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 2j7p_1_A DATA FIRST_RESID 3 DATA SEQUENCE QQLSARLQEA IGRLRGRGRI TEEDLKATLR EIRRALMDAD VNLEVARDFV DATA SEQUENCE ERVREEALGK QVLESLTPAE VILATVYEAL KEALGGEARL PVLKDRNLWF DATA SEQUENCE LVGLQGSGKT TTAAKLALYY KGKGRRPLLV AADTQRPAAR EQLRLLGEKV DATA SEQUENCE GVPVLEVMDG ESPESIRRRV EEKARLEARD LILVDTAGRL QIDEPLMGEL DATA SEQUENCE ARLKEVLGPD EVLLVLDAMT GQEALSVARA FDEKVGVTGL VLTKLDGDAR DATA SEQUENCE GGAALSARHV TGKPIYFAGV SEKPEGLEPF YPERLAGRIL GM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.983 176.000 -0.029 0.000 1.003 3 Q CA 0.000 55.778 55.803 -0.042 0.000 1.022 3 Q CB 0.000 28.698 28.738 -0.067 0.000 1.108 4 Q N 3.795 123.581 119.800 -0.022 0.000 2.304 4 Q HA 0.587 4.927 4.340 0.000 0.000 0.260 4 Q C -0.987 175.009 176.000 -0.007 0.000 0.965 4 Q CA -0.265 55.531 55.803 -0.012 0.000 0.898 4 Q CB 1.131 29.864 28.738 -0.009 0.000 1.196 4 Q HN 0.599 nan 8.270 nan 0.000 0.402 5 L N 1.756 122.980 121.223 0.000 0.000 2.347 5 L HA 0.466 4.806 4.340 0.000 0.000 0.268 5 L C 0.363 177.240 176.870 0.011 0.000 1.019 5 L CA -1.160 53.686 54.840 0.010 0.000 0.806 5 L CB 1.637 43.705 42.059 0.016 0.000 1.339 5 L HN 0.966 nan 8.230 nan 0.000 0.463 6 S N -0.106 115.603 115.700 0.015 0.000 2.569 6 S HA 0.077 4.547 4.470 0.000 0.000 0.274 6 S C 1.094 175.701 174.600 0.010 0.000 1.353 6 S CA -0.047 58.161 58.200 0.012 0.000 1.023 6 S CB 0.894 64.102 63.200 0.013 0.000 0.876 6 S HN 0.706 nan 8.310 nan 0.000 0.540 7 A N 1.875 124.700 122.820 0.008 0.000 1.917 7 A HA -0.173 4.147 4.320 0.000 0.000 0.219 7 A C 2.322 179.911 177.584 0.009 0.000 1.182 7 A CA 1.866 53.907 52.037 0.007 0.000 0.633 7 A CB -0.912 18.091 19.000 0.006 0.000 0.819 7 A HN 0.959 nan 8.150 nan 0.000 0.448 8 R N -0.405 120.101 120.500 0.010 0.000 2.073 8 R HA -0.049 4.291 4.340 0.000 0.000 0.234 8 R C 1.966 178.275 176.300 0.015 0.000 1.134 8 R CA 1.628 57.735 56.100 0.011 0.000 0.952 8 R CB -0.364 29.942 30.300 0.011 0.000 0.850 8 R HN 0.528 nan 8.270 nan 0.000 0.433 9 L N 0.475 121.709 121.223 0.018 0.000 2.156 9 L HA -0.121 4.219 4.340 0.000 0.000 0.208 9 L C 2.690 179.571 176.870 0.019 0.000 1.095 9 L CA 0.754 55.608 54.840 0.024 0.000 0.770 9 L CB -0.444 41.633 42.059 0.031 0.000 0.914 9 L HN 0.287 nan 8.230 nan 0.000 0.439 10 Q N 0.048 119.857 119.800 0.014 0.000 2.084 10 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 10 Q C 2.050 178.055 176.000 0.009 0.000 0.978 10 Q CA 1.683 57.491 55.803 0.009 0.000 0.844 10 Q CB -0.015 28.726 28.738 0.006 0.000 0.898 10 Q HN 0.428 nan 8.270 nan 0.000 0.426 11 E N 0.466 120.672 120.200 0.009 0.000 2.028 11 E HA -0.081 4.269 4.350 0.000 0.000 0.191 11 E C 1.804 178.411 176.600 0.010 0.000 0.988 11 E CA 1.448 57.853 56.400 0.009 0.000 0.799 11 E CB -0.333 29.372 29.700 0.008 0.000 0.755 11 E HN 0.246 nan 8.360 nan 0.000 0.447 12 A N 0.993 123.821 122.820 0.014 0.000 1.883 12 A HA -0.163 4.157 4.320 0.000 0.000 0.217 12 A C 2.253 179.847 177.584 0.016 0.000 1.186 12 A CA 1.772 53.819 52.037 0.016 0.000 0.624 12 A CB -0.670 18.343 19.000 0.021 0.000 0.822 12 A HN 0.369 nan 8.150 nan 0.000 0.444 13 I N -0.437 120.144 120.570 0.018 0.000 2.277 13 I HA -0.118 4.052 4.170 0.000 0.000 0.243 13 I C 2.782 178.905 176.117 0.010 0.000 1.094 13 I CA 1.461 62.771 61.300 0.016 0.000 1.393 13 I CB -2.008 36.004 38.000 0.019 0.000 1.078 13 I HN 0.360 nan 8.210 nan 0.000 0.417 14 G N 2.313 111.118 108.800 0.008 0.000 2.469 14 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 14 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 14 G C 1.652 176.555 174.900 0.005 0.000 1.136 14 G CA 0.917 46.020 45.100 0.005 0.000 0.759 14 G HN 0.537 nan 8.290 nan 0.000 0.562 15 R N 0.091 120.595 120.500 0.006 0.000 2.339 15 R HA 0.251 4.591 4.340 0.000 0.000 0.199 15 R C 1.717 178.020 176.300 0.005 0.000 1.018 15 R CA 0.642 56.745 56.100 0.005 0.000 1.036 15 R CB -0.322 29.982 30.300 0.006 0.000 0.899 15 R HN 0.398 nan 8.270 nan 0.000 0.473 16 L N 0.123 121.350 121.223 0.006 0.000 2.556 16 L HA 0.241 4.581 4.340 0.000 0.000 0.226 16 L C 0.748 177.620 176.870 0.004 0.000 1.089 16 L CA -0.249 54.595 54.840 0.006 0.000 0.864 16 L CB 0.090 42.154 42.059 0.008 0.000 1.067 16 L HN 0.069 nan 8.230 nan 0.000 0.477 17 R N 0.547 121.049 120.500 0.003 0.000 2.543 17 R HA 0.231 4.571 4.340 0.000 0.000 0.277 17 R C 1.066 177.367 176.300 0.001 0.000 1.074 17 R CA 0.704 56.805 56.100 0.002 0.000 1.076 17 R CB 0.344 30.644 30.300 0.001 0.000 0.993 17 R HN 0.249 nan 8.270 nan 0.000 0.459 18 G N 2.199 110.999 108.800 0.000 0.000 2.166 18 G HA2 -0.339 3.621 3.960 0.000 0.000 0.260 18 G HA3 -0.339 3.621 3.960 0.000 0.000 0.260 18 G C 0.656 175.556 174.900 0.000 0.000 0.986 18 G CA 0.318 45.418 45.100 -0.000 0.000 0.683 18 G HN 0.641 nan 8.290 nan 0.000 0.527 19 R N 0.075 120.575 120.500 0.001 0.000 2.468 19 R HA 0.409 4.749 4.340 0.000 0.000 0.280 19 R C 1.727 178.028 176.300 0.001 0.000 0.963 19 R CA 0.498 56.598 56.100 0.001 0.000 1.083 19 R CB 0.222 30.523 30.300 0.002 0.000 1.200 19 R HN 1.199 nan 8.270 nan 0.000 0.541 20 G N 2.158 110.958 108.800 0.001 0.000 2.564 20 G HA2 -0.361 3.599 3.960 0.000 0.000 0.273 20 G HA3 -0.361 3.599 3.960 0.000 0.000 0.273 20 G C -0.402 174.499 174.900 0.001 0.000 1.242 20 G CA -0.376 44.724 45.100 0.001 0.000 0.951 20 G HN 0.350 nan 8.290 nan 0.000 0.564 21 R N 0.273 120.773 120.500 0.001 0.000 2.590 21 R HA 0.433 4.773 4.340 0.000 0.000 0.274 21 R C 0.803 177.104 176.300 0.002 0.000 1.061 21 R CA 0.689 56.790 56.100 0.001 0.000 1.081 21 R CB 0.176 30.476 30.300 0.001 0.000 0.984 21 R HN 0.674 nan 8.270 nan 0.000 0.448 22 I N -1.938 118.633 120.570 0.002 0.000 2.648 22 I HA 0.420 4.590 4.170 0.000 0.000 0.304 22 I C 0.563 176.682 176.117 0.002 0.000 1.009 22 I CA -1.083 60.218 61.300 0.002 0.000 1.114 22 I CB 1.992 39.994 38.000 0.003 0.000 1.293 22 I HN 0.536 nan 8.210 nan 0.000 0.449 23 T N -0.461 114.094 114.554 0.002 0.000 2.802 23 T HA 0.095 4.445 4.350 0.000 0.000 0.305 23 T C 0.843 175.544 174.700 0.002 0.000 1.053 23 T CA 0.110 62.211 62.100 0.002 0.000 1.058 23 T CB 1.247 70.116 68.868 0.002 0.000 0.988 23 T HN 0.880 nan 8.240 nan 0.000 0.539 24 E N 0.383 120.584 120.200 0.001 0.000 2.204 24 E HA -0.146 4.204 4.350 0.000 0.000 0.195 24 E C 1.821 178.422 176.600 0.002 0.000 0.990 24 E CA 1.436 57.837 56.400 0.001 0.000 0.821 24 E CB -0.297 29.403 29.700 0.001 0.000 0.750 24 E HN 0.807 nan 8.360 nan 0.000 0.477 25 E N 0.245 120.446 120.200 0.003 0.000 2.106 25 E HA -0.124 4.226 4.350 0.000 0.000 0.192 25 E C 1.571 178.174 176.600 0.005 0.000 0.984 25 E CA 1.253 57.655 56.400 0.004 0.000 0.806 25 E CB -0.094 29.608 29.700 0.003 0.000 0.750 25 E HN 0.275 nan 8.360 nan 0.000 0.458 26 D N -0.201 120.202 120.400 0.005 0.000 2.144 26 D HA -0.105 4.535 4.640 0.000 0.000 0.200 26 D C 1.838 178.142 176.300 0.007 0.000 0.978 26 D CA 0.428 54.431 54.000 0.006 0.000 0.833 26 D CB -0.034 40.769 40.800 0.005 0.000 0.961 26 D HN 0.088 nan 8.370 nan 0.000 0.470 27 L N 1.275 122.502 121.223 0.006 0.000 2.017 27 L HA -0.112 4.228 4.340 0.000 0.000 0.208 27 L C 2.039 178.913 176.870 0.008 0.000 1.073 27 L CA 1.809 56.653 54.840 0.006 0.000 0.745 27 L CB -0.381 41.680 42.059 0.003 0.000 0.894 27 L HN -0.166 nan 8.230 nan 0.000 0.432 28 K N -0.806 119.598 120.400 0.006 0.000 2.097 28 K HA -0.107 4.214 4.320 0.000 0.000 0.205 28 K C 1.990 178.596 176.600 0.010 0.000 1.050 28 K CA 1.060 57.352 56.287 0.007 0.000 0.938 28 K CB -0.167 32.336 32.500 0.005 0.000 0.718 28 K HN 0.465 nan 8.250 nan 0.000 0.442 29 A N 0.577 123.403 122.820 0.010 0.000 1.902 29 A HA -0.145 4.175 4.320 0.000 0.000 0.217 29 A C 2.135 179.728 177.584 0.015 0.000 1.181 29 A CA 2.187 54.230 52.037 0.011 0.000 0.623 29 A CB -0.945 18.061 19.000 0.009 0.000 0.818 29 A HN 0.393 nan 8.150 nan 0.000 0.443 30 T N 0.527 115.090 114.554 0.016 0.000 2.737 30 T HA -0.066 4.284 4.350 0.000 0.000 0.265 30 T C 1.822 176.538 174.700 0.028 0.000 1.038 30 T CA 1.481 63.593 62.100 0.021 0.000 1.144 30 T CB -0.410 68.469 68.868 0.019 0.000 0.866 30 T HN 0.364 nan 8.240 nan 0.000 0.434 31 L N 0.700 121.939 121.223 0.025 0.000 2.083 31 L HA -0.068 4.272 4.340 0.000 0.000 0.209 31 L C 2.843 179.735 176.870 0.037 0.000 1.083 31 L CA 1.269 56.129 54.840 0.033 0.000 0.752 31 L CB -0.551 41.521 42.059 0.021 0.000 0.899 31 L HN 0.178 nan 8.230 nan 0.000 0.433 32 R N 0.278 120.794 120.500 0.027 0.000 2.073 32 R HA -0.184 4.157 4.340 0.000 0.000 0.234 32 R C 2.176 178.492 176.300 0.026 0.000 1.134 32 R CA 1.480 57.594 56.100 0.024 0.000 0.952 32 R CB -0.082 30.228 30.300 0.017 0.000 0.850 32 R HN 0.267 nan 8.270 nan 0.000 0.433 33 E N 0.693 120.908 120.200 0.026 0.000 2.110 33 E HA -0.185 4.165 4.350 0.000 0.000 0.193 33 E C 2.064 178.684 176.600 0.034 0.000 0.988 33 E CA 1.265 57.680 56.400 0.025 0.000 0.804 33 E CB -0.201 29.513 29.700 0.023 0.000 0.745 33 E HN 0.488 nan 8.360 nan 0.000 0.458 34 I N 0.623 121.222 120.570 0.048 0.000 2.179 34 I HA -0.271 3.899 4.170 0.000 0.000 0.242 34 I C 2.797 178.953 176.117 0.065 0.000 1.088 34 I CA 1.126 62.468 61.300 0.069 0.000 1.357 34 I CB -0.283 37.780 38.000 0.105 0.000 1.051 34 I HN 0.018 nan 8.210 nan 0.000 0.409 35 R N 1.228 121.767 120.500 0.065 0.000 2.083 35 R HA -0.191 4.149 4.340 0.000 0.000 0.237 35 R C 2.502 178.815 176.300 0.022 0.000 1.137 35 R CA 1.652 57.783 56.100 0.052 0.000 0.951 35 R CB -0.126 30.202 30.300 0.047 0.000 0.851 35 R HN 0.289 nan 8.270 nan 0.000 0.434 36 R N -0.113 120.398 120.500 0.019 0.000 2.073 36 R HA -0.077 4.263 4.340 0.000 0.000 0.234 36 R C 2.422 178.724 176.300 0.003 0.000 1.134 36 R CA 1.336 57.441 56.100 0.009 0.000 0.952 36 R CB -0.456 29.850 30.300 0.010 0.000 0.850 36 R HN 0.271 nan 8.270 nan 0.000 0.433 37 A N 1.481 124.306 122.820 0.008 0.000 1.917 37 A HA -0.170 4.150 4.320 0.000 0.000 0.219 37 A C 2.208 179.783 177.584 -0.016 0.000 1.182 37 A CA 1.365 53.403 52.037 0.002 0.000 0.633 37 A CB -0.601 18.407 19.000 0.013 0.000 0.819 37 A HN 0.191 nan 8.150 nan 0.000 0.448 38 L N -1.332 119.875 121.223 -0.027 0.000 2.056 38 L HA -0.180 4.160 4.340 0.000 0.000 0.207 38 L C 2.903 179.739 176.870 -0.057 0.000 1.078 38 L CA 1.405 56.203 54.840 -0.070 0.000 0.749 38 L CB -0.449 41.543 42.059 -0.113 0.000 0.901 38 L HN 0.420 nan 8.230 nan 0.000 0.433 39 M N -0.784 118.795 119.600 -0.036 0.000 2.159 39 M HA -0.230 4.250 4.480 0.000 0.000 0.263 39 M C 1.767 178.053 176.300 -0.022 0.000 1.063 39 M CA 1.480 56.763 55.300 -0.028 0.000 1.110 39 M CB -0.569 32.021 32.600 -0.017 0.000 1.374 39 M HN 0.206 nan 8.290 nan 0.000 0.411 40 D N 0.594 120.985 120.400 -0.016 0.000 2.182 40 D HA -0.083 4.557 4.640 0.000 0.000 0.201 40 D C 1.476 177.767 176.300 -0.014 0.000 0.986 40 D CA 1.252 55.245 54.000 -0.011 0.000 0.847 40 D CB 0.135 40.931 40.800 -0.006 0.000 0.942 40 D HN 0.333 nan 8.370 nan 0.000 0.467 41 A N 0.119 122.926 122.820 -0.023 0.000 2.302 41 A HA 0.026 4.346 4.320 0.000 0.000 0.219 41 A C 0.203 177.769 177.584 -0.030 0.000 1.243 41 A CA 0.202 52.224 52.037 -0.025 0.000 0.856 41 A CB 0.223 19.202 19.000 -0.035 0.000 0.893 41 A HN 0.063 nan 8.150 nan 0.000 0.491 42 D N -1.442 118.941 120.400 -0.030 0.000 3.068 42 D HA -0.126 4.514 4.640 0.000 0.000 0.218 42 D C -0.125 176.150 176.300 -0.042 0.000 1.145 42 D CA 0.911 54.894 54.000 -0.029 0.000 0.896 42 D CB -2.046 38.742 40.800 -0.021 0.000 1.105 42 D HN 0.256 nan 8.370 nan 0.000 0.423 43 V N 1.614 121.492 119.914 -0.059 0.000 2.572 43 V HA 0.018 4.138 4.120 0.000 0.000 0.291 43 V C 1.289 177.344 176.094 -0.065 0.000 1.039 43 V CA -0.405 61.847 62.300 -0.080 0.000 1.055 43 V CB 1.388 33.136 31.823 -0.126 0.000 0.969 43 V HN 0.222 nan 8.190 nan 0.000 0.482 44 N N 3.807 122.468 118.700 -0.065 0.000 2.458 44 N HA 0.017 4.757 4.740 0.000 0.000 0.258 44 N C 1.285 176.762 175.510 -0.055 0.000 1.219 44 N CA -0.151 52.869 53.050 -0.051 0.000 0.902 44 N CB 1.043 39.501 38.487 -0.048 0.000 1.076 44 N HN 0.744 nan 8.380 nan 0.000 0.455 45 L N 2.177 123.378 121.223 -0.036 0.000 2.079 45 L HA -0.124 4.216 4.340 0.000 0.000 0.210 45 L C 1.728 178.578 176.870 -0.033 0.000 1.081 45 L CA 1.306 56.129 54.840 -0.029 0.000 0.752 45 L CB -0.379 41.671 42.059 -0.016 0.000 0.896 45 L HN 0.558 nan 8.230 nan 0.000 0.433 46 E N 0.658 120.835 120.200 -0.039 0.000 2.072 46 E HA -0.144 4.206 4.350 0.000 0.000 0.191 46 E C 2.356 178.899 176.600 -0.094 0.000 0.985 46 E CA 1.419 57.792 56.400 -0.044 0.000 0.801 46 E CB -0.231 29.450 29.700 -0.030 0.000 0.750 46 E HN 0.424 nan 8.360 nan 0.000 0.452 47 V N 1.543 121.362 119.914 -0.158 0.000 2.295 47 V HA -0.293 3.827 4.120 0.000 0.000 0.246 47 V C 2.359 178.374 176.094 -0.132 0.000 1.049 47 V CA 1.871 63.994 62.300 -0.296 0.000 1.024 47 V CB -0.794 30.840 31.823 -0.315 0.000 0.648 47 V HN 0.330 nan 8.190 nan 0.000 0.447 48 A N 0.051 122.826 122.820 -0.075 0.000 1.883 48 A HA -0.293 4.027 4.320 0.000 0.000 0.217 48 A C 2.429 180.047 177.584 0.057 0.000 1.186 48 A CA 2.282 54.312 52.037 -0.011 0.000 0.624 48 A CB -0.625 18.360 19.000 -0.025 0.000 0.822 48 A HN 0.490 nan 8.150 nan 0.000 0.444 49 R N -0.437 120.075 120.500 0.019 0.000 2.073 49 R HA -0.216 4.124 4.340 0.000 0.000 0.234 49 R C 1.973 178.297 176.300 0.040 0.000 1.134 49 R CA 2.122 58.239 56.100 0.028 0.000 0.952 49 R CB -0.491 29.814 30.300 0.009 0.000 0.850 49 R HN 0.565 nan 8.270 nan 0.000 0.433 50 D N -0.397 120.017 120.400 0.024 0.000 2.092 50 D HA -0.234 4.406 4.640 0.000 0.000 0.193 50 D C 1.744 178.088 176.300 0.075 0.000 0.994 50 D CA 1.568 55.591 54.000 0.038 0.000 0.828 50 D CB -0.290 40.521 40.800 0.018 0.000 0.963 50 D HN 0.268 nan 8.370 nan 0.000 0.450 51 F N 0.375 120.298 119.950 -0.046 0.000 2.091 51 F HA -0.225 4.302 4.527 0.000 0.000 0.299 51 F C 2.109 177.904 175.800 -0.009 0.000 1.103 51 F CA 1.446 59.434 58.000 -0.020 0.000 1.228 51 F CB -0.302 38.678 39.000 -0.034 0.000 0.984 51 F HN -0.066 nan 8.300 nan 0.000 0.477 52 V N 0.693 120.690 119.914 0.138 0.000 2.515 52 V HA -0.264 3.856 4.120 0.000 0.000 0.250 52 V C 2.331 178.397 176.094 -0.047 0.000 1.058 52 V CA 1.944 64.265 62.300 0.036 0.000 1.064 52 V CB -0.821 31.070 31.823 0.114 0.000 0.675 52 V HN 0.491 nan 8.190 nan 0.000 0.461 53 E N 0.838 121.024 120.200 -0.024 0.000 2.048 53 E HA -0.312 4.038 4.350 0.000 0.000 0.202 53 E C 2.434 178.991 176.600 -0.072 0.000 1.021 53 E CA 2.003 58.384 56.400 -0.032 0.000 0.825 53 E CB -0.155 29.539 29.700 -0.010 0.000 0.756 53 E HN 0.534 nan 8.360 nan 0.000 0.454 54 R N 0.008 120.439 120.500 -0.115 0.000 2.082 54 R HA -0.146 4.194 4.340 0.000 0.000 0.234 54 R C 2.627 178.808 176.300 -0.197 0.000 1.136 54 R CA 1.658 57.664 56.100 -0.156 0.000 0.935 54 R CB -0.664 29.513 30.300 -0.205 0.000 0.842 54 R HN 0.155 nan 8.270 nan 0.000 0.430 55 V N 1.306 121.032 119.914 -0.315 0.000 2.278 55 V HA -0.346 3.774 4.120 0.000 0.000 0.251 55 V C 2.576 178.596 176.094 -0.124 0.000 1.062 55 V CA 2.141 64.288 62.300 -0.256 0.000 1.038 55 V CB -0.638 31.014 31.823 -0.284 0.000 0.646 55 V HN 0.386 nan 8.190 nan 0.000 0.447 56 R N -0.361 120.084 120.500 -0.092 0.000 2.096 56 R HA -0.210 4.130 4.340 0.000 0.000 0.240 56 R C 2.352 178.624 176.300 -0.047 0.000 1.139 56 R CA 1.948 58.018 56.100 -0.051 0.000 0.952 56 R CB -0.220 30.060 30.300 -0.034 0.000 0.854 56 R HN 0.512 nan 8.270 nan 0.000 0.436 57 E N 0.580 120.747 120.200 -0.055 0.000 2.072 57 E HA -0.180 4.170 4.350 0.000 0.000 0.191 57 E C 1.933 178.507 176.600 -0.043 0.000 0.985 57 E CA 1.333 57.707 56.400 -0.043 0.000 0.801 57 E CB -0.099 29.576 29.700 -0.041 0.000 0.750 57 E HN 0.510 nan 8.360 nan 0.000 0.452 58 E N 0.794 120.959 120.200 -0.059 0.000 2.058 58 E HA -0.166 4.184 4.350 0.000 0.000 0.194 58 E C 2.050 178.629 176.600 -0.036 0.000 0.997 58 E CA 1.137 57.506 56.400 -0.051 0.000 0.801 58 E CB -0.139 29.520 29.700 -0.069 0.000 0.746 58 E HN 0.199 nan 8.360 nan 0.000 0.450 59 A N 1.155 123.953 122.820 -0.037 0.000 1.908 59 A HA -0.174 4.146 4.320 0.000 0.000 0.218 59 A C 2.194 179.769 177.584 -0.016 0.000 1.181 59 A CA 1.133 53.157 52.037 -0.022 0.000 0.627 59 A CB -0.644 18.344 19.000 -0.019 0.000 0.818 59 A HN 0.144 nan 8.150 nan 0.000 0.445 60 L N -0.876 120.335 121.223 -0.019 0.000 2.093 60 L HA -0.109 4.231 4.340 0.000 0.000 0.208 60 L C 2.706 179.569 176.870 -0.012 0.000 1.085 60 L CA 1.013 55.845 54.840 -0.014 0.000 0.755 60 L CB -0.713 41.338 42.059 -0.015 0.000 0.904 60 L HN 0.506 nan 8.230 nan 0.000 0.435 61 G N -0.248 108.543 108.800 -0.015 0.000 2.534 61 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 61 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 61 G C 1.444 176.338 174.900 -0.009 0.000 1.128 61 G CA 0.132 45.225 45.100 -0.012 0.000 0.784 61 G HN 0.309 nan 8.290 nan 0.000 0.542 62 K N 0.538 120.933 120.400 -0.009 0.000 2.469 62 K HA 0.105 4.426 4.320 0.000 0.000 0.201 62 K C 0.406 177.004 176.600 -0.004 0.000 1.028 62 K CA -0.122 56.162 56.287 -0.005 0.000 1.170 62 K CB 0.236 32.733 32.500 -0.004 0.000 0.874 62 K HN 0.191 nan 8.250 nan 0.000 0.507 63 Q N -0.734 119.064 119.800 -0.005 0.000 2.487 63 Q HA -0.202 4.138 4.340 0.000 0.000 0.279 63 Q C 0.914 176.912 176.000 -0.003 0.000 1.228 63 Q CA 0.608 56.409 55.803 -0.004 0.000 0.873 63 Q CB -2.620 26.117 28.738 -0.002 0.000 1.260 63 Q HN 0.289 nan 8.270 nan 0.000 0.471 64 V N 0.117 120.029 119.914 -0.003 0.000 2.453 64 V HA -0.228 3.892 4.120 0.000 0.000 0.252 64 V C 1.854 177.948 176.094 -0.001 0.000 1.068 64 V CA 2.348 64.647 62.300 -0.001 0.000 1.070 64 V CB -0.139 31.683 31.823 -0.002 0.000 0.664 64 V HN 0.548 nan 8.190 nan 0.000 0.461 65 L N -0.620 120.602 121.223 -0.002 0.000 2.558 65 L HA 0.113 4.453 4.340 0.000 0.000 0.225 65 L C 2.242 179.112 176.870 -0.001 0.000 1.128 65 L CA 0.459 55.298 54.840 -0.001 0.000 0.868 65 L CB -0.278 41.780 42.059 -0.001 0.000 1.006 65 L HN 0.304 nan 8.230 nan 0.000 0.454 66 E N -0.586 119.613 120.200 -0.001 0.000 2.364 66 E HA 0.061 4.411 4.350 0.000 0.000 0.196 66 E C 0.905 177.505 176.600 -0.000 0.000 0.990 66 E CA 0.064 56.464 56.400 -0.001 0.000 0.886 66 E CB 0.453 30.153 29.700 -0.001 0.000 0.866 66 E HN 0.137 nan 8.360 nan 0.000 0.493 67 S N 0.684 116.384 115.700 0.000 0.000 2.560 67 S HA 0.087 4.557 4.470 0.000 0.000 0.284 67 S C 1.169 175.770 174.600 0.001 0.000 1.327 67 S CA -0.234 57.966 58.200 0.001 0.000 1.055 67 S CB 0.401 63.601 63.200 0.001 0.000 0.868 67 S HN 0.131 nan 8.310 nan 0.000 0.506 68 L N 3.394 124.617 121.223 0.001 0.000 2.558 68 L HA 0.129 4.469 4.340 0.000 0.000 0.225 68 L C 1.232 178.102 176.870 0.001 0.000 1.128 68 L CA 0.462 55.302 54.840 0.001 0.000 0.868 68 L CB -0.157 41.902 42.059 0.000 0.000 1.006 68 L HN 0.824 nan 8.230 nan 0.000 0.454 69 T N -4.301 110.254 114.554 0.001 0.000 3.438 69 T HA 0.263 4.613 4.350 0.000 0.000 0.244 69 T C -1.822 172.880 174.700 0.003 0.000 1.269 69 T CA -1.378 60.723 62.100 0.002 0.000 1.371 69 T CB 0.465 69.334 68.868 0.001 0.000 1.002 69 T HN -0.104 nan 8.240 nan 0.000 0.637 70 P HA 0.001 nan 4.420 nan 0.000 0.221 70 P C 1.788 179.093 177.300 0.008 0.000 1.150 70 P CA 0.899 64.002 63.100 0.005 0.000 0.800 70 P CB -0.035 31.668 31.700 0.005 0.000 0.787 71 A N 0.854 123.678 122.820 0.008 0.000 1.917 71 A HA -0.222 4.098 4.320 0.000 0.000 0.219 71 A C 2.288 179.879 177.584 0.012 0.000 1.182 71 A CA 1.674 53.717 52.037 0.010 0.000 0.633 71 A CB -1.020 17.984 19.000 0.007 0.000 0.819 71 A HN 0.095 nan 8.150 nan 0.000 0.448 72 E N -0.373 119.832 120.200 0.008 0.000 2.072 72 E HA -0.078 4.272 4.350 0.000 0.000 0.190 72 E C 2.276 178.884 176.600 0.014 0.000 0.982 72 E CA 1.213 57.618 56.400 0.008 0.000 0.803 72 E CB -0.590 29.112 29.700 0.003 0.000 0.755 72 E HN 0.397 nan 8.360 nan 0.000 0.453 73 V N 1.624 121.546 119.914 0.013 0.000 2.295 73 V HA -0.248 3.872 4.120 0.000 0.000 0.246 73 V C 2.442 178.548 176.094 0.020 0.000 1.049 73 V CA 1.497 63.806 62.300 0.014 0.000 1.024 73 V CB -0.445 31.382 31.823 0.008 0.000 0.648 73 V HN 0.167 nan 8.190 nan 0.000 0.447 74 I N -0.789 119.793 120.570 0.021 0.000 2.202 74 I HA -0.224 3.946 4.170 0.000 0.000 0.242 74 I C 2.360 178.506 176.117 0.049 0.000 1.091 74 I CA 1.273 62.590 61.300 0.028 0.000 1.368 74 I CB -0.394 37.622 38.000 0.026 0.000 1.058 74 I HN 0.283 nan 8.210 nan 0.000 0.410 75 L N 1.151 122.405 121.223 0.050 0.000 2.012 75 L HA -0.189 4.151 4.340 0.000 0.000 0.210 75 L C 2.551 179.483 176.870 0.103 0.000 1.073 75 L CA 2.255 57.138 54.840 0.070 0.000 0.748 75 L CB -0.971 41.112 42.059 0.040 0.000 0.891 75 L HN 0.224 nan 8.230 nan 0.000 0.431 76 A N -1.753 121.113 122.820 0.077 0.000 1.908 76 A HA -0.219 4.101 4.320 0.000 0.000 0.218 76 A C 2.252 179.907 177.584 0.119 0.000 1.181 76 A CA 2.370 54.468 52.037 0.101 0.000 0.627 76 A CB -1.233 17.803 19.000 0.060 0.000 0.818 76 A HN 0.530 nan 8.150 nan 0.000 0.445 77 T N -0.360 114.236 114.554 0.071 0.000 2.746 77 T HA -0.122 4.228 4.350 0.000 0.000 0.267 77 T C 1.885 176.619 174.700 0.057 0.000 1.039 77 T CA 1.610 63.733 62.100 0.038 0.000 1.142 77 T CB -0.460 68.407 68.868 -0.002 0.000 0.866 77 T HN 0.162 nan 8.240 nan 0.000 0.444 78 V N 0.382 120.362 119.914 0.110 0.000 2.270 78 V HA -0.162 3.958 4.120 0.000 0.000 0.245 78 V C 2.019 178.271 176.094 0.264 0.000 1.043 78 V CA 1.651 64.074 62.300 0.204 0.000 1.014 78 V CB -0.734 31.222 31.823 0.221 0.000 0.645 78 V HN 0.473 nan 8.190 nan 0.000 0.447 79 Y N 1.242 121.611 120.300 0.115 0.000 2.097 79 Y HA -0.240 4.310 4.550 0.000 0.000 0.282 79 Y C 2.684 178.642 175.900 0.097 0.000 1.152 79 Y CA 2.137 60.293 58.100 0.094 0.000 1.136 79 Y CB -0.199 38.292 38.460 0.052 0.000 0.975 79 Y HN 0.223 nan 8.280 nan 0.000 0.498 80 E N 0.230 120.480 120.200 0.083 0.000 2.110 80 E HA -0.188 4.162 4.350 0.000 0.000 0.193 80 E C 2.393 178.973 176.600 -0.034 0.000 0.988 80 E CA 1.128 57.521 56.400 -0.011 0.000 0.804 80 E CB -0.732 29.017 29.700 0.081 0.000 0.745 80 E HN 0.585 nan 8.360 nan 0.000 0.458 81 A N 0.961 123.798 122.820 0.029 0.000 1.933 81 A HA -0.142 4.178 4.320 0.000 0.000 0.218 81 A C 2.208 179.941 177.584 0.249 0.000 1.175 81 A CA 1.109 53.181 52.037 0.059 0.000 0.628 81 A CB -0.415 18.510 19.000 -0.124 0.000 0.814 81 A HN 0.226 nan 8.150 nan 0.000 0.444 82 L N -0.126 121.250 121.223 0.254 0.000 2.068 82 L HA -0.013 4.327 4.340 0.000 0.000 0.204 82 L C 2.267 179.108 176.870 -0.049 0.000 1.076 82 L CA 2.484 57.401 54.840 0.129 0.000 0.753 82 L CB -0.640 41.412 42.059 -0.011 0.000 0.910 82 L HN 0.442 nan 8.230 nan 0.000 0.439 83 K N -0.607 119.653 120.400 -0.233 0.000 2.089 83 K HA -0.302 4.018 4.320 0.000 0.000 0.210 83 K C 2.110 178.665 176.600 -0.076 0.000 1.048 83 K CA 2.022 58.170 56.287 -0.232 0.000 0.926 83 K CB -0.134 32.129 32.500 -0.396 0.000 0.714 83 K HN 0.346 nan 8.250 nan 0.000 0.448 84 E N 0.321 120.500 120.200 -0.036 0.000 2.047 84 E HA -0.087 4.263 4.350 0.000 0.000 0.191 84 E C 1.644 178.267 176.600 0.039 0.000 0.987 84 E CA 1.595 57.998 56.400 0.006 0.000 0.799 84 E CB -0.307 29.400 29.700 0.011 0.000 0.752 84 E HN 0.397 nan 8.360 nan 0.000 0.449 85 A N 0.140 123.010 122.820 0.083 0.000 2.067 85 A HA -0.052 4.268 4.320 0.000 0.000 0.219 85 A C 2.079 179.707 177.584 0.073 0.000 1.158 85 A CA 1.024 53.125 52.037 0.108 0.000 0.661 85 A CB -0.480 18.644 19.000 0.208 0.000 0.801 85 A HN 0.341 nan 8.150 nan 0.000 0.452 86 L N -2.006 119.258 121.223 0.067 0.000 2.558 86 L HA 0.230 4.570 4.340 0.000 0.000 0.225 86 L C 1.699 178.655 176.870 0.144 0.000 1.128 86 L CA 0.667 55.576 54.840 0.114 0.000 0.868 86 L CB 0.190 42.345 42.059 0.160 0.000 1.006 86 L HN 0.561 nan 8.230 nan 0.000 0.454 87 G N -2.068 106.775 108.800 0.072 0.000 2.551 87 G HA2 -0.028 3.932 3.960 0.000 0.000 0.186 87 G HA3 -0.028 3.932 3.960 0.000 0.000 0.186 87 G C 0.828 175.745 174.900 0.029 0.000 1.002 87 G CA -0.301 44.831 45.100 0.053 0.000 0.723 87 G HN 0.419 nan 8.290 nan 0.000 0.481 88 G N -0.027 108.783 108.800 0.016 0.000 5.353 88 G HA2 -0.225 3.735 3.960 0.000 0.000 0.283 88 G HA3 -0.225 3.735 3.960 0.000 0.000 0.283 88 G C 0.084 174.986 174.900 0.004 0.000 1.457 88 G CA 1.065 46.166 45.100 0.002 0.000 0.951 88 G HN 1.129 nan 8.290 nan 0.000 0.731 89 E N 0.835 121.044 120.200 0.015 0.000 2.320 89 E HA 0.677 5.027 4.350 0.000 0.000 0.264 89 E C 0.436 177.041 176.600 0.008 0.000 0.923 89 E CA -0.129 56.286 56.400 0.025 0.000 0.796 89 E CB 1.634 31.356 29.700 0.036 0.000 1.262 89 E HN 1.131 nan 8.360 nan 0.000 0.428 90 A N 1.395 124.214 122.820 -0.001 0.000 2.531 90 A HA 0.261 4.581 4.320 0.000 0.000 0.236 90 A C 0.228 177.783 177.584 -0.048 0.000 1.062 90 A CA 0.462 52.435 52.037 -0.107 0.000 0.760 90 A CB 0.103 18.954 19.000 -0.248 0.000 0.995 90 A HN 0.504 nan 8.150 nan 0.000 0.501 91 R N 1.920 122.390 120.500 -0.049 0.000 2.522 91 R HA 0.578 4.918 4.340 0.000 0.000 0.283 91 R C -1.676 174.622 176.300 -0.003 0.000 1.074 91 R CA -0.496 55.606 56.100 0.004 0.000 0.925 91 R CB 1.018 31.348 30.300 0.049 0.000 1.205 91 R HN 0.738 nan 8.270 nan 0.000 0.436 92 L N 4.199 125.382 121.223 -0.066 0.000 2.332 92 L HA 0.653 4.993 4.340 0.000 0.000 0.269 92 L C -1.952 174.760 176.870 -0.264 0.000 1.016 92 L CA -2.454 52.245 54.840 -0.235 0.000 0.809 92 L CB 1.698 43.682 42.059 -0.125 0.000 1.280 92 L HN 0.514 nan 8.230 nan 0.000 0.447 93 P HA 0.028 nan 4.420 nan 0.000 0.267 93 P C -0.923 176.345 177.300 -0.054 0.000 1.200 93 P CA -0.192 62.610 63.100 -0.496 0.000 0.772 93 P CB 0.460 31.834 31.700 -0.543 0.000 0.855 94 V N 4.361 124.272 119.914 -0.005 0.000 2.348 94 V HA 0.123 4.243 4.120 0.000 0.000 0.270 94 V C 0.430 176.585 176.094 0.100 0.000 1.037 94 V CA -0.438 61.900 62.300 0.064 0.000 0.872 94 V CB 0.414 32.266 31.823 0.049 0.000 1.002 94 V HN 0.343 nan 8.190 nan 0.000 0.464 95 L N 6.023 127.320 121.223 0.123 0.000 2.395 95 L HA 0.427 4.767 4.340 0.000 0.000 0.269 95 L C 0.563 177.471 176.870 0.063 0.000 1.133 95 L CA 0.475 55.379 54.840 0.107 0.000 0.812 95 L CB 0.561 42.645 42.059 0.041 0.000 1.125 95 L HN 0.578 nan 8.230 nan 0.000 0.452 96 K N 0.746 121.175 120.400 0.049 0.000 2.416 96 K HA 0.314 4.635 4.320 0.000 0.000 0.244 96 K C 0.278 176.880 176.600 0.004 0.000 1.044 96 K CA -0.932 55.373 56.287 0.030 0.000 0.972 96 K CB 0.556 33.078 32.500 0.038 0.000 1.286 96 K HN 0.365 nan 8.250 nan 0.000 0.500 97 D N 0.813 121.215 120.400 0.002 0.000 2.123 97 D HA -0.135 4.505 4.640 0.000 0.000 0.196 97 D C 0.589 176.874 176.300 -0.024 0.000 0.992 97 D CA 1.537 55.532 54.000 -0.009 0.000 0.833 97 D CB 0.035 40.832 40.800 -0.004 0.000 0.954 97 D HN 0.386 nan 8.370 nan 0.000 0.455 98 R N 0.228 120.717 120.500 -0.020 0.000 2.670 98 R HA 0.508 4.848 4.340 0.000 0.000 0.289 98 R C -0.989 175.291 176.300 -0.032 0.000 0.965 98 R CA -0.692 55.388 56.100 -0.034 0.000 0.899 98 R CB 1.434 31.723 30.300 -0.019 0.000 1.173 98 R HN -0.246 nan 8.270 nan 0.000 0.456 99 N N 3.365 122.015 118.700 -0.083 0.000 2.397 99 N HA 0.342 5.082 4.740 0.000 0.000 0.291 99 N C -1.761 173.664 175.510 -0.141 0.000 1.065 99 N CA -0.620 52.370 53.050 -0.101 0.000 0.884 99 N CB 2.624 40.944 38.487 -0.278 0.000 1.551 99 N HN 0.559 nan 8.380 nan 0.000 0.487 100 L N 2.068 123.305 121.223 0.023 0.000 2.406 100 L HA 0.625 4.965 4.340 0.000 0.000 0.272 100 L C -1.685 175.397 176.870 0.353 0.000 0.980 100 L CA -0.570 54.323 54.840 0.089 0.000 0.831 100 L CB 1.170 43.292 42.059 0.105 0.000 1.253 100 L HN 0.440 nan 8.230 nan 0.000 0.406 101 W N 3.730 125.090 121.300 0.099 0.000 2.781 101 W HA 0.520 5.181 4.660 0.001 0.000 0.345 101 W C -0.811 175.917 176.519 0.348 0.000 1.085 101 W CA -1.183 56.244 57.345 0.137 0.000 1.198 101 W CB 1.473 30.982 29.460 0.081 0.000 1.423 101 W HN 0.127 nan 8.180 nan 0.000 0.532 102 F N 1.934 122.027 119.950 0.238 0.000 2.450 102 F HA 0.564 5.091 4.527 -0.001 0.000 0.332 102 F C -0.170 175.703 175.800 0.122 0.000 1.093 102 F CA -1.950 56.136 58.000 0.143 0.000 1.003 102 F CB 1.047 40.107 39.000 0.100 0.000 1.151 102 F HN -0.185 nan 8.300 nan 0.000 0.474 103 L N 4.108 125.465 121.223 0.223 0.000 2.298 103 L HA 0.695 5.035 4.340 0.000 0.000 0.284 103 L C -0.369 176.534 176.870 0.055 0.000 1.013 103 L CA -0.647 54.263 54.840 0.118 0.000 0.824 103 L CB 1.417 43.525 42.059 0.081 0.000 1.221 103 L HN 0.432 nan 8.230 nan 0.000 0.418 104 V N 0.117 120.040 119.914 0.014 0.000 3.074 104 V HA 1.140 5.260 4.120 0.000 0.000 0.314 104 V C 0.029 175.943 176.094 -0.299 0.000 1.117 104 V CA -0.066 62.204 62.300 -0.051 0.000 1.014 104 V CB 1.597 33.469 31.823 0.082 0.000 1.057 104 V HN 0.890 nan 8.190 nan 0.000 0.438 105 G N 0.616 109.145 108.800 -0.452 0.000 2.362 105 G HA2 0.259 4.219 3.960 0.000 0.000 0.288 105 G HA3 0.259 4.219 3.960 0.000 0.000 0.288 105 G C -1.331 173.441 174.900 -0.213 0.000 1.305 105 G CA -0.656 44.044 45.100 -0.668 0.000 0.910 105 G HN 1.031 nan 8.290 nan 0.000 0.518 106 L N 0.211 121.365 121.223 -0.114 0.000 2.472 106 L HA 0.371 4.711 4.340 0.000 0.000 0.260 106 L C 0.860 177.742 176.870 0.019 0.000 1.209 106 L CA -0.610 54.255 54.840 0.042 0.000 0.817 106 L CB 0.416 42.500 42.059 0.042 0.000 1.106 106 L HN 0.558 nan 8.230 nan 0.000 0.479 107 Q N 1.082 120.907 119.800 0.040 0.000 2.247 107 Q HA 0.245 4.585 4.340 0.000 0.000 0.288 107 Q C 0.914 176.920 176.000 0.009 0.000 1.079 107 Q CA 1.193 57.010 55.803 0.024 0.000 0.932 107 Q CB 0.204 28.958 28.738 0.027 0.000 1.133 107 Q HN 0.837 nan 8.270 nan 0.000 0.377 108 G N 1.259 110.060 108.800 0.001 0.000 2.175 108 G HA2 -0.345 3.615 3.960 0.000 0.000 0.244 108 G HA3 -0.345 3.615 3.960 0.000 0.000 0.244 108 G C 1.005 175.900 174.900 -0.010 0.000 0.982 108 G CA 0.540 45.638 45.100 -0.002 0.000 0.641 108 G HN 0.761 nan 8.290 nan 0.000 0.527 109 S N -0.469 115.219 115.700 -0.019 0.000 2.423 109 S HA 0.376 4.846 4.470 0.000 0.000 0.231 109 S C 2.077 176.661 174.600 -0.026 0.000 1.014 109 S CA 1.776 59.958 58.200 -0.030 0.000 0.965 109 S CB 0.095 63.261 63.200 -0.057 0.000 0.785 109 S HN 2.376 nan 8.310 nan 0.000 0.495 110 G N 0.586 109.374 108.800 -0.021 0.000 2.174 110 G HA2 -0.128 3.832 3.960 0.000 0.000 0.140 110 G HA3 -0.128 3.832 3.960 0.000 0.000 0.140 110 G C 0.585 175.477 174.900 -0.012 0.000 1.031 110 G CA 0.082 45.174 45.100 -0.014 0.000 0.728 110 G HN 0.437 nan 8.290 nan 0.000 0.496 111 K N 0.040 120.430 120.400 -0.016 0.000 2.002 111 K HA -0.052 4.268 4.320 0.000 0.000 0.209 111 K C 2.541 179.141 176.600 -0.000 0.000 1.048 111 K CA 1.939 58.220 56.287 -0.009 0.000 0.930 111 K CB -0.313 32.176 32.500 -0.017 0.000 0.714 111 K HN 0.265 nan 8.250 nan 0.000 0.438 112 T N 0.830 115.382 114.554 -0.005 0.000 2.708 112 T HA -0.127 4.223 4.350 0.000 0.000 0.266 112 T C 1.984 176.683 174.700 -0.001 0.000 1.037 112 T CA 1.897 63.995 62.100 -0.003 0.000 1.146 112 T CB -0.419 68.446 68.868 -0.006 0.000 0.865 112 T HN 0.296 nan 8.240 nan 0.000 0.435 113 T N 1.829 116.382 114.554 -0.002 0.000 2.746 113 T HA -0.110 4.241 4.350 0.000 0.000 0.267 113 T C 2.282 176.980 174.700 -0.004 0.000 1.039 113 T CA 1.618 63.716 62.100 -0.002 0.000 1.142 113 T CB -0.742 68.124 68.868 -0.003 0.000 0.866 113 T HN 0.394 nan 8.240 nan 0.000 0.444 114 T N 2.069 116.621 114.554 -0.003 0.000 2.746 114 T HA -0.035 4.315 4.350 0.000 0.000 0.267 114 T C 2.427 177.131 174.700 0.008 0.000 1.039 114 T CA 1.116 63.213 62.100 -0.005 0.000 1.142 114 T CB -0.589 68.281 68.868 0.005 0.000 0.866 114 T HN 0.448 nan 8.240 nan 0.000 0.444 115 A N 1.617 124.451 122.820 0.025 0.000 1.883 115 A HA 0.044 4.364 4.320 0.000 0.000 0.217 115 A C 2.661 180.259 177.584 0.023 0.000 1.186 115 A CA 2.024 54.085 52.037 0.040 0.000 0.624 115 A CB -1.184 17.834 19.000 0.030 0.000 0.822 115 A HN 0.526 nan 8.150 nan 0.000 0.444 116 A N -0.557 122.269 122.820 0.009 0.000 1.930 116 A HA -0.128 4.192 4.320 0.000 0.000 0.217 116 A C 2.103 179.689 177.584 0.003 0.000 1.175 116 A CA 1.736 53.776 52.037 0.005 0.000 0.627 116 A CB -0.385 18.616 19.000 0.001 0.000 0.815 116 A HN 0.563 nan 8.150 nan 0.000 0.443 117 K N -0.417 119.976 120.400 -0.011 0.000 2.057 117 K HA -0.018 4.302 4.320 0.000 0.000 0.206 117 K C 1.804 178.380 176.600 -0.041 0.000 1.050 117 K CA 1.315 57.583 56.287 -0.032 0.000 0.935 117 K CB -0.360 32.100 32.500 -0.067 0.000 0.715 117 K HN 0.453 nan 8.250 nan 0.000 0.439 118 L N 0.528 121.729 121.223 -0.038 0.000 2.093 118 L HA -0.174 4.166 4.340 0.000 0.000 0.208 118 L C 2.574 179.540 176.870 0.160 0.000 1.085 118 L CA 1.021 55.886 54.840 0.042 0.000 0.755 118 L CB -0.559 41.583 42.059 0.139 0.000 0.904 118 L HN 0.198 nan 8.230 nan 0.000 0.435 119 A N 0.063 122.929 122.820 0.078 0.000 1.865 119 A HA -0.247 4.073 4.320 0.000 0.000 0.217 119 A C 2.218 179.839 177.584 0.062 0.000 1.191 119 A CA 1.876 53.947 52.037 0.057 0.000 0.623 119 A CB -0.785 18.225 19.000 0.016 0.000 0.826 119 A HN 0.304 nan 8.150 nan 0.000 0.444 120 L N -1.753 119.495 121.223 0.042 0.000 2.017 120 L HA -0.149 4.191 4.340 0.000 0.000 0.208 120 L C 2.331 179.212 176.870 0.020 0.000 1.073 120 L CA 2.389 57.243 54.840 0.025 0.000 0.745 120 L CB -0.938 41.132 42.059 0.019 0.000 0.894 120 L HN 0.535 nan 8.230 nan 0.000 0.432 121 Y N -1.200 119.026 120.300 -0.124 0.000 2.128 121 Y HA -0.332 4.218 4.550 -0.000 0.000 0.284 121 Y C 2.179 177.920 175.900 -0.265 0.000 1.154 121 Y CA 2.157 60.113 58.100 -0.239 0.000 1.149 121 Y CB -0.434 37.773 38.460 -0.422 0.000 0.976 121 Y HN 0.282 nan 8.280 nan 0.000 0.505 122 Y N 0.129 120.441 120.300 0.020 0.000 2.420 122 Y HA -0.048 4.502 4.550 0.000 0.000 0.292 122 Y C 2.513 178.355 175.900 -0.097 0.000 1.119 122 Y CA 1.311 59.375 58.100 -0.060 0.000 1.229 122 Y CB -0.468 37.976 38.460 -0.027 0.000 1.026 122 Y HN 0.047 nan 8.280 nan 0.000 0.554 123 K N 0.320 120.750 120.400 0.050 0.000 2.020 123 K HA -0.173 4.147 4.320 0.000 0.000 0.212 123 K C 2.362 178.938 176.600 -0.040 0.000 1.050 123 K CA 1.672 57.960 56.287 0.001 0.000 0.929 123 K CB -0.765 31.733 32.500 -0.005 0.000 0.714 123 K HN 0.381 nan 8.250 nan 0.000 0.443 124 G N 0.961 109.710 108.800 -0.085 0.000 2.479 124 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 124 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 124 G C 0.993 175.811 174.900 -0.137 0.000 1.115 124 G CA 0.657 45.686 45.100 -0.117 0.000 0.757 124 G HN 0.335 nan 8.290 nan 0.000 0.560 125 K N 0.165 120.474 120.400 -0.150 0.000 2.446 125 K HA 0.249 4.569 4.320 0.000 0.000 0.203 125 K C 1.317 177.901 176.600 -0.025 0.000 1.027 125 K CA 0.319 56.544 56.287 -0.105 0.000 1.166 125 K CB 0.547 32.969 32.500 -0.130 0.000 0.869 125 K HN 0.278 nan 8.250 nan 0.000 0.504 126 G N 2.525 111.311 108.800 -0.023 0.000 2.147 126 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 126 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 126 G C -0.023 174.877 174.900 -0.000 0.000 1.005 126 G CA -0.002 45.092 45.100 -0.010 0.000 0.713 126 G HN 0.141 nan 8.290 nan 0.000 0.515 127 R N -0.642 119.866 120.500 0.014 0.000 2.549 127 R HA 0.678 5.018 4.340 0.000 0.000 0.259 127 R C 0.448 176.735 176.300 -0.022 0.000 1.095 127 R CA -0.776 55.320 56.100 -0.007 0.000 1.148 127 R CB 0.496 30.789 30.300 -0.012 0.000 1.181 127 R HN 0.317 nan 8.270 nan 0.000 0.571 128 R N 1.162 121.634 120.500 -0.047 0.000 2.363 128 R HA 0.334 4.674 4.340 0.000 0.000 0.297 128 R C -2.357 173.903 176.300 -0.067 0.000 1.208 128 R CA -1.645 54.428 56.100 -0.045 0.000 1.121 128 R CB 1.547 31.824 30.300 -0.038 0.000 1.124 128 R HN 0.320 nan 8.270 nan 0.000 0.561 129 P HA 0.169 nan 4.420 nan 0.000 0.276 129 P C -1.227 176.033 177.300 -0.066 0.000 1.244 129 P CA -0.703 62.345 63.100 -0.088 0.000 0.801 129 P CB 0.870 32.529 31.700 -0.067 0.000 1.006 130 L N 2.481 123.659 121.223 -0.074 0.000 2.381 130 L HA 0.461 4.801 4.340 0.000 0.000 0.274 130 L C -1.466 175.377 176.870 -0.044 0.000 0.988 130 L CA -0.555 54.255 54.840 -0.049 0.000 0.824 130 L CB 1.025 43.057 42.059 -0.044 0.000 1.263 130 L HN 0.169 nan 8.230 nan 0.000 0.410 131 L N 5.294 126.499 121.223 -0.029 0.000 2.334 131 L HA 0.650 4.991 4.340 0.000 0.000 0.277 131 L C -0.654 176.205 176.870 -0.019 0.000 1.075 131 L CA -0.766 54.061 54.840 -0.021 0.000 0.804 131 L CB 1.724 43.774 42.059 -0.015 0.000 1.174 131 L HN 0.381 nan 8.230 nan 0.000 0.438 132 V N 2.429 122.332 119.914 -0.019 0.000 2.409 132 V HA 0.416 4.536 4.120 0.000 0.000 0.290 132 V C 0.185 176.258 176.094 -0.035 0.000 1.017 132 V CA -0.681 61.604 62.300 -0.025 0.000 0.841 132 V CB 1.576 33.385 31.823 -0.024 0.000 1.003 132 V HN 0.826 nan 8.190 nan 0.000 0.426 133 A N 3.816 126.618 122.820 -0.030 0.000 2.666 133 A HA 0.659 4.979 4.320 0.000 0.000 0.312 133 A C 1.140 178.699 177.584 -0.041 0.000 1.471 133 A CA 0.350 52.368 52.037 -0.032 0.000 1.134 133 A CB 0.280 19.267 19.000 -0.022 0.000 1.129 133 A HN 1.230 nan 8.150 nan 0.000 0.539 134 A N 1.883 124.666 122.820 -0.061 0.000 2.308 134 A HA 0.204 4.525 4.320 0.000 0.000 0.217 134 A C 0.684 178.231 177.584 -0.061 0.000 1.216 134 A CA 0.186 52.178 52.037 -0.074 0.000 0.864 134 A CB -0.004 18.918 19.000 -0.131 0.000 0.902 134 A HN 0.630 nan 8.150 nan 0.000 0.499 135 D N 1.186 121.559 120.400 -0.046 0.000 2.365 135 D HA 0.184 4.824 4.640 0.000 0.000 0.237 135 D C 0.924 177.211 176.300 -0.021 0.000 1.190 135 D CA 0.739 54.721 54.000 -0.031 0.000 0.867 135 D CB 0.869 41.654 40.800 -0.024 0.000 1.050 135 D HN 0.183 nan 8.370 nan 0.000 0.491 136 T N 0.251 114.795 114.554 -0.018 0.000 3.129 136 T HA 0.020 4.370 4.350 0.000 0.000 0.267 136 T C 1.110 175.805 174.700 -0.007 0.000 1.018 136 T CA -0.068 62.025 62.100 -0.012 0.000 0.903 136 T CB 0.036 68.897 68.868 -0.012 0.000 1.067 136 T HN 0.513 nan 8.240 nan 0.000 0.549 137 Q N 0.766 120.563 119.800 -0.006 0.000 2.471 137 Q HA 0.259 4.599 4.340 0.000 0.000 0.241 137 Q C 1.310 177.309 176.000 -0.001 0.000 0.886 137 Q CA -0.555 55.246 55.803 -0.002 0.000 0.953 137 Q CB 0.039 28.777 28.738 0.001 0.000 1.108 137 Q HN 0.391 nan 8.270 nan 0.000 0.575 138 R N 2.634 123.133 120.500 -0.002 0.000 2.401 138 R HA 0.241 4.581 4.340 0.000 0.000 0.299 138 R C -2.320 173.979 176.300 -0.002 0.000 1.064 138 R CA -1.571 54.528 56.100 -0.001 0.000 1.000 138 R CB 0.327 30.626 30.300 -0.001 0.000 0.973 138 R HN -0.017 nan 8.270 nan 0.000 0.438 139 P HA -0.012 nan 4.420 nan 0.000 0.263 139 P C -0.485 176.814 177.300 -0.002 0.000 1.195 139 P CA 0.968 64.067 63.100 -0.002 0.000 0.762 139 P CB 1.013 32.712 31.700 -0.001 0.000 0.799 140 A N 3.202 126.020 122.820 -0.003 0.000 2.899 140 A HA -0.237 4.083 4.320 0.000 0.000 0.257 140 A C 1.826 179.407 177.584 -0.005 0.000 1.335 140 A CA 1.248 53.283 52.037 -0.004 0.000 0.924 140 A CB -2.306 16.692 19.000 -0.003 0.000 1.105 140 A HN 0.574 nan 8.150 nan 0.000 0.765 141 A N -0.499 122.318 122.820 -0.006 0.000 1.877 141 A HA -0.118 4.202 4.320 0.000 0.000 0.216 141 A C 2.012 179.590 177.584 -0.009 0.000 1.186 141 A CA 1.901 53.933 52.037 -0.008 0.000 0.620 141 A CB -0.428 18.566 19.000 -0.009 0.000 0.822 141 A HN 0.765 nan 8.150 nan 0.000 0.443 142 R N -0.720 119.774 120.500 -0.010 0.000 2.073 142 R HA -0.153 4.187 4.340 0.000 0.000 0.234 142 R C 2.363 178.657 176.300 -0.009 0.000 1.134 142 R CA 1.586 57.680 56.100 -0.011 0.000 0.952 142 R CB -0.347 29.947 30.300 -0.011 0.000 0.850 142 R HN 0.800 nan 8.270 nan 0.000 0.433 143 E N 0.918 121.114 120.200 -0.007 0.000 2.077 143 E HA -0.283 4.067 4.350 0.000 0.000 0.193 143 E C 2.111 178.707 176.600 -0.005 0.000 0.989 143 E CA 1.263 57.659 56.400 -0.006 0.000 0.800 143 E CB 0.052 29.750 29.700 -0.004 0.000 0.746 143 E HN 0.321 nan 8.360 nan 0.000 0.452 144 Q N 0.139 119.936 119.800 -0.005 0.000 2.061 144 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 144 Q C 2.313 178.310 176.000 -0.005 0.000 0.984 144 Q CA 1.608 57.408 55.803 -0.005 0.000 0.846 144 Q CB -0.110 28.625 28.738 -0.005 0.000 0.902 144 Q HN 0.361 nan 8.270 nan 0.000 0.421 145 L N 0.905 122.124 121.223 -0.007 0.000 2.109 145 L HA -0.102 4.238 4.340 0.000 0.000 0.207 145 L C 2.527 179.393 176.870 -0.007 0.000 1.086 145 L CA 1.677 56.513 54.840 -0.007 0.000 0.760 145 L CB -0.584 41.469 42.059 -0.010 0.000 0.910 145 L HN 0.174 nan 8.230 nan 0.000 0.437 146 R N -0.608 119.888 120.500 -0.008 0.000 2.080 146 R HA -0.189 4.151 4.340 0.000 0.000 0.236 146 R C 2.275 178.572 176.300 -0.006 0.000 1.137 146 R CA 2.072 58.168 56.100 -0.007 0.000 0.943 146 R CB -0.487 29.809 30.300 -0.007 0.000 0.846 146 R HN 0.414 nan 8.270 nan 0.000 0.431 147 L N 0.631 121.851 121.223 -0.005 0.000 2.079 147 L HA -0.210 4.130 4.340 0.000 0.000 0.210 147 L C 2.473 179.341 176.870 -0.003 0.000 1.081 147 L CA 1.191 56.029 54.840 -0.004 0.000 0.752 147 L CB -0.322 41.736 42.059 -0.003 0.000 0.896 147 L HN 0.323 nan 8.230 nan 0.000 0.433 148 L N -0.936 120.285 121.223 -0.003 0.000 2.109 148 L HA -0.086 4.254 4.340 0.000 0.000 0.207 148 L C 2.643 179.511 176.870 -0.003 0.000 1.086 148 L CA 1.141 55.980 54.840 -0.002 0.000 0.760 148 L CB -0.980 41.078 42.059 -0.002 0.000 0.910 148 L HN 0.295 nan 8.230 nan 0.000 0.437 149 G N -0.286 108.511 108.800 -0.004 0.000 2.418 149 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 149 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 149 G C 1.387 176.283 174.900 -0.005 0.000 1.158 149 G CA 0.528 45.624 45.100 -0.006 0.000 0.771 149 G HN 0.375 nan 8.290 nan 0.000 0.545 150 E N 0.161 120.358 120.200 -0.005 0.000 2.058 150 E HA -0.169 4.181 4.350 0.000 0.000 0.194 150 E C 2.345 178.942 176.600 -0.004 0.000 0.997 150 E CA 1.396 57.793 56.400 -0.005 0.000 0.801 150 E CB -0.089 29.608 29.700 -0.004 0.000 0.746 150 E HN 0.393 nan 8.360 nan 0.000 0.450 151 K N 0.811 121.209 120.400 -0.003 0.000 2.063 151 K HA -0.149 4.171 4.320 0.000 0.000 0.208 151 K C 1.877 178.476 176.600 -0.002 0.000 1.048 151 K CA 1.539 57.825 56.287 -0.002 0.000 0.928 151 K CB -0.012 32.488 32.500 -0.001 0.000 0.713 151 K HN 0.192 nan 8.250 nan 0.000 0.442 152 V N -3.041 116.872 119.914 -0.002 0.000 3.647 152 V HA 0.384 4.505 4.120 0.000 0.000 0.279 152 V C 0.782 176.873 176.094 -0.004 0.000 1.314 152 V CA 0.202 62.501 62.300 -0.002 0.000 1.125 152 V CB -0.475 31.349 31.823 0.001 0.000 0.907 152 V HN 0.357 nan 8.190 nan 0.000 0.434 153 G N 0.244 109.041 108.800 -0.005 0.000 2.324 153 G HA2 -0.143 3.817 3.960 0.000 0.000 0.292 153 G HA3 -0.143 3.817 3.960 0.000 0.000 0.292 153 G C -0.302 174.593 174.900 -0.009 0.000 1.079 153 G CA 0.308 45.404 45.100 -0.007 0.000 1.026 153 G HN 1.088 nan 8.290 nan 0.000 0.506 154 V N 1.560 121.468 119.914 -0.009 0.000 2.733 154 V HA 0.604 4.724 4.120 0.000 0.000 0.306 154 V C -1.855 174.232 176.094 -0.013 0.000 1.084 154 V CA -1.382 60.910 62.300 -0.012 0.000 0.905 154 V CB 2.760 34.576 31.823 -0.012 0.000 1.010 154 V HN 0.284 nan 8.190 nan 0.000 0.424 155 P HA 0.306 nan 4.420 nan 0.000 0.274 155 P C -1.082 176.209 177.300 -0.015 0.000 1.231 155 P CA -0.113 62.978 63.100 -0.014 0.000 0.790 155 P CB 1.463 33.154 31.700 -0.015 0.000 0.951 156 V N 3.572 123.479 119.914 -0.013 0.000 2.443 156 V HA 0.251 4.371 4.120 0.000 0.000 0.293 156 V C 0.309 176.396 176.094 -0.013 0.000 1.021 156 V CA -0.745 61.547 62.300 -0.013 0.000 0.848 156 V CB 1.441 33.257 31.823 -0.012 0.000 0.998 156 V HN 0.464 nan 8.190 nan 0.000 0.424 157 L N 4.679 125.894 121.223 -0.014 0.000 2.281 157 L HA 0.496 4.836 4.340 0.000 0.000 0.285 157 L C 0.180 177.041 176.870 -0.014 0.000 1.074 157 L CA 0.093 54.926 54.840 -0.012 0.000 0.817 157 L CB 0.821 42.873 42.059 -0.011 0.000 1.168 157 L HN 0.669 nan 8.230 nan 0.000 0.434 158 E N 3.907 124.100 120.200 -0.012 0.000 2.134 158 E HA 0.280 4.630 4.350 0.000 0.000 0.278 158 E C -0.796 175.797 176.600 -0.013 0.000 0.959 158 E CA -0.722 55.670 56.400 -0.013 0.000 0.783 158 E CB 2.038 31.732 29.700 -0.011 0.000 1.095 158 E HN 0.389 nan 8.360 nan 0.000 0.399 159 V N 4.698 124.602 119.914 -0.017 0.000 2.715 159 V HA 0.052 4.172 4.120 0.000 0.000 0.299 159 V C 0.465 176.552 176.094 -0.012 0.000 1.054 159 V CA 0.228 62.519 62.300 -0.015 0.000 1.077 159 V CB 0.638 32.447 31.823 -0.023 0.000 0.972 159 V HN 0.706 nan 8.190 nan 0.000 0.484 160 M N 3.015 122.610 119.600 -0.008 0.000 2.274 160 M HA 0.275 4.755 4.480 0.000 0.000 0.344 160 M C 0.008 176.304 176.300 -0.006 0.000 1.161 160 M CA -0.645 54.651 55.300 -0.006 0.000 1.126 160 M CB 0.388 32.986 32.600 -0.004 0.000 1.522 160 M HN 0.523 nan 8.290 nan 0.000 0.461 161 D N 2.136 122.533 120.400 -0.005 0.000 2.658 161 D HA 0.056 4.696 4.640 0.000 0.000 0.230 161 D C 1.229 177.527 176.300 -0.003 0.000 1.118 161 D CA 1.685 55.682 54.000 -0.004 0.000 0.848 161 D CB 0.327 41.125 40.800 -0.003 0.000 1.160 161 D HN 0.923 nan 8.370 nan 0.000 0.497 162 G N 2.627 111.426 108.800 -0.002 0.000 2.184 162 G HA2 -0.364 3.596 3.960 0.000 0.000 0.264 162 G HA3 -0.364 3.596 3.960 0.000 0.000 0.264 162 G C 0.414 175.314 174.900 0.000 0.000 0.975 162 G CA 0.480 45.580 45.100 -0.001 0.000 0.642 162 G HN 0.633 nan 8.290 nan 0.000 0.536 163 E N 1.616 121.816 120.200 -0.001 0.000 2.366 163 E HA 0.439 4.789 4.350 0.000 0.000 0.266 163 E C 1.183 177.785 176.600 0.004 0.000 1.015 163 E CA 0.275 56.676 56.400 0.001 0.000 0.906 163 E CB 0.272 29.971 29.700 -0.001 0.000 0.979 163 E HN 0.567 nan 8.360 nan 0.000 0.443 164 S N 3.845 119.549 115.700 0.007 0.000 2.585 164 S HA 0.139 4.609 4.470 0.000 0.000 0.273 164 S C -1.841 172.768 174.600 0.016 0.000 1.339 164 S CA -1.191 57.016 58.200 0.011 0.000 1.028 164 S CB 1.229 64.436 63.200 0.011 0.000 0.906 164 S HN 0.422 nan 8.310 nan 0.000 0.528 165 P HA -0.090 nan 4.420 nan 0.000 0.216 165 P C 1.333 178.654 177.300 0.036 0.000 1.150 165 P CA 1.133 64.254 63.100 0.035 0.000 0.837 165 P CB 0.077 31.806 31.700 0.048 0.000 0.786 166 E N -0.747 119.470 120.200 0.029 0.000 2.072 166 E HA -0.133 4.217 4.350 0.000 0.000 0.191 166 E C 2.208 178.821 176.600 0.021 0.000 0.985 166 E CA 1.275 57.691 56.400 0.026 0.000 0.801 166 E CB -0.923 28.789 29.700 0.021 0.000 0.750 166 E HN 0.018 nan 8.360 nan 0.000 0.452 167 S N -0.578 115.132 115.700 0.017 0.000 2.368 167 S HA -0.126 4.344 4.470 0.000 0.000 0.225 167 S C 1.962 176.570 174.600 0.013 0.000 1.030 167 S CA 1.242 59.450 58.200 0.012 0.000 0.999 167 S CB -0.360 62.845 63.200 0.009 0.000 0.844 167 S HN 0.320 nan 8.310 nan 0.000 0.459 168 I N 1.376 121.955 120.570 0.015 0.000 2.118 168 I HA -0.228 3.942 4.170 0.000 0.000 0.241 168 I C 2.914 179.045 176.117 0.023 0.000 1.070 168 I CA 1.719 63.028 61.300 0.015 0.000 1.327 168 I CB -0.466 37.543 38.000 0.015 0.000 1.034 168 I HN 0.320 nan 8.210 nan 0.000 0.405 169 R N 1.008 121.528 120.500 0.034 0.000 2.096 169 R HA -0.218 4.122 4.340 0.000 0.000 0.240 169 R C 2.514 178.829 176.300 0.026 0.000 1.139 169 R CA 1.857 57.981 56.100 0.039 0.000 0.952 169 R CB -0.182 30.143 30.300 0.042 0.000 0.854 169 R HN 0.309 nan 8.270 nan 0.000 0.436 170 R N -0.319 120.193 120.500 0.019 0.000 2.073 170 R HA -0.091 4.249 4.340 0.000 0.000 0.234 170 R C 2.520 178.826 176.300 0.010 0.000 1.134 170 R CA 1.741 57.849 56.100 0.013 0.000 0.952 170 R CB -0.222 30.084 30.300 0.011 0.000 0.850 170 R HN 0.258 nan 8.270 nan 0.000 0.433 171 R N 0.020 120.525 120.500 0.009 0.000 2.092 171 R HA -0.074 4.266 4.340 0.000 0.000 0.231 171 R C 2.285 178.587 176.300 0.004 0.000 1.119 171 R CA 1.270 57.373 56.100 0.005 0.000 0.970 171 R CB -0.356 29.946 30.300 0.003 0.000 0.864 171 R HN 0.103 nan 8.270 nan 0.000 0.440 172 V N 1.437 121.356 119.914 0.009 0.000 2.307 172 V HA -0.187 3.933 4.120 0.000 0.000 0.245 172 V C 2.223 178.321 176.094 0.006 0.000 1.045 172 V CA 1.661 63.966 62.300 0.008 0.000 1.024 172 V CB -0.342 31.493 31.823 0.020 0.000 0.651 172 V HN 0.232 nan 8.190 nan 0.000 0.449 173 E N -0.115 120.091 120.200 0.010 0.000 2.153 173 E HA -0.235 4.115 4.350 0.000 0.000 0.194 173 E C 2.162 178.762 176.600 0.001 0.000 0.988 173 E CA 1.290 57.694 56.400 0.006 0.000 0.811 173 E CB -0.114 29.591 29.700 0.010 0.000 0.746 173 E HN 0.666 nan 8.360 nan 0.000 0.466 174 E N 1.246 121.447 120.200 0.001 0.000 2.072 174 E HA -0.119 4.231 4.350 0.000 0.000 0.190 174 E C 1.997 178.594 176.600 -0.004 0.000 0.982 174 E CA 1.198 57.598 56.400 -0.001 0.000 0.803 174 E CB -0.010 29.690 29.700 0.000 0.000 0.755 174 E HN 0.069 nan 8.360 nan 0.000 0.453 175 K N -0.393 120.004 120.400 -0.005 0.000 2.057 175 K HA -0.100 4.220 4.320 0.000 0.000 0.207 175 K C 1.985 178.578 176.600 -0.012 0.000 1.049 175 K CA 1.224 57.506 56.287 -0.008 0.000 0.931 175 K CB -0.238 32.257 32.500 -0.009 0.000 0.714 175 K HN 0.183 nan 8.250 nan 0.000 0.440 176 A N 1.224 124.036 122.820 -0.013 0.000 1.969 176 A HA -0.156 4.164 4.320 0.000 0.000 0.218 176 A C 2.090 179.664 177.584 -0.017 0.000 1.169 176 A CA 1.293 53.319 52.037 -0.019 0.000 0.635 176 A CB -0.431 18.556 19.000 -0.020 0.000 0.810 176 A HN 0.330 nan 8.150 nan 0.000 0.445 177 R N -0.329 120.165 120.500 -0.011 0.000 2.055 177 R HA 0.035 4.375 4.340 0.000 0.000 0.228 177 R C 1.963 178.257 176.300 -0.010 0.000 1.143 177 R CA 1.294 57.388 56.100 -0.010 0.000 0.945 177 R CB -0.436 29.860 30.300 -0.006 0.000 0.841 177 R HN 0.482 nan 8.270 nan 0.000 0.429 178 L N 0.571 121.789 121.223 -0.009 0.000 2.189 178 L HA -0.181 4.159 4.340 0.000 0.000 0.214 178 L C 1.254 178.118 176.870 -0.010 0.000 1.097 178 L CA 1.519 56.354 54.840 -0.008 0.000 0.764 178 L CB -0.202 41.852 42.059 -0.007 0.000 0.900 178 L HN 0.353 nan 8.230 nan 0.000 0.436 179 E N -0.823 119.369 120.200 -0.013 0.000 2.583 179 E HA 0.279 4.629 4.350 0.000 0.000 0.213 179 E C 0.628 177.217 176.600 -0.018 0.000 0.989 179 E CA 0.341 56.732 56.400 -0.015 0.000 0.991 179 E CB 0.699 30.390 29.700 -0.016 0.000 1.040 179 E HN 0.294 nan 8.360 nan 0.000 0.481 180 A N 2.508 125.317 122.820 -0.018 0.000 2.466 180 A HA -0.228 4.092 4.320 0.000 0.000 0.295 180 A C -0.222 177.344 177.584 -0.030 0.000 1.465 180 A CA 0.650 52.675 52.037 -0.021 0.000 0.744 180 A CB -1.053 17.936 19.000 -0.018 0.000 1.098 180 A HN 0.118 nan 8.150 nan 0.000 0.402 181 R N 0.339 120.818 120.500 -0.035 0.000 2.221 181 R HA 0.370 4.710 4.340 0.000 0.000 0.327 181 R C 0.409 176.671 176.300 -0.064 0.000 1.033 181 R CA -0.037 56.034 56.100 -0.049 0.000 0.887 181 R CB 0.910 31.181 30.300 -0.048 0.000 1.057 181 R HN 0.671 nan 8.270 nan 0.000 0.455 182 D N 1.205 121.555 120.400 -0.084 0.000 2.398 182 D HA 0.031 4.671 4.640 0.000 0.000 0.210 182 D C 0.111 176.307 176.300 -0.172 0.000 1.094 182 D CA -0.137 53.802 54.000 -0.101 0.000 0.839 182 D CB 0.281 41.032 40.800 -0.082 0.000 0.963 182 D HN 0.154 nan 8.370 nan 0.000 0.506 183 L N 1.142 122.235 121.223 -0.216 0.000 2.415 183 L HA 0.469 4.809 4.340 0.000 0.000 0.268 183 L C -1.627 175.064 176.870 -0.298 0.000 0.984 183 L CA -0.847 53.770 54.840 -0.373 0.000 0.853 183 L CB 1.313 43.070 42.059 -0.503 0.000 1.215 183 L HN -0.084 nan 8.230 nan 0.000 0.419 184 I N 5.841 126.256 120.570 -0.259 0.000 2.339 184 I HA 0.375 4.545 4.170 0.000 0.000 0.290 184 I C -0.694 175.363 176.117 -0.099 0.000 0.994 184 I CA -0.435 60.786 61.300 -0.132 0.000 1.191 184 I CB 1.380 39.351 38.000 -0.048 0.000 1.343 184 I HN 0.438 nan 8.210 nan 0.000 0.458 185 L N 7.346 128.536 121.223 -0.055 0.000 2.295 185 L HA 0.454 4.794 4.340 0.000 0.000 0.281 185 L C -0.613 176.287 176.870 0.051 0.000 1.018 185 L CA -0.719 54.137 54.840 0.026 0.000 0.841 185 L CB 1.448 43.506 42.059 -0.000 0.000 1.218 185 L HN 0.297 nan 8.230 nan 0.000 0.424 186 V N 1.578 121.551 119.914 0.098 0.000 2.348 186 V HA 0.160 4.280 4.120 0.000 0.000 0.270 186 V C -0.172 175.878 176.094 -0.073 0.000 1.037 186 V CA -0.479 61.804 62.300 -0.028 0.000 0.872 186 V CB 1.423 33.169 31.823 -0.127 0.000 1.002 186 V HN 0.601 nan 8.190 nan 0.000 0.464 187 D N 4.369 124.729 120.400 -0.067 0.000 2.339 187 D HA 0.348 4.988 4.640 0.000 0.000 0.241 187 D C 0.434 176.673 176.300 -0.101 0.000 1.183 187 D CA -0.005 53.962 54.000 -0.056 0.000 0.859 187 D CB 1.176 41.959 40.800 -0.028 0.000 1.067 187 D HN 0.698 nan 8.370 nan 0.000 0.484 188 T N 0.788 115.279 114.554 -0.105 0.000 2.943 188 T HA 0.741 5.091 4.350 0.000 0.000 0.284 188 T C 0.369 175.046 174.700 -0.038 0.000 1.015 188 T CA -0.926 61.111 62.100 -0.105 0.000 1.042 188 T CB 1.467 70.258 68.868 -0.128 0.000 1.055 188 T HN 0.401 nan 8.240 nan 0.000 0.500 189 A N 1.228 124.035 122.820 -0.021 0.000 2.425 189 A HA 0.597 4.917 4.320 0.000 0.000 0.242 189 A C 1.051 178.653 177.584 0.031 0.000 1.077 189 A CA -0.149 51.890 52.037 0.003 0.000 0.781 189 A CB -0.703 18.300 19.000 0.005 0.000 1.020 189 A HN 1.334 nan 8.150 nan 0.000 0.494 190 G N 0.321 109.140 108.800 0.031 0.000 2.491 190 G HA2 0.492 4.452 3.960 0.000 0.000 0.242 190 G HA3 0.492 4.452 3.960 0.000 0.000 0.242 190 G C 0.096 175.047 174.900 0.085 0.000 1.266 190 G CA -0.181 44.952 45.100 0.054 0.000 0.844 190 G HN 1.160 nan 8.290 nan 0.000 0.571 191 R N 1.246 121.835 120.500 0.148 0.000 2.629 191 R HA 0.370 4.710 4.340 0.000 0.000 0.266 191 R C -1.188 175.215 176.300 0.173 0.000 1.051 191 R CA -1.053 55.129 56.100 0.137 0.000 0.895 191 R CB 0.924 31.299 30.300 0.124 0.000 1.246 191 R HN 0.368 nan 8.270 nan 0.000 0.459 192 L N 3.012 124.286 121.223 0.086 0.000 2.456 192 L HA 0.030 4.370 4.340 0.000 0.000 0.272 192 L C 1.889 178.747 176.870 -0.019 0.000 1.189 192 L CA -0.395 54.484 54.840 0.065 0.000 0.846 192 L CB 0.961 43.036 42.059 0.026 0.000 1.111 192 L HN 0.810 nan 8.230 nan 0.000 0.475 193 Q N 4.478 124.261 119.800 -0.028 0.000 2.364 193 Q HA -0.141 4.199 4.340 0.000 0.000 0.207 193 Q C 1.183 177.073 176.000 -0.183 0.000 0.970 193 Q CA 1.575 57.227 55.803 -0.253 0.000 0.888 193 Q CB -0.208 28.454 28.738 -0.127 0.000 0.951 193 Q HN 0.886 nan 8.270 nan 0.000 0.469 194 I N -2.288 118.229 120.570 -0.088 0.000 3.956 194 I HA 0.285 4.455 4.170 0.000 0.000 0.333 194 I C 0.231 176.314 176.117 -0.057 0.000 1.302 194 I CA -0.352 60.909 61.300 -0.065 0.000 1.122 194 I CB 0.167 38.147 38.000 -0.033 0.000 1.013 194 I HN -0.223 nan 8.210 nan 0.000 0.405 195 D N 2.967 123.329 120.400 -0.063 0.000 2.470 195 D HA 0.009 4.649 4.640 0.000 0.000 0.226 195 D C 1.149 177.414 176.300 -0.058 0.000 1.196 195 D CA 0.169 54.142 54.000 -0.045 0.000 0.979 195 D CB 0.704 41.487 40.800 -0.028 0.000 1.059 195 D HN 0.197 nan 8.370 nan 0.000 0.515 196 E N 2.815 122.986 120.200 -0.050 0.000 2.058 196 E HA -0.134 4.216 4.350 0.000 0.000 0.194 196 E C -0.757 175.820 176.600 -0.037 0.000 0.997 196 E CA 1.027 57.398 56.400 -0.049 0.000 0.801 196 E CB -1.328 28.350 29.700 -0.038 0.000 0.746 196 E HN 0.514 nan 8.360 nan 0.000 0.450 197 P HA -0.130 nan 4.420 nan 0.000 0.215 197 P C 1.721 179.013 177.300 -0.015 0.000 1.157 197 P CA 1.092 64.183 63.100 -0.016 0.000 0.874 197 P CB -0.099 31.594 31.700 -0.011 0.000 0.790 198 L N -2.310 118.902 121.223 -0.017 0.000 2.156 198 L HA -0.081 4.260 4.340 0.000 0.000 0.208 198 L C 2.416 179.276 176.870 -0.017 0.000 1.095 198 L CA 0.929 55.764 54.840 -0.008 0.000 0.770 198 L CB -0.637 41.423 42.059 0.001 0.000 0.914 198 L HN -0.020 nan 8.230 nan 0.000 0.439 199 M N -0.461 119.104 119.600 -0.057 0.000 2.175 199 M HA -0.070 4.410 4.480 0.000 0.000 0.264 199 M C 2.371 178.647 176.300 -0.040 0.000 1.063 199 M CA 1.649 56.894 55.300 -0.092 0.000 1.119 199 M CB -1.615 30.882 32.600 -0.171 0.000 1.377 199 M HN 0.278 nan 8.290 nan 0.000 0.415 200 G N 0.047 108.830 108.800 -0.028 0.000 2.421 200 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 200 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 200 G C 1.507 176.415 174.900 0.014 0.000 1.171 200 G CA 0.598 45.694 45.100 -0.008 0.000 0.775 200 G HN 0.490 nan 8.290 nan 0.000 0.543 201 E N -0.310 119.899 120.200 0.015 0.000 2.049 201 E HA -0.170 4.180 4.350 0.000 0.000 0.198 201 E C 2.427 179.060 176.600 0.055 0.000 1.007 201 E CA 1.094 57.511 56.400 0.028 0.000 0.809 201 E CB -0.246 29.466 29.700 0.019 0.000 0.749 201 E HN 0.325 nan 8.360 nan 0.000 0.450 202 L N 1.003 122.266 121.223 0.066 0.000 2.012 202 L HA -0.159 4.181 4.340 0.000 0.000 0.210 202 L C 2.234 179.209 176.870 0.174 0.000 1.073 202 L CA 2.137 57.054 54.840 0.128 0.000 0.748 202 L CB -0.729 41.415 42.059 0.143 0.000 0.891 202 L HN 0.045 nan 8.230 nan 0.000 0.431 203 A N -0.764 122.119 122.820 0.104 0.000 1.933 203 A HA -0.216 4.104 4.320 0.000 0.000 0.218 203 A C 2.465 180.101 177.584 0.086 0.000 1.175 203 A CA 1.635 53.723 52.037 0.085 0.000 0.628 203 A CB -0.560 18.462 19.000 0.036 0.000 0.814 203 A HN 0.472 nan 8.150 nan 0.000 0.444 204 R N -1.308 119.238 120.500 0.078 0.000 2.080 204 R HA -0.142 4.198 4.340 0.000 0.000 0.236 204 R C 2.137 178.501 176.300 0.107 0.000 1.137 204 R CA 1.656 57.798 56.100 0.070 0.000 0.943 204 R CB -0.627 29.704 30.300 0.052 0.000 0.846 204 R HN 0.497 nan 8.270 nan 0.000 0.431 205 L N 1.755 123.070 121.223 0.153 0.000 2.046 205 L HA -0.204 4.136 4.340 0.000 0.000 0.208 205 L C 2.367 179.470 176.870 0.388 0.000 1.077 205 L CA 1.857 56.836 54.840 0.232 0.000 0.747 205 L CB -0.454 41.713 42.059 0.180 0.000 0.896 205 L HN 0.053 nan 8.230 nan 0.000 0.432 206 K N -0.451 120.172 120.400 0.372 0.000 2.032 206 K HA -0.276 4.044 4.320 0.000 0.000 0.209 206 K C 2.144 178.738 176.600 -0.010 0.000 1.048 206 K CA 1.985 58.292 56.287 0.034 0.000 0.927 206 K CB -0.339 32.126 32.500 -0.059 0.000 0.712 206 K HN 0.502 nan 8.250 nan 0.000 0.441 207 E N -0.003 120.219 120.200 0.036 0.000 2.110 207 E HA -0.163 4.187 4.350 0.000 0.000 0.193 207 E C 1.801 178.419 176.600 0.030 0.000 0.988 207 E CA 1.402 57.813 56.400 0.018 0.000 0.804 207 E CB 0.167 29.881 29.700 0.023 0.000 0.745 207 E HN 0.234 nan 8.360 nan 0.000 0.458 208 V N 1.006 120.957 119.914 0.062 0.000 2.346 208 V HA -0.195 3.925 4.120 0.000 0.000 0.244 208 V C 2.347 178.484 176.094 0.071 0.000 1.037 208 V CA 1.218 63.556 62.300 0.063 0.000 1.029 208 V CB -0.310 31.556 31.823 0.070 0.000 0.663 208 V HN 0.334 nan 8.190 nan 0.000 0.454 209 L N 0.526 121.821 121.223 0.120 0.000 2.313 209 L HA 0.177 4.517 4.340 0.000 0.000 0.214 209 L C 1.630 178.530 176.870 0.051 0.000 1.119 209 L CA 0.885 55.807 54.840 0.135 0.000 0.809 209 L CB -0.979 41.269 42.059 0.315 0.000 0.933 209 L HN 0.599 nan 8.230 nan 0.000 0.449 210 G N 1.823 110.610 108.800 -0.021 0.000 2.372 210 G HA2 -0.211 3.749 3.960 0.000 0.000 0.297 210 G HA3 -0.211 3.749 3.960 0.000 0.000 0.297 210 G C -2.025 172.820 174.900 -0.092 0.000 1.005 210 G CA -0.439 44.622 45.100 -0.064 0.000 1.173 210 G HN 0.229 nan 8.290 nan 0.000 0.511 211 P HA 0.202 nan 4.420 nan 0.000 0.271 211 P C 0.437 177.693 177.300 -0.073 0.000 1.218 211 P CA -0.234 62.768 63.100 -0.164 0.000 0.780 211 P CB 0.993 32.393 31.700 -0.501 0.000 0.901 212 D N 0.443 120.884 120.400 0.068 0.000 2.194 212 D HA -0.027 4.613 4.640 0.000 0.000 0.204 212 D C 0.286 176.578 176.300 -0.014 0.000 0.964 212 D CA 1.373 55.414 54.000 0.069 0.000 0.846 212 D CB 0.551 41.460 40.800 0.181 0.000 0.962 212 D HN 0.472 nan 8.370 nan 0.000 0.490 213 E N 0.389 120.555 120.200 -0.057 0.000 2.293 213 E HA 0.423 4.774 4.350 0.000 0.000 0.270 213 E C -0.910 175.610 176.600 -0.133 0.000 0.879 213 E CA -0.707 55.536 56.400 -0.261 0.000 0.756 213 E CB 3.404 32.569 29.700 -0.892 0.000 1.208 213 E HN -0.251 nan 8.360 nan 0.000 0.428 214 V N 3.520 123.374 119.914 -0.100 0.000 2.380 214 V HA 0.330 4.450 4.120 0.000 0.000 0.286 214 V C -0.310 175.785 176.094 0.001 0.000 1.015 214 V CA -0.599 61.700 62.300 -0.002 0.000 0.834 214 V CB 1.106 32.918 31.823 -0.019 0.000 1.009 214 V HN 0.457 nan 8.190 nan 0.000 0.428 215 L N 5.527 126.775 121.223 0.042 0.000 2.265 215 L HA 0.483 4.823 4.340 0.000 0.000 0.289 215 L C -0.311 176.544 176.870 -0.025 0.000 1.033 215 L CA -0.703 54.143 54.840 0.010 0.000 0.814 215 L CB 1.482 43.579 42.059 0.063 0.000 1.203 215 L HN 0.455 nan 8.230 nan 0.000 0.423 216 L N 5.504 126.672 121.223 -0.093 0.000 2.369 216 L HA 0.231 4.571 4.340 0.000 0.000 0.279 216 L C -0.188 176.587 176.870 -0.158 0.000 1.108 216 L CA 0.242 54.971 54.840 -0.186 0.000 0.852 216 L CB 1.061 42.993 42.059 -0.212 0.000 1.169 216 L HN 0.265 nan 8.230 nan 0.000 0.452 217 V N 7.058 126.875 119.914 -0.161 0.000 2.368 217 V HA 0.292 4.412 4.120 0.000 0.000 0.266 217 V C -0.102 175.911 176.094 -0.136 0.000 1.045 217 V CA -0.452 61.782 62.300 -0.110 0.000 0.899 217 V CB 1.028 32.810 31.823 -0.069 0.000 1.006 217 V HN 0.628 nan 8.190 nan 0.000 0.470 218 L N 4.800 125.954 121.223 -0.115 0.000 2.325 218 L HA 0.578 4.918 4.340 0.000 0.000 0.281 218 L C -0.138 176.690 176.870 -0.070 0.000 1.004 218 L CA -0.140 54.637 54.840 -0.105 0.000 0.823 218 L CB 1.572 43.561 42.059 -0.117 0.000 1.236 218 L HN 0.603 nan 8.230 nan 0.000 0.415 219 D N 3.716 124.084 120.400 -0.052 0.000 2.458 219 D HA 0.096 4.736 4.640 0.000 0.000 0.243 219 D C 1.011 177.295 176.300 -0.027 0.000 1.146 219 D CA 0.724 54.705 54.000 -0.031 0.000 0.877 219 D CB 1.968 42.754 40.800 -0.023 0.000 1.176 219 D HN 0.771 nan 8.370 nan 0.000 0.461 220 A N 4.526 127.337 122.820 -0.016 0.000 2.024 220 A HA -0.196 4.124 4.320 0.000 0.000 0.220 220 A C 2.090 179.670 177.584 -0.006 0.000 1.164 220 A CA 1.656 53.688 52.037 -0.008 0.000 0.643 220 A CB -0.667 18.340 19.000 0.013 0.000 0.806 220 A HN 0.813 nan 8.150 nan 0.000 0.451 221 M N -1.355 118.242 119.600 -0.005 0.000 2.618 221 M HA 0.100 4.580 4.480 0.000 0.000 0.240 221 M C -0.055 176.241 176.300 -0.007 0.000 1.123 221 M CA 0.538 55.836 55.300 -0.004 0.000 1.060 221 M CB -0.784 31.816 32.600 -0.001 0.000 1.535 221 M HN 0.054 nan 8.290 nan 0.000 0.507 222 T N 2.115 116.661 114.554 -0.013 0.000 2.934 222 T HA 0.344 4.694 4.350 0.000 0.000 0.306 222 T C 0.909 175.602 174.700 -0.012 0.000 1.042 222 T CA 0.272 62.365 62.100 -0.012 0.000 1.145 222 T CB 1.079 69.935 68.868 -0.019 0.000 0.982 222 T HN 0.547 nan 8.240 nan 0.000 0.544 223 G N 1.174 109.970 108.800 -0.008 0.000 2.829 223 G HA2 0.121 4.081 3.960 0.000 0.000 0.173 223 G HA3 0.121 4.081 3.960 0.000 0.000 0.173 223 G C 0.933 175.827 174.900 -0.010 0.000 1.476 223 G CA -0.360 44.735 45.100 -0.009 0.000 1.072 223 G HN 0.565 nan 8.290 nan 0.000 0.577 224 Q N -0.063 119.732 119.800 -0.008 0.000 2.234 224 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 224 Q C 2.066 178.064 176.000 -0.002 0.000 0.980 224 Q CA 0.847 56.645 55.803 -0.009 0.000 0.869 224 Q CB -0.065 28.669 28.738 -0.007 0.000 0.912 224 Q HN 0.490 nan 8.270 nan 0.000 0.436 225 E N 0.275 120.478 120.200 0.004 0.000 2.478 225 E HA -0.002 4.348 4.350 0.000 0.000 0.198 225 E C 1.700 178.312 176.600 0.021 0.000 1.046 225 E CA 0.523 56.931 56.400 0.014 0.000 0.870 225 E CB -0.088 29.624 29.700 0.020 0.000 0.818 225 E HN 0.292 nan 8.360 nan 0.000 0.527 226 A N 1.109 123.934 122.820 0.009 0.000 1.940 226 A HA -0.194 4.126 4.320 0.000 0.000 0.219 226 A C 2.223 179.818 177.584 0.018 0.000 1.176 226 A CA 1.294 53.335 52.037 0.007 0.000 0.631 226 A CB -0.511 18.480 19.000 -0.014 0.000 0.814 226 A HN 0.306 nan 8.150 nan 0.000 0.446 227 L N -0.363 120.869 121.223 0.016 0.000 2.017 227 L HA -0.107 4.233 4.340 0.000 0.000 0.208 227 L C 2.632 179.527 176.870 0.042 0.000 1.073 227 L CA 2.633 57.490 54.840 0.029 0.000 0.745 227 L CB -0.614 41.458 42.059 0.022 0.000 0.894 227 L HN 0.344 nan 8.230 nan 0.000 0.432 228 S N -1.345 114.378 115.700 0.038 0.000 2.382 228 S HA -0.146 4.324 4.470 0.000 0.000 0.228 228 S C 1.924 176.563 174.600 0.066 0.000 1.027 228 S CA 1.497 59.721 58.200 0.041 0.000 0.991 228 S CB -0.461 62.756 63.200 0.029 0.000 0.823 228 S HN 0.318 nan 8.310 nan 0.000 0.469 229 V N 2.105 122.075 119.914 0.093 0.000 2.307 229 V HA -0.086 4.034 4.120 0.000 0.000 0.245 229 V C 2.981 179.227 176.094 0.252 0.000 1.045 229 V CA 1.777 64.188 62.300 0.185 0.000 1.024 229 V CB -1.427 30.494 31.823 0.162 0.000 0.651 229 V HN 0.628 nan 8.190 nan 0.000 0.449 230 A N 0.055 122.956 122.820 0.135 0.000 1.902 230 A HA -0.268 4.052 4.320 0.000 0.000 0.217 230 A C 2.393 180.044 177.584 0.111 0.000 1.181 230 A CA 2.147 54.248 52.037 0.107 0.000 0.623 230 A CB -0.600 18.419 19.000 0.031 0.000 0.818 230 A HN 0.498 nan 8.150 nan 0.000 0.443 231 R N -0.378 120.168 120.500 0.078 0.000 2.083 231 R HA -0.130 4.210 4.340 0.000 0.000 0.237 231 R C 2.281 178.608 176.300 0.046 0.000 1.137 231 R CA 1.645 57.776 56.100 0.051 0.000 0.951 231 R CB -0.424 29.898 30.300 0.038 0.000 0.851 231 R HN 0.438 nan 8.270 nan 0.000 0.434 232 A N 0.187 123.034 122.820 0.044 0.000 1.855 232 A HA -0.114 4.206 4.320 0.000 0.000 0.215 232 A C 1.998 179.544 177.584 -0.064 0.000 1.191 232 A CA 1.183 53.200 52.037 -0.033 0.000 0.613 232 A CB -0.792 18.156 19.000 -0.087 0.000 0.829 232 A HN 0.393 nan 8.150 nan 0.000 0.442 233 F N 0.241 120.191 119.950 -0.001 0.000 2.202 233 F HA -0.191 4.336 4.527 -0.000 0.000 0.301 233 F C 2.161 177.958 175.800 -0.004 0.000 1.082 233 F CA 1.843 59.845 58.000 0.004 0.000 1.313 233 F CB -0.248 38.755 39.000 0.004 0.000 1.024 233 F HN 0.300 nan 8.300 nan 0.000 0.495 234 D N -0.101 120.389 120.400 0.150 0.000 2.103 234 D HA -0.122 4.518 4.640 0.000 0.000 0.199 234 D C 2.010 178.328 176.300 0.029 0.000 0.978 234 D CA 1.318 55.360 54.000 0.069 0.000 0.829 234 D CB -0.081 40.741 40.800 0.037 0.000 0.981 234 D HN 0.292 nan 8.370 nan 0.000 0.464 235 E N -0.122 120.086 120.200 0.013 0.000 2.106 235 E HA -0.104 4.246 4.350 0.000 0.000 0.192 235 E C 2.014 178.604 176.600 -0.017 0.000 0.984 235 E CA 0.771 57.167 56.400 -0.007 0.000 0.806 235 E CB 0.106 29.798 29.700 -0.013 0.000 0.750 235 E HN 0.264 nan 8.360 nan 0.000 0.458 236 K N -0.005 120.374 120.400 -0.035 0.000 2.243 236 K HA 0.020 4.340 4.320 0.000 0.000 0.201 236 K C 1.675 178.263 176.600 -0.021 0.000 1.051 236 K CA 0.613 56.869 56.287 -0.050 0.000 0.970 236 K CB 0.691 33.125 32.500 -0.111 0.000 0.755 236 K HN -0.028 nan 8.250 nan 0.000 0.465 237 V N -0.955 118.967 119.914 0.013 0.000 3.103 237 V HA 0.248 4.368 4.120 0.000 0.000 0.229 237 V C 0.306 176.422 176.094 0.038 0.000 1.304 237 V CA 0.273 62.604 62.300 0.051 0.000 1.298 237 V CB 1.047 32.949 31.823 0.131 0.000 1.093 237 V HN 0.372 nan 8.190 nan 0.000 0.489 238 G N 0.916 109.743 108.800 0.046 0.000 3.448 238 G HA2 0.002 3.962 3.960 0.000 0.000 0.685 238 G HA3 0.002 3.962 3.960 0.000 0.000 0.685 238 G C -1.025 173.888 174.900 0.020 0.000 1.151 238 G CA -0.316 44.794 45.100 0.016 0.000 1.023 238 G HN 0.311 nan 8.290 nan 0.000 0.499 239 V N 2.656 122.578 119.914 0.014 0.000 2.483 239 V HA 0.744 4.864 4.120 0.000 0.000 0.295 239 V C 1.494 177.555 176.094 -0.054 0.000 1.035 239 V CA 0.482 62.778 62.300 -0.007 0.000 0.896 239 V CB 1.770 33.593 31.823 0.000 0.000 0.986 239 V HN 1.363 nan 8.190 nan 0.000 0.447 240 T N 0.130 114.638 114.554 -0.075 0.000 2.990 240 T HA 0.478 4.828 4.350 0.000 0.000 0.250 240 T C 0.580 175.176 174.700 -0.174 0.000 1.041 240 T CA 0.460 62.504 62.100 -0.095 0.000 1.010 240 T CB 0.545 69.370 68.868 -0.072 0.000 1.003 240 T HN 1.062 nan 8.240 nan 0.000 0.499 241 G N 0.407 109.079 108.800 -0.214 0.000 2.506 241 G HA2 0.578 4.538 3.960 0.000 0.000 0.292 241 G HA3 0.578 4.538 3.960 0.000 0.000 0.292 241 G C -2.346 172.381 174.900 -0.288 0.000 1.425 241 G CA -1.066 43.758 45.100 -0.461 0.000 0.788 241 G HN 0.311 nan 8.290 nan 0.000 0.490 242 L N -0.601 120.411 121.223 -0.351 0.000 2.371 242 L HA 0.792 5.132 4.340 0.000 0.000 0.262 242 L C -0.483 176.300 176.870 -0.144 0.000 1.006 242 L CA -1.162 53.542 54.840 -0.226 0.000 0.818 242 L CB 2.514 44.404 42.059 -0.282 0.000 1.354 242 L HN 0.365 nan 8.230 nan 0.000 0.415 243 V N 2.567 122.434 119.914 -0.080 0.000 2.487 243 V HA 0.421 4.541 4.120 0.000 0.000 0.298 243 V C -0.805 175.241 176.094 -0.079 0.000 1.028 243 V CA -0.514 61.778 62.300 -0.013 0.000 0.860 243 V CB 2.044 33.912 31.823 0.076 0.000 0.991 243 V HN 0.430 nan 8.190 nan 0.000 0.427 244 L N 5.956 127.122 121.223 -0.096 0.000 2.262 244 L HA 0.666 5.006 4.340 0.000 0.000 0.288 244 L C 0.569 177.434 176.870 -0.008 0.000 1.035 244 L CA 0.487 55.275 54.840 -0.088 0.000 0.820 244 L CB 1.385 43.356 42.059 -0.146 0.000 1.204 244 L HN 0.929 nan 8.230 nan 0.000 0.424 245 T N 0.654 115.201 114.554 -0.011 0.000 2.936 245 T HA 0.503 4.853 4.350 0.000 0.000 0.282 245 T C 0.228 174.937 174.700 0.014 0.000 1.003 245 T CA -0.634 61.471 62.100 0.008 0.000 1.005 245 T CB 1.110 69.975 68.868 -0.004 0.000 1.097 245 T HN 0.594 nan 8.240 nan 0.000 0.532 246 K N -0.079 120.333 120.400 0.020 0.000 3.192 246 K HA -0.131 4.189 4.320 0.000 0.000 0.278 246 K C 0.666 177.283 176.600 0.029 0.000 1.164 246 K CA 0.499 56.798 56.287 0.020 0.000 0.816 246 K CB -2.163 30.343 32.500 0.011 0.000 1.256 246 K HN 0.582 nan 8.250 nan 0.000 0.497 247 L N 0.887 122.137 121.223 0.044 0.000 2.610 247 L HA -0.082 4.258 4.340 0.000 0.000 0.232 247 L C 1.893 178.794 176.870 0.051 0.000 1.149 247 L CA 0.796 55.670 54.840 0.057 0.000 0.872 247 L CB -0.206 41.907 42.059 0.090 0.000 0.992 247 L HN 0.296 nan 8.230 nan 0.000 0.447 248 D N -0.544 119.881 120.400 0.041 0.000 2.363 248 D HA -0.026 4.614 4.640 0.000 0.000 0.220 248 D C 1.173 177.488 176.300 0.026 0.000 0.994 248 D CA 0.381 54.401 54.000 0.034 0.000 0.890 248 D CB -0.167 40.651 40.800 0.031 0.000 0.906 248 D HN 0.172 nan 8.370 nan 0.000 0.530 249 G N 1.217 110.032 108.800 0.025 0.000 2.516 249 G HA2 0.205 4.165 3.960 0.000 0.000 0.276 249 G HA3 0.205 4.165 3.960 0.000 0.000 0.276 249 G C 0.291 175.203 174.900 0.021 0.000 1.390 249 G CA 0.141 45.252 45.100 0.020 0.000 1.050 249 G HN 0.175 nan 8.290 nan 0.000 0.519 250 D N -1.578 118.832 120.400 0.017 0.000 2.431 250 D HA 0.344 4.984 4.640 0.000 0.000 0.213 250 D C 1.125 177.434 176.300 0.015 0.000 1.130 250 D CA 0.047 54.057 54.000 0.017 0.000 0.834 250 D CB -0.205 40.603 40.800 0.013 0.000 0.985 250 D HN 0.483 nan 8.370 nan 0.000 0.504 251 A N 1.130 123.958 122.820 0.014 0.000 2.531 251 A HA 0.098 4.418 4.320 0.000 0.000 0.236 251 A C 1.455 179.048 177.584 0.016 0.000 1.062 251 A CA -0.227 51.817 52.037 0.011 0.000 0.760 251 A CB 0.525 19.530 19.000 0.009 0.000 0.995 251 A HN 0.019 nan 8.150 nan 0.000 0.501 252 R N 1.886 122.392 120.500 0.011 0.000 2.115 252 R HA -0.018 4.322 4.340 0.000 0.000 0.230 252 R C 1.520 177.831 176.300 0.019 0.000 1.111 252 R CA 1.144 57.252 56.100 0.013 0.000 0.976 252 R CB -0.706 29.596 30.300 0.003 0.000 0.870 252 R HN 1.786 nan 8.270 nan 0.000 0.445 253 G N -0.860 107.947 108.800 0.011 0.000 2.131 253 G HA2 -0.218 3.742 3.960 0.000 0.000 0.223 253 G HA3 -0.218 3.742 3.960 0.000 0.000 0.223 253 G C 0.940 175.838 174.900 -0.003 0.000 0.990 253 G CA 0.403 45.512 45.100 0.015 0.000 0.671 253 G HN 0.492 nan 8.290 nan 0.000 0.521 254 G N 0.517 109.304 108.800 -0.021 0.000 2.479 254 G HA2 0.202 4.162 3.960 0.000 0.000 0.220 254 G HA3 0.202 4.162 3.960 0.000 0.000 0.220 254 G C 1.922 176.791 174.900 -0.051 0.000 1.115 254 G CA 2.235 47.307 45.100 -0.047 0.000 0.757 254 G HN 1.633 nan 8.290 nan 0.000 0.560 255 A N 1.091 123.887 122.820 -0.041 0.000 2.024 255 A HA 0.191 4.511 4.320 0.000 0.000 0.220 255 A C 2.763 180.311 177.584 -0.060 0.000 1.164 255 A CA 2.115 54.125 52.037 -0.045 0.000 0.643 255 A CB -0.583 18.393 19.000 -0.039 0.000 0.806 255 A HN 0.755 nan 8.150 nan 0.000 0.451 256 A N -0.628 122.150 122.820 -0.071 0.000 1.933 256 A HA -0.006 4.314 4.320 0.000 0.000 0.218 256 A C 2.089 179.625 177.584 -0.079 0.000 1.175 256 A CA 1.674 53.645 52.037 -0.110 0.000 0.628 256 A CB -0.477 18.445 19.000 -0.131 0.000 0.814 256 A HN 0.677 nan 8.150 nan 0.000 0.444 257 L N -0.088 121.103 121.223 -0.054 0.000 2.072 257 L HA -0.053 4.287 4.340 0.000 0.000 0.205 257 L C 2.492 179.355 176.870 -0.012 0.000 1.079 257 L CA 2.479 57.294 54.840 -0.042 0.000 0.752 257 L CB -0.732 41.268 42.059 -0.099 0.000 0.906 257 L HN 0.289 nan 8.230 nan 0.000 0.436 258 S N 0.203 115.883 115.700 -0.033 0.000 2.359 258 S HA -0.214 4.256 4.470 0.000 0.000 0.224 258 S C 2.096 176.715 174.600 0.030 0.000 1.035 258 S CA 1.350 59.545 58.200 -0.008 0.000 1.018 258 S CB -0.807 62.378 63.200 -0.025 0.000 0.876 258 S HN 0.669 nan 8.310 nan 0.000 0.448 259 A N 1.566 124.379 122.820 -0.012 0.000 1.873 259 A HA -0.070 4.250 4.320 0.000 0.000 0.215 259 A C 2.115 179.681 177.584 -0.030 0.000 1.186 259 A CA 1.587 53.608 52.037 -0.026 0.000 0.616 259 A CB -0.541 18.415 19.000 -0.072 0.000 0.823 259 A HN 0.424 nan 8.150 nan 0.000 0.442 260 R N -1.438 119.036 120.500 -0.043 0.000 2.092 260 R HA -0.191 4.149 4.340 0.000 0.000 0.231 260 R C 2.120 178.422 176.300 0.003 0.000 1.119 260 R CA 1.770 57.840 56.100 -0.049 0.000 0.970 260 R CB -0.448 29.814 30.300 -0.063 0.000 0.864 260 R HN 0.780 nan 8.270 nan 0.000 0.440 261 H N -0.600 118.449 119.070 -0.034 0.000 2.319 261 H HA -0.110 4.446 4.556 0.000 0.000 0.299 261 H C 1.762 177.081 175.328 -0.014 0.000 1.092 261 H CA 2.058 58.099 56.048 -0.011 0.000 1.302 261 H CB -0.078 29.686 29.762 0.003 0.000 1.373 261 H HN 0.092 nan 8.280 nan 0.000 0.497 262 V N 0.039 119.984 119.914 0.053 0.000 3.052 262 V HA -0.068 4.052 4.120 0.000 0.000 0.254 262 V C 2.098 178.165 176.094 -0.046 0.000 1.100 262 V CA 1.908 64.212 62.300 0.007 0.000 1.112 262 V CB -0.258 31.617 31.823 0.087 0.000 0.738 262 V HN 0.875 nan 8.190 nan 0.000 0.469 263 T N -3.999 110.525 114.554 -0.049 0.000 3.023 263 T HA 0.248 4.598 4.350 0.000 0.000 0.249 263 T C 1.694 176.343 174.700 -0.084 0.000 1.050 263 T CA 0.986 63.050 62.100 -0.061 0.000 1.088 263 T CB 0.389 69.222 68.868 -0.059 0.000 0.946 263 T HN 1.179 nan 8.240 nan 0.000 0.480 264 G N 2.088 110.830 108.800 -0.096 0.000 2.166 264 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 264 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 264 G C -0.021 174.814 174.900 -0.109 0.000 0.986 264 G CA 0.320 45.362 45.100 -0.097 0.000 0.683 264 G HN 0.631 nan 8.290 nan 0.000 0.527 265 K N 0.681 121.000 120.400 -0.136 0.000 2.098 265 K HA 0.499 4.819 4.320 0.000 0.000 0.258 265 K C -2.286 174.152 176.600 -0.270 0.000 0.973 265 K CA -2.199 53.972 56.287 -0.195 0.000 0.898 265 K CB 1.611 33.991 32.500 -0.201 0.000 1.057 265 K HN 0.108 nan 8.250 nan 0.000 0.447 266 P HA 0.194 nan 4.420 nan 0.000 0.271 266 P C -0.278 176.651 177.300 -0.618 0.000 1.216 266 P CA -0.084 62.739 63.100 -0.463 0.000 0.776 266 P CB 0.403 31.768 31.700 -0.557 0.000 0.881 267 I N 3.783 124.084 120.570 -0.449 0.000 2.291 267 I HA 0.085 4.255 4.170 0.000 0.000 0.292 267 I C 1.133 177.046 176.117 -0.340 0.000 1.064 267 I CA -0.406 60.562 61.300 -0.553 0.000 1.269 267 I CB 0.121 37.500 38.000 -1.035 0.000 1.418 267 I HN 0.298 nan 8.210 nan 0.000 0.485 268 Y N 5.467 125.599 120.300 -0.280 0.000 2.206 268 Y HA 0.138 4.688 4.550 0.000 0.000 0.292 268 Y C 0.576 176.114 175.900 -0.603 0.000 1.123 268 Y CA 0.740 58.578 58.100 -0.437 0.000 1.142 268 Y CB -0.077 38.110 38.460 -0.455 0.000 1.006 268 Y HN 0.296 nan 8.280 nan 0.000 0.518 269 F N -1.606 118.397 119.950 0.089 0.000 2.603 269 F HA 0.690 5.217 4.527 0.000 0.000 0.317 269 F C -0.318 175.499 175.800 0.029 0.000 1.066 269 F CA -1.891 56.122 58.000 0.022 0.000 0.941 269 F CB 1.346 40.327 39.000 -0.032 0.000 1.291 269 F HN -0.278 nan 8.300 nan 0.000 0.472 270 A N 0.822 123.814 122.820 0.286 0.000 2.318 270 A HA 0.721 5.041 4.320 0.000 0.000 0.317 270 A C -0.232 177.437 177.584 0.142 0.000 1.159 270 A CA -0.551 51.614 52.037 0.213 0.000 0.799 270 A CB 0.671 19.830 19.000 0.265 0.000 1.194 270 A HN 0.946 nan 8.150 nan 0.000 0.479 271 G N 0.534 109.389 108.800 0.091 0.000 2.339 271 G HA2 0.493 4.453 3.960 0.000 0.000 0.287 271 G HA3 0.493 4.453 3.960 0.000 0.000 0.287 271 G C 0.426 175.362 174.900 0.059 0.000 1.163 271 G CA 0.309 45.441 45.100 0.054 0.000 0.872 271 G HN 1.674 nan 8.290 nan 0.000 0.464 272 V N -0.198 119.748 119.914 0.054 0.000 3.398 272 V HA 0.545 4.665 4.120 0.000 0.000 0.298 272 V C 0.539 176.656 176.094 0.040 0.000 1.496 272 V CA 0.628 62.961 62.300 0.055 0.000 1.044 272 V CB -0.635 31.230 31.823 0.070 0.000 0.880 272 V HN 1.018 nan 8.190 nan 0.000 0.443 273 S N -0.217 115.501 115.700 0.030 0.000 2.636 273 S HA 0.397 4.867 4.470 0.000 0.000 0.268 273 S C 0.388 174.997 174.600 0.016 0.000 1.159 273 S CA 0.207 58.420 58.200 0.022 0.000 0.815 273 S CB 1.507 64.721 63.200 0.022 0.000 1.130 273 S HN 0.381 nan 8.310 nan 0.000 0.471 274 E N 0.492 120.699 120.200 0.013 0.000 2.511 274 E HA 0.122 4.472 4.350 0.000 0.000 0.196 274 E C -0.262 176.342 176.600 0.007 0.000 1.066 274 E CA 0.315 56.720 56.400 0.009 0.000 0.871 274 E CB -0.302 29.403 29.700 0.008 0.000 0.863 274 E HN 0.556 nan 8.360 nan 0.000 0.520 275 K N 1.179 121.585 120.400 0.009 0.000 2.087 275 K HA 0.269 4.589 4.320 0.000 0.000 0.255 275 K C -1.935 174.669 176.600 0.007 0.000 0.988 275 K CA -2.146 54.146 56.287 0.008 0.000 0.915 275 K CB 1.034 33.541 32.500 0.011 0.000 1.043 275 K HN -0.286 nan 8.250 nan 0.000 0.457 276 P HA -0.181 nan 4.420 nan 0.000 0.217 276 P C -0.023 177.282 177.300 0.009 0.000 1.148 276 P CA 1.278 64.381 63.100 0.004 0.000 0.828 276 P CB 0.275 31.978 31.700 0.005 0.000 0.783 277 E N -1.316 118.893 120.200 0.016 0.000 2.481 277 E HA 0.090 4.440 4.350 0.000 0.000 0.195 277 E C 1.567 178.186 176.600 0.031 0.000 1.047 277 E CA 0.325 56.741 56.400 0.028 0.000 0.867 277 E CB -0.925 28.792 29.700 0.029 0.000 0.858 277 E HN 0.125 nan 8.360 nan 0.000 0.513 278 G N 1.024 109.836 108.800 0.020 0.000 3.455 278 G HA2 0.278 4.238 3.960 0.000 0.000 0.250 278 G HA3 0.278 4.238 3.960 0.000 0.000 0.250 278 G C -0.559 174.351 174.900 0.017 0.000 1.071 278 G CA -0.183 44.931 45.100 0.025 0.000 1.812 278 G HN 0.062 nan 8.290 nan 0.000 0.643 279 L N -0.389 120.839 121.223 0.008 0.000 2.385 279 L HA 0.640 4.980 4.340 0.000 0.000 0.273 279 L C -0.692 176.190 176.870 0.019 0.000 0.990 279 L CA -0.603 54.214 54.840 -0.037 0.000 0.821 279 L CB 2.082 44.022 42.059 -0.197 0.000 1.279 279 L HN 0.214 nan 8.230 nan 0.000 0.412 280 E N 4.788 125.045 120.200 0.096 0.000 2.369 280 E HA 0.505 4.855 4.350 0.000 0.000 0.270 280 E C -2.596 174.118 176.600 0.191 0.000 0.909 280 E CA -2.194 54.299 56.400 0.154 0.000 0.775 280 E CB 1.721 31.536 29.700 0.190 0.000 1.270 280 E HN 0.370 nan 8.360 nan 0.000 0.445 281 P HA -0.052 nan 4.420 nan 0.000 0.267 281 P C -0.964 176.127 177.300 -0.348 0.000 1.200 281 P CA 0.069 63.034 63.100 -0.226 0.000 0.772 281 P CB 0.275 31.762 31.700 -0.354 0.000 0.855 282 F N 3.617 123.303 119.950 -0.440 0.000 2.412 282 F HA 0.328 4.856 4.527 0.000 0.000 0.348 282 F C -0.679 174.830 175.800 -0.485 0.000 1.102 282 F CA -0.140 57.670 58.000 -0.318 0.000 1.196 282 F CB 0.222 39.115 39.000 -0.179 0.000 1.144 282 F HN 0.240 nan 8.300 nan 0.000 0.541 283 Y N 7.576 127.398 120.300 -0.797 0.000 2.388 283 Y HA 0.332 4.882 4.550 0.000 0.000 0.328 283 Y C -1.833 173.505 175.900 -0.937 0.000 0.963 283 Y CA -2.268 55.465 58.100 -0.613 0.000 1.240 283 Y CB 1.086 39.364 38.460 -0.304 0.000 1.118 283 Y HN 0.485 nan 8.280 nan 0.000 0.484 284 P HA -0.233 nan 4.420 nan 0.000 0.216 284 P C 1.354 178.525 177.300 -0.215 0.000 1.150 284 P CA 1.818 64.689 63.100 -0.380 0.000 0.837 284 P CB 0.335 31.986 31.700 -0.082 0.000 0.786 285 E N 0.134 120.259 120.200 -0.125 0.000 2.110 285 E HA -0.243 4.107 4.350 0.000 0.000 0.193 285 E C 2.184 178.790 176.600 0.009 0.000 0.988 285 E CA 1.002 57.382 56.400 -0.033 0.000 0.804 285 E CB -0.597 29.145 29.700 0.070 0.000 0.745 285 E HN 0.157 nan 8.360 nan 0.000 0.458 286 R N 0.051 120.516 120.500 -0.058 0.000 2.093 286 R HA -0.028 4.312 4.340 0.000 0.000 0.224 286 R C 2.456 178.743 176.300 -0.023 0.000 1.101 286 R CA 0.734 56.814 56.100 -0.034 0.000 0.979 286 R CB -0.102 30.175 30.300 -0.039 0.000 0.877 286 R HN 0.250 nan 8.270 nan 0.000 0.441 287 L N 0.419 121.591 121.223 -0.086 0.000 2.072 287 L HA 0.017 4.358 4.340 0.000 0.000 0.205 287 L C 2.210 179.101 176.870 0.035 0.000 1.079 287 L CA 1.845 56.704 54.840 0.032 0.000 0.752 287 L CB -0.507 41.669 42.059 0.195 0.000 0.906 287 L HN 0.176 nan 8.230 nan 0.000 0.436 288 A N -0.321 122.495 122.820 -0.007 0.000 1.884 288 A HA -0.232 4.088 4.320 0.000 0.000 0.219 288 A C 2.348 179.992 177.584 0.099 0.000 1.197 288 A CA 2.056 54.083 52.037 -0.018 0.000 0.637 288 A CB -1.738 17.137 19.000 -0.208 0.000 0.827 288 A HN 0.527 nan 8.150 nan 0.000 0.450 289 G N -1.128 107.775 108.800 0.171 0.000 2.422 289 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 289 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 289 G C 1.736 176.686 174.900 0.083 0.000 1.146 289 G CA 1.071 46.269 45.100 0.163 0.000 0.769 289 G HN 0.578 nan 8.290 nan 0.000 0.547 290 R N 0.054 120.590 120.500 0.061 0.000 2.066 290 R HA 0.040 4.380 4.340 0.000 0.000 0.232 290 R C 2.577 178.898 176.300 0.035 0.000 1.131 290 R CA 1.132 57.259 56.100 0.045 0.000 0.955 290 R CB -0.345 29.985 30.300 0.049 0.000 0.851 290 R HN 0.410 nan 8.270 nan 0.000 0.432 291 I N 1.011 121.599 120.570 0.030 0.000 2.208 291 I HA -0.307 3.863 4.170 0.000 0.000 0.245 291 I C 1.946 178.069 176.117 0.011 0.000 1.097 291 I CA 1.306 62.610 61.300 0.006 0.000 1.363 291 I CB -0.104 37.881 38.000 -0.025 0.000 1.051 291 I HN 0.249 nan 8.210 nan 0.000 0.413 292 L N 0.216 121.462 121.223 0.037 0.000 2.554 292 L HA 0.147 4.487 4.340 0.000 0.000 0.226 292 L C 1.407 178.302 176.870 0.042 0.000 1.137 292 L CA 0.534 55.405 54.840 0.051 0.000 0.863 292 L CB -0.435 41.685 42.059 0.103 0.000 0.985 292 L HN 0.505 nan 8.230 nan 0.000 0.451 293 G N 0.303 109.124 108.800 0.035 0.000 2.182 293 G HA2 -0.279 3.682 3.960 0.000 0.000 0.248 293 G HA3 -0.279 3.682 3.960 0.000 0.000 0.248 293 G C 0.220 175.132 174.900 0.020 0.000 1.042 293 G CA 0.024 45.139 45.100 0.024 0.000 0.775 293 G HN 0.197 nan 8.290 nan 0.000 0.501 294 M N 0.000 119.615 119.600 0.025 0.000 2.572 294 M HA 0.000 4.480 4.480 0.000 0.000 0.227 294 M CA 0.000 55.304 55.300 0.007 0.000 0.988 294 M CB 0.000 32.602 32.600 0.003 0.000 1.302 294 M HN 0.000 nan 8.290 nan 0.000 0.411