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 2jgr_1_A DATA FIRST_RESID 4 DATA SEQUENCE FPASLLILNG KSTDNLPLRE AIXLLREEGX TIHVRVTWEK GDAARYVEEA DATA SEQUENCE RKFGVATVIA GGGDGTINEV STALIQCEGD DIPALGILPL GTANDFATSV DATA SEQUENCE GIPEALDKAL KLAIAGDAIA IDXAQVNKQT CFINXATGGF GTXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXIHGLXRXD TLQPDRCEIR GENFHWQGDA LVIGIGNGRQ DATA SEQUENCE AGGGQQLCPN ALINDGLLQL RIFTGDXXXX XXXXXXXXXX XNPNIIEGAS DATA SEQUENCE SWFDIQAPHD ITFNLDGEPL SGQNFHIEIL PAALRCRLPP DCPLLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.793 175.800 -0.012 0.000 0.967 4 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 4 F CB 0.000 38.987 39.000 -0.022 0.000 1.145 5 P HA 0.560 nan 4.420 nan 0.000 0.285 5 P C -0.760 176.588 177.300 0.080 0.000 1.259 5 P CA -0.387 62.799 63.100 0.143 0.000 0.794 5 P CB 1.258 33.029 31.700 0.118 0.000 0.940 6 A N 2.252 125.107 122.820 0.058 0.000 2.386 6 A HA 0.573 4.892 4.320 -0.002 0.000 0.248 6 A C 0.043 177.648 177.584 0.036 0.000 1.082 6 A CA -0.059 51.985 52.037 0.011 0.000 0.789 6 A CB 0.060 19.085 19.000 0.041 0.000 1.025 6 A HN 0.533 nan 8.150 nan 0.000 0.490 7 S N -0.077 115.625 115.700 0.003 0.000 2.540 7 S HA 0.574 5.042 4.470 -0.002 0.000 0.275 7 S C -1.096 173.563 174.600 0.098 0.000 1.123 7 S CA -0.454 57.774 58.200 0.047 0.000 0.907 7 S CB 1.438 64.638 63.200 0.000 0.000 1.081 7 S HN 0.849 nan 8.310 nan 0.000 0.476 8 L N 3.327 124.650 121.223 0.167 0.000 2.333 8 L HA 0.756 5.095 4.340 -0.002 0.000 0.280 8 L C -1.525 175.410 176.870 0.108 0.000 1.004 8 L CA -0.964 53.996 54.840 0.201 0.000 0.820 8 L CB 1.217 43.450 42.059 0.289 0.000 1.247 8 L HN 0.660 nan 8.230 nan 0.000 0.416 9 L N 6.357 127.622 121.223 0.069 0.000 2.296 9 L HA 0.559 4.897 4.340 -0.002 0.000 0.286 9 L C -0.949 175.935 176.870 0.024 0.000 1.023 9 L CA 0.022 54.886 54.840 0.040 0.000 0.812 9 L CB 1.307 43.376 42.059 0.016 0.000 1.223 9 L HN 0.528 nan 8.230 nan 0.000 0.421 10 I N 6.631 127.227 120.570 0.043 0.000 2.306 10 I HA 0.264 4.432 4.170 -0.002 0.000 0.288 10 I C -0.525 175.623 176.117 0.053 0.000 1.036 10 I CA -0.325 61.007 61.300 0.052 0.000 1.221 10 I CB 0.901 38.967 38.000 0.110 0.000 1.385 10 I HN 0.489 nan 8.210 nan 0.000 0.472 11 L N 5.903 127.148 121.223 0.036 0.000 2.292 11 L HA 0.287 4.626 4.340 -0.002 0.000 0.284 11 L C 0.305 177.215 176.870 0.066 0.000 1.065 11 L CA -0.471 54.394 54.840 0.042 0.000 0.806 11 L CB 1.170 43.245 42.059 0.025 0.000 1.175 11 L HN 0.551 nan 8.230 nan 0.000 0.431 12 N N 1.803 120.538 118.700 0.059 0.000 2.497 12 N HA 0.061 4.800 4.740 -0.002 0.000 0.268 12 N C 1.191 176.738 175.510 0.060 0.000 1.171 12 N CA 0.574 53.660 53.050 0.060 0.000 0.948 12 N CB 1.706 40.218 38.487 0.042 0.000 1.069 12 N HN 0.659 nan 8.380 nan 0.000 0.460 13 G N 2.925 111.769 108.800 0.074 0.000 2.507 13 G HA2 -0.305 3.653 3.960 -0.002 0.000 0.221 13 G HA3 -0.305 3.653 3.960 -0.002 0.000 0.221 13 G C 1.234 176.171 174.900 0.060 0.000 1.119 13 G CA 1.024 46.177 45.100 0.088 0.000 0.751 13 G HN 0.646 nan 8.290 nan 0.000 0.574 14 K N 0.795 121.216 120.400 0.035 0.000 2.005 14 K HA -0.011 4.308 4.320 -0.002 0.000 0.206 14 K C 2.329 178.945 176.600 0.026 0.000 1.044 14 K CA 1.109 57.411 56.287 0.024 0.000 0.942 14 K CB -0.206 32.300 32.500 0.009 0.000 0.727 14 K HN 0.329 nan 8.250 nan 0.000 0.439 15 S N 1.528 117.243 115.700 0.025 0.000 3.188 15 S HA -0.051 4.417 4.470 -0.002 0.000 0.257 15 S C 1.078 175.693 174.600 0.024 0.000 1.163 15 S CA 0.470 58.684 58.200 0.023 0.000 1.259 15 S CB -1.069 62.145 63.200 0.022 0.000 0.995 15 S HN 0.338 nan 8.310 nan 0.000 0.474 16 T N -0.143 114.428 114.554 0.028 0.000 2.925 16 T HA -0.004 4.345 4.350 -0.002 0.000 0.232 16 T C 0.093 174.804 174.700 0.018 0.000 1.055 16 T CA 0.192 62.308 62.100 0.027 0.000 1.419 16 T CB -1.580 67.309 68.868 0.036 0.000 1.094 16 T HN 0.530 nan 8.240 nan 0.000 0.423 17 D N 2.935 123.346 120.400 0.018 0.000 5.247 17 D HA 0.035 4.674 4.640 -0.002 0.000 0.184 17 D C -0.025 176.281 176.300 0.010 0.000 1.197 17 D CA 0.488 54.496 54.000 0.013 0.000 0.747 17 D CB -0.888 39.921 40.800 0.015 0.000 1.304 17 D HN 0.602 nan 8.370 nan 0.000 0.732 18 N N 2.370 121.074 118.700 0.006 0.000 4.007 18 N HA -0.062 4.676 4.740 -0.002 0.000 0.141 18 N C 0.080 175.591 175.510 0.001 0.000 1.418 18 N CA -0.392 52.660 53.050 0.004 0.000 1.130 18 N CB -0.400 38.091 38.487 0.006 0.000 1.740 18 N HN 0.278 nan 8.380 nan 0.000 0.731 19 L N 2.730 123.953 121.223 -0.000 0.000 2.043 19 L HA -0.006 4.333 4.340 -0.002 0.000 0.212 19 L C -0.581 176.286 176.870 -0.006 0.000 1.075 19 L CA 2.289 57.127 54.840 -0.003 0.000 0.752 19 L CB -0.583 41.475 42.059 -0.003 0.000 0.891 19 L HN 0.437 nan 8.230 nan 0.000 0.432 20 P HA -0.243 nan 4.420 nan 0.000 0.215 20 P C 1.919 179.213 177.300 -0.010 0.000 1.157 20 P CA 1.521 64.617 63.100 -0.007 0.000 0.874 20 P CB -0.133 31.564 31.700 -0.005 0.000 0.790 21 L N -0.052 121.166 121.223 -0.008 0.000 2.017 21 L HA -0.098 4.241 4.340 -0.002 0.000 0.208 21 L C 2.827 179.687 176.870 -0.015 0.000 1.073 21 L CA 1.815 56.648 54.840 -0.010 0.000 0.745 21 L CB -1.154 40.902 42.059 -0.005 0.000 0.894 21 L HN -0.240 nan 8.230 nan 0.000 0.432 22 R N -0.412 120.081 120.500 -0.013 0.000 2.096 22 R HA -0.210 4.128 4.340 -0.002 0.000 0.240 22 R C 2.185 178.472 176.300 -0.022 0.000 1.139 22 R CA 2.218 58.308 56.100 -0.017 0.000 0.952 22 R CB -0.238 30.055 30.300 -0.012 0.000 0.854 22 R HN 0.579 nan 8.270 nan 0.000 0.436 23 E N -0.487 119.702 120.200 -0.019 0.000 2.107 23 E HA -0.130 4.218 4.350 -0.002 0.000 0.191 23 E C 1.948 178.532 176.600 -0.027 0.000 0.982 23 E CA 0.888 57.275 56.400 -0.022 0.000 0.809 23 E CB -0.069 29.621 29.700 -0.016 0.000 0.756 23 E HN 0.440 nan 8.360 nan 0.000 0.459 24 A N 1.480 124.284 122.820 -0.026 0.000 1.902 24 A HA -0.111 4.208 4.320 -0.002 0.000 0.217 24 A C 1.504 179.061 177.584 -0.045 0.000 1.181 24 A CA 0.755 52.773 52.037 -0.032 0.000 0.623 24 A CB -0.543 18.441 19.000 -0.026 0.000 0.818 24 A HN 0.068 nan 8.150 nan 0.000 0.443 28 L N 0.081 121.243 121.223 -0.101 0.000 2.156 28 L HA 0.003 4.342 4.340 -0.002 0.000 0.208 28 L C 2.507 179.257 176.870 -0.200 0.000 1.095 28 L CA 1.564 56.309 54.840 -0.158 0.000 0.770 28 L CB -0.577 41.386 42.059 -0.160 0.000 0.914 28 L HN 0.193 nan 8.230 nan 0.000 0.439 29 R N 0.268 120.674 120.500 -0.155 0.000 2.096 29 R HA -0.170 4.169 4.340 -0.002 0.000 0.235 29 R C 2.161 178.382 176.300 -0.131 0.000 1.127 29 R CA 1.501 57.507 56.100 -0.156 0.000 0.968 29 R CB -0.046 30.180 30.300 -0.122 0.000 0.861 29 R HN 0.666 nan 8.270 nan 0.000 0.440 30 E N -0.913 119.227 120.200 -0.099 0.000 2.340 30 E HA -0.110 4.239 4.350 -0.002 0.000 0.194 30 E C 1.404 177.971 176.600 -0.055 0.000 0.996 30 E CA 0.421 56.781 56.400 -0.066 0.000 0.869 30 E CB -0.134 29.538 29.700 -0.046 0.000 0.835 30 E HN 0.350 nan 8.360 nan 0.000 0.493 31 E N 1.527 121.679 120.200 -0.082 0.000 2.463 31 E HA -0.021 4.328 4.350 -0.002 0.000 0.201 31 E C 0.442 177.004 176.600 -0.063 0.000 1.045 31 E CA 0.627 56.993 56.400 -0.058 0.000 0.872 31 E CB -0.150 29.496 29.700 -0.091 0.000 0.797 31 E HN 0.382 nan 8.360 nan 0.000 0.538 35 I N 4.401 124.758 120.570 -0.354 0.000 2.563 35 I HA 0.282 4.450 4.170 -0.002 0.000 0.276 35 I C 0.177 176.146 176.117 -0.248 0.000 1.074 35 I CA -0.892 60.256 61.300 -0.253 0.000 1.124 35 I CB 0.764 38.673 38.000 -0.151 0.000 1.225 35 I HN 0.584 nan 8.210 nan 0.000 0.482 36 H N 4.347 123.367 119.070 -0.084 0.000 2.790 36 H HA 0.327 4.881 4.556 -0.002 0.000 0.358 36 H C -0.145 175.150 175.328 -0.054 0.000 1.103 36 H CA 0.024 56.026 56.048 -0.077 0.000 1.426 36 H CB 1.794 31.529 29.762 -0.046 0.000 1.424 36 H HN 0.196 nan 8.280 nan 0.000 0.599 37 V N 4.081 124.028 119.914 0.054 0.000 2.769 37 V HA 0.459 4.578 4.120 -0.002 0.000 0.312 37 V C 0.084 176.118 176.094 -0.100 0.000 1.061 37 V CA -0.801 61.489 62.300 -0.017 0.000 0.931 37 V CB 2.075 33.882 31.823 -0.028 0.000 1.010 37 V HN 0.679 nan 8.190 nan 0.000 0.433 38 R N 2.110 122.497 120.500 -0.189 0.000 2.548 38 R HA 0.617 4.955 4.340 -0.002 0.000 0.280 38 R C -1.666 174.472 176.300 -0.270 0.000 1.061 38 R CA -0.552 55.269 56.100 -0.465 0.000 0.915 38 R CB 2.009 31.686 30.300 -1.039 0.000 1.210 38 R HN 0.453 nan 8.270 nan 0.000 0.442 39 V N 2.000 121.821 119.914 -0.155 0.000 2.483 39 V HA 0.507 4.625 4.120 -0.002 0.000 0.295 39 V C 0.538 176.775 176.094 0.238 0.000 1.035 39 V CA -0.642 61.688 62.300 0.049 0.000 0.896 39 V CB 2.057 33.917 31.823 0.061 0.000 0.986 39 V HN 0.916 nan 8.190 nan 0.000 0.447 40 T N 0.126 114.831 114.554 0.251 0.000 2.928 40 T HA 0.341 4.690 4.350 -0.002 0.000 0.284 40 T C -0.063 174.818 174.700 0.301 0.000 1.008 40 T CA -0.371 61.916 62.100 0.312 0.000 1.057 40 T CB 1.753 70.746 68.868 0.208 0.000 1.018 40 T HN 0.774 nan 8.240 nan 0.000 0.493 41 W N 1.561 122.916 121.300 0.093 0.000 2.873 41 W HA 0.327 4.986 4.660 -0.003 0.000 0.282 41 W C 0.379 176.919 176.519 0.035 0.000 1.118 41 W CA 0.067 57.446 57.345 0.057 0.000 1.480 41 W CB 0.511 30.002 29.460 0.051 0.000 0.954 41 W HN 1.068 nan 8.180 nan 0.000 0.591 42 E N -0.460 119.769 120.200 0.048 0.000 2.427 42 E HA 0.164 4.513 4.350 -0.002 0.000 0.279 42 E C -1.303 175.288 176.600 -0.015 0.000 1.120 42 E CA -0.948 55.397 56.400 -0.092 0.000 0.869 42 E CB 0.514 30.113 29.700 -0.167 0.000 1.393 42 E HN -0.232 nan 8.360 nan 0.000 0.443 43 K N -0.128 120.248 120.400 -0.041 0.000 2.543 43 K HA 0.165 4.484 4.320 -0.002 0.000 0.279 43 K C 1.006 177.604 176.600 -0.005 0.000 1.001 43 K CA 2.657 58.933 56.287 -0.018 0.000 1.088 43 K CB -0.095 32.391 32.500 -0.023 0.000 0.863 43 K HN 0.844 nan 8.250 nan 0.000 0.488 44 G N 2.968 111.761 108.800 -0.011 0.000 2.258 44 G HA2 -0.277 3.681 3.960 -0.002 0.000 0.233 44 G HA3 -0.277 3.681 3.960 -0.002 0.000 0.233 44 G C 0.758 175.619 174.900 -0.066 0.000 1.006 44 G CA 0.330 45.413 45.100 -0.028 0.000 0.620 44 G HN 0.711 nan 8.290 nan 0.000 0.511 45 D N 1.126 121.493 120.400 -0.056 0.000 2.097 45 D HA 0.086 4.724 4.640 -0.002 0.000 0.195 45 D C 2.786 178.986 176.300 -0.166 0.000 0.989 45 D CA 1.992 55.898 54.000 -0.157 0.000 0.827 45 D CB -0.748 40.045 40.800 -0.012 0.000 0.966 45 D HN 0.741 nan 8.370 nan 0.000 0.456 46 A N 1.245 124.066 122.820 0.001 0.000 1.896 46 A HA -0.239 4.080 4.320 -0.002 0.000 0.220 46 A C 2.351 179.949 177.584 0.023 0.000 1.206 46 A CA 3.092 55.168 52.037 0.064 0.000 0.647 46 A CB -1.033 18.000 19.000 0.056 0.000 0.828 46 A HN 0.274 nan 8.150 nan 0.000 0.455 47 A N -0.964 121.842 122.820 -0.024 0.000 1.933 47 A HA -0.175 4.144 4.320 -0.002 0.000 0.218 47 A C 2.259 179.805 177.584 -0.063 0.000 1.175 47 A CA 1.817 53.836 52.037 -0.030 0.000 0.628 47 A CB -0.492 18.487 19.000 -0.034 0.000 0.814 47 A HN 0.580 nan 8.150 nan 0.000 0.444 48 R N -1.929 118.478 120.500 -0.154 0.000 2.081 48 R HA -0.157 4.182 4.340 -0.002 0.000 0.235 48 R C 1.660 177.888 176.300 -0.121 0.000 1.131 48 R CA 1.754 57.728 56.100 -0.209 0.000 0.960 48 R CB -0.299 29.776 30.300 -0.375 0.000 0.856 48 R HN 0.586 nan 8.270 nan 0.000 0.436 49 Y N -0.685 119.612 120.300 -0.005 0.000 2.475 49 Y HA -0.022 4.527 4.550 -0.003 0.000 0.289 49 Y C 2.126 178.020 175.900 -0.010 0.000 1.121 49 Y CA 0.024 58.121 58.100 -0.005 0.000 1.257 49 Y CB -0.277 38.200 38.460 0.029 0.000 1.026 49 Y HN -0.139 nan 8.280 nan 0.000 0.555 50 V N -0.062 119.926 119.914 0.124 0.000 2.295 50 V HA -0.246 3.872 4.120 -0.002 0.000 0.246 50 V C 2.413 178.517 176.094 0.017 0.000 1.049 50 V CA 2.133 64.473 62.300 0.066 0.000 1.024 50 V CB -0.351 31.498 31.823 0.044 0.000 0.648 50 V HN 0.198 nan 8.190 nan 0.000 0.447 51 E N 0.309 120.502 120.200 -0.011 0.000 2.118 51 E HA -0.246 4.103 4.350 -0.002 0.000 0.195 51 E C 2.200 178.739 176.600 -0.101 0.000 0.992 51 E CA 1.722 58.093 56.400 -0.049 0.000 0.804 51 E CB -0.216 29.450 29.700 -0.058 0.000 0.741 51 E HN 0.694 nan 8.360 nan 0.000 0.458 52 E N -0.799 119.339 120.200 -0.104 0.000 2.072 52 E HA -0.113 4.235 4.350 -0.002 0.000 0.190 52 E C 1.934 178.278 176.600 -0.428 0.000 0.982 52 E CA 0.786 57.018 56.400 -0.280 0.000 0.803 52 E CB -0.155 29.454 29.700 -0.151 0.000 0.755 52 E HN 0.273 nan 8.360 nan 0.000 0.453 53 A N 1.847 124.596 122.820 -0.120 0.000 1.917 53 A HA -0.240 4.078 4.320 -0.002 0.000 0.219 53 A C 2.162 179.746 177.584 0.000 0.000 1.182 53 A CA 1.484 53.539 52.037 0.031 0.000 0.633 53 A CB -0.539 18.526 19.000 0.108 0.000 0.819 53 A HN 0.159 nan 8.150 nan 0.000 0.448 54 R N -0.388 120.086 120.500 -0.044 0.000 2.073 54 R HA -0.132 4.207 4.340 -0.002 0.000 0.234 54 R C 2.187 178.452 176.300 -0.058 0.000 1.134 54 R CA 1.663 57.747 56.100 -0.027 0.000 0.952 54 R CB -0.602 29.680 30.300 -0.031 0.000 0.850 54 R HN 0.599 nan 8.270 nan 0.000 0.433 55 K N -0.139 120.154 120.400 -0.178 0.000 2.077 55 K HA -0.178 4.141 4.320 -0.002 0.000 0.213 55 K C 1.884 178.433 176.600 -0.085 0.000 1.051 55 K CA 1.837 57.998 56.287 -0.210 0.000 0.929 55 K CB -0.249 32.012 32.500 -0.398 0.000 0.715 55 K HN 0.049 nan 8.250 nan 0.000 0.451 56 F N -0.115 119.831 119.950 -0.006 0.000 2.604 56 F HA 0.086 4.611 4.527 -0.003 0.000 0.298 56 F C 1.629 177.458 175.800 0.049 0.000 1.131 56 F CA 0.897 58.907 58.000 0.016 0.000 1.457 56 F CB -0.692 38.311 39.000 0.005 0.000 1.095 56 F HN 0.255 nan 8.300 nan 0.000 0.574 57 G N 0.788 109.709 108.800 0.201 0.000 2.225 57 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.267 57 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.267 57 G C 0.431 175.423 174.900 0.153 0.000 1.024 57 G CA 0.215 45.398 45.100 0.139 0.000 0.784 57 G HN 0.232 nan 8.290 nan 0.000 0.507 58 V N -0.350 119.686 119.914 0.202 0.000 3.209 58 V HA 0.289 4.408 4.120 -0.002 0.000 0.305 58 V C 1.904 178.070 176.094 0.119 0.000 1.127 58 V CA 1.404 63.814 62.300 0.183 0.000 1.235 58 V CB 1.138 33.110 31.823 0.249 0.000 0.987 58 V HN 0.985 nan 8.190 nan 0.000 0.499 59 A N 3.563 126.443 122.820 0.100 0.000 1.943 59 A HA 0.196 4.514 4.320 -0.002 0.000 0.213 59 A C 0.976 178.603 177.584 0.071 0.000 1.181 59 A CA 1.063 53.147 52.037 0.078 0.000 0.653 59 A CB 0.044 19.087 19.000 0.072 0.000 0.833 59 A HN 0.777 nan 8.150 nan 0.000 0.451 60 T N -0.652 113.947 114.554 0.076 0.000 2.909 60 T HA 0.539 4.888 4.350 -0.002 0.000 0.299 60 T C -1.016 173.731 174.700 0.079 0.000 1.073 60 T CA -0.438 61.703 62.100 0.068 0.000 0.999 60 T CB 2.014 70.916 68.868 0.057 0.000 1.098 60 T HN -0.022 nan 8.240 nan 0.000 0.477 61 V N 3.243 123.201 119.914 0.074 0.000 2.435 61 V HA 0.516 4.634 4.120 -0.002 0.000 0.290 61 V C -0.269 175.865 176.094 0.067 0.000 1.030 61 V CA -0.784 61.564 62.300 0.079 0.000 0.881 61 V CB 1.309 33.180 31.823 0.079 0.000 0.983 61 V HN 0.756 nan 8.190 nan 0.000 0.445 62 I N 3.969 124.577 120.570 0.065 0.000 2.330 62 I HA 0.543 4.711 4.170 -0.002 0.000 0.289 62 I C 0.548 176.698 176.117 0.056 0.000 1.001 62 I CA -0.527 60.806 61.300 0.055 0.000 1.193 62 I CB 1.650 39.676 38.000 0.042 0.000 1.345 62 I HN 0.679 nan 8.210 nan 0.000 0.461 63 A N 5.169 128.024 122.820 0.058 0.000 2.350 63 A HA 0.549 4.868 4.320 -0.002 0.000 0.293 63 A C 0.620 178.237 177.584 0.054 0.000 1.231 63 A CA -0.307 51.765 52.037 0.058 0.000 0.883 63 A CB -0.091 18.942 19.000 0.055 0.000 1.133 63 A HN 0.886 nan 8.150 nan 0.000 0.533 64 G N 1.923 110.753 108.800 0.049 0.000 2.696 64 G HA2 0.586 4.545 3.960 -0.002 0.000 0.329 64 G HA3 0.586 4.545 3.960 -0.002 0.000 0.329 64 G C 0.199 175.125 174.900 0.042 0.000 0.973 64 G CA 0.299 45.424 45.100 0.042 0.000 1.257 64 G HN 1.463 nan 8.290 nan 0.000 0.456 65 G N 0.172 108.999 108.800 0.044 0.000 2.321 65 G HA2 0.649 4.607 3.960 -0.002 0.000 0.296 65 G HA3 0.649 4.607 3.960 -0.002 0.000 0.296 65 G C -0.015 174.914 174.900 0.047 0.000 1.287 65 G CA 0.132 45.257 45.100 0.042 0.000 0.846 65 G HN 0.845 nan 8.290 nan 0.000 0.508 66 G N -1.348 107.478 108.800 0.043 0.000 2.641 66 G HA2 0.471 4.430 3.960 -0.002 0.000 0.239 66 G HA3 0.471 4.430 3.960 -0.002 0.000 0.239 66 G C 0.501 175.436 174.900 0.058 0.000 1.402 66 G CA 0.639 45.771 45.100 0.052 0.000 1.046 66 G HN 0.440 nan 8.290 nan 0.000 0.565 67 D N 0.009 120.446 120.400 0.062 0.000 2.123 67 D HA -0.131 4.508 4.640 -0.002 0.000 0.196 67 D C 2.454 178.762 176.300 0.014 0.000 0.992 67 D CA 1.602 55.630 54.000 0.047 0.000 0.833 67 D CB -0.627 40.210 40.800 0.062 0.000 0.954 67 D HN 0.410 nan 8.370 nan 0.000 0.455 68 G N 0.509 109.318 108.800 0.015 0.000 2.440 68 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.218 68 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.218 68 G C 1.734 176.640 174.900 0.010 0.000 1.154 68 G CA 1.495 46.600 45.100 0.008 0.000 0.767 68 G HN 0.233 nan 8.290 nan 0.000 0.552 69 T N 1.332 115.897 114.554 0.018 0.000 2.821 69 T HA -0.018 4.331 4.350 -0.002 0.000 0.267 69 T C 2.401 177.114 174.700 0.022 0.000 1.046 69 T CA 0.901 63.017 62.100 0.027 0.000 1.139 69 T CB -0.138 68.752 68.868 0.038 0.000 0.871 69 T HN 0.269 nan 8.240 nan 0.000 0.454 70 I N 1.761 122.340 120.570 0.015 0.000 2.264 70 I HA -0.200 3.969 4.170 -0.002 0.000 0.248 70 I C 2.359 178.450 176.117 -0.043 0.000 1.111 70 I CA 0.941 62.235 61.300 -0.009 0.000 1.382 70 I CB -0.398 37.589 38.000 -0.022 0.000 1.060 70 I HN 0.157 nan 8.210 nan 0.000 0.418 71 N N 0.785 119.460 118.700 -0.041 0.000 2.244 71 N HA -0.150 4.589 4.740 -0.002 0.000 0.183 71 N C 1.698 177.201 175.510 -0.010 0.000 1.016 71 N CA 1.156 54.187 53.050 -0.033 0.000 0.866 71 N CB -0.186 38.297 38.487 -0.006 0.000 0.980 71 N HN 0.495 nan 8.380 nan 0.000 0.430 72 E N 0.163 120.365 120.200 0.003 0.000 2.107 72 E HA -0.050 4.298 4.350 -0.002 0.000 0.191 72 E C 1.888 178.497 176.600 0.015 0.000 0.982 72 E CA 0.723 57.130 56.400 0.012 0.000 0.809 72 E CB 0.130 29.841 29.700 0.019 0.000 0.756 72 E HN 0.099 nan 8.360 nan 0.000 0.459 73 V N 1.037 120.963 119.914 0.020 0.000 2.323 73 V HA -0.202 3.916 4.120 -0.002 0.000 0.244 73 V C 2.300 178.401 176.094 0.011 0.000 1.041 73 V CA 1.665 63.982 62.300 0.028 0.000 1.025 73 V CB -0.452 31.395 31.823 0.040 0.000 0.656 73 V HN 0.162 nan 8.190 nan 0.000 0.451 74 S N 0.107 115.801 115.700 -0.010 0.000 2.359 74 S HA -0.229 4.239 4.470 -0.002 0.000 0.224 74 S C 2.117 176.704 174.600 -0.021 0.000 1.035 74 S CA 2.166 60.351 58.200 -0.026 0.000 1.018 74 S CB -0.487 62.673 63.200 -0.067 0.000 0.876 74 S HN 0.676 nan 8.310 nan 0.000 0.448 75 T N 2.133 116.677 114.554 -0.016 0.000 2.746 75 T HA -0.009 4.339 4.350 -0.002 0.000 0.267 75 T C 2.119 176.816 174.700 -0.004 0.000 1.039 75 T CA 1.208 63.302 62.100 -0.010 0.000 1.142 75 T CB -0.457 68.411 68.868 0.000 0.000 0.866 75 T HN 0.460 nan 8.240 nan 0.000 0.444 76 A N 1.000 123.820 122.820 0.001 0.000 1.930 76 A HA 0.059 4.377 4.320 -0.002 0.000 0.217 76 A C 2.284 179.870 177.584 0.003 0.000 1.175 76 A CA 0.998 53.036 52.037 0.002 0.000 0.627 76 A CB -0.736 18.267 19.000 0.006 0.000 0.815 76 A HN 0.449 nan 8.150 nan 0.000 0.443 77 L N -0.407 120.820 121.223 0.005 0.000 1.976 77 L HA -0.189 4.149 4.340 -0.002 0.000 0.209 77 L C 2.423 179.294 176.870 0.001 0.000 1.071 77 L CA 1.857 56.702 54.840 0.007 0.000 0.746 77 L CB -0.709 41.357 42.059 0.010 0.000 0.890 77 L HN 0.649 nan 8.230 nan 0.000 0.432 78 I N -1.233 119.333 120.570 -0.006 0.000 3.241 78 I HA -0.198 3.971 4.170 -0.002 0.000 0.280 78 I C 1.488 177.601 176.117 -0.006 0.000 1.320 78 I CA 1.087 62.382 61.300 -0.009 0.000 1.413 78 I CB -0.693 37.296 38.000 -0.019 0.000 1.060 78 I HN 0.372 nan 8.210 nan 0.000 0.500 79 Q N -0.138 119.659 119.800 -0.004 0.000 2.206 79 Q HA 0.328 4.666 4.340 -0.002 0.000 0.265 79 Q C -0.312 175.685 176.000 -0.004 0.000 0.866 79 Q CA -0.363 55.437 55.803 -0.004 0.000 1.073 79 Q CB -0.390 28.346 28.738 -0.003 0.000 1.165 79 Q HN 0.421 nan 8.270 nan 0.000 0.465 80 C N 3.147 122.445 119.300 -0.002 0.000 2.514 80 C HA 0.244 4.703 4.460 -0.002 0.000 0.392 80 C C 0.784 175.772 174.990 -0.003 0.000 1.294 80 C CA -0.564 58.453 59.018 -0.003 0.000 1.957 80 C CB 0.177 27.918 27.740 0.001 0.000 2.541 80 C HN 0.425 nan 8.230 nan 0.000 0.569 81 E N 1.808 122.006 120.200 -0.004 0.000 2.404 81 E HA 0.508 4.856 4.350 -0.002 0.000 0.261 81 E C 0.717 177.316 176.600 -0.002 0.000 1.074 81 E CA 0.634 57.032 56.400 -0.004 0.000 0.917 81 E CB 0.349 30.046 29.700 -0.006 0.000 0.965 81 E HN 1.126 nan 8.360 nan 0.000 0.433 82 G N 1.759 110.559 108.800 -0.000 0.000 2.384 82 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.204 82 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.204 82 G C -0.014 174.889 174.900 0.005 0.000 1.237 82 G CA 0.040 45.142 45.100 0.002 0.000 1.060 82 G HN 0.507 nan 8.290 nan 0.000 0.514 83 D N -0.857 119.548 120.400 0.008 0.000 2.525 83 D HA 0.157 4.796 4.640 -0.002 0.000 0.248 83 D C 0.437 176.746 176.300 0.016 0.000 1.000 83 D CA 0.500 54.506 54.000 0.011 0.000 0.923 83 D CB 0.309 41.115 40.800 0.011 0.000 1.101 83 D HN 0.250 nan 8.370 nan 0.000 0.493 84 D N 1.124 121.535 120.400 0.019 0.000 2.767 84 D HA 0.150 4.789 4.640 -0.002 0.000 0.241 84 D C -0.222 176.094 176.300 0.028 0.000 1.187 84 D CA -0.283 53.732 54.000 0.026 0.000 0.999 84 D CB 0.100 40.919 40.800 0.032 0.000 1.042 84 D HN 0.149 nan 8.370 nan 0.000 0.510 85 I N 2.159 122.743 120.570 0.024 0.000 2.533 85 I HA 0.068 4.236 4.170 -0.002 0.000 0.284 85 I C -1.766 174.371 176.117 0.033 0.000 1.109 85 I CA -1.313 60.002 61.300 0.025 0.000 1.412 85 I CB 0.064 38.075 38.000 0.018 0.000 1.396 85 I HN -0.045 nan 8.210 nan 0.000 0.543 86 P HA 0.200 nan 4.420 nan 0.000 0.270 86 P C -0.566 176.761 177.300 0.045 0.000 1.223 86 P CA -0.297 62.834 63.100 0.051 0.000 0.785 86 P CB 0.569 32.306 31.700 0.062 0.000 0.923 87 A N 1.622 124.470 122.820 0.047 0.000 2.249 87 A HA 0.503 4.822 4.320 -0.002 0.000 0.281 87 A C -0.460 177.153 177.584 0.048 0.000 1.127 87 A CA -0.247 51.816 52.037 0.044 0.000 0.833 87 A CB -0.148 18.878 19.000 0.044 0.000 1.140 87 A HN 0.557 nan 8.150 nan 0.000 0.502 88 L N -0.281 120.970 121.223 0.048 0.000 2.343 88 L HA 0.766 5.105 4.340 -0.002 0.000 0.275 88 L C 0.258 177.164 176.870 0.061 0.000 1.056 88 L CA 0.371 55.243 54.840 0.053 0.000 0.804 88 L CB 1.372 43.461 42.059 0.050 0.000 1.203 88 L HN 0.818 nan 8.230 nan 0.000 0.440 89 G N 4.496 113.334 108.800 0.062 0.000 2.574 89 G HA2 0.702 4.661 3.960 -0.002 0.000 0.299 89 G HA3 0.702 4.661 3.960 -0.002 0.000 0.299 89 G C -1.612 173.329 174.900 0.068 0.000 1.298 89 G CA -0.579 44.558 45.100 0.061 0.000 0.952 89 G HN 0.643 nan 8.290 nan 0.000 0.477 90 I N 0.478 121.090 120.570 0.069 0.000 2.498 90 I HA 0.418 4.587 4.170 -0.002 0.000 0.290 90 I C -0.776 175.376 176.117 0.058 0.000 1.032 90 I CA -0.643 60.705 61.300 0.080 0.000 1.073 90 I CB 2.358 40.430 38.000 0.121 0.000 1.251 90 I HN 0.073 nan 8.210 nan 0.000 0.426 91 L N 7.656 128.911 121.223 0.054 0.000 2.372 91 L HA 0.446 4.784 4.340 -0.002 0.000 0.274 91 L C -2.434 174.462 176.870 0.044 0.000 0.988 91 L CA -1.787 53.076 54.840 0.039 0.000 0.833 91 L CB 2.151 44.228 42.059 0.029 0.000 1.236 91 L HN 0.257 nan 8.230 nan 0.000 0.410 92 P HA 0.137 nan 4.420 nan 0.000 0.271 92 P C 0.127 177.445 177.300 0.031 0.000 1.380 92 P CA 0.140 63.265 63.100 0.040 0.000 0.992 92 P CB 0.456 32.173 31.700 0.030 0.000 1.230 93 L N 1.638 122.882 121.223 0.034 0.000 3.259 93 L HA 0.295 4.633 4.340 -0.002 0.000 0.292 93 L C 1.474 178.359 176.870 0.026 0.000 1.219 93 L CA -0.256 54.600 54.840 0.026 0.000 1.035 93 L CB 0.539 42.613 42.059 0.026 0.000 1.424 93 L HN 0.315 nan 8.230 nan 0.000 0.603 94 G N 0.349 109.167 108.800 0.031 0.000 2.583 94 G HA2 0.194 4.153 3.960 -0.002 0.000 0.275 94 G HA3 0.194 4.153 3.960 -0.002 0.000 0.275 94 G C 1.027 175.938 174.900 0.019 0.000 1.342 94 G CA 0.633 45.749 45.100 0.026 0.000 1.030 94 G HN 0.177 nan 8.290 nan 0.000 0.520 95 T N -1.668 112.895 114.554 0.014 0.000 2.983 95 T HA 0.443 4.791 4.350 -0.002 0.000 0.250 95 T C 0.977 175.683 174.700 0.011 0.000 1.037 95 T CA 0.859 62.964 62.100 0.009 0.000 1.142 95 T CB 0.060 68.929 68.868 0.002 0.000 0.876 95 T HN 0.856 nan 8.240 nan 0.000 0.455 96 A N 1.285 124.114 122.820 0.015 0.000 2.355 96 A HA 0.690 5.009 4.320 -0.002 0.000 0.324 96 A C -0.248 177.359 177.584 0.037 0.000 1.117 96 A CA -0.933 51.117 52.037 0.021 0.000 0.785 96 A CB 0.817 19.828 19.000 0.017 0.000 1.254 96 A HN 0.313 nan 8.150 nan 0.000 0.453 97 N N 1.608 120.333 118.700 0.043 0.000 2.599 97 N HA 0.054 4.792 4.740 -0.002 0.000 0.309 97 N C -0.488 175.066 175.510 0.074 0.000 1.743 97 N CA -0.228 52.861 53.050 0.066 0.000 0.918 97 N CB 0.795 39.313 38.487 0.053 0.000 1.339 97 N HN 0.696 nan 8.380 nan 0.000 0.493 98 D N 0.677 121.125 120.400 0.079 0.000 2.154 98 D HA -0.240 4.399 4.640 -0.002 0.000 0.190 98 D C 1.454 177.817 176.300 0.104 0.000 1.003 98 D CA 1.447 55.494 54.000 0.078 0.000 0.849 98 D CB -0.019 40.832 40.800 0.086 0.000 0.942 98 D HN 0.320 nan 8.370 nan 0.000 0.446 99 F N 1.737 121.701 119.950 0.022 0.000 2.134 99 F HA -0.107 4.418 4.527 -0.003 0.000 0.299 99 F C 2.387 178.198 175.800 0.018 0.000 1.097 99 F CA 1.504 59.519 58.000 0.025 0.000 1.264 99 F CB -0.238 38.782 39.000 0.032 0.000 1.001 99 F HN -0.084 nan 8.300 nan 0.000 0.479 100 A N -0.715 122.125 122.820 0.034 0.000 1.897 100 A HA -0.115 4.204 4.320 -0.002 0.000 0.215 100 A C 2.179 179.692 177.584 -0.119 0.000 1.181 100 A CA 2.005 54.003 52.037 -0.064 0.000 0.620 100 A CB -1.396 17.637 19.000 0.055 0.000 0.821 100 A HN 0.409 nan 8.150 nan 0.000 0.443 101 T N 0.953 115.467 114.554 -0.068 0.000 2.720 101 T HA -0.168 4.181 4.350 -0.002 0.000 0.268 101 T C 2.203 176.838 174.700 -0.109 0.000 1.037 101 T CA 2.133 64.194 62.100 -0.065 0.000 1.144 101 T CB -0.422 68.427 68.868 -0.031 0.000 0.864 101 T HN 0.763 nan 8.240 nan 0.000 0.444 102 S N 1.386 116.991 115.700 -0.159 0.000 2.489 102 S HA 0.005 4.473 4.470 -0.002 0.000 0.228 102 S C 1.953 176.413 174.600 -0.234 0.000 0.995 102 S CA 0.635 58.735 58.200 -0.167 0.000 0.934 102 S CB -0.493 62.622 63.200 -0.140 0.000 0.771 102 S HN 0.511 nan 8.310 nan 0.000 0.522 103 V N -1.882 117.826 119.914 -0.344 0.000 3.647 103 V HA 0.613 4.732 4.120 -0.002 0.000 0.279 103 V C 1.269 177.261 176.094 -0.171 0.000 1.314 103 V CA -0.137 61.981 62.300 -0.303 0.000 1.125 103 V CB -1.159 30.392 31.823 -0.453 0.000 0.907 103 V HN 0.613 nan 8.190 nan 0.000 0.434 104 G N 1.673 110.390 108.800 -0.140 0.000 2.295 104 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.287 104 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.287 104 G C -0.062 174.799 174.900 -0.065 0.000 1.055 104 G CA 0.302 45.352 45.100 -0.083 0.000 0.922 104 G HN 0.495 nan 8.290 nan 0.000 0.503 105 I N 0.498 121.027 120.570 -0.069 0.000 2.752 105 I HA 0.078 4.247 4.170 -0.002 0.000 0.289 105 I C -1.251 174.852 176.117 -0.022 0.000 1.197 105 I CA -1.873 59.407 61.300 -0.034 0.000 1.432 105 I CB -0.118 37.872 38.000 -0.017 0.000 1.359 105 I HN -0.006 nan 8.210 nan 0.000 0.571 106 P HA -0.000 nan 4.420 nan 0.000 0.264 106 P C 0.721 178.017 177.300 -0.006 0.000 1.183 106 P CA 0.066 63.161 63.100 -0.009 0.000 0.763 106 P CB 0.633 32.330 31.700 -0.005 0.000 0.807 107 E N 2.710 122.906 120.200 -0.007 0.000 2.028 107 E HA -0.089 4.259 4.350 -0.002 0.000 0.191 107 E C 0.776 177.375 176.600 -0.003 0.000 0.988 107 E CA 0.752 57.149 56.400 -0.005 0.000 0.799 107 E CB -0.786 28.910 29.700 -0.006 0.000 0.755 107 E HN 0.534 nan 8.360 nan 0.000 0.447 108 A N 3.654 126.472 122.820 -0.003 0.000 2.540 108 A HA -0.115 4.204 4.320 -0.002 0.000 0.268 108 A C 1.339 178.922 177.584 -0.002 0.000 1.061 108 A CA 0.195 52.230 52.037 -0.003 0.000 0.821 108 A CB -0.441 18.557 19.000 -0.003 0.000 0.970 108 A HN 0.347 nan 8.150 nan 0.000 0.524 109 L N 2.048 123.270 121.223 -0.002 0.000 2.129 109 L HA -0.197 4.141 4.340 -0.002 0.000 0.212 109 L C 1.890 178.757 176.870 -0.005 0.000 1.087 109 L CA 2.696 57.535 54.840 -0.002 0.000 0.757 109 L CB -0.513 41.545 42.059 -0.003 0.000 0.896 109 L HN 0.931 nan 8.230 nan 0.000 0.434 110 D N -0.633 119.763 120.400 -0.007 0.000 2.137 110 D HA -0.193 4.446 4.640 -0.002 0.000 0.202 110 D C 1.812 178.108 176.300 -0.007 0.000 0.970 110 D CA 0.575 54.569 54.000 -0.010 0.000 0.837 110 D CB -0.365 40.429 40.800 -0.010 0.000 0.981 110 D HN 0.274 nan 8.370 nan 0.000 0.475 111 K N 1.250 121.648 120.400 -0.003 0.000 2.103 111 K HA -0.031 4.288 4.320 -0.002 0.000 0.207 111 K C 2.283 178.884 176.600 0.001 0.000 1.048 111 K CA 1.118 57.405 56.287 -0.000 0.000 0.930 111 K CB -0.441 32.059 32.500 -0.000 0.000 0.716 111 K HN 0.216 nan 8.250 nan 0.000 0.444 112 A N 1.720 124.540 122.820 0.001 0.000 1.877 112 A HA -0.115 4.204 4.320 -0.002 0.000 0.216 112 A C 2.363 179.951 177.584 0.006 0.000 1.186 112 A CA 1.108 53.148 52.037 0.004 0.000 0.620 112 A CB -0.722 18.281 19.000 0.006 0.000 0.822 112 A HN 0.170 nan 8.150 nan 0.000 0.443 113 L N -0.749 120.474 121.223 -0.001 0.000 2.043 113 L HA -0.263 4.076 4.340 -0.002 0.000 0.212 113 L C 2.660 179.526 176.870 -0.006 0.000 1.075 113 L CA 2.136 56.973 54.840 -0.006 0.000 0.752 113 L CB -0.318 41.730 42.059 -0.019 0.000 0.891 113 L HN 0.510 nan 8.230 nan 0.000 0.432 114 K N -0.052 120.346 120.400 -0.004 0.000 2.002 114 K HA -0.246 4.072 4.320 -0.002 0.000 0.209 114 K C 2.020 178.629 176.600 0.014 0.000 1.048 114 K CA 1.418 57.706 56.287 0.003 0.000 0.930 114 K CB -0.369 32.135 32.500 0.006 0.000 0.714 114 K HN 0.014 nan 8.250 nan 0.000 0.438 115 L N 1.094 122.325 121.223 0.014 0.000 1.978 115 L HA -0.213 4.125 4.340 -0.002 0.000 0.218 115 L C 2.260 179.144 176.870 0.024 0.000 1.075 115 L CA 2.492 57.343 54.840 0.018 0.000 0.767 115 L CB -1.262 40.805 42.059 0.014 0.000 0.890 115 L HN 0.347 nan 8.230 nan 0.000 0.434 116 A N -1.044 121.789 122.820 0.022 0.000 1.940 116 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 116 A C 2.230 179.831 177.584 0.028 0.000 1.176 116 A CA 2.248 54.302 52.037 0.028 0.000 0.631 116 A CB -0.815 18.202 19.000 0.027 0.000 0.814 116 A HN 0.552 nan 8.150 nan 0.000 0.446 117 I N -1.460 119.121 120.570 0.018 0.000 2.480 117 I HA -0.033 4.136 4.170 -0.002 0.000 0.251 117 I C 2.490 178.632 176.117 0.042 0.000 1.124 117 I CA 1.187 62.499 61.300 0.020 0.000 1.444 117 I CB 0.053 38.047 38.000 -0.010 0.000 1.098 117 I HN 0.298 nan 8.210 nan 0.000 0.428 118 A N 0.149 122.996 122.820 0.045 0.000 2.192 118 A HA 0.431 4.749 4.320 -0.002 0.000 0.208 118 A C 1.564 179.176 177.584 0.048 0.000 1.220 118 A CA 0.364 52.438 52.037 0.062 0.000 0.900 118 A CB -0.781 18.265 19.000 0.077 0.000 0.937 118 A HN 0.291 nan 8.150 nan 0.000 0.487 119 G N 0.551 109.373 108.800 0.038 0.000 2.765 119 G HA2 0.201 4.160 3.960 -0.002 0.000 0.230 119 G HA3 0.201 4.160 3.960 -0.002 0.000 0.230 119 G C -0.833 174.085 174.900 0.031 0.000 1.238 119 G CA 0.075 45.194 45.100 0.031 0.000 0.854 119 G HN 0.272 nan 8.290 nan 0.000 0.579 120 D N 0.432 120.847 120.400 0.025 0.000 2.312 120 D HA 0.454 5.093 4.640 -0.002 0.000 0.252 120 D C 0.691 177.007 176.300 0.027 0.000 1.150 120 D CA 0.274 54.289 54.000 0.024 0.000 0.870 120 D CB 1.462 42.273 40.800 0.019 0.000 1.153 120 D HN 0.569 nan 8.370 nan 0.000 0.457 121 A N 2.883 125.720 122.820 0.029 0.000 2.340 121 A HA 0.534 4.853 4.320 -0.002 0.000 0.268 121 A C -0.068 177.533 177.584 0.028 0.000 1.100 121 A CA -0.396 51.660 52.037 0.032 0.000 0.803 121 A CB 0.379 19.399 19.000 0.034 0.000 1.043 121 A HN 0.637 nan 8.150 nan 0.000 0.488 122 I N 1.069 121.658 120.570 0.031 0.000 2.569 122 I HA 0.613 4.782 4.170 -0.002 0.000 0.290 122 I C 0.319 176.454 176.117 0.031 0.000 1.088 122 I CA -0.447 60.870 61.300 0.028 0.000 1.047 122 I CB 1.748 39.763 38.000 0.025 0.000 1.237 122 I HN 0.843 nan 8.210 nan 0.000 0.421 123 A N 8.070 130.905 122.820 0.024 0.000 2.546 123 A HA 0.476 4.795 4.320 -0.002 0.000 0.243 123 A C -0.175 177.424 177.584 0.025 0.000 1.063 123 A CA 0.388 52.437 52.037 0.021 0.000 0.757 123 A CB -0.358 18.651 19.000 0.015 0.000 0.991 123 A HN 0.810 nan 8.150 nan 0.000 0.503 124 I N -1.223 119.362 120.570 0.025 0.000 3.174 124 I HA 0.674 4.843 4.170 -0.002 0.000 0.313 124 I C -0.997 175.121 176.117 0.002 0.000 1.155 124 I CA -1.201 60.116 61.300 0.029 0.000 0.977 124 I CB 1.939 39.978 38.000 0.065 0.000 1.248 124 I HN 0.392 nan 8.210 nan 0.000 0.453 128 Q N 1.334 121.049 119.800 -0.141 0.000 2.305 128 Q HA 0.642 4.980 4.340 -0.002 0.000 0.271 128 Q C -1.870 174.187 176.000 0.096 0.000 1.046 128 Q CA -0.617 55.191 55.803 0.008 0.000 0.798 128 Q CB 2.292 31.038 28.738 0.013 0.000 1.286 128 Q HN 0.771 nan 8.270 nan 0.000 0.435 129 V N 4.812 124.819 119.914 0.155 0.000 2.407 129 V HA 0.247 4.366 4.120 -0.002 0.000 0.278 129 V C -0.188 176.016 176.094 0.183 0.000 1.037 129 V CA -0.612 61.796 62.300 0.181 0.000 0.900 129 V CB 1.229 33.160 31.823 0.180 0.000 0.983 129 V HN 0.990 nan 8.190 nan 0.000 0.459 130 N N 3.822 122.655 118.700 0.221 0.000 2.688 130 N HA -0.198 4.540 4.740 -0.002 0.000 0.258 130 N C 0.523 176.105 175.510 0.122 0.000 1.016 130 N CA 0.717 53.871 53.050 0.174 0.000 0.747 130 N CB -0.888 37.669 38.487 0.116 0.000 0.895 130 N HN 0.828 nan 8.380 nan 0.000 0.543 131 K N -1.308 119.176 120.400 0.140 0.000 2.945 131 K HA -0.287 4.031 4.320 -0.002 0.000 0.248 131 K C 1.045 177.681 176.600 0.061 0.000 0.911 131 K CA 1.765 58.103 56.287 0.085 0.000 0.672 131 K CB -0.603 31.924 32.500 0.047 0.000 1.291 131 K HN 0.699 nan 8.250 nan 0.000 0.483 132 Q N -2.065 117.779 119.800 0.073 0.000 1.749 132 Q HA 0.161 4.499 4.340 -0.002 0.000 0.148 132 Q C -0.192 175.846 176.000 0.062 0.000 0.429 132 Q CA -0.275 55.563 55.803 0.057 0.000 0.698 132 Q CB 0.723 29.495 28.738 0.058 0.000 0.863 132 Q HN 0.168 nan 8.270 nan 0.000 0.272 133 T N 1.549 116.151 114.554 0.080 0.000 2.940 133 T HA 0.148 4.497 4.350 -0.002 0.000 0.309 133 T C -0.178 174.588 174.700 0.110 0.000 1.056 133 T CA 0.189 62.340 62.100 0.086 0.000 1.137 133 T CB 0.216 69.141 68.868 0.094 0.000 0.976 133 T HN 0.292 nan 8.240 nan 0.000 0.547 134 C N 3.173 122.533 119.300 0.100 0.000 2.595 134 C HA 0.935 5.394 4.460 -0.002 0.000 0.338 134 C C -0.616 174.489 174.990 0.192 0.000 1.219 134 C CA -0.905 58.172 59.018 0.097 0.000 1.811 134 C CB 0.587 28.333 27.740 0.010 0.000 2.313 134 C HN 0.927 nan 8.230 nan 0.000 0.499 135 F N -0.295 119.611 119.950 -0.074 0.000 2.641 135 F HA 0.618 5.144 4.527 -0.002 0.000 0.308 135 F C -0.461 175.258 175.800 -0.135 0.000 1.105 135 F CA -0.976 56.963 58.000 -0.101 0.000 0.964 135 F CB 0.674 39.620 39.000 -0.090 0.000 1.294 135 F HN 0.453 nan 8.300 nan 0.000 0.442 136 I N 1.159 121.637 120.570 -0.154 0.000 3.941 136 I HA 0.169 4.338 4.170 -0.002 0.000 0.321 136 I C -0.104 175.832 176.117 -0.303 0.000 1.284 136 I CA 0.281 61.358 61.300 -0.371 0.000 1.226 136 I CB -0.126 37.512 38.000 -0.604 0.000 1.045 136 I HN 0.771 nan 8.210 nan 0.000 0.420 140 T N -0.133 114.420 114.554 -0.001 0.000 2.876 140 T HA 0.864 5.212 4.350 -0.002 0.000 0.289 140 T C 0.064 174.675 174.700 -0.147 0.000 1.014 140 T CA -0.180 61.922 62.100 0.004 0.000 0.986 140 T CB 1.924 70.748 68.868 -0.073 0.000 1.021 140 T HN 1.935 nan 8.240 nan 0.000 0.458 141 G N -0.042 108.483 108.800 -0.458 0.000 2.591 141 G HA2 0.779 4.738 3.960 -0.002 0.000 0.306 141 G HA3 0.779 4.738 3.960 -0.002 0.000 0.306 141 G C -0.544 173.941 174.900 -0.690 0.000 1.334 141 G CA -0.733 43.670 45.100 -1.162 0.000 0.981 141 G HN 1.099 nan 8.290 nan 0.000 0.491 142 G N -0.600 107.788 108.800 -0.686 0.000 2.684 142 G HA2 0.580 4.539 3.960 -0.002 0.000 0.290 142 G HA3 0.580 4.539 3.960 -0.002 0.000 0.290 142 G C -1.682 172.867 174.900 -0.585 0.000 1.425 142 G CA -0.789 44.039 45.100 -0.453 0.000 0.822 142 G HN 0.429 nan 8.290 nan 0.000 0.482 143 F N 1.175 121.068 119.950 -0.095 0.000 2.334 143 F HA 0.628 5.154 4.527 -0.002 0.000 0.367 143 F C 0.970 176.742 175.800 -0.048 0.000 1.115 143 F CA 0.417 58.389 58.000 -0.046 0.000 1.116 143 F CB 1.832 40.831 39.000 -0.002 0.000 1.230 143 F HN 0.725 nan 8.300 nan 0.000 0.484 144 G N 1.321 110.154 108.800 0.054 0.000 3.366 144 G HA2 0.705 4.663 3.960 -0.002 0.000 0.179 144 G HA3 0.705 4.663 3.960 -0.002 0.000 0.179 144 G C -0.626 174.288 174.900 0.022 0.000 1.143 144 G CA -0.186 44.925 45.100 0.019 0.000 0.810 144 G HN 0.457 nan 8.290 nan 0.000 0.697 167 H N 1.782 120.817 119.070 -0.059 0.000 3.191 167 H HA -0.193 4.363 4.556 -0.000 0.000 0.193 167 H C 1.840 177.138 175.328 -0.050 0.000 0.927 167 H CA 2.261 58.280 56.048 -0.049 0.000 1.547 167 H CB -0.990 28.748 29.762 -0.041 0.000 2.200 167 H HN 0.521 nan 8.280 nan 0.000 1.175 168 G N 0.561 109.441 108.800 0.133 0.000 2.509 168 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.218 168 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.218 168 G C 0.860 175.767 174.900 0.012 0.000 1.124 168 G CA 0.188 45.309 45.100 0.036 0.000 0.776 168 G HN 0.133 nan 8.290 nan 0.000 0.547 174 T N 0.807 115.339 114.554 -0.037 0.000 2.749 174 T HA 0.615 4.964 4.350 -0.002 0.000 0.287 174 T C -1.392 173.290 174.700 -0.029 0.000 0.970 174 T CA -0.460 61.619 62.100 -0.035 0.000 0.980 174 T CB 0.571 69.431 68.868 -0.014 0.000 0.924 174 T HN 0.035 nan 8.240 nan 0.000 0.456 175 L N 6.302 127.504 121.223 -0.035 0.000 2.372 175 L HA 0.480 4.819 4.340 -0.002 0.000 0.273 175 L C -0.474 176.404 176.870 0.014 0.000 0.989 175 L CA -0.202 54.629 54.840 -0.014 0.000 0.841 175 L CB 1.599 43.626 42.059 -0.054 0.000 1.225 175 L HN 0.802 nan 8.230 nan 0.000 0.414 176 Q N 4.850 124.686 119.800 0.061 0.000 2.377 176 Q HA 0.722 5.061 4.340 -0.002 0.000 0.271 176 Q C -2.844 173.196 176.000 0.066 0.000 1.077 176 Q CA -2.188 53.642 55.803 0.045 0.000 0.820 176 Q CB 2.334 31.084 28.738 0.019 0.000 1.347 176 Q HN 0.287 nan 8.270 nan 0.000 0.444 177 P HA 0.321 nan 4.420 nan 0.000 0.279 177 P C -1.175 176.019 177.300 -0.177 0.000 1.239 177 P CA 0.170 63.271 63.100 0.002 0.000 0.789 177 P CB 0.921 32.634 31.700 0.022 0.000 0.933 178 D N 0.277 120.427 120.400 -0.416 0.000 2.623 178 D HA 0.250 4.889 4.640 -0.002 0.000 0.241 178 D C -0.856 175.100 176.300 -0.573 0.000 1.241 178 D CA -0.823 52.737 54.000 -0.732 0.000 0.788 178 D CB 1.929 41.928 40.800 -1.335 0.000 1.413 178 D HN 0.088 nan 8.370 nan 0.000 0.429 179 R N 0.628 120.929 120.500 -0.331 0.000 2.538 179 R HA 0.439 4.778 4.340 -0.002 0.000 0.282 179 R C -0.403 175.920 176.300 0.039 0.000 1.009 179 R CA 0.413 56.438 56.100 -0.125 0.000 1.063 179 R CB -0.336 29.891 30.300 -0.121 0.000 0.945 179 R HN 0.552 nan 8.270 nan 0.000 0.414 180 C N 1.034 120.432 119.300 0.163 0.000 3.291 180 C HA 0.692 5.151 4.460 -0.002 0.000 0.316 180 C C -0.889 174.205 174.990 0.174 0.000 1.391 180 C CA -1.111 58.058 59.018 0.252 0.000 1.394 180 C CB 1.552 29.549 27.740 0.428 0.000 1.744 180 C HN 0.930 nan 8.230 nan 0.000 0.461 181 E N 0.183 120.494 120.200 0.186 0.000 2.266 181 E HA 0.839 5.187 4.350 -0.002 0.000 0.268 181 E C -1.640 175.102 176.600 0.237 0.000 0.879 181 E CA -0.591 55.880 56.400 0.119 0.000 0.762 181 E CB 1.627 31.360 29.700 0.055 0.000 1.199 181 E HN 0.701 nan 8.360 nan 0.000 0.422 182 I N 3.605 124.334 120.570 0.265 0.000 2.619 182 I HA 0.528 4.696 4.170 -0.002 0.000 0.292 182 I C -0.732 175.616 176.117 0.385 0.000 1.100 182 I CA -0.733 60.772 61.300 0.342 0.000 1.043 182 I CB 1.958 40.167 38.000 0.349 0.000 1.239 182 I HN 0.507 nan 8.210 nan 0.000 0.420 183 R N 3.692 124.450 120.500 0.430 0.000 2.707 183 R HA 0.905 5.243 4.340 -0.002 0.000 0.272 183 R C -0.698 175.584 176.300 -0.030 0.000 1.011 183 R CA -1.141 55.204 56.100 0.408 0.000 0.893 183 R CB 2.303 32.858 30.300 0.426 0.000 1.233 183 R HN 0.753 nan 8.270 nan 0.000 0.464 184 G N 0.143 108.670 108.800 -0.455 0.000 2.682 184 G HA2 0.257 4.216 3.960 -0.002 0.000 0.303 184 G HA3 0.257 4.216 3.960 -0.002 0.000 0.303 184 G C -1.352 172.993 174.900 -0.924 0.000 1.341 184 G CA -0.956 43.063 45.100 -1.802 0.000 0.784 184 G HN 0.484 nan 8.290 nan 0.000 0.497 185 E N 1.502 121.228 120.200 -0.790 0.000 2.614 185 E HA 0.015 4.364 4.350 -0.002 0.000 0.245 185 E C -0.067 176.538 176.600 0.008 0.000 1.039 185 E CA 0.298 56.662 56.400 -0.059 0.000 0.948 185 E CB 0.015 29.740 29.700 0.041 0.000 0.937 185 E HN 0.419 nan 8.360 nan 0.000 0.498 186 N N 2.145 120.907 118.700 0.102 0.000 2.710 186 N HA -0.275 4.464 4.740 -0.002 0.000 0.249 186 N C -1.025 174.580 175.510 0.158 0.000 1.059 186 N CA 1.189 54.303 53.050 0.107 0.000 0.720 186 N CB -1.306 37.232 38.487 0.084 0.000 0.983 186 N HN 0.334 nan 8.380 nan 0.000 0.544 187 F N 0.330 120.291 119.950 0.018 0.000 2.561 187 F HA 0.494 5.019 4.527 -0.002 0.000 0.313 187 F C -0.356 175.561 175.800 0.194 0.000 1.126 187 F CA -0.866 57.187 58.000 0.089 0.000 0.918 187 F CB 1.582 40.634 39.000 0.087 0.000 1.199 187 F HN 0.135 nan 8.300 nan 0.000 0.444 188 H N 4.531 123.332 119.070 -0.448 0.000 2.954 188 H HA 0.462 5.017 4.556 -0.002 0.000 0.361 188 H C -2.259 172.966 175.328 -0.172 0.000 1.122 188 H CA -0.826 55.163 56.048 -0.099 0.000 1.217 188 H CB 1.378 31.130 29.762 -0.016 0.000 1.776 188 H HN 0.798 nan 8.280 nan 0.000 0.533 189 W N 5.332 126.302 121.300 -0.549 0.000 3.296 189 W HA 0.441 5.100 4.660 -0.002 0.000 0.314 189 W C -2.147 174.200 176.519 -0.288 0.000 1.238 189 W CA -0.487 56.663 57.345 -0.326 0.000 1.193 189 W CB 1.906 31.303 29.460 -0.105 0.000 1.383 189 W HN 0.682 nan 8.180 nan 0.000 0.545 190 Q N 3.789 122.971 119.800 -1.030 0.000 2.285 190 Q HA 0.646 4.985 4.340 -0.002 0.000 0.269 190 Q C -0.564 174.507 176.000 -1.548 0.000 1.030 190 Q CA -0.391 54.791 55.803 -1.036 0.000 0.788 190 Q CB 2.117 30.577 28.738 -0.463 0.000 1.266 190 Q HN 0.883 nan 8.270 nan 0.000 0.438 191 G N 2.315 110.284 108.800 -1.385 0.000 2.340 191 G HA2 0.224 4.183 3.960 -0.002 0.000 0.299 191 G HA3 0.224 4.183 3.960 -0.002 0.000 0.299 191 G C -1.724 173.062 174.900 -0.190 0.000 1.291 191 G CA -0.722 43.934 45.100 -0.741 0.000 0.841 191 G HN 0.554 nan 8.290 nan 0.000 0.500 192 D N 0.282 120.692 120.400 0.017 0.000 2.312 192 D HA 0.682 5.321 4.640 -0.002 0.000 0.248 192 D C 0.341 176.835 176.300 0.322 0.000 1.086 192 D CA 0.590 54.652 54.000 0.103 0.000 0.948 192 D CB 1.766 42.569 40.800 0.006 0.000 1.162 192 D HN 0.864 nan 8.370 nan 0.000 0.446 193 A N 0.637 123.630 122.820 0.289 0.000 2.574 193 A HA 0.437 4.756 4.320 -0.002 0.000 0.297 193 A C -0.337 177.404 177.584 0.262 0.000 1.062 193 A CA -0.521 51.700 52.037 0.307 0.000 0.686 193 A CB 1.175 20.388 19.000 0.355 0.000 1.285 193 A HN 0.424 nan 8.150 nan 0.000 0.403 194 L N 1.424 122.766 121.223 0.198 0.000 2.349 194 L HA 0.435 4.774 4.340 -0.002 0.000 0.200 194 L C -0.077 176.857 176.870 0.108 0.000 1.064 194 L CA 1.277 56.212 54.840 0.158 0.000 0.821 194 L CB 0.666 42.785 42.059 0.100 0.000 1.027 194 L HN 0.563 nan 8.230 nan 0.000 0.476 195 V N 0.214 120.199 119.914 0.118 0.000 2.841 195 V HA 0.404 4.523 4.120 -0.002 0.000 0.310 195 V C -0.803 175.358 176.094 0.113 0.000 1.090 195 V CA -0.698 61.632 62.300 0.050 0.000 0.930 195 V CB 2.264 34.075 31.823 -0.020 0.000 1.014 195 V HN -0.087 nan 8.190 nan 0.000 0.425 196 I N 2.900 123.454 120.570 -0.027 0.000 2.418 196 I HA 0.670 4.838 4.170 -0.002 0.000 0.287 196 I C 0.517 176.657 176.117 0.037 0.000 1.008 196 I CA -0.224 61.060 61.300 -0.026 0.000 1.104 196 I CB 1.943 39.906 38.000 -0.061 0.000 1.264 196 I HN 0.746 nan 8.210 nan 0.000 0.438 197 G N 7.223 116.051 108.800 0.047 0.000 2.422 197 G HA2 0.745 4.704 3.960 -0.002 0.000 0.317 197 G HA3 0.745 4.704 3.960 -0.002 0.000 0.317 197 G C -0.809 174.067 174.900 -0.039 0.000 1.210 197 G CA -0.339 44.792 45.100 0.052 0.000 0.930 197 G HN 0.488 nan 8.290 nan 0.000 0.468 198 I N 2.561 123.117 120.570 -0.023 0.000 2.382 198 I HA 0.433 4.601 4.170 -0.002 0.000 0.285 198 I C 0.653 176.845 176.117 0.124 0.000 1.007 198 I CA -0.558 60.719 61.300 -0.038 0.000 1.142 198 I CB 2.095 40.048 38.000 -0.079 0.000 1.289 198 I HN 0.505 nan 8.210 nan 0.000 0.453 199 G N 2.939 111.804 108.800 0.108 0.000 2.379 199 G HA2 0.178 4.137 3.960 -0.002 0.000 0.327 199 G HA3 0.178 4.137 3.960 -0.002 0.000 0.327 199 G C 0.164 175.139 174.900 0.125 0.000 1.145 199 G CA -0.373 44.829 45.100 0.169 0.000 0.905 199 G HN 0.541 nan 8.290 nan 0.000 0.466 200 N N 0.931 119.702 118.700 0.118 0.000 2.336 200 N HA 0.100 4.839 4.740 -0.002 0.000 0.177 200 N C 1.356 176.935 175.510 0.116 0.000 1.018 200 N CA 1.129 54.199 53.050 0.032 0.000 0.878 200 N CB 0.211 38.646 38.487 -0.087 0.000 0.997 200 N HN 0.617 nan 8.380 nan 0.000 0.433 201 G N -1.125 107.783 108.800 0.180 0.000 2.795 201 G HA2 0.348 4.307 3.960 -0.002 0.000 0.267 201 G HA3 0.348 4.307 3.960 -0.002 0.000 0.267 201 G C 0.491 175.464 174.900 0.122 0.000 1.362 201 G CA -0.358 44.858 45.100 0.193 0.000 1.048 201 G HN 0.093 nan 8.290 nan 0.000 0.547 202 R N -1.165 119.388 120.500 0.089 0.000 2.123 202 R HA 0.156 4.494 4.340 -0.002 0.000 0.209 202 R C 0.753 177.089 176.300 0.060 0.000 1.078 202 R CA 0.598 56.732 56.100 0.056 0.000 1.028 202 R CB 0.151 30.467 30.300 0.026 0.000 0.939 202 R HN 0.668 nan 8.270 nan 0.000 0.463 203 Q N -0.013 119.826 119.800 0.065 0.000 2.337 203 Q HA 0.660 4.998 4.340 -0.002 0.000 0.270 203 Q C -1.556 174.481 176.000 0.063 0.000 1.043 203 Q CA -0.816 55.017 55.803 0.050 0.000 0.794 203 Q CB 2.351 31.107 28.738 0.030 0.000 1.281 203 Q HN 0.015 nan 8.270 nan 0.000 0.446 204 A N 2.039 124.883 122.820 0.040 0.000 2.269 204 A HA 0.776 5.095 4.320 -0.002 0.000 0.319 204 A C 0.532 178.127 177.584 0.018 0.000 1.110 204 A CA -0.188 51.867 52.037 0.031 0.000 0.847 204 A CB 0.407 19.410 19.000 0.006 0.000 1.161 204 A HN 1.050 nan 8.150 nan 0.000 0.497 205 G N -0.777 108.032 108.800 0.015 0.000 2.635 205 G HA2 0.383 4.341 3.960 -0.002 0.000 0.264 205 G HA3 0.383 4.341 3.960 -0.002 0.000 0.264 205 G C 1.301 176.199 174.900 -0.002 0.000 0.583 205 G CA 1.000 46.103 45.100 0.006 0.000 1.071 205 G HN 2.462 nan 8.290 nan 0.000 0.270 206 G N 1.749 110.549 108.800 0.001 0.000 4.677 206 G HA2 0.276 4.235 3.960 -0.002 0.000 0.215 206 G HA3 0.276 4.235 3.960 -0.002 0.000 0.215 206 G C 1.462 176.362 174.900 -0.000 0.000 1.506 206 G CA 1.098 46.196 45.100 -0.003 0.000 1.016 206 G HN 2.945 nan 8.290 nan 0.000 0.653 207 G N -0.705 108.095 108.800 -0.000 0.000 2.441 207 G HA2 0.433 4.391 3.960 -0.002 0.000 0.139 207 G HA3 0.433 4.391 3.960 -0.002 0.000 0.139 207 G C -0.277 174.623 174.900 -0.000 0.000 1.067 207 G CA 0.998 46.101 45.100 0.004 0.000 0.766 207 G HN 1.637 nan 8.290 nan 0.000 0.484 208 Q N 0.475 120.273 119.800 -0.004 0.000 2.333 208 Q HA 0.519 4.857 4.340 -0.002 0.000 0.267 208 Q C -0.331 175.674 176.000 0.008 0.000 1.012 208 Q CA -1.052 54.749 55.803 -0.004 0.000 0.824 208 Q CB 1.693 30.420 28.738 -0.018 0.000 1.290 208 Q HN 0.241 nan 8.270 nan 0.000 0.449 209 Q N 2.931 122.742 119.800 0.018 0.000 2.388 209 Q HA -0.041 4.298 4.340 -0.002 0.000 0.302 209 Q C 0.452 176.486 176.000 0.056 0.000 1.149 209 Q CA 0.388 56.211 55.803 0.033 0.000 1.014 209 Q CB 0.025 28.781 28.738 0.030 0.000 1.072 209 Q HN 0.640 nan 8.270 nan 0.000 0.395 210 L N 1.580 122.844 121.223 0.070 0.000 2.168 210 L HA 0.002 4.341 4.340 -0.002 0.000 0.203 210 L C 0.699 177.635 176.870 0.109 0.000 1.078 210 L CA 1.019 55.938 54.840 0.131 0.000 0.780 210 L CB 0.391 42.526 42.059 0.126 0.000 0.939 210 L HN 0.610 nan 8.230 nan 0.000 0.451 211 C N 0.683 120.020 119.300 0.062 0.000 2.787 211 C HA 0.325 4.784 4.460 -0.002 0.000 0.265 211 C C -1.221 173.784 174.990 0.026 0.000 1.190 211 C CA -1.268 57.768 59.018 0.030 0.000 1.616 211 C CB -0.116 27.639 27.740 0.024 0.000 1.732 211 C HN 0.228 nan 8.230 nan 0.000 0.433 212 P HA -0.127 nan 4.420 nan 0.000 0.228 212 P C 0.627 177.933 177.300 0.010 0.000 1.151 212 P CA 1.413 64.524 63.100 0.018 0.000 0.770 212 P CB 0.005 31.715 31.700 0.016 0.000 0.786 213 N N -1.447 117.258 118.700 0.007 0.000 2.204 213 N HA 0.270 5.008 4.740 -0.002 0.000 0.219 213 N C 0.361 175.876 175.510 0.008 0.000 1.151 213 N CA -0.478 52.575 53.050 0.005 0.000 0.867 213 N CB 0.264 38.751 38.487 0.001 0.000 1.043 213 N HN -0.129 nan 8.380 nan 0.000 0.516 214 A N 1.379 124.208 122.820 0.016 0.000 2.555 214 A HA 0.287 4.606 4.320 -0.002 0.000 0.233 214 A C -0.141 177.456 177.584 0.022 0.000 1.060 214 A CA 0.309 52.360 52.037 0.024 0.000 0.759 214 A CB 0.120 19.146 19.000 0.043 0.000 0.995 214 A HN 0.404 nan 8.150 nan 0.000 0.506 215 L N 1.768 123.005 121.223 0.023 0.000 2.388 215 L HA 0.424 4.763 4.340 -0.002 0.000 0.264 215 L C 0.887 177.776 176.870 0.033 0.000 0.998 215 L CA -0.620 54.233 54.840 0.023 0.000 0.817 215 L CB 2.071 44.138 42.059 0.013 0.000 1.338 215 L HN 0.815 nan 8.230 nan 0.000 0.414 216 I N -0.971 119.628 120.570 0.048 0.000 3.735 216 I HA 0.125 4.294 4.170 -0.002 0.000 0.310 216 I C 0.597 176.736 176.117 0.036 0.000 1.270 216 I CA 0.301 61.638 61.300 0.062 0.000 1.207 216 I CB -0.327 37.753 38.000 0.133 0.000 1.013 216 I HN 0.713 nan 8.210 nan 0.000 0.452 217 N N 0.658 119.372 118.700 0.024 0.000 2.451 217 N HA -0.000 4.738 4.740 -0.002 0.000 0.271 217 N C 0.036 175.552 175.510 0.009 0.000 1.410 217 N CA -0.182 52.877 53.050 0.015 0.000 0.884 217 N CB -0.308 38.189 38.487 0.017 0.000 1.332 217 N HN 0.431 nan 8.380 nan 0.000 0.498 218 D N -1.442 118.962 120.400 0.007 0.000 2.398 218 D HA 0.201 4.840 4.640 -0.002 0.000 0.210 218 D C 1.233 177.533 176.300 0.001 0.000 1.094 218 D CA 0.303 54.305 54.000 0.004 0.000 0.839 218 D CB -0.344 40.459 40.800 0.005 0.000 0.963 218 D HN 0.242 nan 8.370 nan 0.000 0.506 219 G N 0.505 109.303 108.800 -0.003 0.000 2.168 219 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.257 219 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.257 219 G C -0.114 174.779 174.900 -0.012 0.000 0.997 219 G CA 0.629 45.725 45.100 -0.006 0.000 0.708 219 G HN 0.428 nan 8.290 nan 0.000 0.520 220 L N -0.283 120.931 121.223 -0.015 0.000 2.346 220 L HA 0.673 5.012 4.340 -0.002 0.000 0.276 220 L C 0.677 177.542 176.870 -0.008 0.000 1.006 220 L CA -1.227 53.599 54.840 -0.024 0.000 0.817 220 L CB 1.707 43.754 42.059 -0.021 0.000 1.272 220 L HN -0.031 nan 8.230 nan 0.000 0.421 221 L N 2.564 123.792 121.223 0.008 0.000 2.395 221 L HA 0.291 4.630 4.340 -0.002 0.000 0.269 221 L C 0.091 177.033 176.870 0.120 0.000 1.133 221 L CA -0.530 54.357 54.840 0.078 0.000 0.812 221 L CB 0.534 42.693 42.059 0.167 0.000 1.125 221 L HN 0.499 nan 8.230 nan 0.000 0.452 222 Q N 2.798 122.637 119.800 0.065 0.000 2.256 222 Q HA 0.459 4.797 4.340 -0.002 0.000 0.254 222 Q C -0.906 175.033 176.000 -0.102 0.000 0.916 222 Q CA -0.602 55.204 55.803 0.005 0.000 0.932 222 Q CB 2.219 30.951 28.738 -0.009 0.000 1.207 222 Q HN 0.347 nan 8.270 nan 0.000 0.426 223 L N 2.808 123.871 121.223 -0.268 0.000 2.322 223 L HA 0.534 4.873 4.340 -0.002 0.000 0.281 223 L C -1.072 175.544 176.870 -0.424 0.000 1.014 223 L CA -0.285 54.234 54.840 -0.535 0.000 0.815 223 L CB 1.426 42.791 42.059 -1.157 0.000 1.247 223 L HN 0.420 nan 8.230 nan 0.000 0.421 224 R N 4.789 125.066 120.500 -0.373 0.000 2.451 224 R HA 0.625 4.964 4.340 -0.002 0.000 0.307 224 R C -1.284 174.684 176.300 -0.552 0.000 0.965 224 R CA -0.250 55.570 56.100 -0.466 0.000 0.865 224 R CB 1.397 31.444 30.300 -0.422 0.000 1.174 224 R HN 0.639 nan 8.270 nan 0.000 0.455 225 I N 4.332 124.515 120.570 -0.646 0.000 2.321 225 I HA 0.306 4.474 4.170 -0.002 0.000 0.291 225 I C -0.582 175.170 176.117 -0.610 0.000 0.998 225 I CA -0.433 60.517 61.300 -0.585 0.000 1.227 225 I CB 0.854 38.363 38.000 -0.818 0.000 1.368 225 I HN 0.427 nan 8.210 nan 0.000 0.466 226 F N 4.500 124.344 119.950 -0.176 0.000 2.375 226 F HA 0.281 4.807 4.527 -0.001 0.000 0.362 226 F C 0.964 176.736 175.800 -0.047 0.000 1.129 226 F CA -0.285 57.655 58.000 -0.100 0.000 1.154 226 F CB 0.793 39.748 39.000 -0.075 0.000 1.205 226 F HN 0.339 nan 8.300 nan 0.000 0.513 227 T N 2.346 116.960 114.554 0.100 0.000 2.909 227 T HA 0.550 4.899 4.350 -0.002 0.000 0.289 227 T C 0.740 175.515 174.700 0.125 0.000 1.005 227 T CA 0.615 62.794 62.100 0.131 0.000 1.084 227 T CB 1.295 70.243 68.868 0.132 0.000 0.975 227 T HN 0.979 nan 8.240 nan 0.000 0.509 228 G N 3.811 112.678 108.800 0.112 0.000 2.650 228 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.264 228 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.264 228 G C -0.778 174.158 174.900 0.060 0.000 1.263 228 G CA 0.231 45.377 45.100 0.077 0.000 0.960 228 G HN 0.719 nan 8.290 nan 0.000 0.548 246 P HA 0.010 nan 4.420 nan 0.000 0.225 246 P C 0.480 177.791 177.300 0.019 0.000 1.156 246 P CA 0.716 63.828 63.100 0.019 0.000 0.787 246 P CB 0.304 32.023 31.700 0.032 0.000 0.802 247 N N -0.054 118.655 118.700 0.014 0.000 2.512 247 N HA 0.057 4.795 4.740 -0.002 0.000 0.183 247 N C 0.486 175.965 175.510 -0.050 0.000 1.073 247 N CA 0.583 53.645 53.050 0.020 0.000 0.911 247 N CB -0.095 38.423 38.487 0.052 0.000 0.964 247 N HN 0.308 nan 8.380 nan 0.000 0.447 248 I N 0.436 120.928 120.570 -0.129 0.000 2.533 248 I HA 0.319 4.488 4.170 -0.002 0.000 0.290 248 I C -0.952 175.004 176.117 -0.269 0.000 1.056 248 I CA -0.793 60.315 61.300 -0.320 0.000 1.057 248 I CB 2.095 39.868 38.000 -0.379 0.000 1.240 248 I HN -0.283 nan 8.210 nan 0.000 0.423 249 I N 5.531 125.885 120.570 -0.360 0.000 2.493 249 I HA 0.429 4.598 4.170 -0.002 0.000 0.298 249 I C -0.198 175.762 176.117 -0.263 0.000 0.998 249 I CA -0.195 60.949 61.300 -0.259 0.000 1.137 249 I CB 1.552 39.327 38.000 -0.376 0.000 1.310 249 I HN 0.502 nan 8.210 nan 0.000 0.445 250 E N 2.718 122.856 120.200 -0.103 0.000 2.343 250 E HA 0.844 5.193 4.350 -0.002 0.000 0.270 250 E C -0.657 175.917 176.600 -0.043 0.000 0.895 250 E CA -1.090 55.228 56.400 -0.136 0.000 0.767 250 E CB 2.722 32.360 29.700 -0.103 0.000 1.248 250 E HN 0.790 nan 8.360 nan 0.000 0.440 251 G N -0.185 108.509 108.800 -0.178 0.000 2.523 251 G HA2 0.620 4.579 3.960 -0.002 0.000 0.291 251 G HA3 0.620 4.579 3.960 -0.002 0.000 0.291 251 G C -1.909 172.963 174.900 -0.046 0.000 1.450 251 G CA -0.254 44.762 45.100 -0.140 0.000 0.790 251 G HN 0.543 nan 8.290 nan 0.000 0.496 252 A N -0.368 122.481 122.820 0.050 0.000 2.466 252 A HA 0.924 5.243 4.320 -0.002 0.000 0.284 252 A C -0.541 176.975 177.584 -0.114 0.000 1.049 252 A CA 0.191 52.244 52.037 0.027 0.000 0.760 252 A CB 1.456 20.458 19.000 0.002 0.000 1.274 252 A HN 2.095 nan 8.150 nan 0.000 0.412 253 S N 0.789 116.337 115.700 -0.254 0.000 2.543 253 S HA 0.501 4.969 4.470 -0.002 0.000 0.274 253 S C 0.886 175.239 174.600 -0.411 0.000 1.149 253 S CA 0.416 58.285 58.200 -0.551 0.000 0.866 253 S CB 1.374 63.766 63.200 -1.348 0.000 1.111 253 S HN 1.941 nan 8.310 nan 0.000 0.457 254 S N 2.498 118.066 115.700 -0.221 0.000 2.555 254 S HA 0.145 4.614 4.470 -0.002 0.000 0.230 254 S C 0.467 175.088 174.600 0.035 0.000 0.978 254 S CA 0.228 58.409 58.200 -0.032 0.000 0.934 254 S CB -0.518 62.738 63.200 0.092 0.000 0.766 254 S HN 0.836 nan 8.310 nan 0.000 0.533 255 W N -1.703 119.382 121.300 -0.358 0.000 3.296 255 W HA 0.692 5.351 4.660 -0.002 0.000 0.314 255 W C -2.468 173.725 176.519 -0.544 0.000 1.238 255 W CA -2.061 55.081 57.345 -0.340 0.000 1.193 255 W CB 0.058 29.398 29.460 -0.200 0.000 1.383 255 W HN -0.090 nan 8.180 nan 0.000 0.545 256 F N 2.013 121.938 119.950 -0.043 0.000 2.561 256 F HA 0.298 4.823 4.527 -0.002 0.000 0.313 256 F C -0.127 175.772 175.800 0.165 0.000 1.126 256 F CA -0.459 57.477 58.000 -0.106 0.000 0.918 256 F CB 1.800 40.696 39.000 -0.174 0.000 1.199 256 F HN 0.040 nan 8.300 nan 0.000 0.444 257 D N 3.563 124.282 120.400 0.533 0.000 2.177 257 D HA 0.591 5.229 4.640 -0.002 0.000 0.247 257 D C -0.533 176.008 176.300 0.402 0.000 1.063 257 D CA 0.056 54.355 54.000 0.499 0.000 0.867 257 D CB 2.004 43.137 40.800 0.556 0.000 1.168 257 D HN 0.266 nan 8.370 nan 0.000 0.445 258 I N 1.753 122.554 120.570 0.386 0.000 2.466 258 I HA 0.231 4.400 4.170 -0.002 0.000 0.289 258 I C -0.343 175.992 176.117 0.363 0.000 1.026 258 I CA -0.668 60.861 61.300 0.381 0.000 1.078 258 I CB 1.697 39.961 38.000 0.439 0.000 1.249 258 I HN 0.181 nan 8.210 nan 0.000 0.429 259 Q N 5.361 125.339 119.800 0.297 0.000 2.397 259 Q HA 0.964 5.303 4.340 -0.002 0.000 0.275 259 Q C -1.480 174.662 176.000 0.237 0.000 1.090 259 Q CA -1.181 54.766 55.803 0.241 0.000 0.809 259 Q CB 3.041 31.880 28.738 0.169 0.000 1.362 259 Q HN 0.678 nan 8.270 nan 0.000 0.431 260 A N 1.627 124.580 122.820 0.221 0.000 2.520 260 A HA 0.639 4.958 4.320 -0.002 0.000 0.298 260 A C -2.534 175.117 177.584 0.113 0.000 1.051 260 A CA -1.505 50.666 52.037 0.222 0.000 0.690 260 A CB 1.541 20.804 19.000 0.439 0.000 1.281 260 A HN 0.611 nan 8.150 nan 0.000 0.402 261 P HA -0.005 nan 4.420 nan 0.000 0.221 261 P C -0.018 177.171 177.300 -0.186 0.000 1.150 261 P CA 1.314 64.310 63.100 -0.172 0.000 0.800 261 P CB -0.019 31.456 31.700 -0.376 0.000 0.787 262 H N -1.593 117.577 119.070 0.166 0.000 2.651 262 H HA 0.305 4.859 4.556 -0.002 0.000 0.353 262 H C -0.090 175.417 175.328 0.298 0.000 1.178 262 H CA -1.256 54.910 56.048 0.196 0.000 1.224 262 H CB 0.442 30.305 29.762 0.168 0.000 1.702 262 H HN -0.213 nan 8.280 nan 0.000 0.550 263 D N 1.119 121.735 120.400 0.360 0.000 2.488 263 D HA 0.061 4.699 4.640 -0.002 0.000 0.238 263 D C 0.012 176.419 176.300 0.178 0.000 1.138 263 D CA 0.474 54.623 54.000 0.249 0.000 0.873 263 D CB 0.519 41.423 40.800 0.173 0.000 1.183 263 D HN 0.264 nan 8.370 nan 0.000 0.458 264 I N 1.253 121.876 120.570 0.089 0.000 2.437 264 I HA 0.187 4.355 4.170 -0.002 0.000 0.298 264 I C 0.344 176.326 176.117 -0.226 0.000 0.984 264 I CA -0.532 60.561 61.300 -0.345 0.000 1.214 264 I CB 1.519 39.248 38.000 -0.452 0.000 1.365 264 I HN 0.084 nan 8.210 nan 0.000 0.469 265 T N 5.470 119.770 114.554 -0.424 0.000 2.853 265 T HA 0.413 4.762 4.350 -0.002 0.000 0.317 265 T C -0.430 173.997 174.700 -0.456 0.000 1.059 265 T CA -0.307 61.623 62.100 -0.283 0.000 0.954 265 T CB -0.101 68.662 68.868 -0.175 0.000 0.994 265 T HN 0.098 nan 8.240 nan 0.000 0.479 266 F N 3.160 122.909 119.950 -0.334 0.000 2.410 266 F HA 0.354 4.880 4.527 -0.003 0.000 0.348 266 F C 0.894 176.531 175.800 -0.272 0.000 1.106 266 F CA -1.249 56.515 58.000 -0.395 0.000 1.163 266 F CB 0.875 39.511 39.000 -0.606 0.000 1.129 266 F HN 0.446 nan 8.300 nan 0.000 0.516 267 N N 4.743 123.412 118.700 -0.051 0.000 2.439 267 N HA 0.362 5.100 4.740 -0.002 0.000 0.249 267 N C -1.548 173.866 175.510 -0.160 0.000 1.003 267 N CA -0.336 52.663 53.050 -0.086 0.000 0.942 267 N CB 0.452 38.886 38.487 -0.089 0.000 1.115 267 N HN 0.549 nan 8.380 nan 0.000 0.505 268 L N 3.076 124.181 121.223 -0.196 0.000 2.321 268 L HA 0.339 4.678 4.340 -0.002 0.000 0.272 268 L C -0.318 176.447 176.870 -0.176 0.000 1.050 268 L CA -0.751 53.871 54.840 -0.363 0.000 0.893 268 L CB 0.465 42.327 42.059 -0.327 0.000 1.272 268 L HN 0.609 nan 8.230 nan 0.000 0.435 269 D N 3.557 123.870 120.400 -0.145 0.000 2.803 269 D HA -0.194 4.444 4.640 -0.002 0.000 0.233 269 D C 1.266 177.550 176.300 -0.026 0.000 1.182 269 D CA 1.422 55.403 54.000 -0.032 0.000 0.726 269 D CB -0.464 40.355 40.800 0.032 0.000 0.987 269 D HN 1.021 nan 8.370 nan 0.000 0.412 270 G N 0.188 108.965 108.800 -0.039 0.000 3.078 270 G HA2 -0.422 3.537 3.960 -0.002 0.000 0.227 270 G HA3 -0.422 3.537 3.960 -0.002 0.000 0.227 270 G C 0.359 175.239 174.900 -0.033 0.000 1.306 270 G CA 0.573 45.655 45.100 -0.030 0.000 0.841 270 G HN 0.532 nan 8.290 nan 0.000 0.530 271 E N 3.883 124.065 120.200 -0.029 0.000 2.585 271 E HA 0.346 4.694 4.350 -0.002 0.000 0.252 271 E C -1.593 174.993 176.600 -0.025 0.000 0.981 271 E CA -0.698 55.690 56.400 -0.021 0.000 0.943 271 E CB 0.678 30.373 29.700 -0.007 0.000 0.923 271 E HN 0.448 nan 8.360 nan 0.000 0.486 272 P HA 0.190 nan 4.420 nan 0.000 0.278 272 P C -1.159 176.165 177.300 0.039 0.000 1.238 272 P CA -0.562 62.538 63.100 0.001 0.000 0.794 272 P CB 1.022 32.722 31.700 -0.001 0.000 0.955 273 L N 1.760 123.028 121.223 0.075 0.000 2.505 273 L HA 0.442 4.780 4.340 -0.002 0.000 0.266 273 L C -0.754 176.266 176.870 0.249 0.000 0.954 273 L CA -0.136 54.806 54.840 0.171 0.000 0.852 273 L CB 2.061 44.250 42.059 0.216 0.000 1.282 273 L HN 0.297 nan 8.230 nan 0.000 0.403 274 S N 1.605 117.464 115.700 0.265 0.000 2.568 274 S HA 1.032 5.501 4.470 -0.002 0.000 0.302 274 S C -0.321 174.480 174.600 0.335 0.000 1.082 274 S CA -0.008 58.370 58.200 0.296 0.000 1.009 274 S CB 1.923 65.207 63.200 0.141 0.000 1.069 274 S HN 1.131 nan 8.310 nan 0.000 0.500 275 G N 0.712 109.723 108.800 0.352 0.000 2.320 275 G HA2 0.247 4.206 3.960 -0.002 0.000 0.297 275 G HA3 0.247 4.206 3.960 -0.002 0.000 0.297 275 G C -1.077 173.872 174.900 0.081 0.000 1.344 275 G CA -0.633 44.495 45.100 0.048 0.000 0.851 275 G HN 0.535 nan 8.290 nan 0.000 0.567 276 Q N -0.742 119.032 119.800 -0.044 0.000 2.282 276 Q HA 0.246 4.585 4.340 -0.002 0.000 0.206 276 Q C -0.154 175.830 176.000 -0.027 0.000 0.878 276 Q CA 0.282 56.115 55.803 0.050 0.000 0.944 276 Q CB 0.568 29.342 28.738 0.059 0.000 1.100 276 Q HN 0.364 nan 8.270 nan 0.000 0.509 277 N N 0.227 118.729 118.700 -0.330 0.000 2.480 277 N HA 0.353 5.091 4.740 -0.002 0.000 0.289 277 N C -1.790 173.394 175.510 -0.544 0.000 1.073 277 N CA -0.286 52.624 53.050 -0.233 0.000 0.885 277 N CB 1.072 39.498 38.487 -0.103 0.000 1.421 277 N HN -0.068 nan 8.380 nan 0.000 0.503 278 F N 0.661 120.717 119.950 0.178 0.000 2.493 278 F HA 0.311 4.837 4.527 -0.002 0.000 0.329 278 F C 0.141 176.065 175.800 0.207 0.000 1.126 278 F CA -0.879 57.213 58.000 0.153 0.000 0.937 278 F CB 1.374 40.423 39.000 0.082 0.000 1.146 278 F HN 0.442 nan 8.300 nan 0.000 0.442 279 H N 3.909 123.131 119.070 0.254 0.000 2.623 279 H HA 0.618 5.173 4.556 -0.002 0.000 0.299 279 H C -1.114 174.348 175.328 0.224 0.000 1.052 279 H CA -0.404 55.789 56.048 0.241 0.000 1.231 279 H CB 0.596 30.457 29.762 0.164 0.000 1.389 279 H HN 0.601 nan 8.280 nan 0.000 0.469 280 I N 4.792 125.303 120.570 -0.099 0.000 2.321 280 I HA 0.239 4.408 4.170 -0.002 0.000 0.291 280 I C -0.112 175.914 176.117 -0.153 0.000 0.998 280 I CA -0.236 61.033 61.300 -0.052 0.000 1.227 280 I CB 1.263 39.295 38.000 0.053 0.000 1.368 280 I HN 0.626 nan 8.210 nan 0.000 0.466 281 E N 6.260 126.396 120.200 -0.106 0.000 2.248 281 E HA 0.496 4.844 4.350 -0.002 0.000 0.267 281 E C -1.026 175.553 176.600 -0.035 0.000 0.877 281 E CA -0.893 55.477 56.400 -0.051 0.000 0.759 281 E CB 2.398 32.123 29.700 0.040 0.000 1.182 281 E HN 0.477 nan 8.360 nan 0.000 0.418 282 I N 4.159 124.715 120.570 -0.023 0.000 2.529 282 I HA 0.052 4.221 4.170 -0.002 0.000 0.284 282 I C -0.227 175.870 176.117 -0.033 0.000 1.082 282 I CA -0.068 61.200 61.300 -0.054 0.000 1.406 282 I CB 0.525 38.495 38.000 -0.050 0.000 1.405 282 I HN 0.409 nan 8.210 nan 0.000 0.548 283 L N 9.419 130.608 121.223 -0.057 0.000 2.287 283 L HA 0.360 4.698 4.340 -0.002 0.000 0.280 283 L C -2.151 174.698 176.870 -0.034 0.000 1.055 283 L CA -1.830 52.988 54.840 -0.036 0.000 0.863 283 L CB 0.367 42.401 42.059 -0.043 0.000 1.245 283 L HN 0.330 nan 8.230 nan 0.000 0.432 284 P HA 0.110 nan 4.420 nan 0.000 0.276 284 P C 0.296 177.589 177.300 -0.011 0.000 1.235 284 P CA 0.101 63.192 63.100 -0.014 0.000 0.772 284 P CB 1.574 33.272 31.700 -0.004 0.000 0.871 285 A N 2.679 125.493 122.820 -0.010 0.000 2.791 285 A HA -0.133 4.186 4.320 -0.002 0.000 0.292 285 A C 1.488 179.069 177.584 -0.005 0.000 1.487 285 A CA 0.819 52.854 52.037 -0.003 0.000 0.760 285 A CB -2.202 16.799 19.000 0.002 0.000 1.031 285 A HN 0.658 nan 8.150 nan 0.000 0.503 286 A N -0.876 121.935 122.820 -0.014 0.000 2.016 286 A HA 0.471 4.790 4.320 -0.002 0.000 0.217 286 A C 1.102 178.679 177.584 -0.010 0.000 1.162 286 A CA 1.540 53.568 52.037 -0.016 0.000 0.662 286 A CB -0.219 18.764 19.000 -0.030 0.000 0.812 286 A HN 2.050 nan 8.150 nan 0.000 0.450 287 L N -4.356 116.863 121.223 -0.007 0.000 2.403 287 L HA 0.759 5.098 4.340 -0.002 0.000 0.253 287 L C -1.169 175.710 176.870 0.015 0.000 1.045 287 L CA -1.369 53.473 54.840 0.003 0.000 0.845 287 L CB 1.751 43.810 42.059 -0.000 0.000 1.447 287 L HN -0.032 nan 8.230 nan 0.000 0.411 288 R N 0.514 121.028 120.500 0.023 0.000 2.445 288 R HA 0.657 4.996 4.340 -0.002 0.000 0.308 288 R C -1.341 174.983 176.300 0.041 0.000 0.961 288 R CA -0.513 55.605 56.100 0.031 0.000 0.862 288 R CB 1.788 32.105 30.300 0.028 0.000 1.144 288 R HN 0.708 nan 8.270 nan 0.000 0.447 289 C N 2.845 122.176 119.300 0.051 0.000 2.455 289 C HA 0.436 4.895 4.460 -0.002 0.000 0.320 289 C C -0.102 174.922 174.990 0.057 0.000 1.226 289 C CA -0.828 58.231 59.018 0.067 0.000 1.569 289 C CB 1.061 28.861 27.740 0.100 0.000 2.200 289 C HN 0.823 nan 8.230 nan 0.000 0.491 290 R N 4.919 125.452 120.500 0.056 0.000 2.288 290 R HA 0.509 4.847 4.340 -0.002 0.000 0.330 290 R C -0.925 175.400 176.300 0.042 0.000 1.069 290 R CA 0.146 56.273 56.100 0.045 0.000 0.941 290 R CB 0.288 30.613 30.300 0.042 0.000 0.998 290 R HN 0.615 nan 8.270 nan 0.000 0.452 291 L N 4.822 126.064 121.223 0.030 0.000 2.354 291 L HA 0.541 4.880 4.340 -0.002 0.000 0.264 291 L C -2.116 174.757 176.870 0.004 0.000 1.008 291 L CA -2.536 52.313 54.840 0.015 0.000 0.819 291 L CB 2.499 44.566 42.059 0.014 0.000 1.339 291 L HN 0.354 nan 8.230 nan 0.000 0.420 292 P HA 0.179 nan 4.420 nan 0.000 0.274 292 P C -2.244 175.051 177.300 -0.008 0.000 1.237 292 P CA -1.357 61.739 63.100 -0.008 0.000 0.793 292 P CB 0.101 31.791 31.700 -0.017 0.000 0.977 293 P HA -0.188 nan 4.420 nan 0.000 0.216 293 P C 0.685 177.981 177.300 -0.006 0.000 1.153 293 P CA 1.604 64.703 63.100 -0.002 0.000 0.858 293 P CB 0.044 31.744 31.700 -0.001 0.000 0.789 294 D N -0.955 119.438 120.400 -0.011 0.000 2.319 294 D HA -0.004 4.635 4.640 -0.002 0.000 0.230 294 D C 0.193 176.481 176.300 -0.018 0.000 1.094 294 D CA -0.077 53.915 54.000 -0.013 0.000 0.856 294 D CB -0.557 40.236 40.800 -0.012 0.000 0.915 294 D HN 0.080 nan 8.370 nan 0.000 0.517 295 C N 2.394 121.680 119.300 -0.023 0.000 1.986 295 C HA -0.114 4.345 4.460 -0.002 0.000 0.404 295 C C -0.697 174.270 174.990 -0.038 0.000 1.551 295 C CA -1.044 57.952 59.018 -0.037 0.000 1.457 295 C CB 0.234 27.951 27.740 -0.038 0.000 2.639 295 C HN 0.222 nan 8.230 nan 0.000 0.590 296 P HA -0.085 nan 4.420 nan 0.000 0.223 296 P C 0.725 178.003 177.300 -0.036 0.000 1.144 296 P CA 1.498 64.574 63.100 -0.040 0.000 0.783 296 P CB -0.042 31.629 31.700 -0.048 0.000 0.771 297 L N -2.159 119.037 121.223 -0.044 0.000 2.769 297 L HA 0.242 4.580 4.340 -0.002 0.000 0.240 297 L C 0.450 177.317 176.870 -0.005 0.000 1.163 297 L CA -0.205 54.620 54.840 -0.025 0.000 0.962 297 L CB -0.078 41.960 42.059 -0.035 0.000 1.258 297 L HN -0.069 nan 8.230 nan 0.000 0.513 298 L N 0.322 121.540 121.223 -0.008 0.000 2.317 298 L HA 0.443 4.782 4.340 -0.002 0.000 0.281 298 L C 0.723 177.593 176.870 0.001 0.000 1.024 298 L CA -0.496 54.345 54.840 0.002 0.000 0.810 298 L CB 1.910 43.970 42.059 0.001 0.000 1.240 298 L HN 0.162 nan 8.230 nan 0.000 0.427 299 R N 0.000 120.503 120.500 0.005 0.000 2.786 299 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 299 R CA 0.000 56.102 56.100 0.004 0.000 0.921 299 R CB 0.000 30.303 30.300 0.005 0.000 0.687 299 R HN 0.000 nan 8.270 nan 0.000 0.535