.000 1.173 186 S HN 0.209 nan 8.310 nan 0.000 0.510 187 A N 0.016 122.835 122.820 -0.001 0.000 1.969 187 A HA 0.014 4.335 4.320 0.001 0.000 0.218 187 A C 0.749 178.337 177.584 0.006 0.000 1.169 187 A CA 1.231 53.264 52.037 -0.006 0.000 0.635 187 A CB -0.547 18.454 19.000 0.000 0.000 0.810 187 A HN 0.718 nan 8.150 nan 0.000 0.445 188 Q N 0.593 120.410 119.800 0.028 0.000 2.373 188 Q HA 0.198 4.539 4.340 0.001 0.000 0.255 188 Q C 0.247 176.293 176.000 0.075 0.000 0.980 188 Q CA 0.205 56.031 55.803 0.038 0.000 0.882 188 Q CB 0.636 29.402 28.738 0.047 0.000 1.249 188 Q HN 0.391 nan 8.270 nan 0.000 0.438 189 D N 0.224 120.662 120.400 0.064 0.000 2.123 189 D HA -0.030 4.611 4.640 0.001 0.000 0.200 189 D C -0.117 176.189 176.300 0.011 0.000 0.976 189 D CA 1.059 55.116 54.000 0.095 0.000 0.831 189 D CB 0.484 41.280 40.800 -0.008 0.000 0.974 189 D HN 0.184 nan 8.370 nan 0.000 0.469 190 V N 1.018 120.878 119.914 -0.090 0.000 2.760 190 V HA 0.318 4.439 4.120 0.001 0.000 0.309 190 V C -0.356 175.619 176.094 -0.199 0.000 1.077 190 V CA -0.790 61.360 62.300 -0.250 0.000 0.910 190 V CB 2.976 34.427 31.823 -0.619 0.000 1.008 190 V HN -0.257 nan 8.190 nan 0.000 0.424 191 V N 4.536 124.353 119.914 -0.162 0.000 2.443 191 V HA 0.487 4.608 4.120 0.001 0.000 0.293 191 V C -0.730 175.248 176.094 -0.193 0.000 1.021 191 V CA -0.493 61.746 62.300 -0.102 0.000 0.848 191 V CB 1.437 33.347 31.823 0.147 0.000 0.998 191 V HN 0.671 nan 8.190 nan 0.000 0.424 192 F N 4.883 124.740 119.950 -0.155 0.000 2.438 192 F HA 0.418 4.946 4.527 0.001 0.000 0.356 192 F C 0.562 176.378 175.800 0.026 0.000 1.099 192 F CA -0.494 57.445 58.000 -0.102 0.000 1.185 192 F CB 0.680 39.548 39.000 -0.220 0.000 1.115 192 F HN 0.214 nan 8.300 nan 0.000 0.526 193 I N 3.140 123.789 120.570 0.131 0.000 2.416 193 I HA 0.052 4.223 4.170 0.001 0.000 0.288 193 I C 1.306 177.466 176.117 0.071 0.000 1.051 193 I CA 0.086 61.400 61.300 0.024 0.000 1.375 193 I CB 1.015 38.898 38.000 -0.195 0.000 1.407 193 I HN 0.732 nan 8.210 nan 0.000 0.516 194 T N 0.292 114.901 114.554 0.090 0.000 3.040 194 T HA 0.084 4.434 4.350 0.001 0.000 0.250 194 T C 0.281 174.995 174.700 0.024 0.000 1.058 194 T CA -0.403 61.755 62.100 0.096 0.000 0.988 194 T CB -0.124 68.821 68.868 0.128 0.000 0.993 194 T HN 0.572 nan 8.240 nan 0.000 0.519 195 D N 0.404 120.805 120.400 0.003 0.000 2.193 195 D HA 0.195 4.835 4.640 0.001 0.000 0.249 195 D C -0.307 176.018 176.300 0.041 0.000 1.034 195 D CA -1.098 52.882 54.000 -0.035 0.000 0.902 195 D CB 0.363 41.161 40.800 -0.004 0.000 1.182 195 D HN 0.260 nan 8.370 nan 0.000 0.436 196 Y N -1.246 118.852 120.300 -0.337 0.000 4.177 196 Y HA -0.269 4.281 4.550 0.001 0.000 0.227 196 Y C 0.485 176.134 175.900 -0.417 0.000 1.154 196 Y CA 1.190 58.874 58.100 -0.694 0.000 1.887 196 Y CB -2.145 36.118 38.460 -0.327 0.000 1.594 196 Y HN 0.803 nan 8.280 nan 0.000 0.668 197 T N -4.101 110.375 114.554 -0.130 0.000 2.883 197 T HA 0.556 4.907 4.350 0.001 0.000 0.296 197 T C -1.006 173.823 174.700 0.214 0.000 1.117 197 T CA -0.780 61.417 62.100 0.161 0.000 1.006 197 T CB 2.721 71.663 68.868 0.123 0.000 1.191 197 T HN 0.079 nan 8.240 nan 0.000 0.508 198 D N 0.137 120.709 120.400 0.285 0.000 2.232 198 D HA 0.423 5.064 4.640 0.001 0.000 0.242 198 D C 1.500 177.909 176.300 0.182 0.000 1.093 198 D CA -0.215 53.940 54.000 0.259 0.000 0.845 198 D CB 1.465 42.458 40.800 0.322 0.000 1.124 198 D HN 0.599 nan 8.370 nan 0.000 0.467 199 S N 2.762 118.536 115.700 0.125 0.000 2.406 199 S HA -0.165 4.306 4.470 0.001 0.000 0.228 199 S C 1.418 176.069 174.600 0.085 0.000 1.020 199 S CA 0.824 59.069 58.200 0.075 0.000 0.965 199 S CB -0.360 62.862 63.200 0.037 0.000 0.798 199 S HN 0.609 nan 8.310 nan 0.000 0.488 200 N N 0.410 119.181 118.700 0.119 0.000 2.120 200 N HA -0.010 4.730 4.740 0.001 0.000 0.188 200 N C 1.486 177.131 175.510 0.225 0.000 1.024 200 N CA 1.369 54.499 53.050 0.133 0.000 0.852 200 N CB -0.295 38.258 38.487 0.110 0.000 1.003 200 N HN 0.374 nan 8.380 nan 0.000 0.424 201 F N 2.013 122.010 119.950 0.078 0.000 2.146 201 F HA -0.088 4.440 4.527 0.001 0.000 0.298 201 F C 2.221 178.082 175.800 0.101 0.000 1.096 201 F CA 1.218 59.287 58.000 0.114 0.000 1.275 201 F CB -0.959 38.104 39.000 0.106 0.000 1.008 201 F HN -0.084 nan 8.300 nan 0.000 0.480 202 T N 0.749 115.253 114.554 -0.083 0.000 2.684 202 T HA -0.200 4.150 4.350 0.001 0.000 0.267 202 T C 1.905 176.408 174.700 -0.328 0.000 1.036 202 T CA 1.576 63.495 62.100 -0.302 0.000 1.148 202 T CB -0.244 68.549 68.868 -0.126 0.000 0.863 202 T HN 0.252 nan 8.240 nan 0.000 0.436 203 Q N -0.023 119.717 119.800 -0.101 0.000 2.124 203 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 203 Q C 2.038 178.007 176.000 -0.053 0.000 0.977 203 Q CA 1.259 57.015 55.803 -0.078 0.000 0.850 203 Q CB -0.558 28.181 28.738 0.001 0.000 0.901 203 Q HN 0.715 nan 8.270 nan 0.000 0.429 204 Y N 1.345 121.612 120.300 -0.055 0.000 2.165 204 Y HA -0.212 4.339 4.550 0.002 0.000 0.286 204 Y C 2.008 177.873 175.900 -0.059 0.000 1.155 204 Y CA 1.335 59.440 58.100 0.009 0.000 1.164 204 Y CB -0.388 38.166 38.460 0.156 0.000 0.978 204 Y HN 0.011 nan 8.280 nan 0.000 0.513 205 L N -0.179 120.886 121.223 -0.264 0.000 2.083 205 L HA -0.222 4.118 4.340 0.001 0.000 0.209 205 L C 2.657 179.234 176.870 -0.488 0.000 1.083 205 L CA 1.912 56.513 54.840 -0.398 0.000 0.752 205 L CB -1.174 40.661 42.059 -0.373 0.000 0.899 205 L HN 0.427 nan 8.230 nan 0.000 0.433 206 T N -3.237 110.924 114.554 -0.655 0.000 2.867 206 T HA -0.221 4.130 4.350 0.001 0.000 0.268 206 T C 1.744 176.242 174.700 -0.336 0.000 1.057 206 T CA 1.132 62.823 62.100 -0.680 0.000 1.136 206 T CB -0.213 68.293 68.868 -0.604 0.000 0.874 206 T HN 0.375 nan 8.240 nan 0.000 0.466 207 Q N 0.625 120.270 119.800 -0.258 0.000 2.119 207 Q HA 0.156 4.497 4.340 0.001 0.000 0.201 207 Q C 2.428 178.291 176.000 -0.227 0.000 0.972 207 Q CA 1.196 56.889 55.803 -0.184 0.000 0.847 207 Q CB -0.437 28.217 28.738 -0.140 0.000 0.903 207 Q HN 0.503 nan 8.270 nan 0.000 0.433 208 L N -0.142 120.901 121.223 -0.301 0.000 2.046 208 L HA -0.195 4.146 4.340 0.001 0.000 0.208 208 L C 2.428 179.271 176.870 -0.044 0.000 1.077 208 L CA 1.070 55.826 54.840 -0.139 0.000 0.747 208 L CB -0.396 41.594 42.059 -0.115 0.000 0.896 208 L HN 0.365 nan 8.230 nan 0.000 0.432 209 M N -0.582 118.958 119.600 -0.101 0.000 2.117 209 M HA -0.201 4.280 4.480 0.001 0.000 0.262 209 M C 1.788 178.105 176.300 0.029 0.000 1.065 209 M CA 1.520 56.802 55.300 -0.030 0.000 1.114 209 M CB -0.534 32.008 32.600 -0.096 0.000 1.361 209 M HN 0.209 nan 8.290 nan 0.000 0.408 210 D N 0.195 120.603 120.400 0.013 0.000 2.117 210 D HA -0.174 4.467 4.640 0.001 0.000 0.197 210 D C 1.862 178.124 176.300 -0.063 0.000 0.987 210 D CA 1.369 55.387 54.000 0.030 0.000 0.829 210 D CB -0.238 40.579 40.800 0.028 0.000 0.961 210 D HN 0.336 nan 8.370 nan 0.000 0.460 211 E N -0.613 119.478 120.200 -0.182 0.000 2.051 211 E HA -0.116 4.235 4.350 0.001 0.000 0.189 211 E C 1.277 177.687 176.600 -0.317 0.000 0.979 211 E CA 1.112 57.290 56.400 -0.370 0.000 0.803 211 E CB -0.108 29.148 29.700 -0.739 0.000 0.761 211 E HN 0.302 nan 8.360 nan 0.000 0.451 212 Y N -1.018 119.262 120.300 -0.032 0.000 2.462 212 Y HA 0.386 4.937 4.550 0.001 0.000 0.253 212 Y C 0.573 176.458 175.900 -0.025 0.000 1.095 212 Y CA 0.053 58.134 58.100 -0.032 0.000 1.283 212 Y CB 0.764 39.198 38.460 -0.043 0.000 1.138 212 Y HN -0.078 nan 8.280 nan 0.000 0.522 213 L N 2.062 123.352 121.223 0.113 0.000 2.960 213 L HA 0.282 4.623 4.340 0.001 0.000 0.274 213 L C -1.769 175.131 176.870 0.051 0.000 1.327 213 L CA -0.910 53.966 54.840 0.060 0.000 0.860 213 L CB 0.973 43.047 42.059 0.025 0.000 1.239 213 L HN -0.126 nan 8.230 nan 0.000 0.551 214 P HA -0.138 nan 4.420 nan 0.000 0.222 214 P C 1.356 178.674 177.300 0.030 0.000 1.147 214 P CA 1.085 64.206 63.100 0.035 0.000 0.790 214 P CB 0.304 32.012 31.700 0.014 0.000 0.780 215 S N -1.348 114.366 115.700 0.023 0.000 2.527 215 S HA 0.051 4.522 4.470 0.001 0.000 0.222 215 S C 1.016 175.623 174.600 0.012 0.000 0.985 215 S CA -0.126 58.081 58.200 0.013 0.000 0.921 215 S CB -0.949 62.257 63.200 0.010 0.000 0.772 215 S HN 0.032 nan 8.310 nan 0.000 0.529 216 L N 2.542 123.780 121.223 0.024 0.000 2.418 216 L HA 0.427 4.768 4.340 0.001 0.000 0.265 216 L C 0.609 177.501 176.870 0.037 0.000 1.143 216 L CA -0.553 54.300 54.840 0.022 0.000 0.809 216 L CB 1.117 43.179 42.059 0.005 0.000 1.124 216 L HN 0.263 nan 8.230 nan 0.000 0.456 217 T N -1.285 113.276 114.554 0.011 0.000 2.918 217 T HA 0.654 5.005 4.350 0.001 0.000 0.286 217 T C -0.804 173.908 174.700 0.019 0.000 1.026 217 T CA -0.627 61.441 62.100 -0.053 0.000 1.031 217 T CB 1.576 70.403 68.868 -0.068 0.000 1.046 217 T HN 0.469 nan 8.240 nan 0.000 0.479 218 Y N -0.900 119.392 120.300 -0.013 0.000 2.553 218 Y HA 0.877 5.428 4.550 0.001 0.000 0.347 218 Y C -0.048 175.822 175.900 -0.051 0.000 1.019 218 Y CA -1.319 56.745 58.100 -0.059 0.000 1.032 218 Y CB 1.229 39.681 38.460 -0.012 0.000 1.284 218 Y HN 1.023 nan 8.280 nan 0.000 0.466 219 G N 0.893 109.717 108.800 0.039 0.000 3.222 219 G HA2 0.753 4.714 3.960 0.001 0.000 0.263 219 G HA3 0.753 4.714 3.960 0.001 0.000 0.263 219 G C -2.208 172.518 174.900 -0.290 0.000 1.312 219 G CA -1.110 44.007 45.100 0.029 0.000 0.934 219 G HN 0.504 nan 8.290 nan 0.000 0.577 220 F N -0.844 119.254 119.950 0.246 0.000 2.619 220 F HA 0.665 5.193 4.527 0.002 0.000 0.308 220 F C -0.528 175.376 175.800 0.175 0.000 1.097 220 F CA -0.579 57.560 58.000 0.231 0.000 0.953 220 F CB 3.037 42.151 39.000 0.190 0.000 1.287 220 F HN 0.445 nan 8.300 nan 0.000 0.446 221 D N -0.614 119.974 120.400 0.315 0.000 2.713 221 D HA 0.469 5.110 4.640 0.001 0.000 0.306 221 D C -1.411 174.954 176.300 0.108 0.000 1.299 221 D CA -0.218 53.910 54.000 0.213 0.000 0.823 221 D CB 2.261 43.209 40.800 0.247 0.000 1.353 221 D HN 0.547 nan 8.370 nan 0.000 0.447 222 T N -2.002 112.563 114.554 0.018 0.000 2.908 222 T HA 0.432 4.783 4.350 0.001 0.000 0.290 222 T C 1.077 175.505 174.700 -0.454 0.000 1.034 222 T CA -0.525 61.499 62.100 -0.128 0.000 1.010 222 T CB 1.121 69.954 68.868 -0.059 0.000 1.068 222 T HN 0.435 nan 8.240 nan 0.000 0.481 223 c N 0.720 118.916 118.600 -0.673 0.000 2.475 223 c HA 0.442 5.013 4.570 0.001 0.000 0.279 223 c C 2.504 176.287 174.090 -0.512 0.000 1.322 223 c CA 1.098 56.685 56.329 -1.238 0.000 1.734 223 c CB -1.500 40.391 42.510 -1.032 0.000 2.005 223 c HN 1.333 nan 8.230 nan 0.000 0.495 224 G N -0.753 107.949 108.800 -0.163 0.000 2.175 224 G HA2 -0.211 3.750 3.960 0.001 0.000 0.244 224 G HA3 -0.211 3.750 3.960 0.001 0.000 0.244 224 G C -0.057 174.996 174.900 0.254 0.000 0.982 224 G CA 0.664 45.817 45.100 0.087 0.000 0.641 224 G HN 0.951 nan 8.290 nan 0.000 0.527 225 Y N -3.922 116.366 120.300 -0.020 0.000 2.788 225 Y HA 0.745 5.296 4.550 0.001 0.000 0.335 225 Y C -0.049 175.697 175.900 -0.257 0.000 1.287 225 Y CA -1.395 56.689 58.100 -0.027 0.000 1.068 225 Y CB 0.602 39.034 38.460 -0.046 0.000 1.340 225 Y HN 0.995 nan 8.280 nan 0.000 0.449 226 A N 0.820 123.314 122.820 -0.545 0.000 2.906 226 A HA 0.380 4.701 4.320 0.001 0.000 0.289 226 A C 0.864 178.036 177.584 -0.687 0.000 1.675 226 A CA 0.116 51.531 52.037 -1.036 0.000 1.372 226 A CB -1.742 16.688 19.000 -0.951 0.000 1.091 226 A HN 1.233 nan 8.150 nan 0.000 0.579 227 c N -0.434 117.659 118.600 -0.846 0.000 2.594 227 c HA 0.618 5.189 4.570 0.001 0.000 0.265 227 c C 1.077 174.987 174.090 -0.300 0.000 1.351 227 c CA 0.159 56.013 56.329 -0.793 0.000 1.744 227 c CB -1.615 40.261 42.510 -1.057 0.000 1.890 227 c HN 1.086 nan 8.230 nan 0.000 0.551 228 A N 0.276 122.926 122.820 -0.284 0.000 2.557 228 A HA 0.506 4.827 4.320 0.001 0.000 0.292 228 A C -0.030 177.403 177.584 -0.253 0.000 1.139 228 A CA -0.046 51.936 52.037 -0.092 0.000 0.665 228 A CB -0.106 19.020 19.000 0.211 0.000 1.285 228 A HN 0.098 nan 8.150 nan 0.000 0.433 229 D N -0.140 120.235 120.400 -0.042 0.000 2.310 229 D HA -0.114 4.527 4.640 0.001 0.000 0.212 229 D C 1.356 177.637 176.300 -0.031 0.000 0.965 229 D CA 1.854 55.746 54.000 -0.180 0.000 0.879 229 D CB -0.236 40.385 40.800 -0.299 0.000 0.921 229 D HN 0.804 nan 8.370 nan 0.000 0.510 230 H N 0.598 119.745 119.070 0.128 0.000 2.426 230 H HA -0.012 4.545 4.556 0.002 0.000 0.298 230 H C 2.039 177.502 175.328 0.226 0.000 1.107 230 H CA 1.472 57.671 56.048 0.253 0.000 1.298 230 H CB -0.293 29.578 29.762 0.182 0.000 1.377 230 H HN 0.073 nan 8.280 nan 0.000 0.519 231 A N 0.884 123.353 122.820 -0.585 0.000 1.972 231 A HA -0.169 4.151 4.320 0.001 0.000 0.219 231 A C 2.471 180.008 177.584 -0.079 0.000 1.169 231 A CA 1.473 53.317 52.037 -0.322 0.000 0.635 231 A CB -0.714 17.824 19.000 -0.770 0.000 0.810 231 A HN 0.503 nan 8.150 nan 0.000 0.446 232 S N -1.018 114.559 115.700 -0.206 0.000 2.356 232 S HA -0.204 4.267 4.470 0.001 0.000 0.223 232 S C 1.586 176.072 174.600 -0.190 0.000 1.032 232 S CA 1.429 59.465 58.200 -0.275 0.000 1.005 232 S CB -0.516 62.378 63.200 -0.510 0.000 0.867 232 S HN 0.815 nan 8.310 nan 0.000 0.449 233 W N 0.977 122.317 121.300 0.068 0.000 2.355 233 W HA -0.101 4.560 4.660 0.002 0.000 0.309 233 W C 2.538 179.209 176.519 0.254 0.000 1.206 233 W CA 1.239 58.701 57.345 0.195 0.000 1.284 233 W CB -0.757 28.813 29.460 0.183 0.000 1.145 233 W HN 0.453 nan 8.180 nan 0.000 0.502 234 H N 0.296 119.580 119.070 0.357 0.000 2.319 234 H HA -0.154 4.402 4.556 0.001 0.000 0.299 234 H C 1.667 177.093 175.328 0.164 0.000 1.092 234 H CA 2.462 58.672 56.048 0.270 0.000 1.302 234 H CB -0.522 29.414 29.762 0.291 0.000 1.373 234 H HN 0.150 nan 8.280 nan 0.000 0.497 235 N N -0.495 118.327 118.700 0.203 0.000 2.309 235 N HA -0.074 4.667 4.740 0.001 0.000 0.182 235 N C 1.541 177.034 175.510 -0.028 0.000 1.018 235 N CA 0.512 53.608 53.050 0.077 0.000 0.876 235 N CB -0.026 38.520 38.487 0.100 0.000 0.972 235 N HN 0.427 nan 8.380 nan 0.000 0.434 236 A N 0.363 123.174 122.820 -0.014 0.000 2.235 236 A HA 0.311 4.632 4.320 0.001 0.000 0.208 236 A C 1.542 178.955 177.584 -0.286 0.000 1.172 236 A CA 0.762 52.750 52.037 -0.082 0.000 0.786 236 A CB -0.285 18.742 19.000 0.045 0.000 0.804 236 A HN 0.338 nan 8.150 nan 0.000 0.479 237 G N -2.635 106.023 108.800 -0.236 0.000 2.141 237 G HA2 -0.239 3.722 3.960 0.001 0.000 0.231 237 G HA3 -0.239 3.722 3.960 0.001 0.000 0.231 237 G C -0.187 174.559 174.900 -0.256 0.000 0.984 237 G CA 0.206 45.126 45.100 -0.301 0.000 0.660 237 G HN 0.391 nan 8.290 nan 0.000 0.525 238 Y N 0.132 120.502 120.300 0.116 0.000 2.419 238 Y HA 0.584 5.134 4.550 0.001 0.000 0.328 238 Y C -2.008 173.988 175.900 0.160 0.000 1.162 238 Y CA -2.841 55.351 58.100 0.153 0.000 1.174 238 Y CB 1.188 39.806 38.460 0.264 0.000 1.228 238 Y HN -0.069 nan 8.280 nan 0.000 0.473 239 P HA 0.326 nan 4.420 nan 0.000 0.271 239 P C -1.121 176.389 177.300 0.351 0.000 1.226 239 P CA 0.059 63.315 63.100 0.260 0.000 0.765 239 P CB 0.699 32.453 31.700 0.090 0.000 0.835 240 A N 2.567 125.700 122.820 0.523 0.000 2.469 240 A HA 0.927 5.248 4.320 0.001 0.000 0.299 240 A C -1.208 176.663 177.584 0.478 0.000 1.098 240 A CA -0.551 51.815 52.037 0.548 0.000 0.737 240 A CB 1.825 21.145 19.000 0.533 0.000 1.312 240 A HN 0.536 nan 8.150 nan 0.000 0.414 241 A N 0.471 123.451 122.820 0.267 0.000 2.606 241 A HA 0.808 5.129 4.320 0.001 0.000 0.293 241 A C -1.055 176.495 177.584 -0.056 0.000 1.082 241 A CA -0.166 51.835 52.037 -0.060 0.000 0.685 241 A CB 1.341 19.968 19.000 -0.622 0.000 1.284 241 A HN 1.541 nan 8.150 nan 0.000 0.408 242 M N 2.571 122.114 119.600 -0.094 0.000 2.106 242 M HA 0.344 4.825 4.480 0.001 0.000 0.241 242 M C -2.927 173.362 176.300 -0.019 0.000 0.946 242 M CA -1.696 53.529 55.300 -0.124 0.000 1.024 242 M CB 2.035 34.367 32.600 -0.445 0.000 2.191 242 M HN 0.418 nan 8.290 nan 0.000 0.429 243 P HA 0.228 nan 4.420 nan 0.000 0.276 243 P C -1.439 175.948 177.300 0.144 0.000 1.243 243 P CA 0.132 63.133 63.100 -0.166 0.000 0.768 243 P CB 0.420 31.998 31.700 -0.204 0.000 0.856 244 F N 2.516 122.442 119.950 -0.040 0.000 2.579 244 F HA 0.250 4.778 4.527 0.002 0.000 0.324 244 F C 1.659 177.488 175.800 0.049 0.000 1.058 244 F CA -1.136 56.837 58.000 -0.045 0.000 0.944 244 F CB 1.854 40.858 39.000 0.007 0.000 1.245 244 F HN 0.415 nan 8.300 nan 0.000 0.477 245 E N 0.827 120.542 120.200 -0.808 0.000 2.204 245 E HA 0.062 4.413 4.350 0.001 0.000 0.195 245 E C -0.044 176.566 176.600 0.017 0.000 0.990 245 E CA 1.073 57.248 56.400 -0.376 0.000 0.821 245 E CB -0.042 29.391 29.700 -0.446 0.000 0.750 245 E HN 0.473 nan 8.360 nan 0.000 0.477 246 S N -1.139 114.515 115.700 -0.077 0.000 2.655 246 S HA 0.329 4.800 4.470 0.001 0.000 0.266 246 S C -0.935 173.847 174.600 0.302 0.000 1.149 246 S CA -1.294 56.982 58.200 0.126 0.000 0.818 246 S CB 1.208 64.470 63.200 0.104 0.000 1.130 246 S HN -0.048 nan 8.310 nan 0.000 0.476 247 K N 0.235 120.792 120.400 0.261 0.000 2.380 247 K HA 0.247 4.568 4.320 0.001 0.000 0.267 247 K C 0.589 177.450 176.600 0.435 0.000 0.990 247 K CA -0.203 56.278 56.287 0.323 0.000 0.946 247 K CB -0.077 32.551 32.500 0.214 0.000 0.937 247 K HN 0.649 nan 8.250 nan 0.000 0.491 248 F N 2.118 122.260 119.950 0.319 0.000 2.234 248 F HA -0.164 4.364 4.527 0.001 0.000 0.299 248 F C 1.948 177.881 175.800 0.222 0.000 1.087 248 F CA 1.464 59.694 58.000 0.384 0.000 1.340 248 F CB -0.052 39.093 39.000 0.240 0.000 1.031 248 F HN 0.658 nan 8.300 nan 0.000 0.500 249 N N -0.322 118.474 118.700 0.161 0.000 2.512 249 N HA -0.133 4.608 4.740 0.001 0.000 0.183 249 N C 0.278 175.726 175.510 -0.104 0.000 1.073 249 N CA 0.978 54.020 53.050 -0.013 0.000 0.911 249 N CB -0.052 38.472 38.487 0.062 0.000 0.964 249 N HN 0.246 nan 8.380 nan 0.000 0.447 250 D N -0.433 119.954 120.400 -0.021 0.000 2.431 250 D HA 0.021 4.662 4.640 0.001 0.000 0.213 250 D C -0.004 176.335 176.300 0.065 0.000 1.130 250 D CA -0.210 53.803 54.000 0.020 0.000 0.834 250 D CB -0.001 40.853 40.800 0.090 0.000 0.985 250 D HN 0.357 nan 8.370 nan 0.000 0.504 251 Y N 0.690 120.977 120.300 -0.021 0.000 2.330 251 Y HA 0.175 4.726 4.550 0.001 0.000 0.341 251 Y C 0.556 176.292 175.900 -0.272 0.000 1.278 251 Y CA -1.514 56.535 58.100 -0.084 0.000 1.453 251 Y CB -0.330 38.088 38.460 -0.070 0.000 1.342 251 Y HN -0.255 nan 8.280 nan 0.000 0.590 252 N N 3.168 121.740 118.700 -0.212 0.000 2.236 252 N HA -0.048 4.693 4.740 0.001 0.000 0.274 252 N C -1.876 173.419 175.510 -0.359 0.000 1.339 252 N CA -0.814 51.716 53.050 -0.868 0.000 0.845 252 N CB 0.503 38.631 38.487 -0.599 0.000 1.091 252 N HN 0.517 nan 8.380 nan 0.000 0.489 253 P HA -0.017 nan 4.420 nan 0.000 0.245 253 P C -0.112 177.104 177.300 -0.141 0.000 1.212 253 P CA 0.743 63.714 63.100 -0.215 0.000 0.774 253 P CB 0.281 31.874 31.700 -0.178 0.000 0.999 254 R N 0.052 120.456 120.500 -0.160 0.000 2.472 254 R HA 0.258 4.598 4.340 0.001 0.000 0.279 254 R C 1.168 177.422 176.300 -0.075 0.000 0.953 254 R CA -0.399 55.644 56.100 -0.096 0.000 1.088 254 R CB -0.033 30.213 30.300 -0.089 0.000 1.197 254 R HN 0.280 nan 8.270 nan 0.000 0.536 255 I N -1.221 119.283 120.570 -0.110 0.000 2.836 255 I HA 0.004 4.175 4.170 0.001 0.000 0.285 255 I C -0.100 175.968 176.117 -0.082 0.000 1.174 255 I CA 0.223 61.428 61.300 -0.159 0.000 1.405 255 I CB 0.086 37.881 38.000 -0.341 0.000 1.385 255 I HN 0.446 nan 8.210 nan 0.000 0.594 256 H N 0.415 119.505 119.070 0.033 0.000 2.862 256 H HA -0.164 4.393 4.556 0.002 0.000 0.290 256 H C -0.060 175.276 175.328 0.015 0.000 1.211 256 H CA 0.524 56.592 56.048 0.035 0.000 1.140 256 H CB -1.796 27.993 29.762 0.044 0.000 1.341 256 H HN 1.025 nan 8.280 nan 0.000 0.392 257 T N -4.361 110.257 114.554 0.108 0.000 2.838 257 T HA 0.336 4.687 4.350 0.001 0.000 0.292 257 T C 1.480 176.201 174.700 0.036 0.000 1.113 257 T CA -0.252 61.880 62.100 0.053 0.000 1.008 257 T CB 1.853 70.737 68.868 0.026 0.000 1.259 257 T HN 0.167 nan 8.240 nan 0.000 0.520 258 T N -1.180 113.385 114.554 0.018 0.000 3.025 258 T HA -0.043 4.307 4.350 0.001 0.000 0.270 258 T C 1.082 175.787 174.700 0.008 0.000 1.126 258 T CA 0.767 62.874 62.100 0.012 0.000 1.105 258 T CB -0.298 68.572 68.868 0.003 0.000 0.884 258 T HN 0.549 nan 8.240 nan 0.000 0.522 259 Q N 0.920 120.723 119.800 0.005 0.000 2.198 259 Q HA 0.198 4.539 4.340 0.001 0.000 0.209 259 Q C -0.079 175.916 176.000 -0.007 0.000 0.848 259 Q CA -0.031 55.771 55.803 -0.002 0.000 0.974 259 Q CB 0.286 29.020 28.738 -0.006 0.000 1.115 259 Q HN 0.521 nan 8.270 nan 0.000 0.494 260 D N 2.479 122.878 120.400 -0.001 0.000 2.545 260 D HA 0.011 4.651 4.640 0.001 0.000 0.227 260 D C -0.320 175.981 176.300 0.001 0.000 1.150 260 D CA 0.196 54.191 54.000 -0.009 0.000 1.046 260 D CB 0.040 40.840 40.800 0.001 0.000 1.098 260 D HN 0.084 nan 8.370 nan 0.000 0.502 261 T N -0.901 113.654 114.554 0.001 0.000 2.950 261 T HA 0.228 4.579 4.350 0.001 0.000 0.288 261 T C 1.196 175.903 174.700 0.012 0.000 1.035 261 T CA -0.967 61.136 62.100 0.005 0.000 1.028 261 T CB 1.482 70.352 68.868 0.004 0.000 1.109 261 T HN 0.046 nan 8.240 nan 0.000 0.514 262 L N 1.692 122.923 121.223 0.012 0.000 2.079 262 L HA 0.095 4.436 4.340 0.001 0.000 0.210 262 L C 2.653 179.539 176.870 0.026 0.000 1.081 262 L CA 2.441 57.294 54.840 0.020 0.000 0.752 262 L CB -1.417 40.652 42.059 0.016 0.000 0.896 262 L HN 0.938 nan 8.230 nan 0.000 0.433 263 A N -0.805 122.026 122.820 0.019 0.000 2.019 263 A HA -0.159 4.161 4.320 0.001 0.000 0.219 263 A C 1.936 179.540 177.584 0.033 0.000 1.164 263 A CA 1.644 53.694 52.037 0.021 0.000 0.644 263 A CB -0.623 18.385 19.000 0.012 0.000 0.805 263 A HN 0.612 nan 8.150 nan 0.000 0.449 264 N N -0.159 118.564 118.700 0.038 0.000 2.412 264 N HA 0.002 4.743 4.740 0.001 0.000 0.184 264 N C 1.080 176.665 175.510 0.127 0.000 1.101 264 N CA 0.916 54.002 53.050 0.062 0.000 0.881 264 N CB 0.104 38.606 38.487 0.026 0.000 0.969 264 N HN 0.667 nan 8.380 nan 0.000 0.459 265 S N -0.322 115.442 115.700 0.108 0.000 3.006 265 S HA 0.210 4.680 4.470 0.001 0.000 0.225 265 S C -0.115 174.537 174.600 0.086 0.000 1.097 265 S CA -0.505 57.792 58.200 0.163 0.000 1.260 265 S CB 0.367 63.636 63.200 0.115 0.000 1.085 265 S HN -0.022 nan 8.310 nan 0.000 0.568 266 D N 2.123 122.559 120.400 0.060 0.000 2.473 266 D HA 0.428 5.069 4.640 0.001 0.000 0.226 266 D C -1.957 174.365 176.300 0.037 0.000 1.089 266 D CA -2.573 51.444 54.000 0.028 0.000 0.883 266 D CB 1.335 42.153 40.800 0.030 0.000 1.029 266 D HN 0.061 nan 8.370 nan 0.000 0.517 267 P HA -0.069 nan 4.420 nan 0.000 0.234 267 P C 1.147 178.463 177.300 0.026 0.000 1.167 267 P CA 0.726 63.842 63.100 0.026 0.000 0.763 267 P CB -0.058 31.652 31.700 0.018 0.000 0.835 268 T N -4.689 109.881 114.554 0.026 0.000 3.067 268 T HA 0.171 4.522 4.350 0.001 0.000 0.261 268 T C 1.715 176.439 174.700 0.040 0.000 1.110 268 T CA 0.937 63.054 62.100 0.028 0.000 1.113 268 T CB -1.211 67.670 68.868 0.022 0.000 0.917 268 T HN 0.204 nan 8.240 nan 0.000 0.499 269 G N 1.211 110.042 108.800 0.053 0.000 2.168 269 G HA2 -0.362 3.599 3.960 0.001 0.000 0.263 269 G HA3 -0.362 3.599 3.960 0.001 0.000 0.263 269 G C 1.221 176.172 174.900 0.084 0.000 0.977 269 G CA 1.217 46.358 45.100 0.069 0.000 0.659 269 G HN 1.154 nan 8.290 nan 0.000 0.533 270 S N -0.796 114.953 115.700 0.082 0.000 2.368 270 S HA -0.169 4.301 4.470 0.001 0.000 0.225 270 S C 1.773 176.460 174.600 0.146 0.000 1.030 270 S CA 1.867 60.119 58.200 0.088 0.000 0.999 270 S CB -0.385 62.855 63.200 0.066 0.000 0.844 270 S HN 0.717 nan 8.310 nan 0.000 0.459 271 H N 2.296 121.399 119.070 0.056 0.000 2.326 271 H HA 0.246 4.802 4.556 0.001 0.000 0.301 271 H C 2.353 177.820 175.328 0.231 0.000 1.081 271 H CA 1.634 57.751 56.048 0.116 0.000 1.334 271 H CB -0.907 28.902 29.762 0.079 0.000 1.385 271 H HN 0.477 nan 8.280 nan 0.000 0.504 272 A N 0.736 123.672 122.820 0.193 0.000 1.978 272 A HA -0.212 4.109 4.320 0.001 0.000 0.220 272 A C 2.293 179.970 177.584 0.155 0.000 1.170 272 A CA 1.836 53.962 52.037 0.150 0.000 0.636 272 A CB -0.614 18.436 19.000 0.083 0.000 0.810 272 A HN 0.513 nan 8.150 nan 0.000 0.448 273 K N 0.122 120.585 120.400 0.104 0.000 2.103 273 K HA -0.216 4.105 4.320 0.001 0.000 0.207 273 K C 1.910 178.526 176.600 0.028 0.000 1.048 273 K CA 1.853 58.179 56.287 0.064 0.000 0.930 273 K CB -0.175 32.354 32.500 0.048 0.000 0.716 273 K HN 0.514 nan 8.250 nan 0.000 0.444 274 K N -0.307 120.082 120.400 -0.019 0.000 2.026 274 K HA -0.139 4.182 4.320 0.001 0.000 0.208 274 K C 1.999 178.446 176.600 -0.255 0.000 1.048 274 K CA 1.864 58.046 56.287 -0.174 0.000 0.929 274 K CB -0.271 32.020 32.500 -0.348 0.000 0.713 274 K HN 0.094 nan 8.250 nan 0.000 0.439 275 F N 1.323 121.189 119.950 -0.139 0.000 2.171 275 F HA -0.166 4.362 4.527 0.002 0.000 0.300 275 F C 2.569 178.342 175.800 -0.045 0.000 1.090 275 F CA 1.187 59.117 58.000 -0.117 0.000 1.293 275 F CB -0.796 38.119 39.000 -0.142 0.000 1.013 275 F HN -0.001 nan 8.300 nan 0.000 0.486 276 T N -0.648 113.987 114.554 0.134 0.000 2.777 276 T HA -0.200 4.151 4.350 0.001 0.000 0.266 276 T C 1.905 176.639 174.700 0.055 0.000 1.040 276 T CA 1.347 63.505 62.100 0.096 0.000 1.141 276 T CB -0.316 68.600 68.868 0.080 0.000 0.868 276 T HN 0.319 nan 8.240 nan 0.000 0.444 277 Q N 0.176 119.986 119.800 0.018 0.000 2.084 277 Q HA -0.061 4.280 4.340 0.001 0.000 0.202 277 Q C 2.356 178.352 176.000 -0.007 0.000 0.978 277 Q CA 1.055 56.855 55.803 -0.004 0.000 0.844 277 Q CB -0.362 28.364 28.738 -0.021 0.000 0.898 277 Q HN 0.316 nan 8.270 nan 0.000 0.426 278 L N 0.501 121.708 121.223 -0.026 0.000 2.017 278 L HA -0.074 4.267 4.340 0.001 0.000 0.208 278 L C 2.114 179.031 176.870 0.080 0.000 1.073 278 L CA 2.329 57.166 54.840 -0.005 0.000 0.745 278 L CB -1.044 40.968 42.059 -0.078 0.000 0.894 278 L HN 0.177 nan 8.230 nan 0.000 0.432 279 G N -0.581 108.281 108.800 0.103 0.000 2.422 279 G HA2 -0.279 3.682 3.960 0.001 0.000 0.218 279 G HA3 -0.279 3.682 3.960 0.001 0.000 0.218 279 G C 1.576 176.610 174.900 0.225 0.000 1.146 279 G CA 0.965 46.180 45.100 0.192 0.000 0.769 279 G HN 0.415 nan 8.290 nan 0.000 0.547 280 L N 1.290 122.585 121.223 0.119 0.000 2.056 280 L HA 0.223 4.564 4.340 0.001 0.000 0.207 280 L C 3.062 179.936 176.870 0.006 0.000 1.078 280 L CA 2.072 56.950 54.840 0.063 0.000 0.749 280 L CB -0.772 41.304 42.059 0.028 0.000 0.901 280 L HN 0.220 nan 8.230 nan 0.000 0.433 281 A N -1.148 121.657 122.820 -0.025 0.000 1.908 281 A HA -0.310 4.011 4.320 0.001 0.000 0.218 281 A C 2.318 179.929 177.584 0.044 0.000 1.181 281 A CA 1.939 53.908 52.037 -0.114 0.000 0.627 281 A CB -1.306 17.604 19.000 -0.151 0.000 0.818 281 A HN 0.667 nan 8.150 nan 0.000 0.445 282 Y N 0.785 121.110 120.300 0.042 0.000 2.097 282 Y HA -0.170 4.381 4.550 0.001 0.000 0.282 282 Y C 2.602 178.577 175.900 0.125 0.000 1.152 282 Y CA 1.577 59.768 58.100 0.150 0.000 1.136 282 Y CB -0.736 37.839 38.460 0.192 0.000 0.975 282 Y HN 0.298 nan 8.280 nan 0.000 0.498 283 A N 0.513 123.303 122.820 -0.049 0.000 1.902 283 A HA -0.167 4.154 4.320 0.001 0.000 0.217 283 A C 2.334 179.860 177.584 -0.097 0.000 1.181 283 A CA 2.103 54.045 52.037 -0.158 0.000 0.623 283 A CB -1.167 17.855 19.000 0.037 0.000 0.818 283 A HN 0.607 nan 8.150 nan 0.000 0.443 284 I N -0.722 119.761 120.570 -0.145 0.000 2.163 284 I HA -0.193 3.978 4.170 0.001 0.000 0.240 284 I C 2.613 178.723 176.117 -0.011 0.000 1.081 284 I CA 1.284 62.466 61.300 -0.196 0.000 1.353 284 I CB -0.372 37.424 38.000 -0.340 0.000 1.054 284 I HN 0.287 nan 8.210 nan 0.000 0.407 285 E N 0.476 120.673 120.200 -0.004 0.000 2.028 285 E HA -0.178 4.173 4.350 0.001 0.000 0.191 285 E C 2.259 178.893 176.600 0.056 0.000 0.988 285 E CA 1.333 57.783 56.400 0.084 0.000 0.799 285 E CB -0.200 29.631 29.700 0.218 0.000 0.755 285 E HN 0.369 nan 8.360 nan 0.000 0.447 286 M N -0.236 119.351 119.600 -0.021 0.000 2.254 286 M HA -0.014 4.467 4.480 0.001 0.000 0.265 286 M C 2.254 178.473 176.300 -0.134 0.000 1.066 286 M CA 1.042 56.264 55.300 -0.130 0.000 1.123 286 M CB -1.112 31.293 32.600 -0.326 0.000 1.388 286 M HN 0.090 nan 8.290 nan 0.000 0.425 287 G N -0.953 107.800 108.800 -0.079 0.000 2.484 287 G HA2 -0.101 3.860 3.960 0.001 0.000 0.218 287 G HA3 -0.101 3.860 3.960 0.001 0.000 0.218 287 G C 1.609 176.511 174.900 0.004 0.000 1.130 287 G CA 0.753 45.847 45.100 -0.010 0.000 0.784 287 G HN 0.473 nan 8.290 nan 0.000 0.543 288 S N -0.084 115.650 115.700 0.057 0.000 2.503 288 S HA 0.516 4.987 4.470 0.001 0.000 0.215 288 S C 1.200 175.791 174.600 -0.014 0.000 1.003 288 S CA 0.143 58.364 58.200 0.034 0.000 0.910 288 S CB 0.392 63.646 63.200 0.090 0.000 0.790 288 S HN 0.580 nan 8.310 nan 0.000 0.514 289 A N 2.050 124.854 122.820 -0.027 0.000 2.286 289 A HA 0.669 4.990 4.320 0.001 0.000 0.286 289 A C 0.422 177.964 177.584 -0.069 0.000 1.097 289 A CA -0.355 51.658 52.037 -0.041 0.000 0.821 289 A CB 0.449 19.424 19.000 -0.041 0.000 1.076 289 A HN 0.322 nan 8.150 nan 0.000 0.490 290 T N -2.051 112.465 114.554 -0.064 0.000 2.883 290 T HA 0.792 5.143 4.350 0.001 0.000 0.301 290 T C 0.159 174.824 174.700 -0.058 0.000 1.158 290 T CA 0.109 62.166 62.100 -0.072 0.000 1.007 290 T CB 1.107 69.933 68.868 -0.070 0.000 1.186 290 T HN 2.676 nan 8.240 nan 0.000 0.499 291 G N 0.000 108.766 108.800 -0.056 0.000 5.446 291 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 291 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 291 G CA 0.000 45.075 45.100 -0.041 0.000 0.502 291 G HN 0.000 nan 8.290 nan 0.000 0.925