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 2eiv_1_M DATA FIRST_RESID 2 DATA SEQUENCE ERVAVVGVPM DLXXXXXGVD MGPSALRYAR LLEQLEDLGY TVEDLGDVPV DATA SEQUENCE SXXXXXXXXX XXLAYLEEIR AAALVLKERL AALPEGVFPI VLGGDHSLSM DATA SEQUENCE GSVAGAARGR RVGVVWVDAH ADFNTPETSX SGNVHGMPLA VLSGLGHPRL DATA SEQUENCE TEVFRAVDPK DVVLVGVRSL DPGEKRLLKE AGVRVYTMHE VDRLGVARIA DATA SEQUENCE EEVLKHLQGL PLHVSLDADV LDPTLAPGVG TPVPGGLTYR EAHLLMEILA DATA SEQUENCE ESGRVQSLDL VEVNPILDER NRTAEMLVGL ALSLLGKRIF 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.474 176.600 -0.211 0.000 1.382 2 E CA 0.000 56.210 56.400 -0.317 0.000 0.976 2 E CB 0.000 29.596 29.700 -0.173 0.000 0.812 3 R N 0.830 121.315 120.500 -0.025 0.000 2.540 3 R HA 0.789 5.128 4.340 -0.000 0.000 0.287 3 R C -1.157 175.255 176.300 0.186 0.000 0.980 3 R CA -0.882 55.254 56.100 0.059 0.000 0.966 3 R CB 2.424 32.759 30.300 0.059 0.000 1.106 3 R HN -0.041 nan 8.270 nan 0.000 0.480 4 V N 1.541 121.575 119.914 0.200 0.000 2.638 4 V HA 0.524 4.643 4.120 -0.000 0.000 0.306 4 V C -0.791 175.404 176.094 0.169 0.000 1.052 4 V CA -0.796 61.660 62.300 0.260 0.000 0.885 4 V CB 1.940 33.919 31.823 0.261 0.000 0.999 4 V HN 0.901 nan 8.190 nan 0.000 0.424 5 A N 4.886 127.806 122.820 0.167 0.000 2.394 5 A HA 0.727 5.046 4.320 -0.000 0.000 0.333 5 A C -0.594 177.045 177.584 0.091 0.000 1.397 5 A CA -0.384 51.715 52.037 0.103 0.000 0.884 5 A CB 0.754 19.801 19.000 0.078 0.000 1.147 5 A HN 0.621 nan 8.150 nan 0.000 0.505 6 V N 2.534 122.490 119.914 0.070 0.000 2.546 6 V HA 0.515 4.635 4.120 -0.000 0.000 0.284 6 V C -0.123 175.991 176.094 0.034 0.000 1.050 6 V CA 0.016 62.345 62.300 0.049 0.000 0.981 6 V CB 1.449 33.289 31.823 0.030 0.000 0.990 6 V HN 0.730 nan 8.190 nan 0.000 0.474 7 V N 4.525 124.456 119.914 0.029 0.000 2.817 7 V HA 0.831 4.951 4.120 -0.000 0.000 0.303 7 V C 0.113 176.218 176.094 0.018 0.000 1.151 7 V CA 0.168 62.482 62.300 0.023 0.000 0.929 7 V CB 2.118 33.959 31.823 0.030 0.000 1.030 7 V HN 0.951 nan 8.190 nan 0.000 0.427 8 G N 3.468 112.276 108.800 0.013 0.000 2.488 8 G HA2 0.624 4.584 3.960 -0.000 0.000 0.318 8 G HA3 0.624 4.584 3.960 -0.000 0.000 0.318 8 G C -1.066 173.842 174.900 0.012 0.000 1.188 8 G CA -0.505 44.600 45.100 0.009 0.000 0.944 8 G HN 1.115 nan 8.290 nan 0.000 0.495 9 V N 1.366 121.285 119.914 0.008 0.000 2.670 9 V HA 0.207 4.327 4.120 -0.000 0.000 0.258 9 V C -2.344 173.752 176.094 0.003 0.000 0.906 9 V CA -0.937 61.369 62.300 0.009 0.000 0.887 9 V CB 1.849 33.681 31.823 0.014 0.000 1.059 9 V HN 0.555 nan 8.190 nan 0.000 0.484 10 P HA 0.038 nan 4.420 nan 0.000 0.229 10 P C -0.089 177.207 177.300 -0.008 0.000 1.597 10 P CA 0.557 63.656 63.100 -0.002 0.000 1.030 10 P CB -0.221 31.479 31.700 -0.001 0.000 1.897 11 M N 1.863 121.460 119.600 -0.006 0.000 2.063 11 M HA 0.267 4.747 4.480 -0.000 0.000 0.348 11 M C -0.565 175.733 176.300 -0.003 0.000 1.180 11 M CA 0.006 55.303 55.300 -0.005 0.000 1.059 11 M CB 0.585 33.189 32.600 0.006 0.000 1.544 11 M HN -0.259 nan 8.290 nan 0.000 0.447 12 D N 5.934 126.329 120.400 -0.008 0.000 2.400 12 D HA 0.392 5.032 4.640 -0.000 0.000 0.272 12 D C -1.327 174.978 176.300 0.009 0.000 1.220 12 D CA -0.023 53.979 54.000 0.004 0.000 0.897 12 D CB 0.594 41.391 40.800 -0.006 0.000 1.134 12 D HN 0.560 nan 8.370 nan 0.000 0.507 20 V N -0.148 119.754 119.914 -0.020 0.000 3.383 20 V HA -0.010 4.110 4.120 -0.000 0.000 0.272 20 V C 1.832 177.912 176.094 -0.023 0.000 1.181 20 V CA 1.411 63.691 62.300 -0.032 0.000 1.171 20 V CB -0.420 31.367 31.823 -0.059 0.000 0.800 20 V HN 0.707 nan 8.190 nan 0.000 0.515 21 D N 0.011 120.403 120.400 -0.014 0.000 2.352 21 D HA -0.062 4.577 4.640 -0.000 0.000 0.232 21 D C 1.423 177.723 176.300 -0.001 0.000 1.055 21 D CA 0.493 54.488 54.000 -0.009 0.000 0.891 21 D CB 0.208 41.003 40.800 -0.009 0.000 0.897 21 D HN 0.530 nan 8.370 nan 0.000 0.529 22 M N -0.495 119.105 119.600 -0.000 0.000 2.304 22 M HA 0.239 4.719 4.480 -0.000 0.000 0.281 22 M C 2.118 178.429 176.300 0.018 0.000 1.014 22 M CA 0.182 55.489 55.300 0.013 0.000 1.054 22 M CB 0.929 33.534 32.600 0.008 0.000 1.551 22 M HN -0.009 nan 8.290 nan 0.000 0.548 23 G N 2.720 111.521 108.800 0.001 0.000 2.606 23 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.221 23 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.221 23 G C -1.070 173.838 174.900 0.014 0.000 1.152 23 G CA 1.247 46.345 45.100 -0.002 0.000 0.765 23 G HN 0.292 nan 8.290 nan 0.000 0.595 24 P HA -0.127 nan 4.420 nan 0.000 0.213 24 P C 2.447 179.771 177.300 0.040 0.000 1.170 24 P CA 2.421 65.531 63.100 0.017 0.000 0.902 24 P CB -0.243 31.465 31.700 0.013 0.000 0.789 25 S N 0.023 115.768 115.700 0.075 0.000 2.353 25 S HA -0.229 4.241 4.470 -0.000 0.000 0.222 25 S C 2.117 176.875 174.600 0.263 0.000 1.035 25 S CA 1.485 59.783 58.200 0.163 0.000 1.025 25 S CB -1.634 61.692 63.200 0.209 0.000 0.902 25 S HN 0.159 nan 8.310 nan 0.000 0.440 26 A N 2.268 125.202 122.820 0.191 0.000 1.859 26 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 26 A C 2.267 179.939 177.584 0.147 0.000 1.209 26 A CA 1.938 54.078 52.037 0.172 0.000 0.639 26 A CB -1.197 17.844 19.000 0.069 0.000 0.835 26 A HN 0.462 nan 8.150 nan 0.000 0.450 27 L N -1.425 119.839 121.223 0.068 0.000 2.187 27 L HA -0.184 4.155 4.340 -0.000 0.000 0.213 27 L C 2.802 179.678 176.870 0.009 0.000 1.100 27 L CA 1.398 56.256 54.840 0.030 0.000 0.765 27 L CB -0.397 41.663 42.059 0.003 0.000 0.904 27 L HN 0.359 nan 8.230 nan 0.000 0.437 28 R N -1.399 119.093 120.500 -0.013 0.000 2.092 28 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 28 R C 2.203 178.375 176.300 -0.213 0.000 1.119 28 R CA 1.333 57.355 56.100 -0.130 0.000 0.970 28 R CB -0.209 29.970 30.300 -0.202 0.000 0.864 28 R HN 0.264 nan 8.270 nan 0.000 0.440 29 Y N -0.209 120.086 120.300 -0.009 0.000 2.314 29 Y HA -0.032 4.517 4.550 -0.000 0.000 0.293 29 Y C 2.186 178.081 175.900 -0.009 0.000 1.129 29 Y CA 0.950 59.045 58.100 -0.008 0.000 1.201 29 Y CB -0.147 38.307 38.460 -0.009 0.000 0.999 29 Y HN 0.080 nan 8.280 nan 0.000 0.541 30 A N 0.260 123.147 122.820 0.113 0.000 2.248 30 A HA -0.056 4.264 4.320 -0.000 0.000 0.210 30 A C 0.844 178.442 177.584 0.024 0.000 1.174 30 A CA 0.440 52.514 52.037 0.062 0.000 0.750 30 A CB -0.854 18.173 19.000 0.045 0.000 0.780 30 A HN 0.473 nan 8.150 nan 0.000 0.478 31 R N -2.608 117.890 120.500 -0.003 0.000 3.267 31 R HA -0.194 4.145 4.340 -0.000 0.000 0.254 31 R C 0.706 176.985 176.300 -0.035 0.000 0.993 31 R CA 0.505 56.584 56.100 -0.034 0.000 0.670 31 R CB -2.288 28.002 30.300 -0.018 0.000 1.125 31 R HN 0.504 nan 8.270 nan 0.000 0.434 32 L N 0.366 121.565 121.223 -0.040 0.000 2.012 32 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 32 L C 1.788 178.628 176.870 -0.050 0.000 1.073 32 L CA 1.976 56.791 54.840 -0.043 0.000 0.748 32 L CB -0.368 41.667 42.059 -0.039 0.000 0.891 32 L HN 0.446 nan 8.230 nan 0.000 0.431 33 L N -0.175 121.019 121.223 -0.048 0.000 1.915 33 L HA -0.267 4.073 4.340 -0.000 0.000 0.225 33 L C 2.522 179.373 176.870 -0.033 0.000 1.084 33 L CA 2.055 56.872 54.840 -0.038 0.000 0.788 33 L CB -0.994 41.039 42.059 -0.044 0.000 0.892 33 L HN 0.285 nan 8.230 nan 0.000 0.434 34 E N -0.348 119.833 120.200 -0.032 0.000 2.110 34 E HA -0.335 4.015 4.350 -0.000 0.000 0.225 34 E C 2.036 178.622 176.600 -0.023 0.000 1.063 34 E CA 2.085 58.472 56.400 -0.023 0.000 0.906 34 E CB -0.696 28.989 29.700 -0.024 0.000 0.795 34 E HN 0.520 nan 8.360 nan 0.000 0.479 35 Q N -0.050 119.731 119.800 -0.032 0.000 2.047 35 Q HA -0.225 4.115 4.340 -0.000 0.000 0.211 35 Q C 2.515 178.480 176.000 -0.059 0.000 1.005 35 Q CA 1.771 57.551 55.803 -0.039 0.000 0.866 35 Q CB -0.559 28.153 28.738 -0.042 0.000 0.938 35 Q HN 0.309 nan 8.270 nan 0.000 0.414 36 L N 0.578 121.748 121.223 -0.088 0.000 1.997 36 L HA -0.256 4.084 4.340 -0.000 0.000 0.216 36 L C 2.331 179.182 176.870 -0.032 0.000 1.074 36 L CA 1.487 56.240 54.840 -0.144 0.000 0.763 36 L CB -0.390 41.577 42.059 -0.154 0.000 0.890 36 L HN 0.309 nan 8.230 nan 0.000 0.434 37 E N -0.404 119.800 120.200 0.008 0.000 2.396 37 E HA -0.215 4.135 4.350 -0.000 0.000 0.200 37 E C 0.951 177.575 176.600 0.041 0.000 1.023 37 E CA 0.728 57.155 56.400 0.045 0.000 0.857 37 E CB 0.083 29.798 29.700 0.026 0.000 0.775 37 E HN 0.455 nan 8.360 nan 0.000 0.525 38 D N -0.354 120.056 120.400 0.018 0.000 2.340 38 D HA -0.029 4.610 4.640 -0.000 0.000 0.220 38 D C 0.897 177.216 176.300 0.033 0.000 1.039 38 D CA 0.207 54.217 54.000 0.017 0.000 0.866 38 D CB 0.582 41.381 40.800 -0.001 0.000 0.913 38 D HN 0.150 nan 8.370 nan 0.000 0.523 39 L N -0.901 120.362 121.223 0.067 0.000 2.672 39 L HA 0.308 4.648 4.340 -0.000 0.000 0.236 39 L C 1.550 178.565 176.870 0.242 0.000 1.092 39 L CA 0.589 55.502 54.840 0.122 0.000 0.887 39 L CB 0.468 42.548 42.059 0.036 0.000 1.168 39 L HN 0.159 nan 8.230 nan 0.000 0.502 40 G N -1.837 107.101 108.800 0.230 0.000 2.227 40 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.168 40 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.168 40 G C 0.002 174.929 174.900 0.045 0.000 1.006 40 G CA -0.397 44.766 45.100 0.106 0.000 0.684 40 G HN 0.204 nan 8.290 nan 0.000 0.489 41 Y N 2.950 123.231 120.300 -0.033 0.000 2.486 41 Y HA 0.424 4.974 4.550 -0.000 0.000 0.348 41 Y C 1.459 177.351 175.900 -0.014 0.000 1.000 41 Y CA 0.124 58.206 58.100 -0.030 0.000 1.253 41 Y CB 0.792 39.219 38.460 -0.054 0.000 1.140 41 Y HN 0.186 nan 8.280 nan 0.000 0.526 42 T N 1.285 115.873 114.554 0.056 0.000 2.784 42 T HA 0.364 4.714 4.350 -0.000 0.000 0.291 42 T C -0.177 174.570 174.700 0.079 0.000 0.942 42 T CA -0.728 61.400 62.100 0.047 0.000 1.161 42 T CB -0.106 68.771 68.868 0.014 0.000 0.885 42 T HN 0.298 nan 8.240 nan 0.000 0.534 43 V N 3.210 123.166 119.914 0.070 0.000 2.628 43 V HA 0.573 4.693 4.120 -0.000 0.000 0.306 43 V C 0.056 176.177 176.094 0.044 0.000 1.045 43 V CA -0.985 61.356 62.300 0.069 0.000 0.905 43 V CB 1.692 33.552 31.823 0.061 0.000 0.997 43 V HN 0.995 nan 8.190 nan 0.000 0.436 44 E N 2.249 122.477 120.200 0.046 0.000 2.191 44 E HA 0.251 4.601 4.350 -0.000 0.000 0.263 44 E C -1.489 175.127 176.600 0.026 0.000 0.881 44 E CA -0.579 55.839 56.400 0.031 0.000 0.757 44 E CB 1.563 31.282 29.700 0.032 0.000 1.147 44 E HN 0.770 nan 8.360 nan 0.000 0.414 45 D N 5.781 126.189 120.400 0.014 0.000 2.411 45 D HA 0.103 4.743 4.640 -0.000 0.000 0.225 45 D C 1.256 177.562 176.300 0.009 0.000 1.156 45 D CA -0.162 53.842 54.000 0.007 0.000 0.874 45 D CB 0.775 41.570 40.800 -0.008 0.000 1.034 45 D HN 0.574 nan 8.370 nan 0.000 0.502 46 L N 2.815 124.046 121.223 0.015 0.000 2.201 46 L HA 0.113 4.452 4.340 -0.000 0.000 0.212 46 L C 1.686 178.563 176.870 0.011 0.000 1.105 46 L CA 0.635 55.484 54.840 0.015 0.000 0.775 46 L CB -0.884 41.188 42.059 0.020 0.000 0.913 46 L HN 0.615 nan 8.230 nan 0.000 0.440 47 G N 0.027 108.831 108.800 0.007 0.000 2.445 47 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.212 47 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.212 47 G C -1.397 173.508 174.900 0.009 0.000 1.217 47 G CA -0.317 44.786 45.100 0.005 0.000 1.002 47 G HN 0.223 nan 8.290 nan 0.000 0.574 48 D N -0.882 119.523 120.400 0.009 0.000 2.601 48 D HA 0.582 5.222 4.640 -0.000 0.000 0.230 48 D C 0.128 176.435 176.300 0.012 0.000 1.106 48 D CA -0.246 53.760 54.000 0.011 0.000 0.873 48 D CB 2.114 42.920 40.800 0.009 0.000 1.515 48 D HN 0.466 nan 8.370 nan 0.000 0.468 49 V N 3.236 123.159 119.914 0.015 0.000 2.555 49 V HA 0.295 4.415 4.120 -0.000 0.000 0.286 49 V C -1.715 174.386 176.094 0.011 0.000 1.044 49 V CA -0.939 61.371 62.300 0.017 0.000 1.026 49 V CB 0.640 32.477 31.823 0.022 0.000 0.981 49 V HN 0.490 nan 8.190 nan 0.000 0.480 50 P HA 0.443 nan 4.420 nan 0.000 0.278 50 P C -1.265 176.035 177.300 0.001 0.000 1.238 50 P CA -0.214 62.889 63.100 0.004 0.000 0.794 50 P CB 1.600 33.303 31.700 0.005 0.000 0.955 51 V N -0.675 119.234 119.914 -0.008 0.000 2.760 51 V HA 0.887 5.006 4.120 -0.000 0.000 0.309 51 V C 0.163 176.237 176.094 -0.033 0.000 1.077 51 V CA -0.185 62.105 62.300 -0.017 0.000 0.910 51 V CB 0.598 32.409 31.823 -0.020 0.000 1.008 51 V HN 1.106 nan 8.190 nan 0.000 0.424 65 A N 0.371 123.087 122.820 -0.173 0.000 2.608 65 A HA 0.069 4.389 4.320 -0.000 0.000 0.246 65 A C -0.513 176.953 177.584 -0.197 0.000 0.998 65 A CA 0.805 52.662 52.037 -0.300 0.000 0.796 65 A CB -1.133 17.588 19.000 -0.466 0.000 0.895 65 A HN 0.655 nan 8.150 nan 0.000 0.508 66 Y N -0.527 119.751 120.300 -0.037 0.000 3.168 66 Y HA -0.194 4.356 4.550 -0.000 0.000 0.207 66 Y C 0.978 176.850 175.900 -0.047 0.000 1.280 66 Y CA 0.755 58.836 58.100 -0.031 0.000 1.235 66 Y CB -2.227 36.222 38.460 -0.018 0.000 1.370 66 Y HN 0.641 nan 8.280 nan 0.000 0.537 67 L N 0.330 121.585 121.223 0.053 0.000 2.109 67 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 67 L C 1.943 178.803 176.870 -0.015 0.000 1.086 67 L CA 1.703 56.525 54.840 -0.030 0.000 0.760 67 L CB 0.030 42.007 42.059 -0.137 0.000 0.910 67 L HN 0.319 nan 8.230 nan 0.000 0.437 68 E N -0.824 119.385 120.200 0.014 0.000 2.474 68 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 68 E C 1.137 177.761 176.600 0.041 0.000 1.039 68 E CA 0.198 56.616 56.400 0.030 0.000 0.881 68 E CB 0.411 30.130 29.700 0.031 0.000 0.970 68 E HN 0.588 nan 8.360 nan 0.000 0.486 69 E N 0.433 120.657 120.200 0.039 0.000 2.307 69 E HA 0.073 4.423 4.350 -0.000 0.000 0.195 69 E C 1.857 178.467 176.600 0.016 0.000 0.975 69 E CA -0.022 56.391 56.400 0.022 0.000 0.878 69 E CB 0.364 30.064 29.700 -0.001 0.000 0.845 69 E HN 0.062 nan 8.360 nan 0.000 0.488 70 I N 1.015 121.597 120.570 0.020 0.000 2.193 70 I HA -0.175 3.994 4.170 -0.000 0.000 0.240 70 I C 2.462 178.574 176.117 -0.007 0.000 1.084 70 I CA 1.303 62.602 61.300 -0.002 0.000 1.365 70 I CB -0.560 37.432 38.000 -0.012 0.000 1.064 70 I HN 0.099 nan 8.210 nan 0.000 0.410 71 R N 1.023 121.539 120.500 0.027 0.000 2.073 71 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 71 R C 2.381 178.790 176.300 0.182 0.000 1.134 71 R CA 1.691 57.876 56.100 0.142 0.000 0.952 71 R CB -0.196 30.221 30.300 0.194 0.000 0.850 71 R HN 0.299 nan 8.270 nan 0.000 0.433 72 A N 0.955 123.838 122.820 0.104 0.000 1.884 72 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 72 A C 2.387 180.024 177.584 0.090 0.000 1.197 72 A CA 2.275 54.362 52.037 0.084 0.000 0.637 72 A CB -1.110 17.919 19.000 0.048 0.000 0.827 72 A HN 0.595 nan 8.150 nan 0.000 0.450 73 A N -0.430 122.429 122.820 0.065 0.000 1.835 73 A HA 0.182 4.502 4.320 -0.000 0.000 0.215 73 A C 2.527 180.160 177.584 0.082 0.000 1.199 73 A CA 2.372 54.442 52.037 0.054 0.000 0.615 73 A CB -1.306 17.708 19.000 0.022 0.000 0.838 73 A HN 1.332 nan 8.150 nan 0.000 0.444 74 A N -1.184 121.678 122.820 0.069 0.000 2.186 74 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 74 A C 2.024 179.795 177.584 0.312 0.000 1.159 74 A CA 1.622 53.703 52.037 0.074 0.000 0.680 74 A CB -0.545 18.334 19.000 -0.201 0.000 0.787 74 A HN 0.574 nan 8.150 nan 0.000 0.467 75 L N -0.400 121.047 121.223 0.373 0.000 2.007 75 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 75 L C 2.381 179.341 176.870 0.150 0.000 1.073 75 L CA 1.858 56.877 54.840 0.300 0.000 0.744 75 L CB -0.591 41.578 42.059 0.183 0.000 0.898 75 L HN 0.140 nan 8.230 nan 0.000 0.435 76 V N 0.188 120.167 119.914 0.109 0.000 2.527 76 V HA -0.301 3.819 4.120 -0.000 0.000 0.255 76 V C 2.430 178.566 176.094 0.071 0.000 1.081 76 V CA 1.781 64.122 62.300 0.069 0.000 1.092 76 V CB -1.029 30.826 31.823 0.054 0.000 0.673 76 V HN 0.532 nan 8.190 nan 0.000 0.470 77 L N 0.657 121.937 121.223 0.095 0.000 1.993 77 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 77 L C 2.455 179.381 176.870 0.093 0.000 1.074 77 L CA 2.463 57.356 54.840 0.088 0.000 0.746 77 L CB -1.119 40.995 42.059 0.093 0.000 0.896 77 L HN 0.273 nan 8.230 nan 0.000 0.435 78 K N -0.306 120.175 120.400 0.136 0.000 2.071 78 K HA -0.312 4.007 4.320 -0.000 0.000 0.217 78 K C 1.895 178.530 176.600 0.058 0.000 1.054 78 K CA 2.635 58.990 56.287 0.112 0.000 0.937 78 K CB -0.284 32.297 32.500 0.134 0.000 0.719 78 K HN 0.571 nan 8.250 nan 0.000 0.454 79 E N -0.564 119.662 120.200 0.043 0.000 2.208 79 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 79 E C 2.056 178.672 176.600 0.026 0.000 0.988 79 E CA 0.461 56.875 56.400 0.023 0.000 0.828 79 E CB 0.025 29.732 29.700 0.012 0.000 0.763 79 E HN 0.139 nan 8.360 nan 0.000 0.478 80 R N 1.101 121.622 120.500 0.035 0.000 2.073 80 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 80 R C 1.879 178.198 176.300 0.032 0.000 1.120 80 R CA 1.131 57.250 56.100 0.031 0.000 0.967 80 R CB -0.715 29.605 30.300 0.035 0.000 0.862 80 R HN 0.235 nan 8.270 nan 0.000 0.436 81 L N 0.006 121.253 121.223 0.039 0.000 2.362 81 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 81 L C 1.944 178.831 176.870 0.029 0.000 1.134 81 L CA 0.938 55.801 54.840 0.037 0.000 0.807 81 L CB -0.266 41.822 42.059 0.049 0.000 0.927 81 L HN 0.265 nan 8.230 nan 0.000 0.447 82 A N -0.387 122.448 122.820 0.026 0.000 1.911 82 A HA 0.138 4.458 4.320 -0.000 0.000 0.212 82 A C 1.896 179.489 177.584 0.015 0.000 1.189 82 A CA 0.728 52.776 52.037 0.018 0.000 0.639 82 A CB -0.347 18.661 19.000 0.013 0.000 0.839 82 A HN 0.276 nan 8.150 nan 0.000 0.449 83 A N 0.187 123.017 122.820 0.016 0.000 2.478 83 A HA 0.495 4.815 4.320 -0.000 0.000 0.239 83 A C 0.127 177.720 177.584 0.016 0.000 1.480 83 A CA 0.225 52.270 52.037 0.014 0.000 1.308 83 A CB -0.912 18.096 19.000 0.014 0.000 0.899 83 A HN 0.372 nan 8.150 nan 0.000 0.600 84 L N 0.850 122.083 121.223 0.017 0.000 2.365 84 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 84 L C -2.221 174.660 176.870 0.017 0.000 1.000 84 L CA -2.119 52.732 54.840 0.019 0.000 0.819 84 L CB 2.185 44.257 42.059 0.021 0.000 1.284 84 L HN 0.140 nan 8.230 nan 0.000 0.418 85 P HA -0.026 nan 4.420 nan 0.000 0.267 85 P C -0.695 176.616 177.300 0.018 0.000 1.195 85 P CA 0.109 63.219 63.100 0.018 0.000 0.773 85 P CB 0.668 32.380 31.700 0.020 0.000 0.837 86 E N 0.187 120.397 120.200 0.016 0.000 2.167 86 E HA 0.438 4.788 4.350 -0.000 0.000 0.284 86 E C 0.699 177.312 176.600 0.021 0.000 1.016 86 E CA -0.008 56.402 56.400 0.016 0.000 0.817 86 E CB 0.097 29.805 29.700 0.013 0.000 1.080 86 E HN 0.731 nan 8.360 nan 0.000 0.397 87 G N 2.549 111.366 108.800 0.029 0.000 2.198 87 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.156 87 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.156 87 G C -0.192 174.747 174.900 0.064 0.000 1.012 87 G CA -0.423 44.702 45.100 0.042 0.000 0.692 87 G HN 0.473 nan 8.290 nan 0.000 0.492 88 V N 1.795 121.743 119.914 0.056 0.000 2.408 88 V HA 0.528 4.648 4.120 -0.000 0.000 0.267 88 V C 0.165 176.315 176.094 0.093 0.000 1.047 88 V CA -0.386 61.961 62.300 0.078 0.000 0.937 88 V CB 0.954 32.805 31.823 0.048 0.000 0.999 88 V HN 0.318 nan 8.190 nan 0.000 0.472 89 F N 9.730 129.716 119.950 0.060 0.000 2.424 89 F HA 0.566 5.093 4.527 -0.000 0.000 0.356 89 F C -2.100 173.736 175.800 0.059 0.000 1.110 89 F CA -1.936 56.107 58.000 0.072 0.000 1.161 89 F CB 1.489 40.560 39.000 0.119 0.000 1.115 89 F HN 0.321 nan 8.300 nan 0.000 0.507 90 P HA 0.417 nan 4.420 nan 0.000 0.307 90 P C -1.236 176.079 177.300 0.025 0.000 1.412 90 P CA -0.392 62.709 63.100 0.001 0.000 0.985 90 P CB 2.262 33.937 31.700 -0.041 0.000 1.098 91 I N 3.124 123.764 120.570 0.117 0.000 2.406 91 I HA 0.380 4.550 4.170 -0.000 0.000 0.290 91 I C -0.117 176.026 176.117 0.043 0.000 0.999 91 I CA -1.236 60.116 61.300 0.088 0.000 1.124 91 I CB 2.347 40.411 38.000 0.108 0.000 1.289 91 I HN -0.003 nan 8.210 nan 0.000 0.441 92 V N 6.900 126.827 119.914 0.022 0.000 2.347 92 V HA 0.347 4.467 4.120 -0.000 0.000 0.280 92 V C 0.157 176.252 176.094 0.001 0.000 1.021 92 V CA -0.651 61.662 62.300 0.021 0.000 0.847 92 V CB 1.245 33.091 31.823 0.039 0.000 0.990 92 V HN 0.484 nan 8.190 nan 0.000 0.444 93 L N 5.079 126.303 121.223 0.000 0.000 2.315 93 L HA 0.528 4.868 4.340 -0.000 0.000 0.283 93 L C 1.088 177.949 176.870 -0.015 0.000 1.089 93 L CA 0.173 55.006 54.840 -0.012 0.000 0.833 93 L CB 0.351 42.407 42.059 -0.006 0.000 1.170 93 L HN 0.772 nan 8.230 nan 0.000 0.442 94 G N 1.798 110.578 108.800 -0.034 0.000 2.477 94 G HA2 0.583 4.543 3.960 -0.000 0.000 0.304 94 G HA3 0.583 4.543 3.960 -0.000 0.000 0.304 94 G C 0.150 175.027 174.900 -0.038 0.000 1.175 94 G CA 0.126 45.204 45.100 -0.037 0.000 0.907 94 G HN 0.704 nan 8.290 nan 0.000 0.509 95 G N -0.906 107.876 108.800 -0.029 0.000 3.414 95 G HA2 0.384 4.344 3.960 -0.000 0.000 0.189 95 G HA3 0.384 4.344 3.960 -0.000 0.000 0.189 95 G C -0.332 174.543 174.900 -0.042 0.000 1.329 95 G CA -0.434 44.648 45.100 -0.030 0.000 0.851 95 G HN 0.524 nan 8.290 nan 0.000 0.671 96 D N -0.293 120.095 120.400 -0.021 0.000 2.429 96 D HA -0.040 4.599 4.640 -0.000 0.000 0.233 96 D C 0.651 176.977 176.300 0.043 0.000 1.202 96 D CA 0.562 54.549 54.000 -0.021 0.000 0.879 96 D CB 0.686 41.530 40.800 0.073 0.000 1.212 96 D HN 0.506 nan 8.370 nan 0.000 0.465 97 H N 0.303 119.334 119.070 -0.065 0.000 2.563 97 H HA -0.040 4.516 4.556 -0.000 0.000 0.272 97 H C 1.535 176.915 175.328 0.087 0.000 1.005 97 H CA 0.026 56.077 56.048 0.005 0.000 1.171 97 H CB 0.509 30.301 29.762 0.050 0.000 1.351 97 H HN 0.200 nan 8.280 nan 0.000 0.602 98 S N 0.801 116.623 115.700 0.203 0.000 2.351 98 S HA -0.211 4.259 4.470 -0.000 0.000 0.220 98 S C 2.227 176.851 174.600 0.039 0.000 1.035 98 S CA 1.349 59.610 58.200 0.101 0.000 1.031 98 S CB -0.405 62.838 63.200 0.072 0.000 0.928 98 S HN 0.562 nan 8.310 nan 0.000 0.433 99 L N 1.810 123.059 121.223 0.043 0.000 2.113 99 L HA -0.220 4.120 4.340 -0.000 0.000 0.221 99 L C 1.923 178.815 176.870 0.035 0.000 1.084 99 L CA 2.238 57.091 54.840 0.022 0.000 0.787 99 L CB -1.574 40.507 42.059 0.037 0.000 0.893 99 L HN 0.091 nan 8.230 nan 0.000 0.440 100 S N -0.092 115.665 115.700 0.095 0.000 2.392 100 S HA -0.265 4.205 4.470 -0.000 0.000 0.232 100 S C 1.801 176.452 174.600 0.085 0.000 1.041 100 S CA 2.308 60.583 58.200 0.125 0.000 1.026 100 S CB -0.498 62.808 63.200 0.177 0.000 0.845 100 S HN 0.600 nan 8.310 nan 0.000 0.465 101 M N 0.536 120.144 119.600 0.012 0.000 2.115 101 M HA -0.118 4.362 4.480 -0.000 0.000 0.258 101 M C 2.563 178.880 176.300 0.029 0.000 1.071 101 M CA 1.881 57.141 55.300 -0.066 0.000 1.100 101 M CB -1.342 31.011 32.600 -0.410 0.000 1.292 101 M HN 0.431 nan 8.290 nan 0.000 0.415 102 G N -0.079 108.690 108.800 -0.052 0.000 2.479 102 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 102 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 102 G C 1.687 176.673 174.900 0.144 0.000 1.115 102 G CA 1.426 46.635 45.100 0.181 0.000 0.757 102 G HN 0.603 nan 8.290 nan 0.000 0.560 103 S N -0.622 115.134 115.700 0.093 0.000 2.441 103 S HA 0.071 4.541 4.470 -0.000 0.000 0.224 103 S C 2.208 176.827 174.600 0.032 0.000 1.043 103 S CA 0.930 59.190 58.200 0.100 0.000 0.948 103 S CB -0.044 63.247 63.200 0.151 0.000 0.810 103 S HN 0.049 nan 8.310 nan 0.000 0.504 104 V N 2.477 122.332 119.914 -0.099 0.000 2.453 104 V HA 0.016 4.136 4.120 -0.000 0.000 0.247 104 V C 3.095 179.132 176.094 -0.095 0.000 1.048 104 V CA 1.502 63.601 62.300 -0.335 0.000 1.049 104 V CB -1.341 30.302 31.823 -0.301 0.000 0.672 104 V HN 0.660 nan 8.190 nan 0.000 0.457 105 A N 0.842 123.677 122.820 0.026 0.000 1.824 105 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 105 A C 2.482 180.092 177.584 0.043 0.000 1.209 105 A CA 1.874 53.950 52.037 0.064 0.000 0.614 105 A CB -1.604 17.492 19.000 0.160 0.000 0.852 105 A HN 0.498 nan 8.150 nan 0.000 0.447 106 G N -0.790 108.051 108.800 0.069 0.000 2.517 106 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.222 106 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.222 106 G C 1.562 176.484 174.900 0.037 0.000 1.109 106 G CA 1.826 46.958 45.100 0.053 0.000 0.746 106 G HN 0.905 nan 8.290 nan 0.000 0.576 107 A N 0.701 123.544 122.820 0.037 0.000 1.903 107 A HA 0.523 4.843 4.320 -0.000 0.000 0.213 107 A C 2.757 180.357 177.584 0.026 0.000 1.185 107 A CA 1.719 53.782 52.037 0.043 0.000 0.628 107 A CB -0.606 18.467 19.000 0.121 0.000 0.830 107 A HN 0.734 nan 8.150 nan 0.000 0.446 108 A N -0.492 122.336 122.820 0.014 0.000 2.015 108 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 108 A C 1.183 178.775 177.584 0.013 0.000 1.163 108 A CA 0.919 52.965 52.037 0.016 0.000 0.646 108 A CB -0.392 18.614 19.000 0.010 0.000 0.806 108 A HN 0.584 nan 8.150 nan 0.000 0.448 109 R N -2.296 118.211 120.500 0.011 0.000 3.209 109 R HA -0.187 4.153 4.340 -0.000 0.000 0.252 109 R C 0.936 177.239 176.300 0.005 0.000 0.958 109 R CA 0.334 56.438 56.100 0.008 0.000 0.651 109 R CB -2.701 27.604 30.300 0.008 0.000 1.142 109 R HN 1.602 nan 8.270 nan 0.000 0.441 110 G N -0.767 108.035 108.800 0.004 0.000 2.196 110 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.268 110 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.268 110 G C 0.315 175.219 174.900 0.007 0.000 0.975 110 G CA 0.661 45.763 45.100 0.003 0.000 0.648 110 G HN 0.361 nan 8.290 nan 0.000 0.538 111 R N 0.428 120.934 120.500 0.011 0.000 2.490 111 R HA 0.427 4.767 4.340 -0.000 0.000 0.278 111 R C 0.831 177.143 176.300 0.019 0.000 1.069 111 R CA -1.207 54.902 56.100 0.015 0.000 1.080 111 R CB 0.461 30.771 30.300 0.017 0.000 1.030 111 R HN 0.418 nan 8.270 nan 0.000 0.491 112 R N 2.789 123.301 120.500 0.020 0.000 2.309 112 R HA 0.157 4.497 4.340 -0.000 0.000 0.331 112 R C -0.380 175.940 176.300 0.035 0.000 1.116 112 R CA -0.235 55.880 56.100 0.025 0.000 0.970 112 R CB -0.169 30.143 30.300 0.020 0.000 1.024 112 R HN 0.370 nan 8.270 nan 0.000 0.472 113 V N 1.258 121.198 119.914 0.043 0.000 2.769 113 V HA 0.797 4.917 4.120 -0.000 0.000 0.312 113 V C 0.360 176.501 176.094 0.078 0.000 1.058 113 V CA -0.887 61.449 62.300 0.061 0.000 0.952 113 V CB 1.864 33.727 31.823 0.067 0.000 1.019 113 V HN 0.679 nan 8.190 nan 0.000 0.445 114 G N 1.533 110.393 108.800 0.099 0.000 2.335 114 G HA2 0.552 4.511 3.960 -0.000 0.000 0.316 114 G HA3 0.552 4.511 3.960 -0.000 0.000 0.316 114 G C -0.767 174.230 174.900 0.162 0.000 1.129 114 G CA -0.559 44.617 45.100 0.126 0.000 0.899 114 G HN 0.871 nan 8.290 nan 0.000 0.448 115 V N 3.319 123.343 119.914 0.184 0.000 2.385 115 V HA 0.139 4.259 4.120 -0.000 0.000 0.269 115 V C 0.202 176.466 176.094 0.282 0.000 1.043 115 V CA -0.468 61.986 62.300 0.256 0.000 0.906 115 V CB 1.393 33.387 31.823 0.284 0.000 0.995 115 V HN 0.493 nan 8.190 nan 0.000 0.467 116 V N 5.598 125.675 119.914 0.272 0.000 2.284 116 V HA 0.198 4.318 4.120 -0.000 0.000 0.260 116 V C -0.100 176.171 176.094 0.295 0.000 1.084 116 V CA -0.529 61.913 62.300 0.237 0.000 0.894 116 V CB 0.452 32.367 31.823 0.155 0.000 1.119 116 V HN 0.880 nan 8.190 nan 0.000 0.484 117 W N 6.018 127.393 121.300 0.126 0.000 2.332 117 W HA 0.526 5.186 4.660 -0.000 0.000 0.306 117 W C -0.819 175.774 176.519 0.122 0.000 1.149 117 W CA -0.569 56.861 57.345 0.141 0.000 1.271 117 W CB 1.755 31.297 29.460 0.137 0.000 1.243 117 W HN 0.375 nan 8.180 nan 0.000 0.459 118 V N 6.222 126.181 119.914 0.076 0.000 2.250 118 V HA 0.175 4.295 4.120 -0.000 0.000 0.268 118 V C -0.228 175.883 176.094 0.029 0.000 1.043 118 V CA -0.484 61.867 62.300 0.085 0.000 0.814 118 V CB 0.757 32.592 31.823 0.020 0.000 1.072 118 V HN 0.445 nan 8.190 nan 0.000 0.451 119 D N 2.679 123.205 120.400 0.211 0.000 2.477 119 D HA 0.680 5.320 4.640 -0.000 0.000 0.234 119 D C 0.853 177.288 176.300 0.224 0.000 1.048 119 D CA -0.076 54.081 54.000 0.262 0.000 0.959 119 D CB 3.029 44.197 40.800 0.614 0.000 1.408 119 D HN 0.302 nan 8.370 nan 0.000 0.496 120 A N 1.448 124.352 122.820 0.141 0.000 2.016 120 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 120 A C 0.567 178.080 177.584 -0.118 0.000 1.162 120 A CA 1.121 53.127 52.037 -0.050 0.000 0.662 120 A CB -0.501 18.377 19.000 -0.203 0.000 0.812 120 A HN 0.639 nan 8.150 nan 0.000 0.450 121 H N -2.864 116.327 119.070 0.201 0.000 2.530 121 H HA 0.645 5.201 4.556 -0.000 0.000 0.342 121 H C 1.132 176.602 175.328 0.237 0.000 1.312 121 H CA -0.001 56.165 56.048 0.196 0.000 1.376 121 H CB 0.963 30.852 29.762 0.212 0.000 1.692 121 H HN 0.096 nan 8.280 nan 0.000 0.622 122 A N -0.365 122.632 122.820 0.295 0.000 2.197 122 A HA 0.078 4.398 4.320 -0.000 0.000 0.210 122 A C 0.068 177.706 177.584 0.089 0.000 1.180 122 A CA 0.286 52.409 52.037 0.143 0.000 0.846 122 A CB -0.186 18.829 19.000 0.025 0.000 0.884 122 A HN 0.792 nan 8.150 nan 0.000 0.487 123 D N -1.933 118.590 120.400 0.204 0.000 2.702 123 D HA -0.212 4.428 4.640 -0.000 0.000 0.233 123 D C -0.236 176.053 176.300 -0.018 0.000 1.164 123 D CA 0.987 55.056 54.000 0.115 0.000 0.638 123 D CB -1.593 39.326 40.800 0.198 0.000 1.041 123 D HN 0.517 nan 8.370 nan 0.000 0.422 124 F N 0.498 120.366 119.950 -0.136 0.000 2.893 124 F HA 0.288 4.815 4.527 -0.000 0.000 0.340 124 F C 0.588 176.333 175.800 -0.090 0.000 1.300 124 F CA -0.629 57.274 58.000 -0.161 0.000 1.227 124 F CB 0.113 39.012 39.000 -0.169 0.000 1.044 124 F HN -0.215 nan 8.300 nan 0.000 0.512 125 N N -0.432 118.239 118.700 -0.047 0.000 2.491 125 N HA 0.649 5.388 4.740 -0.000 0.000 0.279 125 N C -0.553 174.885 175.510 -0.120 0.000 1.236 125 N CA -0.264 52.759 53.050 -0.045 0.000 0.982 125 N CB 1.171 39.650 38.487 -0.014 0.000 1.194 125 N HN 0.188 nan 8.380 nan 0.000 0.582 126 T N -3.297 111.215 114.554 -0.069 0.000 2.864 126 T HA 0.363 4.713 4.350 -0.000 0.000 0.299 126 T C -2.464 172.218 174.700 -0.029 0.000 1.166 126 T CA -1.495 60.568 62.100 -0.062 0.000 1.007 126 T CB 1.687 70.520 68.868 -0.058 0.000 1.219 126 T HN 0.126 nan 8.240 nan 0.000 0.506 127 P HA 0.023 nan 4.420 nan 0.000 0.226 127 P C 0.695 177.992 177.300 -0.004 0.000 1.146 127 P CA 0.916 64.021 63.100 0.008 0.000 0.773 127 P CB 0.225 31.962 31.700 0.061 0.000 0.772 128 E N -0.962 119.232 120.200 -0.010 0.000 2.110 128 E HA -0.080 4.269 4.350 -0.000 0.000 0.220 128 E C 1.908 178.505 176.600 -0.005 0.000 0.893 128 E CA 1.452 57.846 56.400 -0.009 0.000 1.027 128 E CB -1.325 28.368 29.700 -0.012 0.000 1.017 128 E HN 0.057 nan 8.360 nan 0.000 0.522 129 T N -0.959 113.596 114.554 0.001 0.000 3.052 129 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 129 T C 0.537 175.243 174.700 0.011 0.000 1.181 129 T CA 1.067 63.174 62.100 0.013 0.000 1.079 129 T CB -0.467 68.420 68.868 0.032 0.000 0.817 129 T HN 0.237 nan 8.240 nan 0.000 0.592 133 G N 1.456 110.217 108.800 -0.065 0.000 2.397 133 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.312 133 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.312 133 G C 0.192 175.023 174.900 -0.116 0.000 0.970 133 G CA 0.910 45.962 45.100 -0.080 0.000 0.770 133 G HN 0.911 nan 8.290 nan 0.000 0.513 134 N N -0.919 117.690 118.700 -0.151 0.000 2.475 134 N HA 0.327 5.067 4.740 -0.000 0.000 0.267 134 N C 1.711 177.075 175.510 -0.243 0.000 1.169 134 N CA -0.196 52.702 53.050 -0.254 0.000 0.947 134 N CB 1.127 39.387 38.487 -0.379 0.000 1.061 134 N HN -0.040 nan 8.380 nan 0.000 0.466 135 V N 2.299 122.086 119.914 -0.212 0.000 2.261 135 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 135 V C 1.482 177.526 176.094 -0.083 0.000 1.047 135 V CA 1.753 63.980 62.300 -0.121 0.000 1.015 135 V CB -0.987 30.807 31.823 -0.049 0.000 0.642 135 V HN 0.846 nan 8.190 nan 0.000 0.446 136 H N 0.326 119.401 119.070 0.008 0.000 2.606 136 H HA 0.311 4.867 4.556 -0.000 0.000 0.283 136 H C 1.194 176.538 175.328 0.026 0.000 1.084 136 H CA 0.596 56.666 56.048 0.036 0.000 1.191 136 H CB -0.749 29.062 29.762 0.082 0.000 1.289 136 H HN 0.330 nan 8.280 nan 0.000 0.628 137 G N -0.833 107.960 108.800 -0.011 0.000 3.695 137 G HA2 0.239 4.199 3.960 -0.000 0.000 0.277 137 G HA3 0.239 4.199 3.960 -0.000 0.000 0.277 137 G C 0.657 175.541 174.900 -0.027 0.000 1.001 137 G CA -0.177 44.928 45.100 0.008 0.000 0.837 137 G HN 0.449 nan 8.290 nan 0.000 0.492 138 M N -0.405 119.160 119.600 -0.059 0.000 2.279 138 M HA 0.230 4.710 4.480 -0.000 0.000 0.278 138 M C -1.248 174.950 176.300 -0.169 0.000 1.142 138 M CA -0.385 54.841 55.300 -0.124 0.000 1.119 138 M CB 0.628 33.158 32.600 -0.117 0.000 1.741 138 M HN -0.137 nan 8.290 nan 0.000 0.601 139 P HA -0.288 nan 4.420 nan 0.000 0.214 139 P C 1.459 178.623 177.300 -0.227 0.000 0.989 139 P CA 1.535 64.578 63.100 -0.094 0.000 1.008 139 P CB -0.232 31.512 31.700 0.073 0.000 0.747 140 L N -1.502 119.409 121.223 -0.521 0.000 2.261 140 L HA -0.131 4.209 4.340 -0.000 0.000 0.216 140 L C 2.163 178.792 176.870 -0.402 0.000 1.114 140 L CA 2.013 56.422 54.840 -0.719 0.000 0.777 140 L CB -1.409 39.741 42.059 -1.515 0.000 0.910 140 L HN -0.041 nan 8.230 nan 0.000 0.440 141 A N -1.872 120.630 122.820 -0.530 0.000 1.898 141 A HA -0.045 4.274 4.320 -0.000 0.000 0.214 141 A C 2.237 179.528 177.584 -0.487 0.000 1.183 141 A CA 1.306 52.763 52.037 -0.967 0.000 0.622 141 A CB -0.801 17.477 19.000 -1.202 0.000 0.824 141 A HN 0.199 nan 8.150 nan 0.000 0.444 142 V N 0.254 119.986 119.914 -0.303 0.000 2.392 142 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 142 V C 2.534 178.582 176.094 -0.076 0.000 1.059 142 V CA 2.075 64.286 62.300 -0.149 0.000 1.051 142 V CB -0.683 31.083 31.823 -0.095 0.000 0.658 142 V HN 0.568 nan 8.190 nan 0.000 0.455 143 L N -0.821 120.353 121.223 -0.081 0.000 2.141 143 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 143 L C 2.321 179.175 176.870 -0.027 0.000 1.094 143 L CA 1.358 56.189 54.840 -0.016 0.000 0.763 143 L CB -0.528 41.527 42.059 -0.007 0.000 0.908 143 L HN 0.150 nan 8.230 nan 0.000 0.437 144 S N -0.622 115.033 115.700 -0.075 0.000 2.660 144 S HA 0.119 4.589 4.470 -0.000 0.000 0.223 144 S C 1.566 176.141 174.600 -0.042 0.000 0.963 144 S CA 0.750 58.932 58.200 -0.031 0.000 0.932 144 S CB -0.225 62.989 63.200 0.023 0.000 0.775 144 S HN 0.691 nan 8.310 nan 0.000 0.531 145 G N 0.533 109.299 108.800 -0.057 0.000 2.299 145 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.237 145 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.237 145 G C 0.129 174.987 174.900 -0.070 0.000 1.027 145 G CA 0.172 45.246 45.100 -0.042 0.000 0.619 145 G HN 0.471 nan 8.290 nan 0.000 0.513 146 L N 0.632 121.775 121.223 -0.134 0.000 2.439 146 L HA 0.649 4.988 4.340 -0.000 0.000 0.261 146 L C 1.253 178.024 176.870 -0.165 0.000 1.153 146 L CA 0.232 54.977 54.840 -0.158 0.000 0.808 146 L CB 0.819 42.737 42.059 -0.236 0.000 1.126 146 L HN 1.267 nan 8.230 nan 0.000 0.460 147 G N -0.408 108.321 108.800 -0.119 0.000 2.298 147 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.309 147 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.309 147 G C -1.318 173.579 174.900 -0.005 0.000 1.279 147 G CA -0.683 44.372 45.100 -0.075 0.000 1.042 147 G HN 0.874 nan 8.290 nan 0.000 0.480 148 H N 2.037 121.071 119.070 -0.060 0.000 2.878 148 H HA 0.463 5.019 4.556 -0.000 0.000 0.290 148 H C -1.059 174.258 175.328 -0.019 0.000 1.065 148 H CA -0.837 55.190 56.048 -0.035 0.000 1.477 148 H CB 1.332 31.077 29.762 -0.028 0.000 1.484 148 H HN 0.154 nan 8.280 nan 0.000 0.504 149 P HA -0.251 nan 4.420 nan 0.000 0.218 149 P C 1.345 178.702 177.300 0.095 0.000 1.147 149 P CA 1.036 64.125 63.100 -0.018 0.000 0.827 149 P CB 0.170 31.808 31.700 -0.104 0.000 0.778 150 R N -0.883 119.790 120.500 0.288 0.000 2.323 150 R HA 0.123 4.463 4.340 -0.000 0.000 0.198 150 R C 1.517 177.938 176.300 0.203 0.000 0.988 150 R CA 0.551 56.806 56.100 0.259 0.000 1.041 150 R CB -0.529 29.975 30.300 0.339 0.000 0.926 150 R HN 0.311 nan 8.270 nan 0.000 0.476 151 L N -1.272 120.077 121.223 0.210 0.000 2.694 151 L HA 0.013 4.353 4.340 -0.000 0.000 0.228 151 L C 2.060 179.075 176.870 0.243 0.000 1.048 151 L CA 0.811 55.811 54.840 0.268 0.000 0.887 151 L CB -0.064 42.100 42.059 0.175 0.000 1.265 151 L HN 0.124 nan 8.230 nan 0.000 0.492 152 T N -1.366 113.270 114.554 0.135 0.000 2.778 152 T HA -0.265 4.085 4.350 -0.000 0.000 0.269 152 T C 1.446 176.178 174.700 0.054 0.000 1.050 152 T CA 1.652 63.798 62.100 0.075 0.000 1.137 152 T CB -0.495 68.390 68.868 0.029 0.000 0.860 152 T HN 0.572 nan 8.240 nan 0.000 0.468 153 E N 1.901 122.128 120.200 0.044 0.000 2.019 153 E HA -0.208 4.142 4.350 -0.000 0.000 0.208 153 E C 2.342 178.907 176.600 -0.058 0.000 1.030 153 E CA 1.967 58.365 56.400 -0.004 0.000 0.856 153 E CB -0.742 28.957 29.700 -0.002 0.000 0.781 153 E HN 0.576 nan 8.360 nan 0.000 0.471 154 V N -2.520 117.308 119.914 -0.143 0.000 3.647 154 V HA 0.180 4.300 4.120 -0.000 0.000 0.279 154 V C 0.881 176.696 176.094 -0.465 0.000 1.314 154 V CA 0.265 62.364 62.300 -0.336 0.000 1.125 154 V CB -0.470 31.048 31.823 -0.508 0.000 0.907 154 V HN 0.244 nan 8.190 nan 0.000 0.434 155 F N 0.438 120.385 119.950 -0.004 0.000 2.661 155 F HA 0.527 5.054 4.527 -0.000 0.000 0.306 155 F C 1.369 177.159 175.800 -0.016 0.000 1.094 155 F CA -0.955 57.041 58.000 -0.007 0.000 1.254 155 F CB 0.077 39.075 39.000 -0.004 0.000 1.040 155 F HN -0.000 nan 8.300 nan 0.000 0.562 156 R N -0.005 120.559 120.500 0.106 0.000 2.738 156 R HA 0.495 4.835 4.340 -0.000 0.000 0.268 156 R C 0.716 177.045 176.300 0.048 0.000 1.062 156 R CA 0.917 57.051 56.100 0.056 0.000 1.158 156 R CB 0.762 31.075 30.300 0.022 0.000 1.046 156 R HN 0.243 nan 8.270 nan 0.000 0.493 157 A N 1.383 124.224 122.820 0.035 0.000 1.781 157 A HA 0.093 4.413 4.320 -0.000 0.000 0.180 157 A C -0.678 176.922 177.584 0.026 0.000 1.996 157 A CA -0.175 51.879 52.037 0.029 0.000 1.576 157 A CB 0.302 19.325 19.000 0.037 0.000 1.609 157 A HN 0.406 nan 8.150 nan 0.000 0.304 158 V N 1.322 121.254 119.914 0.030 0.000 2.919 158 V HA 0.549 4.669 4.120 -0.000 0.000 0.316 158 V C -1.465 174.653 176.094 0.041 0.000 1.077 158 V CA -0.637 61.686 62.300 0.039 0.000 0.977 158 V CB 1.785 33.638 31.823 0.051 0.000 1.039 158 V HN 0.408 nan 8.190 nan 0.000 0.441 159 D N 4.530 124.958 120.400 0.046 0.000 2.225 159 D HA 0.361 5.001 4.640 -0.000 0.000 0.248 159 D C -1.898 174.443 176.300 0.069 0.000 1.096 159 D CA -1.690 52.339 54.000 0.048 0.000 0.863 159 D CB 2.423 43.245 40.800 0.037 0.000 1.156 159 D HN 0.262 nan 8.370 nan 0.000 0.450 160 P HA -0.178 nan 4.420 nan 0.000 0.216 160 P C 0.859 178.220 177.300 0.102 0.000 1.154 160 P CA 1.542 64.699 63.100 0.094 0.000 0.865 160 P CB 0.257 32.016 31.700 0.100 0.000 0.789 161 K N -1.007 119.451 120.400 0.096 0.000 2.574 161 K HA -0.066 4.254 4.320 -0.000 0.000 0.193 161 K C 0.508 177.198 176.600 0.150 0.000 1.035 161 K CA 0.939 57.303 56.287 0.129 0.000 0.982 161 K CB -0.457 32.072 32.500 0.048 0.000 0.795 161 K HN 0.265 nan 8.250 nan 0.000 0.491 162 D N 0.284 120.764 120.400 0.133 0.000 2.407 162 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 162 D C -0.053 176.353 176.300 0.175 0.000 1.083 162 D CA 0.066 54.143 54.000 0.128 0.000 0.844 162 D CB 0.745 41.594 40.800 0.081 0.000 0.967 162 D HN -0.170 nan 8.370 nan 0.000 0.506 163 V N 1.074 121.089 119.914 0.169 0.000 2.539 163 V HA 0.381 4.501 4.120 -0.000 0.000 0.292 163 V C 0.140 176.303 176.094 0.115 0.000 1.045 163 V CA -0.549 61.835 62.300 0.139 0.000 0.945 163 V CB 2.388 34.260 31.823 0.081 0.000 0.993 163 V HN -0.251 nan 8.190 nan 0.000 0.464 164 V N 5.926 125.921 119.914 0.135 0.000 2.524 164 V HA 0.411 4.531 4.120 -0.000 0.000 0.297 164 V C -0.486 175.713 176.094 0.174 0.000 1.035 164 V CA -0.383 61.986 62.300 0.114 0.000 0.867 164 V CB 1.723 33.633 31.823 0.145 0.000 1.004 164 V HN 0.634 nan 8.190 nan 0.000 0.426 165 L N 5.663 126.967 121.223 0.136 0.000 2.257 165 L HA 0.599 4.938 4.340 -0.000 0.000 0.290 165 L C -0.622 176.381 176.870 0.222 0.000 1.044 165 L CA -0.457 54.493 54.840 0.183 0.000 0.810 165 L CB 1.658 43.761 42.059 0.073 0.000 1.193 165 L HN 0.412 nan 8.230 nan 0.000 0.425 166 V N 3.219 123.264 119.914 0.218 0.000 2.384 166 V HA 0.647 4.766 4.120 -0.000 0.000 0.287 166 V C 0.803 176.978 176.094 0.134 0.000 1.020 166 V CA 0.328 62.725 62.300 0.162 0.000 0.850 166 V CB 0.999 32.871 31.823 0.082 0.000 0.987 166 V HN 1.019 nan 8.190 nan 0.000 0.436 167 G N 4.005 112.876 108.800 0.118 0.000 2.279 167 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.223 167 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.223 167 G C 0.416 175.358 174.900 0.070 0.000 1.015 167 G CA -0.059 45.090 45.100 0.081 0.000 0.621 167 G HN 0.969 nan 8.290 nan 0.000 0.506 168 V N 3.123 123.091 119.914 0.091 0.000 2.886 168 V HA 0.097 4.217 4.120 -0.000 0.000 0.294 168 V C 1.639 177.747 176.094 0.023 0.000 1.219 168 V CA 2.430 64.764 62.300 0.058 0.000 1.334 168 V CB 0.328 32.188 31.823 0.061 0.000 0.828 168 V HN 0.850 nan 8.190 nan 0.000 0.480 169 R N 3.366 123.851 120.500 -0.024 0.000 2.549 169 R HA 0.337 4.677 4.340 -0.000 0.000 0.361 169 R C 0.156 176.428 176.300 -0.046 0.000 0.969 169 R CA 0.380 56.465 56.100 -0.026 0.000 1.158 169 R CB 0.668 30.948 30.300 -0.035 0.000 1.456 169 R HN 0.559 nan 8.270 nan 0.000 0.540 170 S N 1.338 117.003 115.700 -0.059 0.000 2.423 170 S HA 0.412 4.881 4.470 -0.000 0.000 0.213 170 S C -1.083 173.565 174.600 0.081 0.000 1.131 170 S CA -0.683 57.511 58.200 -0.010 0.000 1.155 170 S CB 0.303 63.459 63.200 -0.075 0.000 1.202 170 S HN 0.263 nan 8.310 nan 0.000 0.441 171 L N 2.535 123.797 121.223 0.065 0.000 2.330 171 L HA 0.684 5.024 4.340 -0.000 0.000 0.271 171 L C -0.184 176.727 176.870 0.069 0.000 1.013 171 L CA -1.062 53.822 54.840 0.072 0.000 0.816 171 L CB 1.445 43.520 42.059 0.026 0.000 1.287 171 L HN 0.424 nan 8.230 nan 0.000 0.435 172 D N 1.546 121.990 120.400 0.072 0.000 2.388 172 D HA 0.245 4.884 4.640 -0.000 0.000 0.254 172 D C -1.481 174.843 176.300 0.039 0.000 1.111 172 D CA -1.494 52.540 54.000 0.058 0.000 0.993 172 D CB 1.095 41.931 40.800 0.061 0.000 1.118 172 D HN 0.231 nan 8.370 nan 0.000 0.502 173 P HA -0.138 nan 4.420 nan 0.000 0.214 173 P C 1.218 178.531 177.300 0.022 0.000 1.163 173 P CA 1.535 64.647 63.100 0.021 0.000 0.889 173 P CB 0.162 31.872 31.700 0.017 0.000 0.790 174 G N -0.158 108.660 108.800 0.030 0.000 2.394 174 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 174 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 174 G C 1.592 176.529 174.900 0.062 0.000 1.165 174 G CA 0.437 45.559 45.100 0.036 0.000 0.784 174 G HN 0.266 nan 8.290 nan 0.000 0.535 175 E N 0.589 120.837 120.200 0.080 0.000 2.048 175 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 175 E C 2.506 179.146 176.600 0.067 0.000 1.021 175 E CA 1.372 57.855 56.400 0.138 0.000 0.825 175 E CB -0.147 29.626 29.700 0.122 0.000 0.756 175 E HN 0.359 nan 8.360 nan 0.000 0.454 176 K N 0.344 120.752 120.400 0.013 0.000 2.059 176 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 176 K C 2.221 178.800 176.600 -0.036 0.000 1.050 176 K CA 1.535 57.801 56.287 -0.036 0.000 0.927 176 K CB -0.184 32.302 32.500 -0.023 0.000 0.714 176 K HN 0.101 nan 8.250 nan 0.000 0.447 177 R N 0.644 121.145 120.500 0.002 0.000 2.073 177 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 177 R C 2.486 178.803 176.300 0.029 0.000 1.134 177 R CA 1.138 57.242 56.100 0.008 0.000 0.952 177 R CB -0.577 29.734 30.300 0.018 0.000 0.850 177 R HN 0.201 nan 8.270 nan 0.000 0.433 178 L N 0.946 122.224 121.223 0.092 0.000 2.083 178 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 178 L C 2.461 179.432 176.870 0.168 0.000 1.083 178 L CA 1.082 56.053 54.840 0.219 0.000 0.752 178 L CB -0.295 42.002 42.059 0.396 0.000 0.899 178 L HN 0.222 nan 8.230 nan 0.000 0.433 179 L N -0.557 120.583 121.223 -0.139 0.000 1.948 179 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 179 L C 2.617 179.340 176.870 -0.246 0.000 1.074 179 L CA 1.508 56.045 54.840 -0.505 0.000 0.753 179 L CB -0.564 41.188 42.059 -0.511 0.000 0.888 179 L HN 0.173 nan 8.230 nan 0.000 0.432 180 K N 0.084 120.389 120.400 -0.160 0.000 2.049 180 K HA -0.296 4.024 4.320 -0.000 0.000 0.219 180 K C 1.978 178.541 176.600 -0.062 0.000 1.056 180 K CA 2.257 58.481 56.287 -0.104 0.000 0.946 180 K CB -0.212 32.244 32.500 -0.074 0.000 0.723 180 K HN 0.304 nan 8.250 nan 0.000 0.453 181 E N -0.584 119.599 120.200 -0.028 0.000 2.160 181 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 181 E C 1.731 178.343 176.600 0.020 0.000 0.991 181 E CA 1.061 57.463 56.400 0.003 0.000 0.810 181 E CB -0.041 29.674 29.700 0.025 0.000 0.742 181 E HN 0.395 nan 8.360 nan 0.000 0.466 182 A N -0.482 122.359 122.820 0.035 0.000 2.169 182 A HA 0.195 4.515 4.320 -0.000 0.000 0.212 182 A C 1.860 179.459 177.584 0.026 0.000 1.153 182 A CA 1.138 53.218 52.037 0.073 0.000 0.756 182 A CB -0.104 19.027 19.000 0.218 0.000 0.813 182 A HN 0.384 nan 8.150 nan 0.000 0.471 183 G N -1.637 107.151 108.800 -0.020 0.000 2.284 183 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.230 183 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.230 183 G C 0.358 175.236 174.900 -0.037 0.000 1.021 183 G CA -0.077 45.014 45.100 -0.014 0.000 0.619 183 G HN 0.953 nan 8.290 nan 0.000 0.510 184 V N 2.295 122.161 119.914 -0.080 0.000 2.707 184 V HA 0.061 4.181 4.120 -0.000 0.000 0.291 184 V C 1.329 177.310 176.094 -0.189 0.000 1.002 184 V CA 1.156 63.377 62.300 -0.132 0.000 1.200 184 V CB -0.056 31.606 31.823 -0.268 0.000 0.854 184 V HN 0.671 nan 8.190 nan 0.000 0.462 185 R N 5.269 125.639 120.500 -0.217 0.000 2.402 185 R HA 0.282 4.622 4.340 -0.000 0.000 0.331 185 R C -0.824 175.280 176.300 -0.326 0.000 1.040 185 R CA 0.235 56.126 56.100 -0.349 0.000 0.980 185 R CB 0.331 30.265 30.300 -0.610 0.000 0.967 185 R HN 0.515 nan 8.270 nan 0.000 0.440 186 V N 7.041 126.748 119.914 -0.346 0.000 2.384 186 V HA 0.278 4.398 4.120 -0.000 0.000 0.287 186 V C -0.904 175.000 176.094 -0.317 0.000 1.020 186 V CA -0.615 61.537 62.300 -0.247 0.000 0.850 186 V CB 1.158 32.864 31.823 -0.195 0.000 0.987 186 V HN 0.645 nan 8.190 nan 0.000 0.436 187 Y N 3.596 123.867 120.300 -0.048 0.000 2.434 187 Y HA 0.417 4.966 4.550 -0.000 0.000 0.341 187 Y C 1.094 176.993 175.900 -0.000 0.000 0.965 187 Y CA -0.402 57.684 58.100 -0.022 0.000 1.205 187 Y CB 1.427 39.881 38.460 -0.011 0.000 1.121 187 Y HN 0.747 nan 8.280 nan 0.000 0.507 188 T N -0.489 114.126 114.554 0.101 0.000 2.810 188 T HA 0.116 4.466 4.350 -0.000 0.000 0.277 188 T C 1.419 176.189 174.700 0.118 0.000 0.973 188 T CA -0.787 61.362 62.100 0.083 0.000 0.949 188 T CB 0.773 69.669 68.868 0.046 0.000 1.075 188 T HN 0.508 nan 8.240 nan 0.000 0.537 189 M N 0.499 120.153 119.600 0.091 0.000 2.108 189 M HA -0.074 4.405 4.480 -0.000 0.000 0.261 189 M C 2.157 178.525 176.300 0.113 0.000 1.066 189 M CA 1.547 56.895 55.300 0.080 0.000 1.107 189 M CB -1.988 30.639 32.600 0.046 0.000 1.356 189 M HN 0.885 nan 8.290 nan 0.000 0.406 190 H N 0.384 119.468 119.070 0.024 0.000 2.319 190 H HA -0.181 4.374 4.556 -0.000 0.000 0.297 190 H C 1.697 177.048 175.328 0.038 0.000 1.097 190 H CA 2.241 58.302 56.048 0.022 0.000 1.285 190 H CB 0.015 29.785 29.762 0.012 0.000 1.368 190 H HN 0.245 nan 8.280 nan 0.000 0.495 191 E N 0.299 120.695 120.200 0.327 0.000 2.035 191 E HA -0.145 4.205 4.350 -0.000 0.000 0.204 191 E C 2.645 179.360 176.600 0.191 0.000 1.025 191 E CA 1.803 58.364 56.400 0.269 0.000 0.835 191 E CB -0.732 29.141 29.700 0.288 0.000 0.764 191 E HN 0.369 nan 8.360 nan 0.000 0.457 192 V N 1.390 121.387 119.914 0.138 0.000 2.527 192 V HA -0.272 3.848 4.120 -0.000 0.000 0.255 192 V C 1.701 177.820 176.094 0.042 0.000 1.081 192 V CA 2.102 64.443 62.300 0.068 0.000 1.092 192 V CB -0.529 31.322 31.823 0.047 0.000 0.673 192 V HN 0.187 nan 8.190 nan 0.000 0.470 193 D N -0.627 119.794 120.400 0.035 0.000 2.201 193 D HA -0.020 4.620 4.640 -0.000 0.000 0.209 193 D C 2.394 178.690 176.300 -0.007 0.000 0.961 193 D CA 0.658 54.647 54.000 -0.019 0.000 0.861 193 D CB 0.093 40.833 40.800 -0.100 0.000 0.997 193 D HN 0.358 nan 8.370 nan 0.000 0.486 194 R N 0.192 120.721 120.500 0.048 0.000 2.078 194 R HA -0.028 4.312 4.340 -0.000 0.000 0.224 194 R C 2.510 178.855 176.300 0.075 0.000 1.149 194 R CA 0.954 57.110 56.100 0.094 0.000 0.916 194 R CB -0.330 30.112 30.300 0.236 0.000 0.821 194 R HN 0.107 nan 8.270 nan 0.000 0.434 195 L N -1.119 120.159 121.223 0.091 0.000 2.127 195 L HA 0.183 4.523 4.340 -0.000 0.000 0.203 195 L C 0.896 177.786 176.870 0.033 0.000 1.080 195 L CA 0.598 55.477 54.840 0.065 0.000 0.768 195 L CB -0.129 41.981 42.059 0.086 0.000 0.924 195 L HN 0.556 nan 8.230 nan 0.000 0.444 196 G N -1.308 107.508 108.800 0.027 0.000 2.906 196 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 196 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 196 G C 0.169 175.056 174.900 -0.023 0.000 1.170 196 G CA -0.521 44.581 45.100 0.004 0.000 0.775 196 G HN -0.224 nan 8.290 nan 0.000 0.630 197 V N 1.429 121.326 119.914 -0.028 0.000 2.357 197 V HA -0.280 3.840 4.120 -0.000 0.000 0.257 197 V C 3.283 179.339 176.094 -0.064 0.000 1.082 197 V CA 3.785 66.054 62.300 -0.051 0.000 1.078 197 V CB -1.213 30.588 31.823 -0.037 0.000 0.663 197 V HN 1.754 nan 8.190 nan 0.000 0.455 198 A N -0.171 122.623 122.820 -0.043 0.000 1.854 198 A HA -0.206 4.114 4.320 -0.000 0.000 0.214 198 A C 2.307 179.862 177.584 -0.049 0.000 1.192 198 A CA 1.697 53.710 52.037 -0.039 0.000 0.611 198 A CB -0.526 18.462 19.000 -0.020 0.000 0.832 198 A HN 0.479 nan 8.150 nan 0.000 0.442 199 R N -1.049 119.427 120.500 -0.040 0.000 2.377 199 R HA 0.015 4.355 4.340 -0.000 0.000 0.207 199 R C 1.138 177.385 176.300 -0.089 0.000 1.075 199 R CA 0.730 56.809 56.100 -0.035 0.000 1.035 199 R CB -0.320 29.977 30.300 -0.006 0.000 0.857 199 R HN 0.467 nan 8.270 nan 0.000 0.475 200 I N -0.774 119.700 120.570 -0.161 0.000 2.867 200 I HA 0.095 4.265 4.170 -0.000 0.000 0.265 200 I C 1.859 177.782 176.117 -0.322 0.000 1.162 200 I CA 0.799 61.878 61.300 -0.368 0.000 1.471 200 I CB 0.270 38.026 38.000 -0.407 0.000 1.123 200 I HN 0.196 nan 8.210 nan 0.000 0.440 201 A N -0.337 122.383 122.820 -0.167 0.000 1.903 201 A HA -0.030 4.289 4.320 -0.000 0.000 0.213 201 A C 2.102 179.655 177.584 -0.051 0.000 1.185 201 A CA 0.745 52.723 52.037 -0.099 0.000 0.628 201 A CB -0.349 18.615 19.000 -0.060 0.000 0.830 201 A HN 0.259 nan 8.150 nan 0.000 0.446 202 E N 0.721 120.896 120.200 -0.042 0.000 2.130 202 E HA -0.214 4.135 4.350 -0.000 0.000 0.196 202 E C 1.740 178.344 176.600 0.007 0.000 0.998 202 E CA 1.513 57.907 56.400 -0.010 0.000 0.806 202 E CB -0.312 29.384 29.700 -0.007 0.000 0.738 202 E HN 0.759 nan 8.360 nan 0.000 0.459 203 E N 0.161 120.356 120.200 -0.008 0.000 2.158 203 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 203 E C 2.206 178.857 176.600 0.086 0.000 0.982 203 E CA 0.450 56.878 56.400 0.046 0.000 0.823 203 E CB 0.173 29.910 29.700 0.063 0.000 0.766 203 E HN 0.040 nan 8.360 nan 0.000 0.468 204 V N 1.622 121.548 119.914 0.019 0.000 2.591 204 V HA -0.168 3.951 4.120 -0.000 0.000 0.249 204 V C 2.185 178.346 176.094 0.111 0.000 1.053 204 V CA 1.103 63.449 62.300 0.078 0.000 1.068 204 V CB -0.233 31.588 31.823 -0.003 0.000 0.689 204 V HN 0.257 nan 8.190 nan 0.000 0.462 205 L N -0.272 120.991 121.223 0.067 0.000 2.201 205 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 205 L C 2.502 179.417 176.870 0.076 0.000 1.105 205 L CA 1.184 56.064 54.840 0.067 0.000 0.775 205 L CB -0.522 41.563 42.059 0.043 0.000 0.913 205 L HN 0.291 nan 8.230 nan 0.000 0.440 206 K N 0.483 120.934 120.400 0.085 0.000 1.967 206 K HA -0.248 4.072 4.320 -0.000 0.000 0.212 206 K C 2.146 178.809 176.600 0.105 0.000 1.044 206 K CA 1.731 58.068 56.287 0.083 0.000 0.942 206 K CB -0.598 31.954 32.500 0.086 0.000 0.726 206 K HN 0.180 nan 8.250 nan 0.000 0.440 207 H N -0.609 118.500 119.070 0.064 0.000 2.520 207 H HA -0.066 4.490 4.556 -0.000 0.000 0.295 207 H C 0.634 175.999 175.328 0.061 0.000 1.096 207 H CA 2.053 58.144 56.048 0.070 0.000 1.249 207 H CB 0.071 29.896 29.762 0.104 0.000 1.365 207 H HN 0.232 nan 8.280 nan 0.000 0.556 208 L N 0.852 122.137 121.223 0.102 0.000 3.298 208 L HA 0.111 4.451 4.340 -0.000 0.000 0.296 208 L C 0.086 176.980 176.870 0.041 0.000 1.237 208 L CA -0.332 54.543 54.840 0.058 0.000 1.038 208 L CB 0.118 42.256 42.059 0.132 0.000 1.423 208 L HN 0.270 nan 8.230 nan 0.000 0.605 209 Q N 1.034 120.855 119.800 0.034 0.000 2.658 209 Q HA 0.017 4.356 4.340 -0.000 0.000 0.367 209 Q C 1.109 177.123 176.000 0.024 0.000 1.107 209 Q CA 1.176 56.997 55.803 0.030 0.000 1.128 209 Q CB 0.157 28.909 28.738 0.022 0.000 1.099 209 Q HN 0.364 nan 8.270 nan 0.000 0.418 210 G N 2.598 111.416 108.800 0.030 0.000 2.417 210 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.233 210 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.233 210 G C 0.195 175.115 174.900 0.033 0.000 1.103 210 G CA 0.104 45.220 45.100 0.027 0.000 0.647 210 G HN 0.675 nan 8.290 nan 0.000 0.512 211 L N 3.202 124.448 121.223 0.037 0.000 2.455 211 L HA 0.382 4.722 4.340 -0.000 0.000 0.272 211 L C -1.482 175.422 176.870 0.057 0.000 1.174 211 L CA -1.680 53.187 54.840 0.045 0.000 0.869 211 L CB 0.020 42.108 42.059 0.049 0.000 1.130 211 L HN 0.126 nan 8.230 nan 0.000 0.474 212 P HA 0.201 nan 4.420 nan 0.000 0.271 212 P C -0.977 176.372 177.300 0.082 0.000 1.218 212 P CA -0.140 62.999 63.100 0.064 0.000 0.780 212 P CB 1.025 32.756 31.700 0.052 0.000 0.901 213 L N 2.680 123.959 121.223 0.093 0.000 2.329 213 L HA 0.461 4.801 4.340 -0.000 0.000 0.279 213 L C 0.691 177.640 176.870 0.131 0.000 1.014 213 L CA -0.792 54.120 54.840 0.119 0.000 0.814 213 L CB 1.258 43.385 42.059 0.113 0.000 1.257 213 L HN 0.506 nan 8.230 nan 0.000 0.424 214 H N 2.991 122.094 119.070 0.056 0.000 2.511 214 H HA 0.519 5.075 4.556 -0.000 0.000 0.328 214 H C -1.634 173.735 175.328 0.070 0.000 1.044 214 H CA -0.503 55.566 56.048 0.035 0.000 1.212 214 H CB 1.892 31.676 29.762 0.037 0.000 1.428 214 H HN 0.326 nan 8.280 nan 0.000 0.483 215 V N 4.430 124.251 119.914 -0.156 0.000 2.398 215 V HA 0.210 4.330 4.120 -0.000 0.000 0.286 215 V C 0.402 176.408 176.094 -0.148 0.000 1.026 215 V CA -0.600 61.676 62.300 -0.041 0.000 0.868 215 V CB 1.459 33.267 31.823 -0.026 0.000 0.982 215 V HN 0.781 nan 8.190 nan 0.000 0.443 216 S N 4.396 120.062 115.700 -0.057 0.000 2.451 216 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 216 S C -0.981 173.450 174.600 -0.282 0.000 1.116 216 S CA -0.484 57.591 58.200 -0.208 0.000 1.093 216 S CB 1.002 63.932 63.200 -0.449 0.000 1.017 216 S HN 0.508 nan 8.310 nan 0.000 0.482 217 L N 4.939 126.006 121.223 -0.260 0.000 2.353 217 L HA 0.484 4.824 4.340 -0.000 0.000 0.270 217 L C -0.742 175.949 176.870 -0.299 0.000 1.003 217 L CA -0.363 54.337 54.840 -0.234 0.000 0.862 217 L CB 1.378 43.343 42.059 -0.157 0.000 1.221 217 L HN 0.624 nan 8.230 nan 0.000 0.430 218 D N 3.070 123.267 120.400 -0.338 0.000 2.316 218 D HA 0.262 4.902 4.640 -0.000 0.000 0.245 218 D C 1.060 177.257 176.300 -0.171 0.000 1.171 218 D CA 0.354 54.131 54.000 -0.372 0.000 0.856 218 D CB 2.060 42.681 40.800 -0.298 0.000 1.090 218 D HN 0.653 nan 8.370 nan 0.000 0.476 219 A N 4.130 126.860 122.820 -0.151 0.000 1.986 219 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 219 A C 1.541 179.099 177.584 -0.042 0.000 1.171 219 A CA 1.952 53.938 52.037 -0.084 0.000 0.640 219 A CB -0.467 18.490 19.000 -0.071 0.000 0.811 219 A HN 0.725 nan 8.150 nan 0.000 0.451 220 D N -0.655 119.732 120.400 -0.021 0.000 2.411 220 D HA -0.052 4.588 4.640 -0.000 0.000 0.226 220 D C 0.953 177.269 176.300 0.027 0.000 0.988 220 D CA 0.904 54.925 54.000 0.035 0.000 0.938 220 D CB -0.477 40.399 40.800 0.126 0.000 0.883 220 D HN 0.189 nan 8.370 nan 0.000 0.525 221 V N -0.355 119.562 119.914 0.005 0.000 3.649 221 V HA 0.228 4.348 4.120 -0.000 0.000 0.275 221 V C 0.336 176.428 176.094 -0.004 0.000 1.281 221 V CA -0.009 62.294 62.300 0.004 0.000 1.143 221 V CB -0.383 31.445 31.823 0.008 0.000 0.892 221 V HN 0.181 nan 8.190 nan 0.000 0.441 222 L N 0.249 121.469 121.223 -0.004 0.000 2.334 222 L HA 0.512 4.851 4.340 -0.000 0.000 0.272 222 L C -0.095 176.779 176.870 0.007 0.000 1.020 222 L CA -0.806 54.035 54.840 0.002 0.000 0.812 222 L CB 1.072 43.134 42.059 0.005 0.000 1.264 222 L HN -0.033 nan 8.230 nan 0.000 0.439 223 D N 2.151 122.559 120.400 0.013 0.000 2.487 223 D HA 0.030 4.670 4.640 -0.000 0.000 0.243 223 D C -1.710 174.596 176.300 0.010 0.000 1.154 223 D CA -1.144 52.863 54.000 0.011 0.000 0.876 223 D CB 1.255 42.064 40.800 0.015 0.000 1.161 223 D HN 0.185 nan 8.370 nan 0.000 0.478 224 P HA -0.146 nan 4.420 nan 0.000 0.221 224 P C 1.313 178.615 177.300 0.003 0.000 1.145 224 P CA 0.985 64.089 63.100 0.007 0.000 0.795 224 P CB 0.142 31.849 31.700 0.011 0.000 0.775 225 T N -1.291 113.265 114.554 0.003 0.000 2.720 225 T HA -0.164 4.185 4.350 -0.000 0.000 0.268 225 T C 1.524 176.220 174.700 -0.008 0.000 1.037 225 T CA 1.151 63.249 62.100 -0.002 0.000 1.144 225 T CB -0.578 68.289 68.868 -0.001 0.000 0.864 225 T HN -0.067 nan 8.240 nan 0.000 0.444 226 L N 0.003 121.225 121.223 -0.002 0.000 2.416 226 L HA 0.550 4.890 4.340 -0.000 0.000 0.216 226 L C 1.033 177.900 176.870 -0.004 0.000 1.098 226 L CA 0.812 55.648 54.840 -0.006 0.000 0.840 226 L CB 0.018 42.088 42.059 0.019 0.000 0.981 226 L HN 0.279 nan 8.230 nan 0.000 0.462 227 A N -0.708 122.112 122.820 0.001 0.000 3.216 227 A HA 0.483 4.803 4.320 -0.000 0.000 0.321 227 A C -1.905 175.678 177.584 -0.002 0.000 1.042 227 A CA -0.704 51.333 52.037 -0.001 0.000 0.838 227 A CB -0.105 18.896 19.000 0.003 0.000 1.136 227 A HN 0.083 nan 8.150 nan 0.000 0.483 228 P HA -0.128 nan 4.420 nan 0.000 0.216 228 P C 1.077 178.375 177.300 -0.003 0.000 1.150 228 P CA 1.623 64.722 63.100 -0.003 0.000 0.837 228 P CB 0.079 31.775 31.700 -0.007 0.000 0.786 229 G N 1.132 109.928 108.800 -0.008 0.000 2.985 229 G HA2 0.417 4.376 3.960 -0.000 0.000 0.282 229 G HA3 0.417 4.376 3.960 -0.000 0.000 0.282 229 G C -0.107 174.785 174.900 -0.014 0.000 0.791 229 G CA -0.105 44.988 45.100 -0.010 0.000 1.934 229 G HN 0.292 nan 8.290 nan 0.000 0.563 230 V N -0.864 119.046 119.914 -0.007 0.000 3.012 230 V HA 0.820 4.940 4.120 -0.000 0.000 0.307 230 V C 1.201 177.296 176.094 0.000 0.000 1.166 230 V CA -0.106 62.188 62.300 -0.010 0.000 0.974 230 V CB 1.186 33.009 31.823 -0.000 0.000 1.040 230 V HN 0.506 nan 8.190 nan 0.000 0.428 231 G N 2.642 111.430 108.800 -0.019 0.000 2.681 231 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.220 231 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.220 231 G C 0.609 175.529 174.900 0.033 0.000 1.210 231 G CA 1.705 46.798 45.100 -0.013 0.000 0.783 231 G HN 1.390 nan 8.290 nan 0.000 0.609 232 T N 2.052 116.646 114.554 0.067 0.000 3.068 232 T HA 0.503 4.853 4.350 -0.000 0.000 0.364 232 T C -2.739 172.046 174.700 0.141 0.000 1.161 232 T CA -1.054 61.113 62.100 0.111 0.000 1.155 232 T CB 2.782 71.740 68.868 0.148 0.000 1.060 232 T HN 0.159 nan 8.240 nan 0.000 0.513 233 P HA 0.398 nan 4.420 nan 0.000 0.272 233 P C -0.876 176.467 177.300 0.072 0.000 1.230 233 P CA -0.389 62.752 63.100 0.068 0.000 0.788 233 P CB 0.980 32.703 31.700 0.039 0.000 0.949 234 V N 2.102 122.040 119.914 0.039 0.000 2.612 234 V HA 0.309 4.429 4.120 -0.000 0.000 0.301 234 V C -2.031 174.064 176.094 0.001 0.000 1.059 234 V CA -1.848 60.461 62.300 0.016 0.000 0.886 234 V CB 1.783 33.583 31.823 -0.040 0.000 1.007 234 V HN 0.586 nan 8.190 nan 0.000 0.426 235 P HA 0.230 nan 4.420 nan 0.000 0.274 235 P C 0.814 178.113 177.300 -0.001 0.000 1.260 235 P CA 0.985 64.088 63.100 0.004 0.000 0.793 235 P CB 0.767 32.471 31.700 0.008 0.000 1.048 236 G N -1.198 107.603 108.800 0.001 0.000 2.160 236 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.251 236 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.251 236 G C 0.656 175.556 174.900 0.001 0.000 1.008 236 G CA 0.228 45.328 45.100 0.000 0.000 0.724 236 G HN 0.873 nan 8.290 nan 0.000 0.514 237 G N -0.855 107.945 108.800 0.001 0.000 2.522 237 G HA2 0.476 4.435 3.960 -0.000 0.000 0.223 237 G HA3 0.476 4.435 3.960 -0.000 0.000 0.223 237 G C 0.382 175.286 174.900 0.007 0.000 1.565 237 G CA -0.447 44.654 45.100 0.002 0.000 1.053 237 G HN 0.711 nan 8.290 nan 0.000 0.547 238 L N 1.267 122.494 121.223 0.007 0.000 2.272 238 L HA 0.294 4.634 4.340 -0.000 0.000 0.289 238 L C 1.048 177.932 176.870 0.022 0.000 1.032 238 L CA -0.720 54.125 54.840 0.008 0.000 0.810 238 L CB 1.380 43.436 42.059 -0.004 0.000 1.205 238 L HN 0.700 nan 8.230 nan 0.000 0.422 239 T N -0.935 113.637 114.554 0.031 0.000 2.855 239 T HA -0.093 4.257 4.350 -0.000 0.000 0.314 239 T C 1.050 175.810 174.700 0.101 0.000 1.077 239 T CA -0.043 62.097 62.100 0.066 0.000 1.095 239 T CB 0.675 69.579 68.868 0.060 0.000 0.987 239 T HN 0.503 nan 8.240 nan 0.000 0.546 240 Y N 2.260 122.565 120.300 0.008 0.000 2.081 240 Y HA -0.181 4.369 4.550 -0.000 0.000 0.280 240 Y C 2.776 178.712 175.900 0.060 0.000 1.163 240 Y CA 1.794 59.911 58.100 0.028 0.000 1.135 240 Y CB -0.375 38.119 38.460 0.056 0.000 0.970 240 Y HN 0.688 nan 8.280 nan 0.000 0.498 241 R N 0.204 120.734 120.500 0.050 0.000 2.127 241 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 241 R C 2.238 178.504 176.300 -0.057 0.000 1.134 241 R CA 1.827 57.897 56.100 -0.049 0.000 0.975 241 R CB -0.211 30.108 30.300 0.033 0.000 0.865 241 R HN 0.553 nan 8.270 nan 0.000 0.447 242 E N -0.296 119.883 120.200 -0.035 0.000 2.106 242 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 242 E C 1.936 178.489 176.600 -0.079 0.000 0.984 242 E CA 1.026 57.401 56.400 -0.042 0.000 0.806 242 E CB -0.024 29.663 29.700 -0.022 0.000 0.750 242 E HN 0.372 nan 8.360 nan 0.000 0.458 243 A N 1.239 123.981 122.820 -0.129 0.000 1.897 243 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 243 A C 1.828 179.257 177.584 -0.258 0.000 1.181 243 A CA 1.124 53.042 52.037 -0.198 0.000 0.620 243 A CB -0.541 18.306 19.000 -0.254 0.000 0.821 243 A HN 0.232 nan 8.150 nan 0.000 0.443 244 H N -1.272 117.670 119.070 -0.212 0.000 2.521 244 H HA -0.020 4.536 4.556 -0.000 0.000 0.286 244 H C 1.904 177.149 175.328 -0.139 0.000 1.034 244 H CA 1.399 57.319 56.048 -0.214 0.000 1.278 244 H CB 0.014 29.568 29.762 -0.345 0.000 1.386 244 H HN 0.402 nan 8.280 nan 0.000 0.567 245 L N 0.147 121.353 121.223 -0.028 0.000 2.049 245 L HA -0.073 4.267 4.340 -0.000 0.000 0.203 245 L C 2.261 179.112 176.870 -0.033 0.000 1.074 245 L CA 0.966 55.792 54.840 -0.024 0.000 0.749 245 L CB -0.851 41.191 42.059 -0.029 0.000 0.907 245 L HN 0.067 nan 8.230 nan 0.000 0.439 246 L N -0.453 120.738 121.223 -0.052 0.000 1.934 246 L HA -0.282 4.058 4.340 -0.000 0.000 0.227 246 L C 2.499 179.345 176.870 -0.040 0.000 1.084 246 L CA 2.337 57.147 54.840 -0.051 0.000 0.790 246 L CB -0.866 41.155 42.059 -0.063 0.000 0.896 246 L HN 0.280 nan 8.230 nan 0.000 0.437 247 M N -0.650 118.917 119.600 -0.054 0.000 2.103 247 M HA -0.293 4.186 4.480 -0.000 0.000 0.255 247 M C 2.110 178.403 176.300 -0.013 0.000 1.074 247 M CA 1.778 57.055 55.300 -0.037 0.000 1.090 247 M CB -1.715 30.849 32.600 -0.060 0.000 1.325 247 M HN 0.424 nan 8.290 nan 0.000 0.403 248 E N -0.352 119.846 120.200 -0.003 0.000 2.331 248 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 248 E C 1.791 178.392 176.600 0.001 0.000 1.008 248 E CA 0.750 57.153 56.400 0.004 0.000 0.843 248 E CB -0.109 29.596 29.700 0.008 0.000 0.761 248 E HN 0.388 nan 8.360 nan 0.000 0.507 249 I N -0.091 120.476 120.570 -0.004 0.000 2.512 249 I HA -0.142 4.028 4.170 -0.000 0.000 0.247 249 I C 1.960 178.082 176.117 0.008 0.000 1.094 249 I CA 0.615 61.914 61.300 -0.001 0.000 1.427 249 I CB -0.101 37.893 38.000 -0.010 0.000 1.149 249 I HN 0.046 nan 8.210 nan 0.000 0.438 250 L N 0.317 121.546 121.223 0.009 0.000 2.187 250 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 250 L C 2.605 179.496 176.870 0.036 0.000 1.100 250 L CA 1.343 56.199 54.840 0.026 0.000 0.765 250 L CB -1.003 41.073 42.059 0.028 0.000 0.904 250 L HN 0.255 nan 8.230 nan 0.000 0.437 251 A N 0.061 122.895 122.820 0.023 0.000 1.873 251 A HA -0.221 4.098 4.320 -0.000 0.000 0.215 251 A C 2.173 179.775 177.584 0.029 0.000 1.186 251 A CA 1.499 53.551 52.037 0.024 0.000 0.616 251 A CB -0.466 18.537 19.000 0.004 0.000 0.823 251 A HN 0.397 nan 8.150 nan 0.000 0.442 252 E N 0.227 120.439 120.200 0.021 0.000 2.171 252 E HA -0.176 4.173 4.350 -0.000 0.000 0.197 252 E C 1.946 178.561 176.600 0.025 0.000 0.997 252 E CA 1.449 57.861 56.400 0.019 0.000 0.810 252 E CB -0.120 29.587 29.700 0.011 0.000 0.738 252 E HN 0.795 nan 8.360 nan 0.000 0.467 253 S N -1.038 114.682 115.700 0.033 0.000 2.593 253 S HA 0.130 4.599 4.470 -0.000 0.000 0.217 253 S C 1.560 176.189 174.600 0.048 0.000 0.966 253 S CA 0.247 58.470 58.200 0.037 0.000 0.914 253 S CB 0.418 63.642 63.200 0.040 0.000 0.776 253 S HN 0.334 nan 8.310 nan 0.000 0.523 254 G N 2.345 111.178 108.800 0.056 0.000 2.380 254 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.298 254 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.298 254 G C 0.712 175.662 174.900 0.084 0.000 0.989 254 G CA 0.755 45.898 45.100 0.072 0.000 0.836 254 G HN 0.616 nan 8.290 nan 0.000 0.511 255 R N -0.918 119.633 120.500 0.084 0.000 2.432 255 R HA 0.193 4.533 4.340 -0.000 0.000 0.260 255 R C 0.548 176.910 176.300 0.104 0.000 0.935 255 R CA 0.025 56.175 56.100 0.083 0.000 1.080 255 R CB 0.869 31.210 30.300 0.068 0.000 1.155 255 R HN 0.323 nan 8.270 nan 0.000 0.531 256 V N 3.043 123.041 119.914 0.141 0.000 2.352 256 V HA -0.021 4.099 4.120 -0.000 0.000 0.253 256 V C 1.526 177.745 176.094 0.209 0.000 1.083 256 V CA -0.022 62.388 62.300 0.182 0.000 0.993 256 V CB 0.557 32.526 31.823 0.244 0.000 1.111 256 V HN 0.351 nan 8.190 nan 0.000 0.490 257 Q N 4.049 123.876 119.800 0.044 0.000 2.163 257 Q HA 0.064 4.403 4.340 -0.000 0.000 0.198 257 Q C 0.784 176.441 176.000 -0.571 0.000 0.954 257 Q CA 1.025 56.752 55.803 -0.125 0.000 0.851 257 Q CB 0.322 29.033 28.738 -0.045 0.000 0.928 257 Q HN 0.723 nan 8.270 nan 0.000 0.459 258 S N -0.574 114.867 115.700 -0.433 0.000 2.697 258 S HA 0.767 5.237 4.470 -0.000 0.000 0.289 258 S C -1.151 173.114 174.600 -0.558 0.000 1.149 258 S CA -0.963 56.865 58.200 -0.620 0.000 0.850 258 S CB 2.070 65.160 63.200 -0.183 0.000 1.151 258 S HN 0.293 nan 8.310 nan 0.000 0.491 259 L N 0.298 121.245 121.223 -0.461 0.000 2.540 259 L HA 0.729 5.069 4.340 -0.000 0.000 0.256 259 L C -2.244 174.508 176.870 -0.197 0.000 1.001 259 L CA -0.197 54.467 54.840 -0.294 0.000 0.843 259 L CB 2.241 44.334 42.059 0.056 0.000 1.436 259 L HN 0.910 nan 8.230 nan 0.000 0.410 260 D N 3.603 123.909 120.400 -0.157 0.000 2.756 260 D HA 0.481 5.121 4.640 -0.000 0.000 0.226 260 D C -1.228 175.012 176.300 -0.101 0.000 1.186 260 D CA -0.121 53.831 54.000 -0.080 0.000 0.845 260 D CB 2.515 43.291 40.800 -0.040 0.000 1.610 260 D HN 0.415 nan 8.370 nan 0.000 0.465 261 L N 1.363 122.536 121.223 -0.084 0.000 2.353 261 L HA 0.411 4.751 4.340 -0.000 0.000 0.270 261 L C -0.065 176.733 176.870 -0.119 0.000 1.003 261 L CA -0.938 53.842 54.840 -0.100 0.000 0.862 261 L CB 1.397 43.417 42.059 -0.065 0.000 1.221 261 L HN 0.228 nan 8.230 nan 0.000 0.430 262 V N -0.907 118.890 119.914 -0.195 0.000 2.881 262 V HA 0.598 4.718 4.120 -0.000 0.000 0.316 262 V C 0.424 176.367 176.094 -0.252 0.000 1.070 262 V CA -0.582 61.574 62.300 -0.240 0.000 0.976 262 V CB 1.798 33.390 31.823 -0.386 0.000 1.038 262 V HN 0.790 nan 8.190 nan 0.000 0.446 263 E N -0.699 119.376 120.200 -0.209 0.000 2.868 263 E HA -0.152 4.197 4.350 -0.000 0.000 0.278 263 E C -0.090 176.443 176.600 -0.111 0.000 1.009 263 E CA 0.763 57.059 56.400 -0.173 0.000 0.856 263 E CB -1.370 28.200 29.700 -0.216 0.000 1.428 263 E HN 0.710 nan 8.360 nan 0.000 0.423 264 V N 1.613 121.475 119.914 -0.088 0.000 2.614 264 V HA 0.227 4.347 4.120 -0.000 0.000 0.291 264 V C 0.881 176.950 176.094 -0.042 0.000 1.049 264 V CA -0.092 62.175 62.300 -0.055 0.000 1.038 264 V CB 1.454 33.252 31.823 -0.041 0.000 0.980 264 V HN 0.177 nan 8.190 nan 0.000 0.481 265 N N 5.964 124.646 118.700 -0.031 0.000 2.725 265 N HA 0.280 5.020 4.740 -0.000 0.000 0.248 265 N C -1.491 174.009 175.510 -0.017 0.000 1.402 265 N CA -1.768 51.268 53.050 -0.024 0.000 0.766 265 N CB 1.746 40.218 38.487 -0.024 0.000 1.223 265 N HN 0.260 nan 8.380 nan 0.000 0.515 266 P HA -0.215 nan 4.420 nan 0.000 0.219 266 P C 1.433 178.721 177.300 -0.020 0.000 1.153 266 P CA 0.921 64.011 63.100 -0.017 0.000 0.865 266 P CB 0.534 32.223 31.700 -0.018 0.000 0.788 267 I N -1.137 119.422 120.570 -0.017 0.000 2.700 267 I HA -0.136 4.034 4.170 -0.000 0.000 0.261 267 I C 2.128 178.237 176.117 -0.012 0.000 1.219 267 I CA 1.286 62.577 61.300 -0.015 0.000 1.463 267 I CB -0.789 37.205 38.000 -0.011 0.000 1.092 267 I HN -0.037 nan 8.210 nan 0.000 0.452 268 L N -0.960 120.256 121.223 -0.011 0.000 3.014 268 L HA 0.261 4.601 4.340 -0.000 0.000 0.263 268 L C 0.112 176.977 176.870 -0.009 0.000 1.207 268 L CA -0.216 54.620 54.840 -0.007 0.000 1.017 268 L CB 0.092 42.149 42.059 -0.003 0.000 1.360 268 L HN 0.050 nan 8.230 nan 0.000 0.560 269 D N 0.866 121.258 120.400 -0.014 0.000 2.494 269 D HA 0.394 5.033 4.640 -0.000 0.000 0.259 269 D C -0.598 175.691 176.300 -0.017 0.000 1.109 269 D CA -0.202 53.790 54.000 -0.015 0.000 1.040 269 D CB 1.381 42.172 40.800 -0.016 0.000 1.175 269 D HN 0.046 nan 8.370 nan 0.000 0.584 270 E N 0.621 120.810 120.200 -0.019 0.000 2.260 270 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 270 E C -0.476 176.109 176.600 -0.024 0.000 0.887 270 E CA -0.783 55.604 56.400 -0.021 0.000 0.777 270 E CB 1.999 31.687 29.700 -0.020 0.000 1.205 270 E HN 0.301 nan 8.360 nan 0.000 0.414 271 R N 2.179 122.663 120.500 -0.027 0.000 3.516 271 R HA -0.259 4.081 4.340 -0.000 0.000 0.271 271 R C -0.014 176.273 176.300 -0.023 0.000 1.098 271 R CA 0.806 56.889 56.100 -0.027 0.000 0.732 271 R CB -2.183 28.102 30.300 -0.025 0.000 1.152 271 R HN 0.984 nan 8.270 nan 0.000 0.455 272 N N 0.488 119.174 118.700 -0.024 0.000 2.686 272 N HA -0.258 4.481 4.740 -0.000 0.000 0.249 272 N C 1.167 176.675 175.510 -0.003 0.000 1.082 272 N CA 1.776 54.818 53.050 -0.013 0.000 0.725 272 N CB -0.212 38.269 38.487 -0.009 0.000 1.009 272 N HN 0.753 nan 8.380 nan 0.000 0.545 273 R N -3.012 117.481 120.500 -0.011 0.000 2.276 273 R HA 0.063 4.402 4.340 -0.000 0.000 0.203 273 R C 1.291 177.587 176.300 -0.006 0.000 1.017 273 R CA 1.412 57.505 56.100 -0.011 0.000 1.010 273 R CB -0.338 29.947 30.300 -0.026 0.000 0.900 273 R HN 0.174 nan 8.270 nan 0.000 0.469 274 T N 0.941 115.492 114.554 -0.006 0.000 2.896 274 T HA 0.063 4.413 4.350 -0.000 0.000 0.263 274 T C 2.062 176.762 174.700 -0.000 0.000 1.050 274 T CA 1.164 63.261 62.100 -0.004 0.000 1.140 274 T CB -0.042 68.820 68.868 -0.011 0.000 0.877 274 T HN 0.460 nan 8.240 nan 0.000 0.457 275 A N 1.550 124.372 122.820 0.004 0.000 1.898 275 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 275 A C 2.179 179.774 177.584 0.018 0.000 1.181 275 A CA 1.568 53.610 52.037 0.009 0.000 0.620 275 A CB -0.583 18.432 19.000 0.024 0.000 0.819 275 A HN 0.500 nan 8.150 nan 0.000 0.442 276 E N -0.954 119.262 120.200 0.025 0.000 2.085 276 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 276 E C 2.123 178.757 176.600 0.056 0.000 0.994 276 E CA 1.465 57.886 56.400 0.036 0.000 0.801 276 E CB -0.173 29.544 29.700 0.027 0.000 0.743 276 E HN 0.466 nan 8.360 nan 0.000 0.453 277 M N -0.099 119.534 119.600 0.056 0.000 2.080 277 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 277 M C 2.229 178.563 176.300 0.056 0.000 1.068 277 M CA 1.212 56.570 55.300 0.097 0.000 1.109 277 M CB -0.561 32.081 32.600 0.070 0.000 1.342 277 M HN 0.192 nan 8.290 nan 0.000 0.405 278 L N -0.538 120.692 121.223 0.010 0.000 1.988 278 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 278 L C 2.494 179.354 176.870 -0.017 0.000 1.071 278 L CA 1.288 56.113 54.840 -0.025 0.000 0.744 278 L CB -1.219 40.818 42.059 -0.037 0.000 0.893 278 L HN 0.018 nan 8.230 nan 0.000 0.433 279 V N 0.014 119.926 119.914 -0.002 0.000 2.278 279 V HA -0.348 3.771 4.120 -0.000 0.000 0.251 279 V C 2.542 178.642 176.094 0.009 0.000 1.062 279 V CA 2.075 64.371 62.300 -0.006 0.000 1.038 279 V CB -1.528 30.296 31.823 0.002 0.000 0.646 279 V HN 0.644 nan 8.190 nan 0.000 0.447 280 G N -0.625 108.209 108.800 0.057 0.000 2.491 280 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 280 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 280 G C 1.556 176.555 174.900 0.165 0.000 1.180 280 G CA 1.144 46.326 45.100 0.137 0.000 0.774 280 G HN 0.473 nan 8.290 nan 0.000 0.562 281 L N 0.632 121.867 121.223 0.020 0.000 2.131 281 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 281 L C 3.438 180.267 176.870 -0.069 0.000 1.092 281 L CA 0.925 55.677 54.840 -0.147 0.000 0.759 281 L CB -0.477 41.429 42.059 -0.254 0.000 0.903 281 L HN 0.353 nan 8.230 nan 0.000 0.435 282 A N 0.553 123.338 122.820 -0.058 0.000 1.865 282 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 282 A C 2.165 179.683 177.584 -0.110 0.000 1.191 282 A CA 1.451 53.439 52.037 -0.082 0.000 0.623 282 A CB -0.790 18.162 19.000 -0.079 0.000 0.826 282 A HN 0.368 nan 8.150 nan 0.000 0.444 283 L N -0.433 120.739 121.223 -0.085 0.000 2.197 283 L HA -0.209 4.130 4.340 -0.000 0.000 0.215 283 L C 2.741 179.562 176.870 -0.081 0.000 1.095 283 L CA 1.644 56.418 54.840 -0.111 0.000 0.764 283 L CB -0.825 41.198 42.059 -0.060 0.000 0.897 283 L HN 0.410 nan 8.230 nan 0.000 0.436 284 S N -0.054 115.643 115.700 -0.006 0.000 2.357 284 S HA -0.096 4.374 4.470 -0.000 0.000 0.221 284 S C 1.838 176.418 174.600 -0.033 0.000 1.031 284 S CA 0.759 58.973 58.200 0.023 0.000 0.982 284 S CB -0.081 63.212 63.200 0.155 0.000 0.853 284 S HN 0.233 nan 8.310 nan 0.000 0.458 285 L N 1.308 122.495 121.223 -0.060 0.000 2.083 285 L HA 0.081 4.420 4.340 -0.000 0.000 0.209 285 L C 0.721 177.520 176.870 -0.117 0.000 1.083 285 L CA 1.407 56.209 54.840 -0.063 0.000 0.752 285 L CB -0.435 41.596 42.059 -0.047 0.000 0.899 285 L HN 0.225 nan 8.230 nan 0.000 0.433 286 L N 0.638 121.725 121.223 -0.226 0.000 2.862 286 L HA 0.335 4.675 4.340 -0.000 0.000 0.240 286 L C 1.552 178.323 176.870 -0.164 0.000 1.283 286 L CA 0.638 55.277 54.840 -0.335 0.000 1.117 286 L CB -1.229 40.405 42.059 -0.709 0.000 1.444 286 L HN 0.411 nan 8.230 nan 0.000 0.456 287 G N -0.887 107.869 108.800 -0.073 0.000 2.184 287 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 287 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 287 G C 0.774 175.664 174.900 -0.016 0.000 0.975 287 G CA 0.358 45.449 45.100 -0.016 0.000 0.642 287 G HN 0.419 nan 8.290 nan 0.000 0.536 288 K N 0.472 120.844 120.400 -0.047 0.000 2.451 288 K HA 0.457 4.777 4.320 -0.000 0.000 0.280 288 K C 0.633 177.222 176.600 -0.019 0.000 1.020 288 K CA 0.172 56.438 56.287 -0.034 0.000 1.008 288 K CB 0.192 32.657 32.500 -0.057 0.000 0.917 288 K HN 0.396 nan 8.250 nan 0.000 0.478 289 R N 3.015 123.513 120.500 -0.003 0.000 2.836 289 R HA 0.264 4.604 4.340 -0.000 0.000 0.269 289 R C 0.708 177.017 176.300 0.015 0.000 1.010 289 R CA -0.778 55.328 56.100 0.011 0.000 0.930 289 R CB 0.615 30.943 30.300 0.046 0.000 1.218 289 R HN 0.469 nan 8.270 nan 0.000 0.473 290 I N 0.307 120.888 120.570 0.017 0.000 2.202 290 I HA -0.036 4.134 4.170 -0.000 0.000 0.242 290 I C 0.684 176.821 176.117 0.034 0.000 1.091 290 I CA 1.450 62.745 61.300 -0.008 0.000 1.368 290 I CB -0.008 37.978 38.000 -0.022 0.000 1.058 290 I HN 0.339 nan 8.210 nan 0.000 0.410 291 F N 0.000 119.935 119.950 -0.025 0.000 2.286 291 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 291 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 291 F CB 0.000 38.991 39.000 -0.014 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574