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 3cdk_1_A DATA FIRST_RESID 4 DATA SEQUENCE GKVLSSSKEA AKLIHDGDTL IAGGFGLCGI PEQLILSIRD QGVKDLTVVS DATA SEQUENCE NNCGVDDWGL GLLLANKQIK KMIASYVGEN KIFERQFLSG ELEVELVPQG DATA SEQUENCE TLAERIRAGG AGIPGFYTAT GVGTSIAEGK EHKTFGGRTY VLERGITGDV DATA SEQUENCE AIVKAWKADT MGNLIFRKTA RNFNPIAAMA GKITIAEAEE IVEAGELDPD DATA SEQUENCE HIHTPGIYVQ HVVLGASQEK RIEKRTVQQ 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.971 3.960 0.019 0.000 0.244 4 G C 0.000 174.902 174.900 0.003 0.000 0.946 4 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 5 K N 0.130 120.529 120.400 -0.001 0.000 2.404 5 K HA 0.289 4.620 4.320 0.019 0.000 0.194 5 K C 0.509 177.145 176.600 0.060 0.000 1.023 5 K CA 0.155 56.443 56.287 0.002 0.000 1.094 5 K CB 1.079 33.561 32.500 -0.031 0.000 0.841 5 K HN 0.158 nan 8.250 nan 0.000 0.523 6 V N 2.878 122.820 119.914 0.046 0.000 2.508 6 V HA 0.053 4.184 4.120 0.019 0.000 0.281 6 V C 0.115 176.245 176.094 0.060 0.000 1.041 6 V CA -0.337 61.993 62.300 0.049 0.000 1.016 6 V CB 0.549 32.386 31.823 0.022 0.000 0.984 6 V HN 0.023 nan 8.190 nan 0.000 0.478 7 L N 3.897 125.156 121.223 0.061 0.000 2.322 7 L HA 0.408 4.759 4.340 0.019 0.000 0.279 7 L C 1.380 178.263 176.870 0.021 0.000 1.036 7 L CA 0.632 55.495 54.840 0.037 0.000 0.807 7 L CB 1.624 43.693 42.059 0.016 0.000 1.226 7 L HN 0.624 nan 8.230 nan 0.000 0.433 8 S N 0.144 115.852 115.700 0.013 0.000 2.382 8 S HA -0.054 4.428 4.470 0.019 0.000 0.228 8 S C 0.576 175.182 174.600 0.009 0.000 1.027 8 S CA 1.275 59.481 58.200 0.010 0.000 0.991 8 S CB -0.077 63.128 63.200 0.008 0.000 0.823 8 S HN 0.819 nan 8.310 nan 0.000 0.469 9 S N -1.403 114.300 115.700 0.005 0.000 2.570 9 S HA 0.463 4.944 4.470 0.019 0.000 0.270 9 S C 0.476 175.076 174.600 0.000 0.000 1.149 9 S CA -0.602 57.601 58.200 0.006 0.000 0.837 9 S CB 1.523 64.726 63.200 0.005 0.000 1.124 9 S HN -0.064 nan 8.310 nan 0.000 0.465 10 S N 1.016 116.719 115.700 0.006 0.000 2.400 10 S HA -0.095 4.387 4.470 0.019 0.000 0.232 10 S C 1.672 176.267 174.600 -0.008 0.000 1.025 10 S CA 1.454 59.654 58.200 0.001 0.000 0.993 10 S CB -0.449 62.755 63.200 0.007 0.000 0.808 10 S HN 0.722 nan 8.310 nan 0.000 0.478 11 K N 1.036 121.432 120.400 -0.006 0.000 1.991 11 K HA -0.155 4.176 4.320 0.019 0.000 0.212 11 K C 2.262 178.849 176.600 -0.021 0.000 1.049 11 K CA 1.566 57.846 56.287 -0.011 0.000 0.932 11 K CB -0.187 32.309 32.500 -0.007 0.000 0.717 11 K HN 0.357 nan 8.250 nan 0.000 0.441 12 E N -0.140 120.047 120.200 -0.023 0.000 2.021 12 E HA -0.270 4.091 4.350 0.019 0.000 0.200 12 E C 1.986 178.552 176.600 -0.057 0.000 1.015 12 E CA 1.366 57.744 56.400 -0.036 0.000 0.824 12 E CB -0.200 29.479 29.700 -0.036 0.000 0.762 12 E HN 0.389 nan 8.360 nan 0.000 0.454 13 A N 1.116 123.898 122.820 -0.063 0.000 1.958 13 A HA -0.258 4.073 4.320 0.019 0.000 0.221 13 A C 2.317 179.870 177.584 -0.053 0.000 1.178 13 A CA 2.146 54.133 52.037 -0.083 0.000 0.642 13 A CB -0.744 18.228 19.000 -0.046 0.000 0.816 13 A HN 0.368 nan 8.150 nan 0.000 0.453 14 A N -0.500 122.300 122.820 -0.032 0.000 2.067 14 A HA -0.083 4.249 4.320 0.019 0.000 0.219 14 A C 1.958 179.531 177.584 -0.019 0.000 1.158 14 A CA 1.472 53.496 52.037 -0.021 0.000 0.661 14 A CB -0.372 18.616 19.000 -0.021 0.000 0.801 14 A HN 0.597 nan 8.150 nan 0.000 0.452 15 K N -0.141 120.243 120.400 -0.026 0.000 2.360 15 K HA 0.017 4.348 4.320 0.019 0.000 0.201 15 K C 1.093 177.722 176.600 0.049 0.000 1.046 15 K CA 0.816 57.090 56.287 -0.022 0.000 0.945 15 K CB -0.303 32.183 32.500 -0.023 0.000 0.750 15 K HN 0.488 nan 8.250 nan 0.000 0.464 16 L N 1.343 122.592 121.223 0.043 0.000 2.610 16 L HA 0.037 4.388 4.340 0.019 0.000 0.232 16 L C 0.302 177.262 176.870 0.149 0.000 1.149 16 L CA 0.022 54.914 54.840 0.087 0.000 0.872 16 L CB -0.136 41.918 42.059 -0.008 0.000 0.992 16 L HN 0.080 nan 8.230 nan 0.000 0.447 17 I N -1.217 119.433 120.570 0.134 0.000 2.359 17 I HA 0.307 4.488 4.170 0.019 0.000 0.294 17 I C 0.105 176.334 176.117 0.185 0.000 0.987 17 I CA -0.294 61.087 61.300 0.134 0.000 1.225 17 I CB 0.722 38.754 38.000 0.053 0.000 1.366 17 I HN 0.027 nan 8.210 nan 0.000 0.466 18 H N 2.912 121.982 119.070 0.000 0.000 2.731 18 H HA 0.262 4.829 4.556 0.019 0.000 0.368 18 H C -0.833 174.495 175.328 -0.000 0.000 1.168 18 H CA -0.967 55.081 56.048 -0.000 0.000 1.181 18 H CB 2.187 31.951 29.762 0.002 0.000 1.743 18 H HN 0.466 nan 8.280 nan 0.000 0.547 19 D N 0.708 121.160 120.400 0.086 0.000 2.570 19 D HA 0.050 4.701 4.640 0.019 0.000 0.243 19 D C 1.292 177.630 176.300 0.062 0.000 1.171 19 D CA 1.825 55.854 54.000 0.048 0.000 0.879 19 D CB 0.172 40.988 40.800 0.026 0.000 1.143 19 D HN 0.921 nan 8.370 nan 0.000 0.511 20 G N 2.297 111.121 108.800 0.041 0.000 2.176 20 G HA2 -0.238 3.734 3.960 0.019 0.000 0.232 20 G HA3 -0.238 3.734 3.960 0.019 0.000 0.232 20 G C 0.097 175.017 174.900 0.034 0.000 0.986 20 G CA -0.232 44.888 45.100 0.033 0.000 0.643 20 G HN 0.506 nan 8.290 nan 0.000 0.522 21 D N 0.813 121.240 120.400 0.045 0.000 2.360 21 D HA 0.512 5.163 4.640 0.019 0.000 0.242 21 D C 0.637 176.954 176.300 0.029 0.000 1.184 21 D CA 0.553 54.577 54.000 0.040 0.000 0.930 21 D CB 0.640 41.472 40.800 0.053 0.000 1.161 21 D HN 0.042 nan 8.370 nan 0.000 0.447 22 T N 1.320 115.889 114.554 0.027 0.000 2.728 22 T HA 0.350 4.712 4.350 0.019 0.000 0.296 22 T C 0.114 174.830 174.700 0.027 0.000 0.940 22 T CA -0.454 61.660 62.100 0.024 0.000 1.013 22 T CB 0.203 69.086 68.868 0.024 0.000 0.912 22 T HN 0.082 nan 8.240 nan 0.000 0.484 23 L N 4.878 126.114 121.223 0.022 0.000 2.307 23 L HA 0.620 4.972 4.340 0.019 0.000 0.284 23 L C -0.784 176.098 176.870 0.019 0.000 1.023 23 L CA -0.885 53.968 54.840 0.022 0.000 0.810 23 L CB 1.030 43.096 42.059 0.013 0.000 1.231 23 L HN 0.593 nan 8.230 nan 0.000 0.423 24 I N 3.957 124.543 120.570 0.027 0.000 2.436 24 I HA 0.587 4.768 4.170 0.019 0.000 0.289 24 I C -0.322 175.813 176.117 0.030 0.000 1.010 24 I CA -0.392 60.925 61.300 0.030 0.000 1.098 24 I CB 1.988 40.014 38.000 0.044 0.000 1.266 24 I HN 0.588 nan 8.210 nan 0.000 0.434 25 A N 4.399 127.228 122.820 0.015 0.000 2.374 25 A HA 0.808 5.139 4.320 0.019 0.000 0.305 25 A C 0.037 177.628 177.584 0.012 0.000 1.053 25 A CA -0.520 51.521 52.037 0.008 0.000 0.726 25 A CB 1.251 20.237 19.000 -0.024 0.000 1.229 25 A HN 0.796 nan 8.150 nan 0.000 0.431 26 G N 0.316 109.145 108.800 0.048 0.000 2.683 26 G HA2 0.632 4.603 3.960 0.019 0.000 0.260 26 G HA3 0.632 4.603 3.960 0.019 0.000 0.260 26 G C 0.640 175.565 174.900 0.043 0.000 1.238 26 G CA 0.339 45.487 45.100 0.079 0.000 0.934 26 G HN 2.375 nan 8.290 nan 0.000 0.534 27 G N -2.243 106.609 108.800 0.088 0.000 2.784 27 G HA2 0.324 4.296 3.960 0.019 0.000 0.686 27 G HA3 0.324 4.296 3.960 0.019 0.000 0.686 27 G C -1.009 173.956 174.900 0.108 0.000 1.156 27 G CA -0.205 44.947 45.100 0.086 0.000 0.757 27 G HN 1.401 nan 8.290 nan 0.000 0.642 28 F N 3.088 123.034 119.950 -0.008 0.000 2.499 28 F HA 0.624 5.165 4.527 0.022 0.000 0.333 28 F C 1.049 176.847 175.800 -0.004 0.000 1.138 28 F CA 1.361 59.351 58.000 -0.017 0.000 0.945 28 F CB 1.240 40.266 39.000 0.043 0.000 1.181 28 F HN 2.260 nan 8.300 nan 0.000 0.435 29 G N 5.051 113.613 108.800 -0.398 0.000 2.561 29 G HA2 -0.317 3.655 3.960 0.019 0.000 0.289 29 G HA3 -0.317 3.655 3.960 0.019 0.000 0.289 29 G C 0.347 175.214 174.900 -0.055 0.000 1.169 29 G CA 0.260 45.225 45.100 -0.226 0.000 0.980 29 G HN 0.780 nan 8.290 nan 0.000 0.550 30 L N 0.460 121.701 121.223 0.031 0.000 2.700 30 L HA 0.338 4.690 4.340 0.019 0.000 0.234 30 L C 1.102 178.040 176.870 0.114 0.000 1.156 30 L CA -0.147 54.748 54.840 0.092 0.000 0.946 30 L CB 0.414 42.571 42.059 0.165 0.000 1.216 30 L HN 0.537 nan 8.230 nan 0.000 0.493 31 C N 1.037 120.409 119.300 0.120 0.000 2.273 31 C HA 0.631 5.102 4.460 0.019 0.000 0.328 31 C C 1.477 176.549 174.990 0.138 0.000 1.275 31 C CA 0.199 59.300 59.018 0.139 0.000 1.704 31 C CB -0.413 27.430 27.740 0.172 0.000 2.326 31 C HN 0.819 nan 8.230 nan 0.000 0.517 32 G N 5.548 114.425 108.800 0.129 0.000 2.182 32 G HA2 -0.196 3.775 3.960 0.019 0.000 0.248 32 G HA3 -0.196 3.775 3.960 0.019 0.000 0.248 32 G C -0.265 174.706 174.900 0.118 0.000 1.042 32 G CA 0.532 45.716 45.100 0.141 0.000 0.775 32 G HN 1.522 nan 8.290 nan 0.000 0.501 33 I N -2.266 118.355 120.570 0.085 0.000 2.437 33 I HA 0.720 4.901 4.170 0.019 0.000 0.298 33 I C -2.112 174.014 176.117 0.014 0.000 0.984 33 I CA -3.349 57.967 61.300 0.027 0.000 1.214 33 I CB 1.866 39.846 38.000 -0.034 0.000 1.365 33 I HN -0.120 nan 8.210 nan 0.000 0.469 34 P HA 0.096 nan 4.420 nan 0.000 0.230 34 P C 0.262 177.497 177.300 -0.108 0.000 1.791 34 P CA -0.132 62.959 63.100 -0.015 0.000 1.020 34 P CB -0.102 31.602 31.700 0.006 0.000 1.977 35 E N 0.702 120.809 120.200 -0.156 0.000 2.114 35 E HA -0.275 4.087 4.350 0.019 0.000 0.199 35 E C 1.269 177.719 176.600 -0.251 0.000 1.008 35 E CA 1.041 57.222 56.400 -0.365 0.000 0.810 35 E CB -0.531 29.007 29.700 -0.270 0.000 0.739 35 E HN 0.242 nan 8.360 nan 0.000 0.456 36 Q N 0.231 119.987 119.800 -0.074 0.000 2.049 36 Q HA -0.040 4.311 4.340 0.019 0.000 0.198 36 Q C 2.359 178.336 176.000 -0.038 0.000 0.971 36 Q CA 0.720 56.511 55.803 -0.020 0.000 0.833 36 Q CB -0.267 28.491 28.738 0.033 0.000 0.896 36 Q HN 0.305 nan 8.270 nan 0.000 0.434 37 L N 0.753 121.954 121.223 -0.036 0.000 2.042 37 L HA -0.149 4.203 4.340 0.019 0.000 0.210 37 L C 2.331 179.168 176.870 -0.056 0.000 1.076 37 L CA 1.417 56.239 54.840 -0.030 0.000 0.749 37 L CB -1.206 40.845 42.059 -0.012 0.000 0.893 37 L HN 0.206 nan 8.230 nan 0.000 0.432 38 I N -1.123 119.385 120.570 -0.104 0.000 2.226 38 I HA -0.330 3.851 4.170 0.019 0.000 0.245 38 I C 2.440 178.490 176.117 -0.112 0.000 1.100 38 I CA 0.907 62.130 61.300 -0.127 0.000 1.374 38 I CB -0.141 37.732 38.000 -0.212 0.000 1.057 38 I HN 0.206 nan 8.210 nan 0.000 0.413 39 L N -0.354 120.796 121.223 -0.121 0.000 2.046 39 L HA -0.211 4.140 4.340 0.019 0.000 0.208 39 L C 2.675 179.533 176.870 -0.021 0.000 1.077 39 L CA 1.255 56.062 54.840 -0.054 0.000 0.747 39 L CB -0.496 41.560 42.059 -0.006 0.000 0.896 39 L HN 0.157 nan 8.230 nan 0.000 0.432 40 S N -0.147 115.540 115.700 -0.021 0.000 2.382 40 S HA -0.123 4.358 4.470 0.019 0.000 0.228 40 S C 1.928 176.517 174.600 -0.018 0.000 1.027 40 S CA 1.126 59.319 58.200 -0.012 0.000 0.991 40 S CB -0.198 62.995 63.200 -0.010 0.000 0.823 40 S HN 0.251 nan 8.310 nan 0.000 0.469 41 I N 1.248 121.802 120.570 -0.027 0.000 2.163 41 I HA -0.237 3.945 4.170 0.019 0.000 0.240 41 I C 2.595 178.698 176.117 -0.024 0.000 1.081 41 I CA 1.419 62.703 61.300 -0.026 0.000 1.353 41 I CB -0.327 37.656 38.000 -0.028 0.000 1.054 41 I HN 0.251 nan 8.210 nan 0.000 0.407 42 R N 1.467 121.952 120.500 -0.025 0.000 2.143 42 R HA -0.284 4.067 4.340 0.019 0.000 0.239 42 R C 1.824 178.119 176.300 -0.008 0.000 1.126 42 R CA 2.710 58.802 56.100 -0.014 0.000 0.927 42 R CB -0.699 29.598 30.300 -0.005 0.000 0.860 42 R HN 0.262 nan 8.270 nan 0.000 0.433 43 D N 0.203 120.601 120.400 -0.004 0.000 2.158 43 D HA -0.177 4.474 4.640 0.019 0.000 0.197 43 D C 2.081 178.374 176.300 -0.012 0.000 0.995 43 D CA 1.343 55.342 54.000 -0.002 0.000 0.846 43 D CB -0.318 40.484 40.800 0.003 0.000 0.941 43 D HN 0.447 nan 8.370 nan 0.000 0.456 44 Q N -0.436 119.352 119.800 -0.019 0.000 2.226 44 Q HA -0.019 4.332 4.340 0.019 0.000 0.204 44 Q C 1.836 177.816 176.000 -0.033 0.000 0.975 44 Q CA 1.265 57.049 55.803 -0.031 0.000 0.866 44 Q CB -0.317 28.397 28.738 -0.040 0.000 0.915 44 Q HN 0.430 nan 8.270 nan 0.000 0.440 45 G N 0.428 109.212 108.800 -0.026 0.000 2.179 45 G HA2 -0.289 3.682 3.960 0.019 0.000 0.260 45 G HA3 -0.289 3.682 3.960 0.019 0.000 0.260 45 G C 0.350 175.233 174.900 -0.028 0.000 0.977 45 G CA 0.317 45.403 45.100 -0.024 0.000 0.641 45 G HN 0.322 nan 8.290 nan 0.000 0.533 46 V N 1.077 120.970 119.914 -0.035 0.000 2.953 46 V HA 0.397 4.529 4.120 0.019 0.000 0.304 46 V C 0.904 176.986 176.094 -0.020 0.000 1.138 46 V CA 1.694 63.973 62.300 -0.035 0.000 1.266 46 V CB 0.691 32.493 31.823 -0.034 0.000 0.923 46 V HN 0.839 nan 8.190 nan 0.000 0.505 47 K N 2.814 123.206 120.400 -0.014 0.000 2.263 47 K HA 0.572 4.904 4.320 0.019 0.000 0.249 47 K C -0.308 176.291 176.600 -0.002 0.000 1.076 47 K CA -0.696 55.585 56.287 -0.010 0.000 0.884 47 K CB 0.792 33.284 32.500 -0.012 0.000 1.394 47 K HN 0.398 nan 8.250 nan 0.000 0.476 48 D N 0.618 121.015 120.400 -0.005 0.000 2.702 48 D HA -0.184 4.468 4.640 0.019 0.000 0.233 48 D C -0.520 175.782 176.300 0.003 0.000 1.164 48 D CA 0.907 54.906 54.000 -0.002 0.000 0.638 48 D CB -1.248 39.553 40.800 0.002 0.000 1.041 48 D HN 0.391 nan 8.370 nan 0.000 0.422 49 L N 0.137 121.360 121.223 0.000 0.000 2.426 49 L HA 0.138 4.490 4.340 0.019 0.000 0.271 49 L C 1.192 178.062 176.870 0.001 0.000 1.169 49 L CA 0.361 55.203 54.840 0.004 0.000 0.836 49 L CB 0.668 42.727 42.059 0.001 0.000 1.112 49 L HN -0.147 nan 8.230 nan 0.000 0.465 50 T N 2.917 117.475 114.554 0.008 0.000 2.733 50 T HA 0.368 4.729 4.350 0.019 0.000 0.294 50 T C -0.286 174.419 174.700 0.008 0.000 0.956 50 T CA -0.356 61.749 62.100 0.008 0.000 0.987 50 T CB 1.262 70.138 68.868 0.013 0.000 0.920 50 T HN 0.412 nan 8.240 nan 0.000 0.470 51 V N 3.732 123.648 119.914 0.005 0.000 2.495 51 V HA 0.784 4.915 4.120 0.019 0.000 0.298 51 V C -0.753 175.341 176.094 0.001 0.000 1.031 51 V CA -0.651 61.650 62.300 0.002 0.000 0.871 51 V CB 1.687 33.507 31.823 -0.005 0.000 0.988 51 V HN 0.561 nan 8.190 nan 0.000 0.432 52 V N 5.695 125.608 119.914 -0.001 0.000 2.334 52 V HA 0.783 4.915 4.120 0.019 0.000 0.281 52 V C 0.180 176.252 176.094 -0.036 0.000 1.016 52 V CA 0.216 62.512 62.300 -0.005 0.000 0.832 52 V CB 0.759 32.594 31.823 0.020 0.000 0.999 52 V HN 1.144 nan 8.190 nan 0.000 0.439 53 S N 3.105 118.752 115.700 -0.088 0.000 2.565 53 S HA 0.348 4.829 4.470 0.019 0.000 0.269 53 S C 0.652 175.077 174.600 -0.292 0.000 1.153 53 S CA -0.485 57.609 58.200 -0.178 0.000 0.835 53 S CB 1.847 64.968 63.200 -0.132 0.000 1.122 53 S HN 0.728 nan 8.310 nan 0.000 0.462 54 N N 2.189 120.556 118.700 -0.555 0.000 2.036 54 N HA -0.050 4.702 4.740 0.019 0.000 0.195 54 N C 0.244 175.571 175.510 -0.305 0.000 1.037 54 N CA 2.175 54.872 53.050 -0.588 0.000 0.855 54 N CB -0.216 37.772 38.487 -0.830 0.000 1.033 54 N HN 0.654 nan 8.380 nan 0.000 0.423 55 N N -2.296 116.237 118.700 -0.279 0.000 2.890 55 N HA 0.304 5.056 4.740 0.019 0.000 0.317 55 N C -1.348 174.061 175.510 -0.169 0.000 1.355 55 N CA -0.719 52.198 53.050 -0.222 0.000 0.803 55 N CB 1.195 39.538 38.487 -0.241 0.000 1.465 55 N HN 0.035 nan 8.380 nan 0.000 0.591 56 C N 1.262 120.468 119.300 -0.157 0.000 2.429 56 C HA 0.639 5.111 4.460 0.019 0.000 0.310 56 C C 1.238 176.189 174.990 -0.066 0.000 1.446 56 C CA 0.357 59.331 59.018 -0.073 0.000 1.747 56 C CB -2.426 25.323 27.740 0.015 0.000 2.865 56 C HN 0.879 nan 8.230 nan 0.000 0.554 57 G N 1.871 110.619 108.800 -0.087 0.000 2.627 57 G HA2 -0.201 3.771 3.960 0.019 0.000 0.312 57 G HA3 -0.201 3.771 3.960 0.019 0.000 0.312 57 G C 0.031 174.918 174.900 -0.022 0.000 1.299 57 G CA 0.823 45.891 45.100 -0.053 0.000 0.989 57 G HN 1.616 nan 8.290 nan 0.000 0.547 58 V N -2.475 117.463 119.914 0.040 0.000 3.166 58 V HA 0.731 4.863 4.120 0.019 0.000 0.317 58 V C 1.198 177.334 176.094 0.070 0.000 1.136 58 V CA 0.595 62.925 62.300 0.050 0.000 1.035 58 V CB 1.716 33.589 31.823 0.083 0.000 1.110 58 V HN 0.921 nan 8.190 nan 0.000 0.450 59 D N -1.243 119.194 120.400 0.063 0.000 2.378 59 D HA -0.093 4.559 4.640 0.019 0.000 0.222 59 D C 1.047 177.402 176.300 0.093 0.000 0.980 59 D CA 0.991 55.034 54.000 0.072 0.000 0.907 59 D CB -0.078 40.758 40.800 0.059 0.000 0.899 59 D HN 0.625 nan 8.370 nan 0.000 0.527 60 D N -1.510 118.966 120.400 0.125 0.000 2.379 60 D HA 0.078 4.729 4.640 0.019 0.000 0.218 60 D C -0.366 176.136 176.300 0.337 0.000 1.006 60 D CA 0.219 54.319 54.000 0.166 0.000 0.893 60 D CB 0.766 41.637 40.800 0.119 0.000 1.019 60 D HN 0.248 nan 8.370 nan 0.000 0.503 61 W N -0.058 121.244 121.300 0.003 0.000 3.118 61 W HA 0.363 5.033 4.660 0.016 0.000 0.328 61 W C 0.496 177.017 176.519 0.003 0.000 1.239 61 W CA -0.108 57.240 57.345 0.005 0.000 1.176 61 W CB 1.336 30.800 29.460 0.006 0.000 1.433 61 W HN 0.193 nan 8.180 nan 0.000 0.562 62 G N 2.261 110.753 108.800 -0.513 0.000 2.566 62 G HA2 -0.366 3.605 3.960 0.019 0.000 0.280 62 G HA3 -0.366 3.605 3.960 0.019 0.000 0.280 62 G C 0.077 174.857 174.900 -0.201 0.000 1.225 62 G CA 0.405 45.263 45.100 -0.403 0.000 0.966 62 G HN 0.589 nan 8.290 nan 0.000 0.560 63 L N 2.603 123.750 121.223 -0.127 0.000 2.353 63 L HA 0.101 4.452 4.340 0.019 0.000 0.220 63 L C 3.158 180.012 176.870 -0.027 0.000 1.133 63 L CA 2.602 57.397 54.840 -0.075 0.000 0.798 63 L CB -1.440 40.584 42.059 -0.058 0.000 0.922 63 L HN 0.923 nan 8.230 nan 0.000 0.445 64 G N -1.253 107.544 108.800 -0.007 0.000 2.470 64 G HA2 -0.193 3.779 3.960 0.019 0.000 0.220 64 G HA3 -0.193 3.779 3.960 0.019 0.000 0.220 64 G C 1.675 176.597 174.900 0.036 0.000 1.121 64 G CA 0.359 45.482 45.100 0.039 0.000 0.766 64 G HN 0.386 nan 8.290 nan 0.000 0.553 65 L N -0.491 120.741 121.223 0.016 0.000 2.141 65 L HA -0.000 4.351 4.340 0.019 0.000 0.209 65 L C 2.632 179.503 176.870 0.003 0.000 1.094 65 L CA 0.143 54.996 54.840 0.021 0.000 0.763 65 L CB -0.274 41.789 42.059 0.006 0.000 0.908 65 L HN 0.135 nan 8.230 nan 0.000 0.437 66 L N -0.776 120.438 121.223 -0.014 0.000 2.072 66 L HA -0.172 4.179 4.340 0.019 0.000 0.205 66 L C 2.312 179.175 176.870 -0.011 0.000 1.079 66 L CA 1.406 56.237 54.840 -0.016 0.000 0.752 66 L CB -0.934 41.111 42.059 -0.024 0.000 0.906 66 L HN 0.154 nan 8.230 nan 0.000 0.436 67 L N -0.064 121.157 121.223 -0.003 0.000 2.012 67 L HA -0.148 4.204 4.340 0.019 0.000 0.210 67 L C 2.347 179.211 176.870 -0.010 0.000 1.073 67 L CA 2.162 56.995 54.840 -0.012 0.000 0.748 67 L CB -0.823 41.250 42.059 0.023 0.000 0.891 67 L HN 0.185 nan 8.230 nan 0.000 0.431 68 A N -1.170 121.656 122.820 0.011 0.000 2.167 68 A HA -0.096 4.236 4.320 0.019 0.000 0.214 68 A C 1.912 179.500 177.584 0.007 0.000 1.151 68 A CA 1.137 53.182 52.037 0.014 0.000 0.735 68 A CB -0.756 18.264 19.000 0.032 0.000 0.802 68 A HN 0.580 nan 8.150 nan 0.000 0.467 69 N N -0.293 118.409 118.700 0.003 0.000 2.336 69 N HA 0.013 4.765 4.740 0.019 0.000 0.189 69 N C -0.145 175.359 175.510 -0.009 0.000 1.113 69 N CA 0.267 53.317 53.050 -0.001 0.000 0.858 69 N CB -0.415 38.073 38.487 0.001 0.000 0.970 69 N HN 0.366 nan 8.380 nan 0.000 0.471 70 K N -0.764 119.626 120.400 -0.016 0.000 3.251 70 K HA -0.200 4.131 4.320 0.019 0.000 0.282 70 K C 0.262 176.848 176.600 -0.025 0.000 1.201 70 K CA 0.588 56.861 56.287 -0.024 0.000 0.827 70 K CB -1.543 30.944 32.500 -0.021 0.000 1.286 70 K HN 0.398 nan 8.250 nan 0.000 0.503 71 Q N -0.155 119.631 119.800 -0.023 0.000 2.392 71 Q HA 0.190 4.542 4.340 0.019 0.000 0.203 71 Q C 0.183 176.171 176.000 -0.021 0.000 0.917 71 Q CA 0.405 56.196 55.803 -0.020 0.000 0.939 71 Q CB 0.455 29.182 28.738 -0.017 0.000 1.063 71 Q HN 0.429 nan 8.270 nan 0.000 0.516 72 I N 0.689 121.240 120.570 -0.031 0.000 2.362 72 I HA 0.153 4.335 4.170 0.019 0.000 0.289 72 I C 0.772 176.865 176.117 -0.039 0.000 0.994 72 I CA -0.359 60.921 61.300 -0.033 0.000 1.158 72 I CB 1.652 39.627 38.000 -0.042 0.000 1.315 72 I HN -0.104 nan 8.210 nan 0.000 0.451 73 K N 5.428 125.813 120.400 -0.025 0.000 2.076 73 K HA 0.107 4.439 4.320 0.019 0.000 0.204 73 K C 0.534 177.122 176.600 -0.021 0.000 1.051 73 K CA 1.174 57.448 56.287 -0.021 0.000 0.949 73 K CB 0.415 32.910 32.500 -0.009 0.000 0.726 73 K HN 0.530 nan 8.250 nan 0.000 0.443 74 K N 0.226 120.616 120.400 -0.016 0.000 2.525 74 K HA 0.201 4.532 4.320 0.019 0.000 0.254 74 K C -1.537 175.060 176.600 -0.004 0.000 0.934 74 K CA -0.696 55.587 56.287 -0.007 0.000 0.802 74 K CB 1.421 33.926 32.500 0.009 0.000 1.295 74 K HN -0.034 nan 8.250 nan 0.000 0.433 75 M N 4.931 124.534 119.600 0.004 0.000 2.294 75 M HA 0.448 4.939 4.480 0.019 0.000 0.335 75 M C -0.831 175.489 176.300 0.032 0.000 1.079 75 M CA -0.675 54.645 55.300 0.032 0.000 0.982 75 M CB 1.150 33.811 32.600 0.102 0.000 1.651 75 M HN 0.541 nan 8.290 nan 0.000 0.437 76 I N 2.967 123.548 120.570 0.019 0.000 2.382 76 I HA 0.705 4.887 4.170 0.019 0.000 0.286 76 I C -0.245 175.866 176.117 -0.009 0.000 1.002 76 I CA -0.300 61.008 61.300 0.012 0.000 1.135 76 I CB 1.606 39.617 38.000 0.019 0.000 1.288 76 I HN 0.767 nan 8.210 nan 0.000 0.448 77 A N 3.620 126.429 122.820 -0.019 0.000 2.599 77 A HA 0.605 4.936 4.320 0.019 0.000 0.290 77 A C 0.234 177.796 177.584 -0.037 0.000 1.101 77 A CA -0.037 51.965 52.037 -0.058 0.000 0.674 77 A CB 1.471 20.418 19.000 -0.088 0.000 1.277 77 A HN 0.627 nan 8.150 nan 0.000 0.419 78 S N -0.995 114.685 115.700 -0.033 0.000 2.483 78 S HA 0.351 4.832 4.470 0.019 0.000 0.221 78 S C 0.039 174.685 174.600 0.077 0.000 1.030 78 S CA 0.852 59.071 58.200 0.032 0.000 0.925 78 S CB -0.017 63.227 63.200 0.074 0.000 0.795 78 S HN 1.575 nan 8.310 nan 0.000 0.511 79 Y N -0.625 119.576 120.300 -0.164 0.000 2.436 79 Y HA 0.536 5.102 4.550 0.026 0.000 0.327 79 Y C 0.072 175.794 175.900 -0.297 0.000 1.138 79 Y CA -1.068 56.909 58.100 -0.205 0.000 1.042 79 Y CB 1.378 39.730 38.460 -0.181 0.000 1.302 79 Y HN -0.173 nan 8.280 nan 0.000 0.439 80 V N 4.123 123.419 119.914 -1.030 0.000 2.521 80 V HA 0.397 4.528 4.120 0.019 0.000 0.239 80 V C 1.180 176.711 176.094 -0.938 0.000 1.053 80 V CA 1.777 63.461 62.300 -1.027 0.000 1.073 80 V CB -0.086 30.971 31.823 -1.276 0.000 0.746 80 V HN 1.343 nan 8.190 nan 0.000 0.476 81 G N 0.970 109.075 108.800 -1.160 0.000 2.503 81 G HA2 -0.173 3.798 3.960 0.019 0.000 0.235 81 G HA3 -0.173 3.798 3.960 0.019 0.000 0.235 81 G C -0.098 174.594 174.900 -0.347 0.000 1.179 81 G CA 0.121 44.861 45.100 -0.599 0.000 0.944 81 G HN 0.482 nan 8.290 nan 0.000 0.580 82 E N 1.296 121.385 120.200 -0.185 0.000 2.830 82 E HA 0.197 4.559 4.350 0.019 0.000 0.225 82 E C -0.055 176.509 176.600 -0.060 0.000 1.109 82 E CA -0.584 55.758 56.400 -0.097 0.000 1.392 82 E CB 0.256 29.931 29.700 -0.041 0.000 1.349 82 E HN 0.362 nan 8.360 nan 0.000 0.433 83 N N 2.270 120.924 118.700 -0.077 0.000 2.469 83 N HA 0.037 4.788 4.740 0.019 0.000 0.239 83 N C 0.516 176.081 175.510 0.091 0.000 1.053 83 N CA -0.022 53.047 53.050 0.031 0.000 0.937 83 N CB 1.031 39.577 38.487 0.099 0.000 1.163 83 N HN 0.146 nan 8.380 nan 0.000 0.509 84 K N 2.944 123.382 120.400 0.064 0.000 2.432 84 K HA 0.043 4.375 4.320 0.019 0.000 0.196 84 K C 1.257 177.902 176.600 0.075 0.000 1.038 84 K CA 0.474 56.800 56.287 0.065 0.000 0.986 84 K CB 0.317 32.842 32.500 0.040 0.000 0.782 84 K HN 0.501 nan 8.250 nan 0.000 0.485 85 I N -0.053 120.566 120.570 0.082 0.000 2.500 85 I HA -0.187 3.994 4.170 0.019 0.000 0.252 85 I C 1.836 178.001 176.117 0.080 0.000 1.142 85 I CA 0.773 62.112 61.300 0.065 0.000 1.451 85 I CB -0.183 37.849 38.000 0.054 0.000 1.093 85 I HN 0.062 nan 8.210 nan 0.000 0.430 86 F N 1.524 121.468 119.950 -0.010 0.000 2.102 86 F HA -0.191 4.339 4.527 0.005 0.000 0.298 86 F C 2.564 178.382 175.800 0.031 0.000 1.105 86 F CA 1.640 59.632 58.000 -0.014 0.000 1.239 86 F CB -0.064 38.898 39.000 -0.064 0.000 0.991 86 F HN -0.025 nan 8.300 nan 0.000 0.474 87 E N 0.493 120.865 120.200 0.286 0.000 2.153 87 E HA -0.216 4.145 4.350 0.019 0.000 0.194 87 E C 2.152 178.858 176.600 0.178 0.000 0.988 87 E CA 1.368 57.925 56.400 0.262 0.000 0.811 87 E CB -0.149 29.657 29.700 0.177 0.000 0.746 87 E HN 0.579 nan 8.360 nan 0.000 0.466 88 R N -0.309 120.244 120.500 0.088 0.000 2.223 88 R HA 0.122 4.473 4.340 0.019 0.000 0.198 88 R C 2.002 178.301 176.300 -0.001 0.000 0.984 88 R CA 0.408 56.531 56.100 0.038 0.000 1.018 88 R CB -0.207 30.107 30.300 0.023 0.000 0.945 88 R HN 0.016 nan 8.270 nan 0.000 0.479 89 Q N 0.170 119.955 119.800 -0.025 0.000 2.083 89 Q HA -0.079 4.272 4.340 0.019 0.000 0.198 89 Q C 1.556 177.534 176.000 -0.036 0.000 0.969 89 Q CA 1.365 57.130 55.803 -0.063 0.000 0.838 89 Q CB -0.207 28.455 28.738 -0.128 0.000 0.900 89 Q HN 0.299 nan 8.270 nan 0.000 0.436 90 F N 1.845 121.682 119.950 -0.188 0.000 2.025 90 F HA -0.256 4.274 4.527 0.004 0.000 0.297 90 F C 1.818 177.581 175.800 -0.063 0.000 1.132 90 F CA 1.249 59.169 58.000 -0.133 0.000 1.191 90 F CB -0.471 38.472 39.000 -0.095 0.000 0.963 90 F HN 0.006 nan 8.300 nan 0.000 0.481 91 L N 0.076 121.151 121.223 -0.246 0.000 2.351 91 L HA -0.205 4.146 4.340 0.019 0.000 0.220 91 L C 2.250 178.987 176.870 -0.221 0.000 1.127 91 L CA 1.657 56.312 54.840 -0.309 0.000 0.786 91 L CB -1.779 40.219 42.059 -0.100 0.000 0.914 91 L HN 0.272 nan 8.230 nan 0.000 0.443 92 S N -1.053 114.553 115.700 -0.156 0.000 2.501 92 S HA 0.175 4.657 4.470 0.019 0.000 0.220 92 S C 1.700 176.229 174.600 -0.119 0.000 0.997 92 S CA 0.709 58.843 58.200 -0.111 0.000 0.919 92 S CB 0.522 63.679 63.200 -0.072 0.000 0.778 92 S HN 0.649 nan 8.310 nan 0.000 0.523 93 G N 2.117 110.821 108.800 -0.161 0.000 2.253 93 G HA2 -0.350 3.621 3.960 0.019 0.000 0.251 93 G HA3 -0.350 3.621 3.960 0.019 0.000 0.251 93 G C 0.786 175.643 174.900 -0.072 0.000 0.998 93 G CA 0.535 45.560 45.100 -0.125 0.000 0.621 93 G HN 0.660 nan 8.290 nan 0.000 0.524 94 E N -0.267 119.894 120.200 -0.065 0.000 2.418 94 E HA 0.273 4.634 4.350 0.019 0.000 0.197 94 E C 0.903 177.477 176.600 -0.042 0.000 1.026 94 E CA 0.485 56.857 56.400 -0.047 0.000 0.862 94 E CB 0.190 29.862 29.700 -0.047 0.000 0.799 94 E HN 0.607 nan 8.360 nan 0.000 0.518 95 L N 1.952 123.155 121.223 -0.034 0.000 2.342 95 L HA 0.318 4.669 4.340 0.019 0.000 0.276 95 L C -0.878 176.041 176.870 0.080 0.000 0.997 95 L CA -0.666 54.159 54.840 -0.026 0.000 0.838 95 L CB 1.861 43.842 42.059 -0.131 0.000 1.224 95 L HN 0.002 nan 8.230 nan 0.000 0.416 96 E N 3.322 123.556 120.200 0.058 0.000 2.313 96 E HA 0.473 4.835 4.350 0.019 0.000 0.276 96 E C -1.424 175.225 176.600 0.082 0.000 1.031 96 E CA -0.444 56.022 56.400 0.110 0.000 0.857 96 E CB 1.181 30.919 29.700 0.062 0.000 1.040 96 E HN 0.490 nan 8.360 nan 0.000 0.408 97 V N 4.280 124.259 119.914 0.108 0.000 2.588 97 V HA 0.248 4.380 4.120 0.019 0.000 0.304 97 V C -0.489 175.615 176.094 0.018 0.000 1.042 97 V CA -0.665 61.639 62.300 0.007 0.000 0.877 97 V CB 1.778 33.496 31.823 -0.174 0.000 0.996 97 V HN 0.729 nan 8.190 nan 0.000 0.425 98 E N 4.163 124.371 120.200 0.015 0.000 2.183 98 E HA 0.348 4.710 4.350 0.019 0.000 0.250 98 E C -1.392 175.209 176.600 0.001 0.000 0.901 98 E CA -0.755 55.654 56.400 0.015 0.000 0.741 98 E CB 1.068 30.782 29.700 0.023 0.000 1.182 98 E HN 0.384 nan 8.360 nan 0.000 0.425 99 L N 4.432 125.646 121.223 -0.016 0.000 2.360 99 L HA 0.299 4.650 4.340 0.019 0.000 0.276 99 L C -0.249 176.627 176.870 0.009 0.000 1.121 99 L CA -0.160 54.669 54.840 -0.018 0.000 0.845 99 L CB 1.027 43.063 42.059 -0.039 0.000 1.143 99 L HN 0.321 nan 8.230 nan 0.000 0.452 100 V N 5.919 125.847 119.914 0.022 0.000 2.709 100 V HA 0.429 4.560 4.120 0.019 0.000 0.308 100 V C -2.209 173.921 176.094 0.060 0.000 1.062 100 V CA -1.785 60.539 62.300 0.041 0.000 0.901 100 V CB 2.434 34.287 31.823 0.051 0.000 1.003 100 V HN 0.614 nan 8.190 nan 0.000 0.425 101 P HA 0.090 nan 4.420 nan 0.000 0.267 101 P C 0.648 178.015 177.300 0.112 0.000 1.205 101 P CA 0.259 63.405 63.100 0.077 0.000 0.765 101 P CB 0.583 32.322 31.700 0.066 0.000 0.828 102 Q N 3.046 122.924 119.800 0.131 0.000 2.096 102 Q HA -0.229 4.122 4.340 0.019 0.000 0.208 102 Q C 2.060 178.183 176.000 0.206 0.000 0.993 102 Q CA 2.492 58.420 55.803 0.208 0.000 0.862 102 Q CB -0.816 28.052 28.738 0.216 0.000 0.915 102 Q HN 0.699 nan 8.270 nan 0.000 0.416 103 G N -0.991 107.883 108.800 0.124 0.000 2.422 103 G HA2 -0.231 3.741 3.960 0.019 0.000 0.218 103 G HA3 -0.231 3.741 3.960 0.019 0.000 0.218 103 G C 1.325 176.289 174.900 0.107 0.000 1.146 103 G CA 1.223 46.369 45.100 0.077 0.000 0.769 103 G HN 0.375 nan 8.290 nan 0.000 0.547 104 T N 0.920 115.561 114.554 0.144 0.000 2.821 104 T HA -0.082 4.279 4.350 0.019 0.000 0.267 104 T C 2.231 177.052 174.700 0.202 0.000 1.046 104 T CA 1.061 63.279 62.100 0.196 0.000 1.139 104 T CB -0.174 68.771 68.868 0.129 0.000 0.871 104 T HN 0.134 nan 8.240 nan 0.000 0.454 105 L N 1.599 122.936 121.223 0.190 0.000 1.994 105 L HA 0.052 4.403 4.340 0.019 0.000 0.208 105 L C 2.642 179.667 176.870 0.258 0.000 1.071 105 L CA 2.004 56.982 54.840 0.231 0.000 0.745 105 L CB -1.170 41.046 42.059 0.260 0.000 0.892 105 L HN 0.218 nan 8.230 nan 0.000 0.431 106 A N -0.691 122.249 122.820 0.200 0.000 1.873 106 A HA -0.312 4.019 4.320 0.019 0.000 0.218 106 A C 2.288 179.809 177.584 -0.105 0.000 1.193 106 A CA 2.097 54.048 52.037 -0.144 0.000 0.629 106 A CB -0.919 17.811 19.000 -0.449 0.000 0.826 106 A HN 0.542 nan 8.150 nan 0.000 0.447 107 E N -0.468 119.692 120.200 -0.067 0.000 2.268 107 E HA -0.080 4.281 4.350 0.019 0.000 0.195 107 E C 2.114 178.658 176.600 -0.094 0.000 0.995 107 E CA 0.931 57.207 56.400 -0.206 0.000 0.836 107 E CB -0.145 29.320 29.700 -0.391 0.000 0.763 107 E HN 0.606 nan 8.360 nan 0.000 0.491 108 R N -0.589 120.003 120.500 0.154 0.000 2.093 108 R HA 0.061 4.412 4.340 0.019 0.000 0.224 108 R C 2.199 178.559 176.300 0.099 0.000 1.101 108 R CA 1.237 57.473 56.100 0.227 0.000 0.979 108 R CB -0.145 30.283 30.300 0.212 0.000 0.877 108 R HN 0.247 nan 8.270 nan 0.000 0.441 109 I N 0.134 120.742 120.570 0.064 0.000 2.286 109 I HA -0.226 3.955 4.170 0.019 0.000 0.245 109 I C 2.680 178.778 176.117 -0.031 0.000 1.104 109 I CA 1.003 62.324 61.300 0.035 0.000 1.397 109 I CB -0.239 37.803 38.000 0.071 0.000 1.072 109 I HN 0.091 nan 8.210 nan 0.000 0.417 110 R N 1.338 121.785 120.500 -0.088 0.000 2.096 110 R HA -0.241 4.110 4.340 0.019 0.000 0.240 110 R C 2.394 178.628 176.300 -0.109 0.000 1.139 110 R CA 1.898 57.914 56.100 -0.139 0.000 0.952 110 R CB -0.364 29.817 30.300 -0.198 0.000 0.854 110 R HN 0.373 nan 8.270 nan 0.000 0.436 111 A N 0.165 122.926 122.820 -0.098 0.000 1.873 111 A HA -0.143 4.188 4.320 0.019 0.000 0.218 111 A C 2.393 179.977 177.584 -0.000 0.000 1.193 111 A CA 2.007 54.013 52.037 -0.052 0.000 0.629 111 A CB -1.474 17.558 19.000 0.052 0.000 0.826 111 A HN 0.620 nan 8.150 nan 0.000 0.447 112 G N -0.879 107.932 108.800 0.018 0.000 2.421 112 G HA2 0.024 3.996 3.960 0.019 0.000 0.216 112 G HA3 0.024 3.996 3.960 0.019 0.000 0.216 112 G C 1.553 176.459 174.900 0.010 0.000 1.171 112 G CA 1.257 46.371 45.100 0.025 0.000 0.775 112 G HN 0.800 nan 8.290 nan 0.000 0.543 113 G N 0.721 109.511 108.800 -0.016 0.000 2.462 113 G HA2 0.097 4.068 3.960 0.019 0.000 0.220 113 G HA3 0.097 4.068 3.960 0.019 0.000 0.220 113 G C 1.658 176.555 174.900 -0.005 0.000 1.121 113 G CA 1.346 46.428 45.100 -0.030 0.000 0.758 113 G HN 0.726 nan 8.290 nan 0.000 0.559 114 A N -0.661 122.149 122.820 -0.017 0.000 2.308 114 A HA 0.511 4.842 4.320 0.019 0.000 0.217 114 A C 1.945 179.538 177.584 0.015 0.000 1.216 114 A CA 1.096 53.132 52.037 -0.001 0.000 0.864 114 A CB -0.276 18.701 19.000 -0.038 0.000 0.902 114 A HN 1.518 nan 8.150 nan 0.000 0.499 115 G N -0.536 108.277 108.800 0.022 0.000 2.179 115 G HA2 -0.203 3.769 3.960 0.019 0.000 0.260 115 G HA3 -0.203 3.769 3.960 0.019 0.000 0.260 115 G C -0.035 174.882 174.900 0.028 0.000 0.977 115 G CA 0.223 45.340 45.100 0.027 0.000 0.641 115 G HN 0.379 nan 8.290 nan 0.000 0.533 116 I N 2.013 122.599 120.570 0.027 0.000 2.363 116 I HA 0.236 4.417 4.170 0.019 0.000 0.292 116 I C -0.446 175.713 176.117 0.071 0.000 1.075 116 I CA -3.103 58.225 61.300 0.047 0.000 1.333 116 I CB 0.537 38.565 38.000 0.045 0.000 1.415 116 I HN -0.079 nan 8.210 nan 0.000 0.502 117 P HA 0.034 nan 4.420 nan 0.000 0.223 117 P C 0.551 177.879 177.300 0.047 0.000 1.151 117 P CA 0.825 63.953 63.100 0.047 0.000 0.787 117 P CB 0.725 32.443 31.700 0.031 0.000 0.788 118 G N -0.656 108.184 108.800 0.067 0.000 2.673 118 G HA2 0.547 4.518 3.960 0.019 0.000 0.292 118 G HA3 0.547 4.518 3.960 0.019 0.000 0.292 118 G C -1.837 173.109 174.900 0.078 0.000 1.450 118 G CA -0.718 44.377 45.100 -0.009 0.000 0.837 118 G HN 0.101 nan 8.290 nan 0.000 0.505 119 F N -1.268 118.574 119.950 -0.179 0.000 2.713 119 F HA 0.798 5.336 4.527 0.018 0.000 0.311 119 F C -2.145 173.501 175.800 -0.257 0.000 1.141 119 F CA -2.139 55.767 58.000 -0.156 0.000 0.939 119 F CB 1.027 39.975 39.000 -0.087 0.000 1.325 119 F HN 0.481 nan 8.300 nan 0.000 0.453 120 Y N 0.369 120.634 120.300 -0.059 0.000 2.387 120 Y HA 0.675 5.236 4.550 0.019 0.000 0.330 120 Y C 0.396 176.290 175.900 -0.010 0.000 1.133 120 Y CA -0.347 57.683 58.100 -0.116 0.000 1.152 120 Y CB 2.098 40.473 38.460 -0.141 0.000 1.215 120 Y HN 0.939 nan 8.280 nan 0.000 0.466 121 T N 0.298 114.996 114.554 0.240 0.000 2.868 121 T HA 0.598 4.960 4.350 0.019 0.000 0.306 121 T C 0.178 175.115 174.700 0.395 0.000 1.224 121 T CA 0.006 62.295 62.100 0.315 0.000 1.012 121 T CB 1.197 70.204 68.868 0.232 0.000 1.221 121 T HN 0.678 nan 8.240 nan 0.000 0.499 122 A N 1.700 124.741 122.820 0.369 0.000 2.072 122 A HA 0.284 4.615 4.320 0.019 0.000 0.216 122 A C 1.163 178.767 177.584 0.033 0.000 1.156 122 A CA 0.571 52.647 52.037 0.065 0.000 0.701 122 A CB -0.637 18.347 19.000 -0.027 0.000 0.816 122 A HN 0.794 nan 8.150 nan 0.000 0.458 123 T N 0.618 115.217 114.554 0.075 0.000 2.831 123 T HA 0.383 4.745 4.350 0.019 0.000 0.291 123 T C 1.412 176.127 174.700 0.024 0.000 0.981 123 T CA 1.189 63.318 62.100 0.049 0.000 1.174 123 T CB 0.454 69.365 68.868 0.071 0.000 0.929 123 T HN 1.313 nan 8.240 nan 0.000 0.532 124 G N 2.545 111.354 108.800 0.016 0.000 2.225 124 G HA2 -0.275 3.696 3.960 0.019 0.000 0.254 124 G HA3 -0.275 3.696 3.960 0.019 0.000 0.254 124 G C 0.361 175.265 174.900 0.005 0.000 0.988 124 G CA -0.095 45.011 45.100 0.011 0.000 0.625 124 G HN 0.801 nan 8.290 nan 0.000 0.527 125 V N 1.275 121.181 119.914 -0.012 0.000 2.814 125 V HA 0.336 4.467 4.120 0.019 0.000 0.307 125 V C 2.055 178.170 176.094 0.034 0.000 1.089 125 V CA 1.886 64.184 62.300 -0.003 0.000 1.212 125 V CB 0.656 32.451 31.823 -0.047 0.000 0.912 125 V HN 2.103 nan 8.190 nan 0.000 0.497 126 G N 3.232 112.082 108.800 0.084 0.000 2.203 126 G HA2 -0.238 3.733 3.960 0.019 0.000 0.263 126 G HA3 -0.238 3.733 3.960 0.019 0.000 0.263 126 G C 0.243 175.173 174.900 0.050 0.000 1.012 126 G CA 0.538 45.677 45.100 0.066 0.000 0.749 126 G HN 0.894 nan 8.290 nan 0.000 0.512 127 T N -1.051 113.537 114.554 0.056 0.000 2.916 127 T HA 0.552 4.913 4.350 0.019 0.000 0.292 127 T C 1.499 176.230 174.700 0.052 0.000 1.064 127 T CA 0.310 62.436 62.100 0.044 0.000 1.011 127 T CB 1.602 70.490 68.868 0.034 0.000 1.152 127 T HN 0.095 nan 8.240 nan 0.000 0.510 128 S N 1.222 116.949 115.700 0.044 0.000 2.465 128 S HA -0.080 4.401 4.470 0.019 0.000 0.241 128 S C 1.883 176.511 174.600 0.046 0.000 1.000 128 S CA 0.746 58.973 58.200 0.045 0.000 0.964 128 S CB -0.293 62.931 63.200 0.040 0.000 0.763 128 S HN 0.498 nan 8.310 nan 0.000 0.512 129 I N 1.625 122.219 120.570 0.040 0.000 2.546 129 I HA -0.063 4.118 4.170 0.019 0.000 0.255 129 I C 2.286 178.420 176.117 0.029 0.000 1.163 129 I CA 0.563 61.880 61.300 0.029 0.000 1.457 129 I CB -0.491 37.523 38.000 0.022 0.000 1.092 129 I HN 0.251 nan 8.210 nan 0.000 0.434 130 A N -0.565 122.286 122.820 0.052 0.000 2.119 130 A HA -0.051 4.280 4.320 0.019 0.000 0.217 130 A C 1.096 178.778 177.584 0.164 0.000 1.153 130 A CA 0.461 52.550 52.037 0.087 0.000 0.692 130 A CB -0.494 18.614 19.000 0.181 0.000 0.799 130 A HN 0.266 nan 8.150 nan 0.000 0.458 131 E N -0.490 119.774 120.200 0.107 0.000 2.415 131 E HA 0.266 4.628 4.350 0.019 0.000 0.263 131 E C 1.166 177.815 176.600 0.083 0.000 0.995 131 E CA 0.858 57.314 56.400 0.093 0.000 0.915 131 E CB 0.231 29.966 29.700 0.059 0.000 0.951 131 E HN 0.612 nan 8.360 nan 0.000 0.449 132 G N 3.287 112.137 108.800 0.083 0.000 2.186 132 G HA2 -0.339 3.632 3.960 0.019 0.000 0.266 132 G HA3 -0.339 3.632 3.960 0.019 0.000 0.266 132 G C 0.163 175.107 174.900 0.073 0.000 0.982 132 G CA 0.898 46.037 45.100 0.065 0.000 0.670 132 G HN 0.432 nan 8.290 nan 0.000 0.533 133 K N 0.306 120.772 120.400 0.111 0.000 2.098 133 K HA 0.493 4.824 4.320 0.019 0.000 0.258 133 K C -0.029 176.677 176.600 0.175 0.000 0.973 133 K CA -0.849 55.480 56.287 0.068 0.000 0.898 133 K CB 1.155 33.639 32.500 -0.027 0.000 1.057 133 K HN 0.191 nan 8.250 nan 0.000 0.447 134 E N 1.640 121.908 120.200 0.113 0.000 2.415 134 E HA 0.015 4.376 4.350 0.019 0.000 0.263 134 E C -0.931 175.858 176.600 0.314 0.000 0.995 134 E CA 0.432 56.962 56.400 0.217 0.000 0.915 134 E CB 0.175 29.981 29.700 0.177 0.000 0.951 134 E HN 0.266 nan 8.360 nan 0.000 0.449 135 H N 1.862 121.043 119.070 0.185 0.000 2.459 135 H HA 0.469 5.036 4.556 0.018 0.000 0.332 135 H C -0.403 175.013 175.328 0.147 0.000 1.094 135 H CA -0.587 55.576 56.048 0.191 0.000 1.224 135 H CB 1.174 30.993 29.762 0.095 0.000 1.449 135 H HN 0.278 nan 8.280 nan 0.000 0.484 136 K N 1.472 121.982 120.400 0.182 0.000 2.502 136 K HA 0.422 4.754 4.320 0.019 0.000 0.257 136 K C -1.086 175.445 176.600 -0.116 0.000 0.938 136 K CA -0.715 55.501 56.287 -0.119 0.000 0.819 136 K CB 1.602 33.817 32.500 -0.475 0.000 1.333 136 K HN 0.585 nan 8.250 nan 0.000 0.434 137 T N 3.226 117.630 114.554 -0.251 0.000 2.771 137 T HA 0.460 4.822 4.350 0.019 0.000 0.291 137 T C -0.933 173.560 174.700 -0.345 0.000 0.954 137 T CA -0.114 61.908 62.100 -0.130 0.000 1.045 137 T CB -0.005 68.803 68.868 -0.101 0.000 0.917 137 T HN 0.263 nan 8.240 nan 0.000 0.484 138 F N 0.716 120.749 119.950 0.138 0.000 2.539 138 F HA 0.530 5.068 4.527 0.018 0.000 0.318 138 F C 1.101 176.977 175.800 0.126 0.000 1.135 138 F CA -0.908 57.132 58.000 0.066 0.000 0.915 138 F CB 1.723 40.668 39.000 -0.092 0.000 1.176 138 F HN 0.795 nan 8.300 nan 0.000 0.440 139 G N 2.002 110.930 108.800 0.213 0.000 2.395 139 G HA2 0.070 4.041 3.960 0.019 0.000 0.292 139 G HA3 0.070 4.041 3.960 0.019 0.000 0.292 139 G C 1.128 176.103 174.900 0.124 0.000 0.953 139 G CA 0.807 45.992 45.100 0.143 0.000 1.207 139 G HN 1.892 nan 8.290 nan 0.000 0.503 140 G N -0.948 107.903 108.800 0.085 0.000 2.175 140 G HA2 -0.277 3.694 3.960 0.019 0.000 0.265 140 G HA3 -0.277 3.694 3.960 0.019 0.000 0.265 140 G C 0.466 175.398 174.900 0.053 0.000 0.979 140 G CA 1.532 46.664 45.100 0.053 0.000 0.663 140 G HN 1.721 nan 8.290 nan 0.000 0.533 141 R N -0.290 120.270 120.500 0.100 0.000 2.750 141 R HA 0.608 4.959 4.340 0.019 0.000 0.281 141 R C -0.638 175.636 176.300 -0.045 0.000 0.972 141 R CA -0.297 55.805 56.100 0.003 0.000 0.912 141 R CB 1.141 31.417 30.300 -0.041 0.000 1.187 141 R HN 0.036 nan 8.270 nan 0.000 0.464 142 T N 3.484 117.936 114.554 -0.170 0.000 2.832 142 T HA 0.311 4.672 4.350 0.019 0.000 0.296 142 T C -1.105 173.368 174.700 -0.379 0.000 0.968 142 T CA 0.320 62.350 62.100 -0.116 0.000 1.107 142 T CB 0.103 68.970 68.868 -0.002 0.000 0.916 142 T HN 0.333 nan 8.240 nan 0.000 0.517 143 Y N 0.732 121.109 120.300 0.128 0.000 2.570 143 Y HA 0.646 5.208 4.550 0.019 0.000 0.345 143 Y C -0.024 175.975 175.900 0.165 0.000 1.014 143 Y CA -1.187 57.006 58.100 0.155 0.000 1.063 143 Y CB 1.453 40.054 38.460 0.234 0.000 1.272 143 Y HN 0.366 nan 8.280 nan 0.000 0.477 144 V N 3.245 123.307 119.914 0.246 0.000 2.581 144 V HA 0.487 4.619 4.120 0.019 0.000 0.303 144 V C -1.026 175.032 176.094 -0.059 0.000 1.041 144 V CA -0.973 61.321 62.300 -0.010 0.000 0.907 144 V CB 1.743 33.408 31.823 -0.264 0.000 0.994 144 V HN 0.655 nan 8.190 nan 0.000 0.442 145 L N 5.932 126.971 121.223 -0.307 0.000 2.319 145 L HA 0.508 4.860 4.340 0.019 0.000 0.280 145 L C -0.087 176.470 176.870 -0.521 0.000 1.099 145 L CA 0.704 55.095 54.840 -0.747 0.000 0.828 145 L CB 0.719 42.339 42.059 -0.732 0.000 1.150 145 L HN 0.622 nan 8.230 nan 0.000 0.442 146 E N 5.023 124.784 120.200 -0.732 0.000 2.212 146 E HA 0.432 4.793 4.350 0.019 0.000 0.268 146 E C -0.858 175.452 176.600 -0.483 0.000 0.902 146 E CA -0.689 55.348 56.400 -0.605 0.000 0.779 146 E CB 1.925 31.189 29.700 -0.726 0.000 1.172 146 E HN 0.518 nan 8.360 nan 0.000 0.409 147 R N 0.303 120.683 120.500 -0.200 0.000 2.346 147 R HA 0.413 4.764 4.340 0.019 0.000 0.311 147 R C 0.456 176.780 176.300 0.040 0.000 0.983 147 R CA -0.600 55.457 56.100 -0.071 0.000 0.880 147 R CB 1.422 31.691 30.300 -0.052 0.000 1.100 147 R HN 0.571 nan 8.270 nan 0.000 0.453 148 G N 3.593 112.449 108.800 0.093 0.000 2.287 148 G HA2 0.034 4.005 3.960 0.019 0.000 0.235 148 G HA3 0.034 4.005 3.960 0.019 0.000 0.235 148 G C 0.025 174.966 174.900 0.068 0.000 1.258 148 G CA -0.134 45.030 45.100 0.107 0.000 0.884 148 G HN 0.471 nan 8.290 nan 0.000 0.518 149 I N 1.089 121.701 120.570 0.069 0.000 2.437 149 I HA 0.384 4.566 4.170 0.019 0.000 0.298 149 I C 0.496 176.638 176.117 0.042 0.000 0.984 149 I CA -0.274 61.057 61.300 0.052 0.000 1.214 149 I CB 2.213 40.248 38.000 0.059 0.000 1.365 149 I HN 0.341 nan 8.210 nan 0.000 0.469 150 T N 3.417 117.993 114.554 0.035 0.000 2.900 150 T HA 0.682 5.043 4.350 0.019 0.000 0.295 150 T C -0.386 174.332 174.700 0.031 0.000 1.044 150 T CA -0.595 61.523 62.100 0.031 0.000 0.995 150 T CB 1.910 70.795 68.868 0.029 0.000 1.072 150 T HN 0.809 nan 8.240 nan 0.000 0.473 151 G N 0.829 109.648 108.800 0.032 0.000 2.519 151 G HA2 0.454 4.425 3.960 0.019 0.000 0.307 151 G HA3 0.454 4.425 3.960 0.019 0.000 0.307 151 G C 0.277 175.196 174.900 0.032 0.000 1.266 151 G CA -0.596 44.523 45.100 0.032 0.000 0.970 151 G HN 0.648 nan 8.290 nan 0.000 0.481 152 D N -0.709 119.708 120.400 0.029 0.000 2.117 152 D HA -0.065 4.586 4.640 0.019 0.000 0.198 152 D C 0.787 177.110 176.300 0.038 0.000 0.982 152 D CA 1.438 55.454 54.000 0.027 0.000 0.828 152 D CB 0.376 41.189 40.800 0.021 0.000 0.967 152 D HN 0.102 nan 8.370 nan 0.000 0.464 153 V N 0.282 120.222 119.914 0.043 0.000 2.709 153 V HA 0.598 4.730 4.120 0.019 0.000 0.308 153 V C -0.493 175.632 176.094 0.052 0.000 1.062 153 V CA -1.066 61.267 62.300 0.054 0.000 0.901 153 V CB 2.002 33.858 31.823 0.055 0.000 1.003 153 V HN 0.109 nan 8.190 nan 0.000 0.425 154 A N 4.385 127.243 122.820 0.062 0.000 2.330 154 A HA 0.924 5.255 4.320 0.019 0.000 0.327 154 A C -1.118 176.508 177.584 0.069 0.000 1.155 154 A CA -0.456 51.618 52.037 0.061 0.000 0.803 154 A CB 1.006 20.044 19.000 0.064 0.000 1.208 154 A HN 0.696 nan 8.150 nan 0.000 0.477 155 I N 2.429 123.034 120.570 0.059 0.000 2.418 155 I HA 0.528 4.709 4.170 0.019 0.000 0.287 155 I C -0.400 175.761 176.117 0.073 0.000 1.008 155 I CA -0.214 61.122 61.300 0.058 0.000 1.104 155 I CB 1.975 39.993 38.000 0.031 0.000 1.264 155 I HN 0.647 nan 8.210 nan 0.000 0.438 156 V N 3.715 123.689 119.914 0.101 0.000 3.007 156 V HA 0.767 4.898 4.120 0.019 0.000 0.311 156 V C -1.091 175.108 176.094 0.175 0.000 1.120 156 V CA -0.934 61.454 62.300 0.146 0.000 0.980 156 V CB 2.068 34.006 31.823 0.191 0.000 1.033 156 V HN 0.639 nan 8.190 nan 0.000 0.429 157 K N 2.892 123.430 120.400 0.231 0.000 2.274 157 K HA 0.906 5.238 4.320 0.019 0.000 0.262 157 K C -0.488 176.330 176.600 0.364 0.000 0.961 157 K CA 0.321 56.746 56.287 0.231 0.000 0.833 157 K CB 1.360 33.971 32.500 0.184 0.000 1.102 157 K HN 1.467 nan 8.250 nan 0.000 0.436 158 A N 3.459 126.401 122.820 0.204 0.000 2.380 158 A HA 0.421 4.752 4.320 0.019 0.000 0.315 158 A C -0.118 177.558 177.584 0.154 0.000 1.101 158 A CA -0.818 51.255 52.037 0.060 0.000 0.771 158 A CB 0.354 19.189 19.000 -0.274 0.000 1.287 158 A HN 0.987 nan 8.150 nan 0.000 0.436 159 W N 1.765 123.039 121.300 -0.043 0.000 2.354 159 W HA 0.039 4.710 4.660 0.019 0.000 0.315 159 W C 0.245 176.739 176.519 -0.042 0.000 1.206 159 W CA 1.575 58.916 57.345 -0.007 0.000 1.290 159 W CB 0.131 29.604 29.460 0.021 0.000 1.152 159 W HN 0.558 nan 8.180 nan 0.000 0.489 160 K N -0.692 119.582 120.400 -0.210 0.000 2.435 160 K HA 0.656 4.987 4.320 0.019 0.000 0.251 160 K C -1.180 175.291 176.600 -0.215 0.000 0.954 160 K CA -0.686 55.403 56.287 -0.329 0.000 0.820 160 K CB 2.157 34.350 32.500 -0.512 0.000 1.292 160 K HN -0.162 nan 8.250 nan 0.000 0.436 161 A N 1.452 124.172 122.820 -0.168 0.000 2.435 161 A HA 0.526 4.858 4.320 0.019 0.000 0.304 161 A C -1.371 176.150 177.584 -0.105 0.000 1.064 161 A CA -0.745 51.220 52.037 -0.119 0.000 0.727 161 A CB 1.192 20.148 19.000 -0.074 0.000 1.284 161 A HN 0.821 nan 8.150 nan 0.000 0.415 162 D N -0.335 120.015 120.400 -0.083 0.000 2.385 162 D HA 0.358 5.009 4.640 0.019 0.000 0.254 162 D C 1.187 177.458 176.300 -0.047 0.000 1.053 162 D CA 0.293 54.252 54.000 -0.068 0.000 0.992 162 D CB 0.462 41.223 40.800 -0.066 0.000 1.145 162 D HN 0.494 nan 8.370 nan 0.000 0.523 163 T N -2.636 111.894 114.554 -0.040 0.000 3.025 163 T HA -0.118 4.243 4.350 0.019 0.000 0.270 163 T C 1.442 176.126 174.700 -0.028 0.000 1.126 163 T CA 0.795 62.879 62.100 -0.027 0.000 1.105 163 T CB -0.462 68.392 68.868 -0.024 0.000 0.884 163 T HN 0.423 nan 8.240 nan 0.000 0.522 164 M N 0.529 120.108 119.600 -0.034 0.000 2.431 164 M HA 0.353 4.845 4.480 0.019 0.000 0.237 164 M C 1.695 177.974 176.300 -0.035 0.000 1.130 164 M CA 0.402 55.680 55.300 -0.037 0.000 1.002 164 M CB 0.402 32.978 32.600 -0.041 0.000 1.524 164 M HN 0.554 nan 8.290 nan 0.000 0.482 165 G N 0.740 109.523 108.800 -0.028 0.000 2.176 165 G HA2 -0.217 3.754 3.960 0.019 0.000 0.253 165 G HA3 -0.217 3.754 3.960 0.019 0.000 0.253 165 G C -0.161 174.735 174.900 -0.007 0.000 0.979 165 G CA -0.365 44.727 45.100 -0.014 0.000 0.641 165 G HN 0.480 nan 8.290 nan 0.000 0.530 166 N N 0.547 119.232 118.700 -0.026 0.000 2.483 166 N HA 0.425 5.177 4.740 0.019 0.000 0.264 166 N C 0.370 175.844 175.510 -0.059 0.000 1.197 166 N CA 0.506 53.541 53.050 -0.026 0.000 0.927 166 N CB 0.821 39.284 38.487 -0.039 0.000 1.065 166 N HN 0.414 nan 8.380 nan 0.000 0.461 167 L N 2.442 123.625 121.223 -0.066 0.000 2.346 167 L HA 0.606 4.958 4.340 0.019 0.000 0.274 167 L C 0.081 176.798 176.870 -0.256 0.000 1.007 167 L CA -0.768 53.941 54.840 -0.219 0.000 0.818 167 L CB 2.133 44.009 42.059 -0.305 0.000 1.284 167 L HN 0.361 nan 8.230 nan 0.000 0.424 168 I N 1.086 121.470 120.570 -0.310 0.000 2.569 168 I HA 0.549 4.730 4.170 0.019 0.000 0.296 168 I C -1.236 174.798 176.117 -0.138 0.000 1.028 168 I CA -0.371 60.865 61.300 -0.107 0.000 1.082 168 I CB 2.044 40.045 38.000 0.001 0.000 1.264 168 I HN 0.389 nan 8.210 nan 0.000 0.429 169 F N 5.277 125.562 119.950 0.559 0.000 2.585 169 F HA 0.652 5.190 4.527 0.019 0.000 0.350 169 F C 0.031 175.981 175.800 0.249 0.000 1.074 169 F CA -0.841 57.360 58.000 0.335 0.000 1.032 169 F CB 1.011 40.095 39.000 0.140 0.000 1.330 169 F HN 0.261 nan 8.300 nan 0.000 0.495 170 R N 1.231 121.896 120.500 0.275 0.000 2.514 170 R HA 0.311 4.662 4.340 0.019 0.000 0.296 170 R C -0.496 175.771 176.300 -0.054 0.000 1.012 170 R CA -0.505 55.565 56.100 -0.049 0.000 0.897 170 R CB 1.267 31.342 30.300 -0.375 0.000 1.184 170 R HN 0.744 nan 8.270 nan 0.000 0.440 171 K N -0.297 120.051 120.400 -0.086 0.000 1.931 171 K HA -0.278 4.053 4.320 0.019 0.000 0.126 171 K C 0.758 177.317 176.600 -0.068 0.000 1.372 171 K CA 2.150 58.388 56.287 -0.082 0.000 0.483 171 K CB -1.347 31.098 32.500 -0.093 0.000 0.562 171 K HN 0.767 nan 8.250 nan 0.000 0.923 172 T N -1.225 113.290 114.554 -0.065 0.000 3.129 172 T HA 0.347 4.709 4.350 0.019 0.000 0.251 172 T C 1.611 176.288 174.700 -0.037 0.000 1.117 172 T CA 0.707 62.758 62.100 -0.082 0.000 1.034 172 T CB 0.186 68.996 68.868 -0.097 0.000 0.968 172 T HN 0.594 nan 8.240 nan 0.000 0.526 173 A N 1.603 124.429 122.820 0.010 0.000 2.225 173 A HA 0.057 4.388 4.320 0.019 0.000 0.215 173 A C 2.367 179.978 177.584 0.044 0.000 1.164 173 A CA 1.138 53.216 52.037 0.069 0.000 0.710 173 A CB -0.705 18.363 19.000 0.114 0.000 0.780 173 A HN 0.551 nan 8.150 nan 0.000 0.473 174 R N 0.548 121.010 120.500 -0.064 0.000 2.056 174 R HA -0.143 4.208 4.340 0.019 0.000 0.227 174 R C 1.626 177.719 176.300 -0.345 0.000 1.149 174 R CA 1.812 57.712 56.100 -0.332 0.000 0.937 174 R CB -0.451 29.662 30.300 -0.313 0.000 0.835 174 R HN 0.712 nan 8.270 nan 0.000 0.430 175 N N -1.357 117.218 118.700 -0.209 0.000 1.238 175 N HA -0.364 4.387 4.740 0.019 0.000 0.139 175 N C 0.795 176.225 175.510 -0.133 0.000 0.512 175 N CA 2.414 55.405 53.050 -0.099 0.000 1.011 175 N CB -1.505 37.065 38.487 0.138 0.000 1.386 175 N HN 0.217 nan 8.380 nan 0.000 0.471 176 F N 0.332 120.204 119.950 -0.130 0.000 2.776 176 F HA 0.306 4.846 4.527 0.021 0.000 0.300 176 F C 2.104 177.810 175.800 -0.156 0.000 1.116 176 F CA -0.120 57.813 58.000 -0.112 0.000 1.375 176 F CB -0.360 38.620 39.000 -0.032 0.000 1.109 176 F HN 0.257 nan 8.300 nan 0.000 0.585 177 N N 1.216 119.863 118.700 -0.089 0.000 2.069 177 N HA -0.149 4.602 4.740 0.019 0.000 0.191 177 N C -0.804 174.627 175.510 -0.132 0.000 1.031 177 N CA 1.713 54.694 53.050 -0.115 0.000 0.852 177 N CB -1.611 36.775 38.487 -0.170 0.000 1.018 177 N HN 0.187 nan 8.380 nan 0.000 0.423 178 P HA -0.041 nan 4.420 nan 0.000 0.217 178 P C 1.779 178.995 177.300 -0.140 0.000 1.151 178 P CA 0.942 63.961 63.100 -0.135 0.000 0.828 178 P CB -0.190 31.391 31.700 -0.199 0.000 0.788 179 I N -3.426 117.037 120.570 -0.179 0.000 2.500 179 I HA 0.005 4.186 4.170 0.019 0.000 0.252 179 I C 2.155 178.205 176.117 -0.113 0.000 1.142 179 I CA 1.271 62.462 61.300 -0.182 0.000 1.451 179 I CB -1.256 36.610 38.000 -0.223 0.000 1.093 179 I HN -0.212 nan 8.210 nan 0.000 0.430 180 A N 1.790 124.593 122.820 -0.030 0.000 1.898 180 A HA 0.032 4.364 4.320 0.019 0.000 0.216 180 A C 2.627 180.212 177.584 0.001 0.000 1.181 180 A CA 1.755 53.805 52.037 0.022 0.000 0.620 180 A CB -1.048 17.999 19.000 0.079 0.000 0.819 180 A HN 0.544 nan 8.150 nan 0.000 0.442 181 A N -0.296 122.529 122.820 0.010 0.000 1.927 181 A HA -0.265 4.066 4.320 0.019 0.000 0.220 181 A C 2.249 179.808 177.584 -0.042 0.000 1.185 181 A CA 2.227 54.288 52.037 0.040 0.000 0.639 181 A CB -0.625 18.444 19.000 0.115 0.000 0.820 181 A HN 0.576 nan 8.150 nan 0.000 0.451 182 M N -0.867 118.578 119.600 -0.259 0.000 2.132 182 M HA -0.065 4.427 4.480 0.019 0.000 0.263 182 M C 2.256 178.491 176.300 -0.109 0.000 1.065 182 M CA 1.438 56.493 55.300 -0.409 0.000 1.122 182 M CB -0.244 31.999 32.600 -0.595 0.000 1.365 182 M HN 0.416 nan 8.290 nan 0.000 0.411 183 A N 0.367 123.146 122.820 -0.067 0.000 2.238 183 A HA 0.288 4.619 4.320 0.019 0.000 0.208 183 A C 1.160 178.758 177.584 0.023 0.000 1.177 183 A CA 0.479 52.510 52.037 -0.010 0.000 0.804 183 A CB -0.920 18.079 19.000 -0.002 0.000 0.823 183 A HN 0.434 nan 8.150 nan 0.000 0.482 184 G N -0.619 108.203 108.800 0.036 0.000 2.322 184 G HA2 0.390 4.362 3.960 0.019 0.000 0.309 184 G HA3 0.390 4.362 3.960 0.019 0.000 0.309 184 G C 0.551 175.489 174.900 0.062 0.000 1.121 184 G CA -0.238 44.894 45.100 0.052 0.000 0.886 184 G HN 0.275 nan 8.290 nan 0.000 0.447 185 K N 2.133 122.564 120.400 0.052 0.000 2.059 185 K HA -0.088 4.243 4.320 0.019 0.000 0.212 185 K C 0.581 177.218 176.600 0.061 0.000 1.050 185 K CA 1.250 57.567 56.287 0.050 0.000 0.927 185 K CB -0.187 32.334 32.500 0.036 0.000 0.714 185 K HN 0.524 nan 8.250 nan 0.000 0.447 186 I N 0.748 121.362 120.570 0.073 0.000 2.418 186 I HA 0.167 4.348 4.170 0.019 0.000 0.287 186 I C -1.053 175.135 176.117 0.117 0.000 1.008 186 I CA -0.597 60.767 61.300 0.106 0.000 1.104 186 I CB 2.298 40.376 38.000 0.130 0.000 1.264 186 I HN -0.129 nan 8.210 nan 0.000 0.438 187 T N 7.132 121.761 114.554 0.125 0.000 2.770 187 T HA 0.614 4.975 4.350 0.019 0.000 0.283 187 T C -0.166 174.622 174.700 0.146 0.000 0.988 187 T CA -0.294 61.879 62.100 0.121 0.000 0.957 187 T CB 0.779 69.719 68.868 0.119 0.000 0.930 187 T HN 0.258 nan 8.240 nan 0.000 0.443 188 I N 2.744 123.396 120.570 0.138 0.000 2.362 188 I HA 0.601 4.783 4.170 0.019 0.000 0.289 188 I C 0.228 176.413 176.117 0.113 0.000 0.994 188 I CA -1.084 60.299 61.300 0.139 0.000 1.158 188 I CB 1.449 39.513 38.000 0.107 0.000 1.315 188 I HN 0.598 nan 8.210 nan 0.000 0.451 189 A N 5.640 128.526 122.820 0.109 0.000 2.260 189 A HA 0.434 4.765 4.320 0.019 0.000 0.314 189 A C -0.202 177.429 177.584 0.078 0.000 1.257 189 A CA -0.478 51.618 52.037 0.099 0.000 0.871 189 A CB 0.622 19.673 19.000 0.084 0.000 1.166 189 A HN 0.799 nan 8.150 nan 0.000 0.522 190 E N 2.603 122.851 120.200 0.081 0.000 2.200 190 E HA 0.602 4.963 4.350 0.019 0.000 0.283 190 E C -0.319 176.322 176.600 0.069 0.000 1.015 190 E CA -0.428 56.012 56.400 0.066 0.000 0.819 190 E CB 1.045 30.782 29.700 0.062 0.000 1.081 190 E HN 0.747 nan 8.360 nan 0.000 0.397 191 A N 4.110 126.957 122.820 0.046 0.000 2.413 191 A HA 0.310 4.641 4.320 0.019 0.000 0.307 191 A C 0.182 177.787 177.584 0.035 0.000 1.087 191 A CA -0.645 51.410 52.037 0.031 0.000 0.750 191 A CB 1.427 20.415 19.000 -0.020 0.000 1.296 191 A HN 0.860 nan 8.150 nan 0.000 0.423 192 E N 0.273 120.501 120.200 0.046 0.000 2.230 192 E HA 0.032 4.393 4.350 0.019 0.000 0.192 192 E C -0.178 176.414 176.600 -0.013 0.000 0.987 192 E CA 0.631 57.066 56.400 0.059 0.000 0.841 192 E CB 0.450 30.244 29.700 0.156 0.000 0.783 192 E HN 0.655 nan 8.360 nan 0.000 0.481 193 E N 0.689 120.831 120.200 -0.096 0.000 2.275 193 E HA 0.365 4.726 4.350 0.019 0.000 0.270 193 E C -1.218 175.303 176.600 -0.131 0.000 0.882 193 E CA -0.417 55.900 56.400 -0.139 0.000 0.758 193 E CB 2.077 31.622 29.700 -0.257 0.000 1.195 193 E HN -0.014 nan 8.360 nan 0.000 0.419 194 I N 4.170 124.685 120.570 -0.092 0.000 2.354 194 I HA 0.223 4.404 4.170 0.019 0.000 0.286 194 I C 0.359 176.425 176.117 -0.084 0.000 1.007 194 I CA -0.819 60.433 61.300 -0.079 0.000 1.167 194 I CB 1.198 39.172 38.000 -0.044 0.000 1.320 194 I HN 0.219 nan 8.210 nan 0.000 0.458 195 V N 2.167 122.020 119.914 -0.101 0.000 3.211 195 V HA 0.529 4.661 4.120 0.019 0.000 0.319 195 V C 0.104 176.158 176.094 -0.067 0.000 1.096 195 V CA -0.744 61.502 62.300 -0.090 0.000 1.029 195 V CB 1.378 33.134 31.823 -0.113 0.000 1.137 195 V HN 0.642 nan 8.190 nan 0.000 0.453 196 E N 1.124 121.290 120.200 -0.056 0.000 2.366 196 E HA 0.518 4.879 4.350 0.019 0.000 0.266 196 E C 0.146 176.717 176.600 -0.048 0.000 1.051 196 E CA -0.211 56.162 56.400 -0.045 0.000 0.884 196 E CB 1.284 30.962 29.700 -0.037 0.000 1.006 196 E HN 1.070 nan 8.360 nan 0.000 0.417 197 A N 1.928 124.722 122.820 -0.043 0.000 2.515 197 A HA 0.374 4.705 4.320 0.019 0.000 0.263 197 A C 1.105 178.663 177.584 -0.043 0.000 1.096 197 A CA 0.862 52.872 52.037 -0.044 0.000 0.769 197 A CB -0.642 18.334 19.000 -0.039 0.000 1.040 197 A HN 0.811 nan 8.150 nan 0.000 0.505 198 G N 1.682 110.453 108.800 -0.048 0.000 2.336 198 G HA2 -0.152 3.819 3.960 0.019 0.000 0.194 198 G HA3 -0.152 3.819 3.960 0.019 0.000 0.194 198 G C 0.676 175.547 174.900 -0.048 0.000 0.999 198 G CA 0.353 45.426 45.100 -0.047 0.000 0.669 198 G HN 0.572 nan 8.290 nan 0.000 0.482 199 E N 0.172 120.341 120.200 -0.052 0.000 2.358 199 E HA 0.156 4.517 4.350 0.019 0.000 0.195 199 E C 1.089 177.660 176.600 -0.048 0.000 1.010 199 E CA 0.348 56.717 56.400 -0.051 0.000 0.856 199 E CB 0.079 29.741 29.700 -0.063 0.000 0.795 199 E HN 0.592 nan 8.360 nan 0.000 0.504 200 L N 2.272 123.461 121.223 -0.056 0.000 2.260 200 L HA 0.192 4.543 4.340 0.019 0.000 0.289 200 L C 0.606 177.435 176.870 -0.068 0.000 1.057 200 L CA -0.600 54.214 54.840 -0.043 0.000 0.811 200 L CB 0.836 42.860 42.059 -0.059 0.000 1.184 200 L HN -0.166 nan 8.230 nan 0.000 0.429 201 D N 5.539 125.880 120.400 -0.099 0.000 2.493 201 D HA -0.006 4.645 4.640 0.019 0.000 0.240 201 D C -1.679 174.484 176.300 -0.229 0.000 1.142 201 D CA -1.039 52.791 54.000 -0.283 0.000 0.872 201 D CB 1.796 42.124 40.800 -0.787 0.000 1.173 201 D HN 0.281 nan 8.370 nan 0.000 0.467 202 P HA -0.065 nan 4.420 nan 0.000 0.220 202 P C 0.529 177.769 177.300 -0.099 0.000 1.148 202 P CA 0.717 63.753 63.100 -0.106 0.000 0.803 202 P CB 0.326 31.975 31.700 -0.085 0.000 0.782 203 D N -2.322 117.981 120.400 -0.161 0.000 2.349 203 D HA -0.055 4.597 4.640 0.019 0.000 0.224 203 D C 1.277 177.579 176.300 0.003 0.000 1.029 203 D CA 0.697 54.642 54.000 -0.091 0.000 0.879 203 D CB 0.011 40.756 40.800 -0.092 0.000 0.906 203 D HN 0.292 nan 8.370 nan 0.000 0.528 204 H N 0.126 119.153 119.070 -0.072 0.000 2.439 204 H HA 0.202 4.769 4.556 0.019 0.000 0.299 204 H C 0.968 176.127 175.328 -0.281 0.000 1.033 204 H CA -0.188 55.778 56.048 -0.136 0.000 1.348 204 H CB 0.255 29.957 29.762 -0.100 0.000 1.449 204 H HN 0.076 nan 8.280 nan 0.000 0.544 205 I N 2.613 123.145 120.570 -0.063 0.000 3.114 205 I HA -0.255 3.927 4.170 0.019 0.000 0.320 205 I C 1.151 177.231 176.117 -0.063 0.000 1.230 205 I CA 0.949 62.193 61.300 -0.094 0.000 1.440 205 I CB 0.249 38.232 38.000 -0.028 0.000 1.334 205 I HN 0.367 nan 8.210 nan 0.000 0.532 206 H N 2.476 121.637 119.070 0.152 0.000 2.451 206 H HA 0.019 4.586 4.556 0.019 0.000 0.294 206 H C 0.949 176.433 175.328 0.260 0.000 1.028 206 H CA 0.777 56.965 56.048 0.234 0.000 1.349 206 H CB 0.442 30.450 29.762 0.411 0.000 1.444 206 H HN 0.669 nan 8.280 nan 0.000 0.538 207 T N 0.902 115.682 114.554 0.377 0.000 2.833 207 T HA 0.258 4.619 4.350 0.019 0.000 0.297 207 T C -3.001 171.841 174.700 0.237 0.000 1.015 207 T CA -2.607 59.705 62.100 0.353 0.000 0.963 207 T CB 1.523 70.644 68.868 0.422 0.000 0.955 207 T HN -0.142 nan 8.240 nan 0.000 0.449 208 P HA 0.119 nan 4.420 nan 0.000 0.265 208 P C 1.431 178.742 177.300 0.018 0.000 1.187 208 P CA 0.164 63.296 63.100 0.053 0.000 0.766 208 P CB 0.307 31.986 31.700 -0.034 0.000 0.820 209 G N 2.932 111.718 108.800 -0.023 0.000 2.503 209 G HA2 -0.323 3.648 3.960 0.019 0.000 0.221 209 G HA3 -0.323 3.648 3.960 0.019 0.000 0.221 209 G C 1.395 176.252 174.900 -0.072 0.000 1.131 209 G CA 0.518 45.599 45.100 -0.033 0.000 0.756 209 G HN 0.591 nan 8.290 nan 0.000 0.572 210 I N -0.832 119.635 120.570 -0.173 0.000 2.315 210 I HA -0.245 3.936 4.170 0.019 0.000 0.251 210 I C 2.024 178.025 176.117 -0.193 0.000 1.125 210 I CA 1.256 62.414 61.300 -0.237 0.000 1.392 210 I CB 0.025 37.809 38.000 -0.359 0.000 1.065 210 I HN 0.252 nan 8.210 nan 0.000 0.424 211 Y N -0.145 120.163 120.300 0.014 0.000 2.544 211 Y HA 0.182 4.744 4.550 0.019 0.000 0.286 211 Y C 0.618 176.533 175.900 0.025 0.000 1.141 211 Y CA -0.034 58.081 58.100 0.025 0.000 1.299 211 Y CB -0.245 38.244 38.460 0.048 0.000 1.030 211 Y HN -0.136 nan 8.280 nan 0.000 0.543 212 V N 2.223 122.217 119.914 0.133 0.000 2.409 212 V HA 0.171 4.302 4.120 0.019 0.000 0.291 212 V C 0.248 176.340 176.094 -0.004 0.000 1.020 212 V CA -0.687 61.666 62.300 0.087 0.000 0.848 212 V CB 1.865 33.739 31.823 0.085 0.000 0.990 212 V HN 0.134 nan 8.190 nan 0.000 0.430 213 Q N 3.147 122.920 119.800 -0.045 0.000 2.392 213 Q HA 0.275 4.627 4.340 0.019 0.000 0.219 213 Q C 0.341 176.007 176.000 -0.556 0.000 0.895 213 Q CA 0.679 56.328 55.803 -0.257 0.000 0.929 213 Q CB 0.790 29.370 28.738 -0.264 0.000 1.077 213 Q HN 0.797 nan 8.270 nan 0.000 0.532 214 H N -0.583 118.508 119.070 0.034 0.000 2.946 214 H HA 0.721 5.288 4.556 0.019 0.000 0.365 214 H C -0.973 174.372 175.328 0.028 0.000 1.197 214 H CA -0.896 55.169 56.048 0.027 0.000 1.131 214 H CB 2.391 32.169 29.762 0.027 0.000 1.849 214 H HN -0.196 nan 8.280 nan 0.000 0.555 215 V N 1.686 121.693 119.914 0.155 0.000 2.851 215 V HA 0.353 4.485 4.120 0.019 0.000 0.307 215 V C -0.369 175.764 176.094 0.065 0.000 1.129 215 V CA -0.856 61.494 62.300 0.083 0.000 0.932 215 V CB 2.177 34.026 31.823 0.042 0.000 1.024 215 V HN 0.642 nan 8.190 nan 0.000 0.426 216 V N 2.273 122.217 119.914 0.050 0.000 3.040 216 V HA 0.789 4.921 4.120 0.019 0.000 0.312 216 V C -0.904 175.207 176.094 0.028 0.000 1.115 216 V CA -1.152 61.169 62.300 0.036 0.000 0.998 216 V CB 2.066 33.909 31.823 0.033 0.000 1.042 216 V HN 0.687 nan 8.190 nan 0.000 0.433 217 L N 2.795 124.032 121.223 0.023 0.000 2.305 217 L HA 0.886 5.237 4.340 0.019 0.000 0.281 217 L C 0.544 177.435 176.870 0.035 0.000 1.085 217 L CA 1.191 56.044 54.840 0.022 0.000 0.813 217 L CB 0.685 42.753 42.059 0.016 0.000 1.157 217 L HN 1.160 nan 8.230 nan 0.000 0.436 218 G N 2.869 111.696 108.800 0.045 0.000 3.251 218 G HA2 0.791 4.763 3.960 0.019 0.000 0.248 218 G HA3 0.791 4.763 3.960 0.019 0.000 0.248 218 G C -1.584 173.361 174.900 0.075 0.000 1.320 218 G CA -0.299 44.839 45.100 0.062 0.000 0.982 218 G HN 0.911 nan 8.290 nan 0.000 0.575 219 A N -0.940 121.938 122.820 0.097 0.000 2.312 219 A HA 0.643 4.974 4.320 0.019 0.000 0.328 219 A C 0.822 178.477 177.584 0.117 0.000 1.158 219 A CA 0.320 52.419 52.037 0.104 0.000 0.821 219 A CB 1.535 20.609 19.000 0.124 0.000 1.170 219 A HN 1.491 nan 8.150 nan 0.000 0.490 220 S N 0.220 115.985 115.700 0.107 0.000 2.589 220 S HA 0.031 4.513 4.470 0.019 0.000 0.235 220 S C 0.978 175.639 174.600 0.100 0.000 1.051 220 S CA 0.129 58.401 58.200 0.121 0.000 0.978 220 S CB -0.058 63.217 63.200 0.126 0.000 0.929 220 S HN 0.716 nan 8.310 nan 0.000 0.523 221 Q N 1.273 121.122 119.800 0.083 0.000 2.398 221 Q HA 0.114 4.465 4.340 0.019 0.000 0.204 221 Q C 1.284 177.316 176.000 0.053 0.000 0.932 221 Q CA 1.113 56.953 55.803 0.062 0.000 0.916 221 Q CB 0.037 28.804 28.738 0.049 0.000 1.024 221 Q HN 0.929 nan 8.270 nan 0.000 0.504 222 E N 0.097 120.337 120.200 0.067 0.000 2.758 222 E HA 0.144 4.505 4.350 0.019 0.000 0.215 222 E C -0.589 176.045 176.600 0.057 0.000 0.985 222 E CA -0.333 56.092 56.400 0.042 0.000 1.102 222 E CB 0.332 30.052 29.700 0.034 0.000 1.042 222 E HN -0.084 nan 8.360 nan 0.000 0.480 223 K N 2.266 122.719 120.400 0.089 0.000 2.473 223 K HA -0.003 4.328 4.320 0.019 0.000 0.277 223 K C 0.057 176.705 176.600 0.081 0.000 1.052 223 K CA 0.200 56.559 56.287 0.120 0.000 1.114 223 K CB 0.568 33.132 32.500 0.107 0.000 0.869 223 K HN 0.180 nan 8.250 nan 0.000 0.481 224 R N 3.700 124.265 120.500 0.108 0.000 2.316 224 R HA 0.114 4.466 4.340 0.019 0.000 0.314 224 R C -0.248 176.099 176.300 0.079 0.000 1.069 224 R CA -0.248 55.880 56.100 0.046 0.000 0.959 224 R CB 0.286 30.590 30.300 0.007 0.000 0.987 224 R HN 0.472 nan 8.270 nan 0.000 0.446 225 I N 4.196 124.791 120.570 0.042 0.000 2.312 225 I HA -0.002 4.179 4.170 0.019 0.000 0.291 225 I C 1.478 177.617 176.117 0.037 0.000 1.031 225 I CA 0.027 61.353 61.300 0.044 0.000 1.293 225 I CB 1.572 39.590 38.000 0.029 0.000 1.403 225 I HN 0.760 nan 8.210 nan 0.000 0.484 226 E N 6.897 127.128 120.200 0.051 0.000 2.012 226 E HA -0.131 4.231 4.350 0.019 0.000 0.197 226 E C -0.038 176.578 176.600 0.026 0.000 1.007 226 E CA 1.416 57.841 56.400 0.042 0.000 0.816 226 E CB 0.365 30.092 29.700 0.045 0.000 0.762 226 E HN 0.488 nan 8.360 nan 0.000 0.451 227 K N 0.328 120.744 120.400 0.027 0.000 2.376 227 K HA 0.354 4.685 4.320 0.019 0.000 0.257 227 K C -0.703 175.908 176.600 0.018 0.000 0.939 227 K CA -0.655 55.643 56.287 0.019 0.000 0.809 227 K CB 2.190 34.701 32.500 0.018 0.000 1.121 227 K HN -0.041 nan 8.250 nan 0.000 0.425 228 R N 2.430 122.937 120.500 0.012 0.000 2.423 228 R HA 0.120 4.471 4.340 0.019 0.000 0.293 228 R C -0.856 175.448 176.300 0.007 0.000 1.196 228 R CA -0.221 55.885 56.100 0.010 0.000 1.262 228 R CB 0.301 30.604 30.300 0.006 0.000 1.116 228 R HN 0.735 nan 8.270 nan 0.000 0.566 229 T N 0.909 115.468 114.554 0.008 0.000 2.767 229 T HA 0.490 4.851 4.350 0.019 0.000 0.288 229 T C 0.347 175.049 174.700 0.003 0.000 0.963 229 T CA -0.638 61.465 62.100 0.005 0.000 1.019 229 T CB 1.436 70.308 68.868 0.006 0.000 0.923 229 T HN 0.270 nan 8.240 nan 0.000 0.468 230 V N 0.795 120.710 119.914 0.001 0.000 3.160 230 V HA 0.840 4.971 4.120 0.019 0.000 0.310 230 V C -1.037 175.056 176.094 -0.001 0.000 1.181 230 V CA -1.438 60.862 62.300 -0.000 0.000 1.047 230 V CB 1.838 33.660 31.823 -0.000 0.000 1.068 230 V HN 1.150 nan 8.190 nan 0.000 0.441 231 Q N 1.156 120.955 119.800 -0.002 0.000 2.458 231 Q HA 0.846 5.197 4.340 0.019 0.000 0.282 231 Q C -1.072 174.927 176.000 -0.002 0.000 1.106 231 Q CA -0.899 54.903 55.803 -0.002 0.000 0.814 231 Q CB 2.612 31.348 28.738 -0.003 0.000 1.425 231 Q HN 1.003 nan 8.270 nan 0.000 0.437 232 Q N 0.000 119.799 119.800 -0.002 0.000 2.315 232 Q HA 0.000 4.351 4.340 0.019 0.000 0.214 232 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 232 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 232 Q HN 0.000 nan 8.270 nan 0.000 0.481