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 2vft_1_A DATA FIRST_RESID 3 DATA SEQUENCE DITVTNWAGN ITYTAKELLR PHSLDALRAL VADSARVRVL GSGHSFNEIA DATA SEQUENCE EPGDGGVLLS LAGLPSVVDV DTAARTVRVG GGVRYAELAR VVHARGLALP DATA SEQUENCE NMASLPHISV AGSVATGTHG SGVGNGSLAS VVREVELVTA DGSTVVIARG DATA SEQUENCE DERFGGAVTS LGALGVVTSL TLDLEPAYEM EQHVFTELPL AGLDPATFET DATA SEQUENCE VMAAAYSVSL FTDWRAPGFR QVWLKRRTDR PLDGFPYAAP AAEKMHPVPG DATA SEQUENCE MPAVNCTEQF GVPGPWHERL PHFRAEFTPS SGAELQSEYL MPREHALAAL DATA SEQUENCE HAMDAIRETL APVLQTCEIR TVAADAQWLS PAYGRDTVAA HFTWVEDTAA DATA SEQUENCE VLPVVRRLEE ALVPFAARPH WGKVFTVPAG ELRALYPRLA DFGALAGALD DATA SEQUENCE PAGKFTNAFV RGVLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.304 176.300 0.007 0.000 2.045 3 D CA 0.000 54.004 54.000 0.006 0.000 0.868 3 D CB 0.000 40.803 40.800 0.006 0.000 0.688 4 I N -2.212 118.365 120.570 0.011 0.000 2.957 4 I HA 0.801 4.972 4.170 0.001 0.000 0.310 4 I C -0.519 175.609 176.117 0.018 0.000 1.063 4 I CA -0.564 60.744 61.300 0.012 0.000 1.033 4 I CB 2.484 40.492 38.000 0.013 0.000 1.230 4 I HN 0.083 nan 8.210 nan 0.000 0.447 5 T N 3.435 117.998 114.554 0.015 0.000 2.758 5 T HA 0.547 4.898 4.350 0.001 0.000 0.285 5 T C -0.334 174.386 174.700 0.032 0.000 0.981 5 T CA -0.401 61.710 62.100 0.018 0.000 0.965 5 T CB 1.307 70.174 68.868 -0.002 0.000 0.927 5 T HN 0.407 nan 8.240 nan 0.000 0.448 6 V N 4.393 124.350 119.914 0.071 0.000 2.435 6 V HA 0.710 4.831 4.120 0.001 0.000 0.290 6 V C 0.619 176.795 176.094 0.137 0.000 1.030 6 V CA -0.805 61.574 62.300 0.131 0.000 0.881 6 V CB 1.487 33.426 31.823 0.194 0.000 0.983 6 V HN 1.078 nan 8.190 nan 0.000 0.445 7 T N 0.751 115.347 114.554 0.070 0.000 2.888 7 T HA 0.521 4.872 4.350 0.001 0.000 0.288 7 T C -0.187 174.516 174.700 0.005 0.000 1.063 7 T CA -0.924 61.106 62.100 -0.118 0.000 1.010 7 T CB 1.854 70.640 68.868 -0.137 0.000 1.214 7 T HN 0.662 nan 8.240 nan 0.000 0.533 8 N N -0.364 118.240 118.700 -0.161 0.000 2.327 8 N HA 0.041 4.782 4.740 0.001 0.000 0.257 8 N C 0.691 176.180 175.510 -0.035 0.000 1.281 8 N CA -0.898 52.148 53.050 -0.006 0.000 0.942 8 N CB -0.117 38.317 38.487 -0.089 0.000 1.199 8 N HN 0.950 nan 8.380 nan 0.000 0.532 9 W N 0.368 121.492 121.300 -0.293 0.000 2.355 9 W HA 0.071 4.732 4.660 0.001 0.000 0.309 9 W C 2.112 178.471 176.519 -0.267 0.000 1.206 9 W CA 2.592 59.726 57.345 -0.351 0.000 1.284 9 W CB -0.615 28.416 29.460 -0.715 0.000 1.145 9 W HN 0.669 nan 8.180 nan 0.000 0.502 10 A N 0.043 122.753 122.820 -0.182 0.000 2.119 10 A HA 0.233 4.554 4.320 0.001 0.000 0.217 10 A C 1.971 179.435 177.584 -0.200 0.000 1.153 10 A CA 1.616 53.509 52.037 -0.240 0.000 0.692 10 A CB -1.244 17.837 19.000 0.134 0.000 0.799 10 A HN 1.027 nan 8.150 nan 0.000 0.458 11 G N 0.311 109.002 108.800 -0.182 0.000 2.179 11 G HA2 -0.372 3.588 3.960 0.001 0.000 0.260 11 G HA3 -0.372 3.588 3.960 0.001 0.000 0.260 11 G C 0.753 175.587 174.900 -0.110 0.000 0.977 11 G CA 0.785 45.793 45.100 -0.153 0.000 0.641 11 G HN 0.884 nan 8.290 nan 0.000 0.533 12 N N 0.152 118.814 118.700 -0.065 0.000 2.494 12 N HA 0.051 4.791 4.740 0.001 0.000 0.182 12 N C 0.564 176.029 175.510 -0.076 0.000 1.076 12 N CA 0.745 53.778 53.050 -0.028 0.000 0.908 12 N CB 0.229 38.757 38.487 0.067 0.000 0.967 12 N HN 0.360 nan 8.380 nan 0.000 0.449 13 I N 1.742 122.214 120.570 -0.164 0.000 2.382 13 I HA 0.217 4.388 4.170 0.001 0.000 0.286 13 I C -0.369 175.476 176.117 -0.452 0.000 1.002 13 I CA -0.393 60.737 61.300 -0.284 0.000 1.135 13 I CB 1.233 39.026 38.000 -0.345 0.000 1.288 13 I HN -0.192 nan 8.210 nan 0.000 0.448 14 T N 6.663 121.015 114.554 -0.337 0.000 2.749 14 T HA 0.460 4.811 4.350 0.001 0.000 0.287 14 T C -0.195 174.331 174.700 -0.290 0.000 0.970 14 T CA -0.237 61.682 62.100 -0.302 0.000 0.980 14 T CB 0.321 69.108 68.868 -0.135 0.000 0.924 14 T HN 0.111 nan 8.240 nan 0.000 0.456 15 Y N 1.613 121.909 120.300 -0.007 0.000 2.326 15 Y HA 0.189 4.739 4.550 0.001 0.000 0.333 15 Y C 2.352 178.252 175.900 -0.000 0.000 1.240 15 Y CA -0.672 57.427 58.100 -0.002 0.000 1.365 15 Y CB 0.359 38.817 38.460 -0.004 0.000 1.289 15 Y HN 0.724 nan 8.280 nan 0.000 0.548 16 T N -1.543 113.118 114.554 0.178 0.000 3.035 16 T HA 0.096 4.447 4.350 0.001 0.000 0.268 16 T C 0.857 175.603 174.700 0.078 0.000 1.109 16 T CA 0.303 62.460 62.100 0.094 0.000 1.119 16 T CB -0.487 68.424 68.868 0.072 0.000 0.900 16 T HN 0.648 nan 8.240 nan 0.000 0.503 17 A N 1.604 124.483 122.820 0.097 0.000 2.488 17 A HA 0.409 4.730 4.320 0.001 0.000 0.249 17 A C 1.148 178.762 177.584 0.050 0.000 1.083 17 A CA -0.522 51.548 52.037 0.055 0.000 0.768 17 A CB 0.340 19.360 19.000 0.033 0.000 1.017 17 A HN 0.174 nan 8.150 nan 0.000 0.496 18 K N 0.966 121.384 120.400 0.029 0.000 2.374 18 K HA 0.101 4.422 4.320 0.001 0.000 0.196 18 K C 0.059 176.669 176.600 0.017 0.000 1.023 18 K CA 0.652 56.952 56.287 0.022 0.000 1.103 18 K CB 0.118 32.626 32.500 0.015 0.000 0.848 18 K HN 0.941 nan 8.250 nan 0.000 0.528 19 E N -0.261 119.947 120.200 0.014 0.000 2.372 19 E HA 0.313 4.663 4.350 0.001 0.000 0.279 19 E C -1.379 175.223 176.600 0.003 0.000 0.946 19 E CA -1.002 55.403 56.400 0.008 0.000 0.769 19 E CB 1.269 30.969 29.700 0.001 0.000 1.230 19 E HN -0.154 nan 8.360 nan 0.000 0.442 20 L N 3.068 124.293 121.223 0.002 0.000 2.276 20 L HA 0.390 4.731 4.340 0.001 0.000 0.286 20 L C -1.290 175.573 176.870 -0.011 0.000 1.024 20 L CA -0.530 54.305 54.840 -0.008 0.000 0.826 20 L CB 0.899 42.958 42.059 0.000 0.000 1.211 20 L HN 0.612 nan 8.230 nan 0.000 0.422 21 L N 5.803 127.015 121.223 -0.018 0.000 2.367 21 L HA 0.407 4.748 4.340 0.001 0.000 0.275 21 L C 0.319 177.178 176.870 -0.018 0.000 1.129 21 L CA -0.134 54.693 54.840 -0.021 0.000 0.839 21 L CB 0.465 42.509 42.059 -0.026 0.000 1.133 21 L HN 0.607 nan 8.230 nan 0.000 0.453 22 R N 3.602 124.091 120.500 -0.019 0.000 2.585 22 R HA 0.278 4.619 4.340 0.001 0.000 0.278 22 R C -2.455 173.831 176.300 -0.023 0.000 1.663 22 R CA -1.567 54.528 56.100 -0.009 0.000 1.592 22 R CB 0.947 31.252 30.300 0.008 0.000 1.200 22 R HN 0.370 nan 8.270 nan 0.000 0.611 23 P HA -0.051 nan 4.420 nan 0.000 0.267 23 P C -0.219 177.062 177.300 -0.032 0.000 1.200 23 P CA 0.074 63.115 63.100 -0.099 0.000 0.772 23 P CB 0.650 32.309 31.700 -0.069 0.000 0.855 24 H N -1.098 117.974 119.070 0.004 0.000 2.549 24 H HA 0.372 4.928 4.556 -0.000 0.000 0.279 24 H C 0.073 175.403 175.328 0.003 0.000 1.018 24 H CA -0.706 55.344 56.048 0.003 0.000 1.175 24 H CB -0.370 29.394 29.762 0.002 0.000 1.485 24 H HN 0.329 nan 8.280 nan 0.000 0.543 25 S N -0.785 115.018 115.700 0.171 0.000 2.570 25 S HA 0.245 4.715 4.470 0.001 0.000 0.270 25 S C 0.392 175.023 174.600 0.052 0.000 1.149 25 S CA -0.805 57.470 58.200 0.124 0.000 0.837 25 S CB 1.407 64.702 63.200 0.158 0.000 1.124 25 S HN 0.110 nan 8.310 nan 0.000 0.465 26 L N 1.507 122.754 121.223 0.040 0.000 2.083 26 L HA 0.054 4.394 4.340 0.001 0.000 0.209 26 L C 1.954 178.836 176.870 0.020 0.000 1.083 26 L CA 2.627 57.482 54.840 0.024 0.000 0.752 26 L CB -1.091 40.979 42.059 0.020 0.000 0.899 26 L HN 1.024 nan 8.230 nan 0.000 0.433 27 D N -0.638 119.777 120.400 0.025 0.000 2.116 27 D HA -0.235 4.405 4.640 0.001 0.000 0.193 27 D C 2.132 178.435 176.300 0.006 0.000 0.998 27 D CA 1.657 55.668 54.000 0.018 0.000 0.836 27 D CB -0.064 40.752 40.800 0.026 0.000 0.951 27 D HN 0.456 nan 8.370 nan 0.000 0.449 28 A N -0.227 122.590 122.820 -0.005 0.000 1.933 28 A HA -0.091 4.229 4.320 0.001 0.000 0.218 28 A C 2.147 179.712 177.584 -0.032 0.000 1.175 28 A CA 1.393 53.404 52.037 -0.044 0.000 0.628 28 A CB -0.856 18.071 19.000 -0.122 0.000 0.814 28 A HN 0.404 nan 8.150 nan 0.000 0.444 29 L N -0.103 121.111 121.223 -0.014 0.000 2.027 29 L HA -0.109 4.231 4.340 0.001 0.000 0.206 29 L C 2.421 179.299 176.870 0.014 0.000 1.074 29 L CA 1.934 56.774 54.840 -0.000 0.000 0.745 29 L CB -0.620 41.444 42.059 0.009 0.000 0.898 29 L HN 0.341 nan 8.230 nan 0.000 0.433 30 R N -0.348 120.162 120.500 0.016 0.000 2.083 30 R HA -0.152 4.189 4.340 0.001 0.000 0.237 30 R C 2.255 178.567 176.300 0.019 0.000 1.137 30 R CA 1.451 57.566 56.100 0.024 0.000 0.951 30 R CB -0.799 29.512 30.300 0.019 0.000 0.851 30 R HN 0.552 nan 8.270 nan 0.000 0.434 31 A N 1.272 124.096 122.820 0.006 0.000 1.902 31 A HA -0.161 4.159 4.320 0.001 0.000 0.217 31 A C 2.107 179.688 177.584 -0.005 0.000 1.181 31 A CA 1.091 53.128 52.037 -0.000 0.000 0.623 31 A CB -0.497 18.498 19.000 -0.007 0.000 0.818 31 A HN 0.234 nan 8.150 nan 0.000 0.443 32 L N -0.027 121.191 121.223 -0.009 0.000 2.012 32 L HA -0.122 4.219 4.340 0.001 0.000 0.210 32 L C 2.412 179.279 176.870 -0.004 0.000 1.073 32 L CA 2.004 56.836 54.840 -0.013 0.000 0.748 32 L CB -0.601 41.448 42.059 -0.018 0.000 0.891 32 L HN 0.158 nan 8.230 nan 0.000 0.431 33 V N 0.021 119.949 119.914 0.022 0.000 2.295 33 V HA -0.282 3.839 4.120 0.001 0.000 0.246 33 V C 2.782 178.881 176.094 0.008 0.000 1.049 33 V CA 1.664 63.989 62.300 0.042 0.000 1.024 33 V CB -1.311 30.595 31.823 0.139 0.000 0.648 33 V HN 0.613 nan 8.190 nan 0.000 0.447 34 A N -0.435 122.395 122.820 0.017 0.000 1.972 34 A HA -0.211 4.110 4.320 0.001 0.000 0.219 34 A C 1.802 179.376 177.584 -0.016 0.000 1.169 34 A CA 1.874 53.914 52.037 0.005 0.000 0.635 34 A CB -0.417 18.590 19.000 0.011 0.000 0.810 34 A HN 0.560 nan 8.150 nan 0.000 0.446 35 D N -0.199 120.189 120.400 -0.019 0.000 2.339 35 D HA 0.143 4.783 4.640 0.001 0.000 0.217 35 D C -0.186 176.091 176.300 -0.038 0.000 1.050 35 D CA 0.328 54.313 54.000 -0.026 0.000 0.856 35 D CB 0.304 41.092 40.800 -0.021 0.000 0.922 35 D HN 0.222 nan 8.370 nan 0.000 0.518 36 S N -0.207 115.460 115.700 -0.055 0.000 2.501 36 S HA 0.530 5.001 4.470 0.001 0.000 0.301 36 S C 1.007 175.545 174.600 -0.104 0.000 1.096 36 S CA -0.659 57.497 58.200 -0.074 0.000 1.063 36 S CB 2.317 65.469 63.200 -0.081 0.000 1.042 36 S HN 0.113 nan 8.310 nan 0.000 0.494 37 A N 3.184 125.948 122.820 -0.093 0.000 1.970 37 A HA 0.180 4.500 4.320 0.001 0.000 0.216 37 A C 0.774 178.271 177.584 -0.145 0.000 1.170 37 A CA 0.833 52.810 52.037 -0.100 0.000 0.645 37 A CB 0.101 19.062 19.000 -0.066 0.000 0.816 37 A HN 0.724 nan 8.150 nan 0.000 0.447 38 R N -1.461 118.948 120.500 -0.152 0.000 2.584 38 R HA 0.596 4.936 4.340 0.001 0.000 0.276 38 R C -2.048 174.138 176.300 -0.190 0.000 1.046 38 R CA -0.437 55.553 56.100 -0.185 0.000 0.906 38 R CB 2.511 32.748 30.300 -0.104 0.000 1.215 38 R HN 0.032 nan 8.270 nan 0.000 0.449 39 V N 3.112 122.864 119.914 -0.271 0.000 2.760 39 V HA 0.588 4.708 4.120 0.001 0.000 0.309 39 V C -0.610 175.471 176.094 -0.021 0.000 1.077 39 V CA -0.972 61.230 62.300 -0.165 0.000 0.910 39 V CB 2.286 33.971 31.823 -0.229 0.000 1.008 39 V HN 0.609 nan 8.190 nan 0.000 0.424 40 R N 2.139 122.648 120.500 0.016 0.000 2.795 40 R HA 0.724 5.064 4.340 0.001 0.000 0.275 40 R C -1.308 175.002 176.300 0.015 0.000 0.981 40 R CA -0.749 55.383 56.100 0.053 0.000 0.917 40 R CB 2.374 32.666 30.300 -0.014 0.000 1.202 40 R HN 0.463 nan 8.270 nan 0.000 0.469 41 V N 2.758 122.686 119.914 0.023 0.000 2.481 41 V HA 0.323 4.444 4.120 0.001 0.000 0.286 41 V C -0.070 175.980 176.094 -0.073 0.000 1.042 41 V CA -0.841 61.450 62.300 -0.014 0.000 0.928 41 V CB 1.527 33.350 31.823 0.001 0.000 0.986 41 V HN 0.470 nan 8.190 nan 0.000 0.462 42 L N 4.454 125.622 121.223 -0.091 0.000 2.272 42 L HA 0.757 5.097 4.340 0.001 0.000 0.289 42 L C 0.668 177.515 176.870 -0.037 0.000 1.032 42 L CA 0.653 55.431 54.840 -0.103 0.000 0.810 42 L CB 1.049 43.018 42.059 -0.150 0.000 1.205 42 L HN 0.697 nan 8.230 nan 0.000 0.422 43 G N 1.699 110.491 108.800 -0.012 0.000 3.311 43 G HA2 0.109 4.070 3.960 0.001 0.000 0.169 43 G HA3 0.109 4.070 3.960 0.001 0.000 0.169 43 G C 0.510 175.434 174.900 0.039 0.000 1.852 43 G CA 0.440 45.550 45.100 0.016 0.000 1.010 43 G HN 0.683 nan 8.290 nan 0.000 0.530 44 S N -0.752 114.990 115.700 0.070 0.000 2.577 44 S HA 0.377 4.847 4.470 0.001 0.000 0.219 44 S C 1.597 176.257 174.600 0.100 0.000 0.962 44 S CA 0.872 59.136 58.200 0.106 0.000 0.921 44 S CB 0.322 63.613 63.200 0.151 0.000 0.789 44 S HN 2.046 nan 8.310 nan 0.000 0.497 45 G N 1.861 110.706 108.800 0.076 0.000 2.168 45 G HA2 -0.287 3.673 3.960 0.001 0.000 0.257 45 G HA3 -0.287 3.673 3.960 0.001 0.000 0.257 45 G C 0.263 175.130 174.900 -0.054 0.000 0.997 45 G CA 0.469 45.605 45.100 0.061 0.000 0.708 45 G HN 0.670 nan 8.290 nan 0.000 0.520 46 H N 0.823 119.850 119.070 -0.071 0.000 2.669 46 H HA 0.254 4.811 4.556 0.001 0.000 0.297 46 H C 1.456 176.688 175.328 -0.160 0.000 1.071 46 H CA 0.899 56.827 56.048 -0.200 0.000 1.182 46 H CB -0.093 29.521 29.762 -0.247 0.000 1.343 46 H HN 0.655 nan 8.280 nan 0.000 0.582 47 S N -0.748 114.912 115.700 -0.066 0.000 2.687 47 S HA 0.312 4.782 4.470 0.001 0.000 0.283 47 S C 0.179 174.631 174.600 -0.246 0.000 1.170 47 S CA -0.723 57.484 58.200 0.010 0.000 1.008 47 S CB 0.987 64.242 63.200 0.093 0.000 1.026 47 S HN 0.127 nan 8.310 nan 0.000 0.541 48 F N 0.973 121.021 119.950 0.164 0.000 2.724 48 F HA 0.333 4.861 4.527 0.002 0.000 0.310 48 F C 0.486 176.351 175.800 0.108 0.000 1.107 48 F CA -0.649 57.441 58.000 0.150 0.000 1.218 48 F CB 0.053 39.165 39.000 0.187 0.000 1.042 48 F HN 0.715 nan 8.300 nan 0.000 0.540 49 N N -1.319 117.501 118.700 0.201 0.000 3.439 49 N HA 0.197 4.938 4.740 0.001 0.000 0.343 49 N C -0.067 175.501 175.510 0.096 0.000 1.597 49 N CA -0.787 52.351 53.050 0.148 0.000 0.733 49 N CB 0.288 38.889 38.487 0.189 0.000 1.973 49 N HN -0.055 nan 8.380 nan 0.000 0.646 50 E N -0.366 119.909 120.200 0.125 0.000 2.394 50 E HA 0.193 4.544 4.350 0.001 0.000 0.191 50 E C 0.772 177.376 176.600 0.007 0.000 1.044 50 E CA -0.219 56.265 56.400 0.140 0.000 0.939 50 E CB -0.127 29.685 29.700 0.188 0.000 1.089 50 E HN 0.482 nan 8.360 nan 0.000 0.456 51 I N 0.966 121.323 120.570 -0.355 0.000 2.264 51 I HA -0.288 3.883 4.170 0.001 0.000 0.248 51 I C 1.992 177.972 176.117 -0.227 0.000 1.111 51 I CA 1.208 62.083 61.300 -0.709 0.000 1.382 51 I CB 0.157 37.590 38.000 -0.945 0.000 1.060 51 I HN 0.082 nan 8.210 nan 0.000 0.418 52 A N -0.369 122.404 122.820 -0.078 0.000 2.251 52 A HA -0.003 4.317 4.320 0.001 0.000 0.209 52 A C 0.881 178.362 177.584 -0.172 0.000 1.187 52 A CA -0.056 51.899 52.037 -0.137 0.000 0.823 52 A CB -0.343 18.516 19.000 -0.236 0.000 0.846 52 A HN 0.447 nan 8.150 nan 0.000 0.486 53 E N 1.553 121.780 120.200 0.044 0.000 2.299 53 E HA 0.160 4.511 4.350 0.001 0.000 0.272 53 E C -1.866 174.762 176.600 0.048 0.000 1.043 53 E CA -2.165 54.311 56.400 0.126 0.000 0.895 53 E CB 0.866 30.713 29.700 0.245 0.000 1.011 53 E HN 0.206 nan 8.360 nan 0.000 0.432 54 P HA 0.198 nan 4.420 nan 0.000 0.261 54 P C -0.017 177.297 177.300 0.022 0.000 1.268 54 P CA 0.462 63.565 63.100 0.004 0.000 0.833 54 P CB 0.242 31.923 31.700 -0.032 0.000 1.231 55 G N 0.846 109.674 108.800 0.047 0.000 2.733 55 G HA2 -0.152 3.809 3.960 0.001 0.000 0.686 55 G HA3 -0.152 3.809 3.960 0.001 0.000 0.686 55 G C -1.020 173.898 174.900 0.030 0.000 1.373 55 G CA -0.827 44.300 45.100 0.045 0.000 0.838 55 G HN 0.136 nan 8.290 nan 0.000 0.588 56 D N 0.698 121.116 120.400 0.029 0.000 2.488 56 D HA 0.389 5.030 4.640 0.001 0.000 0.238 56 D C 1.597 177.902 176.300 0.008 0.000 1.138 56 D CA 2.103 56.115 54.000 0.020 0.000 0.873 56 D CB 0.737 41.547 40.800 0.018 0.000 1.183 56 D HN 1.936 nan 8.370 nan 0.000 0.458 57 G N 1.962 110.764 108.800 0.003 0.000 2.212 57 G HA2 -0.238 3.723 3.960 0.001 0.000 0.266 57 G HA3 -0.238 3.723 3.960 0.001 0.000 0.266 57 G C 0.769 175.659 174.900 -0.017 0.000 0.978 57 G CA 0.301 45.397 45.100 -0.007 0.000 0.632 57 G HN 0.819 nan 8.290 nan 0.000 0.537 58 G N -0.666 108.125 108.800 -0.015 0.000 2.483 58 G HA2 0.544 4.504 3.960 0.001 0.000 0.248 58 G HA3 0.544 4.504 3.960 0.001 0.000 0.248 58 G C 0.092 174.972 174.900 -0.033 0.000 1.248 58 G CA 0.247 45.328 45.100 -0.031 0.000 0.838 58 G HN 0.896 nan 8.290 nan 0.000 0.566 59 V N 2.485 122.370 119.914 -0.049 0.000 2.432 59 V HA 0.184 4.304 4.120 0.001 0.000 0.271 59 V C 0.061 176.125 176.094 -0.050 0.000 1.046 59 V CA -0.488 61.785 62.300 -0.045 0.000 0.945 59 V CB 1.135 32.929 31.823 -0.049 0.000 0.992 59 V HN 0.555 nan 8.190 nan 0.000 0.471 60 L N 8.018 129.208 121.223 -0.055 0.000 2.265 60 L HA 0.650 4.990 4.340 0.001 0.000 0.289 60 L C -0.522 176.312 176.870 -0.060 0.000 1.033 60 L CA -0.066 54.722 54.840 -0.086 0.000 0.814 60 L CB 1.101 43.080 42.059 -0.133 0.000 1.203 60 L HN 0.645 nan 8.230 nan 0.000 0.423 61 L N 2.728 123.924 121.223 -0.046 0.000 2.341 61 L HA 0.919 5.260 4.340 0.001 0.000 0.267 61 L C -0.384 176.472 176.870 -0.025 0.000 1.009 61 L CA -0.343 54.483 54.840 -0.025 0.000 0.819 61 L CB 1.979 44.035 42.059 -0.004 0.000 1.323 61 L HN 0.480 nan 8.230 nan 0.000 0.425 62 S N 1.532 117.222 115.700 -0.017 0.000 2.566 62 S HA 0.647 5.118 4.470 0.001 0.000 0.298 62 S C 0.316 174.915 174.600 -0.002 0.000 1.083 62 S CA -0.784 57.410 58.200 -0.011 0.000 0.978 62 S CB 1.246 64.441 63.200 -0.008 0.000 1.073 62 S HN 0.807 nan 8.310 nan 0.000 0.491 63 L N 2.951 124.175 121.223 0.001 0.000 2.611 63 L HA 0.285 4.625 4.340 0.001 0.000 0.229 63 L C 2.228 179.104 176.870 0.011 0.000 1.137 63 L CA 0.237 55.080 54.840 0.005 0.000 0.901 63 L CB -0.519 41.540 42.059 -0.001 0.000 1.098 63 L HN 0.837 nan 8.230 nan 0.000 0.456 64 A N 0.554 123.381 122.820 0.013 0.000 2.070 64 A HA -0.074 4.246 4.320 0.001 0.000 0.220 64 A C 2.211 179.809 177.584 0.024 0.000 1.159 64 A CA 1.551 53.598 52.037 0.018 0.000 0.656 64 A CB -0.577 18.435 19.000 0.019 0.000 0.800 64 A HN 0.439 nan 8.150 nan 0.000 0.453 65 G N -1.160 107.658 108.800 0.030 0.000 2.813 65 G HA2 0.333 4.293 3.960 0.001 0.000 0.209 65 G HA3 0.333 4.293 3.960 0.001 0.000 0.209 65 G C 0.508 175.444 174.900 0.062 0.000 1.150 65 G CA -0.147 44.984 45.100 0.051 0.000 0.785 65 G HN 0.388 nan 8.290 nan 0.000 0.535 66 L N 0.763 122.011 121.223 0.042 0.000 2.360 66 L HA 0.355 4.696 4.340 0.001 0.000 0.271 66 L C -1.972 174.912 176.870 0.024 0.000 1.057 66 L CA -2.025 52.837 54.840 0.038 0.000 0.803 66 L CB 1.416 43.490 42.059 0.026 0.000 1.207 66 L HN -0.110 nan 8.230 nan 0.000 0.445 67 P HA -0.015 nan 4.420 nan 0.000 0.265 67 P C -0.583 176.721 177.300 0.006 0.000 1.193 67 P CA -0.176 62.931 63.100 0.011 0.000 0.765 67 P CB 0.469 32.174 31.700 0.008 0.000 0.823 68 S N 2.212 117.915 115.700 0.004 0.000 3.483 68 S HA 0.225 4.695 4.470 0.001 0.000 0.274 68 S C 0.051 174.649 174.600 -0.003 0.000 1.289 68 S CA -0.733 57.467 58.200 -0.001 0.000 0.938 68 S CB -0.904 62.297 63.200 0.001 0.000 1.453 68 S HN 0.137 nan 8.310 nan 0.000 0.494 69 V N 3.643 123.554 119.914 -0.005 0.000 2.572 69 V HA 0.273 4.394 4.120 0.001 0.000 0.291 69 V C 0.096 176.184 176.094 -0.009 0.000 1.039 69 V CA -0.313 61.984 62.300 -0.005 0.000 1.055 69 V CB 0.886 32.706 31.823 -0.005 0.000 0.969 69 V HN 0.719 nan 8.190 nan 0.000 0.482 70 V N 3.953 123.864 119.914 -0.004 0.000 2.445 70 V HA 0.397 4.517 4.120 0.001 0.000 0.283 70 V C -0.821 175.274 176.094 0.001 0.000 1.014 70 V CA -0.518 61.779 62.300 -0.003 0.000 0.852 70 V CB 1.670 33.494 31.823 0.001 0.000 1.021 70 V HN 0.906 nan 8.190 nan 0.000 0.435 71 D N 3.953 124.353 120.400 -0.001 0.000 2.454 71 D HA 0.422 5.062 4.640 0.001 0.000 0.247 71 D C -0.592 175.708 176.300 -0.000 0.000 1.129 71 D CA -0.169 53.831 54.000 -0.000 0.000 0.877 71 D CB 1.957 42.756 40.800 -0.002 0.000 1.082 71 D HN 0.260 nan 8.370 nan 0.000 0.537 72 V N 3.553 123.468 119.914 0.002 0.000 2.461 72 V HA 0.221 4.342 4.120 0.001 0.000 0.275 72 V C 0.362 176.454 176.094 -0.004 0.000 1.047 72 V CA -0.538 61.763 62.300 0.000 0.000 0.955 72 V CB 1.467 33.292 31.823 0.003 0.000 0.988 72 V HN 0.483 nan 8.190 nan 0.000 0.471 73 D N 3.640 124.037 120.400 -0.006 0.000 2.443 73 D HA 0.154 4.794 4.640 0.001 0.000 0.221 73 D C 1.348 177.642 176.300 -0.011 0.000 1.097 73 D CA 0.061 54.055 54.000 -0.009 0.000 0.865 73 D CB 1.737 42.532 40.800 -0.010 0.000 1.034 73 D HN 0.710 nan 8.370 nan 0.000 0.511 74 T N 1.206 115.753 114.554 -0.011 0.000 2.746 74 T HA -0.139 4.212 4.350 0.001 0.000 0.267 74 T C 1.905 176.596 174.700 -0.015 0.000 1.039 74 T CA 1.100 63.192 62.100 -0.014 0.000 1.142 74 T CB -0.179 68.680 68.868 -0.014 0.000 0.866 74 T HN 0.264 nan 8.240 nan 0.000 0.444 75 A N 1.966 124.778 122.820 -0.013 0.000 1.908 75 A HA 0.318 4.639 4.320 0.001 0.000 0.218 75 A C 2.727 180.303 177.584 -0.015 0.000 1.181 75 A CA 1.917 53.946 52.037 -0.013 0.000 0.627 75 A CB -1.294 17.699 19.000 -0.012 0.000 0.818 75 A HN 0.828 nan 8.150 nan 0.000 0.445 76 A N -1.631 121.180 122.820 -0.015 0.000 2.169 76 A HA 0.227 4.548 4.320 0.001 0.000 0.212 76 A C 1.116 178.690 177.584 -0.018 0.000 1.153 76 A CA 0.528 52.556 52.037 -0.016 0.000 0.756 76 A CB -0.272 18.718 19.000 -0.016 0.000 0.813 76 A HN 0.497 nan 8.150 nan 0.000 0.471 77 R N 0.160 120.649 120.500 -0.018 0.000 3.205 77 R HA -0.142 4.199 4.340 0.001 0.000 0.249 77 R C -0.328 175.961 176.300 -0.017 0.000 0.937 77 R CA 0.868 56.956 56.100 -0.021 0.000 0.641 77 R CB -2.634 27.651 30.300 -0.025 0.000 1.114 77 R HN 0.741 nan 8.270 nan 0.000 0.451 78 T N -3.934 110.612 114.554 -0.013 0.000 2.901 78 T HA 0.706 5.057 4.350 0.001 0.000 0.293 78 T C -0.538 174.160 174.700 -0.004 0.000 1.084 78 T CA -0.755 61.340 62.100 -0.008 0.000 1.008 78 T CB 2.741 71.603 68.868 -0.010 0.000 1.170 78 T HN 0.092 nan 8.240 nan 0.000 0.509 79 V N 1.007 120.922 119.914 0.002 0.000 2.623 79 V HA 0.703 4.824 4.120 0.001 0.000 0.304 79 V C -0.676 175.418 176.094 0.001 0.000 1.054 79 V CA -1.005 61.297 62.300 0.003 0.000 0.882 79 V CB 1.815 33.644 31.823 0.010 0.000 1.002 79 V HN 1.107 nan 8.190 nan 0.000 0.424 80 R N 4.586 125.085 120.500 -0.003 0.000 2.265 80 R HA 0.771 5.111 4.340 0.001 0.000 0.319 80 R C -1.592 174.701 176.300 -0.011 0.000 1.006 80 R CA -0.204 55.893 56.100 -0.005 0.000 0.880 80 R CB 1.669 31.966 30.300 -0.005 0.000 1.077 80 R HN 0.627 nan 8.270 nan 0.000 0.454 81 V N 4.256 124.159 119.914 -0.019 0.000 2.760 81 V HA 0.612 4.732 4.120 0.001 0.000 0.309 81 V C -0.061 176.012 176.094 -0.035 0.000 1.077 81 V CA -0.442 61.838 62.300 -0.033 0.000 0.910 81 V CB 1.876 33.665 31.823 -0.057 0.000 1.008 81 V HN 0.969 nan 8.190 nan 0.000 0.424 82 G N 3.632 112.412 108.800 -0.032 0.000 2.491 82 G HA2 0.359 4.319 3.960 0.001 0.000 0.238 82 G HA3 0.359 4.319 3.960 0.001 0.000 0.238 82 G C 1.100 175.975 174.900 -0.042 0.000 1.277 82 G CA 0.227 45.310 45.100 -0.029 0.000 0.851 82 G HN 1.482 nan 8.290 nan 0.000 0.573 83 G N 0.996 109.775 108.800 -0.035 0.000 2.448 83 G HA2 -0.012 3.949 3.960 0.001 0.000 0.219 83 G HA3 -0.012 3.949 3.960 0.001 0.000 0.219 83 G C 1.533 176.409 174.900 -0.039 0.000 1.127 83 G CA 1.200 46.275 45.100 -0.041 0.000 0.766 83 G HN 0.954 nan 8.290 nan 0.000 0.552 84 G N -0.312 108.471 108.800 -0.028 0.000 2.880 84 G HA2 0.260 4.221 3.960 0.001 0.000 0.209 84 G HA3 0.260 4.221 3.960 0.001 0.000 0.209 84 G C 0.533 175.420 174.900 -0.022 0.000 1.157 84 G CA -0.036 45.054 45.100 -0.018 0.000 0.779 84 G HN 0.275 nan 8.290 nan 0.000 0.539 85 V N 1.159 121.048 119.914 -0.042 0.000 2.673 85 V HA 0.124 4.244 4.120 0.001 0.000 0.303 85 V C 0.707 176.752 176.094 -0.082 0.000 1.046 85 V CA 0.146 62.414 62.300 -0.053 0.000 1.126 85 V CB 0.616 32.397 31.823 -0.070 0.000 0.934 85 V HN 0.316 nan 8.190 nan 0.000 0.487 86 R N 2.542 123.018 120.500 -0.040 0.000 2.596 86 R HA 0.334 4.675 4.340 0.001 0.000 0.267 86 R C 0.470 176.742 176.300 -0.047 0.000 1.026 86 R CA -0.583 55.504 56.100 -0.021 0.000 1.087 86 R CB 0.740 31.084 30.300 0.072 0.000 1.132 86 R HN 0.646 nan 8.270 nan 0.000 0.531 87 Y N 0.747 121.046 120.300 -0.002 0.000 2.274 87 Y HA -0.268 4.283 4.550 0.001 0.000 0.290 87 Y C 2.325 178.216 175.900 -0.014 0.000 1.145 87 Y CA 1.876 59.976 58.100 -0.001 0.000 1.203 87 Y CB -0.151 38.296 38.460 -0.021 0.000 0.984 87 Y HN 0.796 nan 8.280 nan 0.000 0.533 88 A N 0.029 122.907 122.820 0.096 0.000 1.883 88 A HA -0.292 4.029 4.320 0.001 0.000 0.217 88 A C 2.138 179.762 177.584 0.067 0.000 1.186 88 A CA 2.066 54.126 52.037 0.037 0.000 0.624 88 A CB -0.760 18.251 19.000 0.019 0.000 0.822 88 A HN 0.545 nan 8.150 nan 0.000 0.444 89 E N -0.682 119.560 120.200 0.070 0.000 2.047 89 E HA -0.191 4.160 4.350 0.001 0.000 0.191 89 E C 1.941 178.563 176.600 0.037 0.000 0.987 89 E CA 1.245 57.675 56.400 0.050 0.000 0.799 89 E CB -0.244 29.480 29.700 0.039 0.000 0.752 89 E HN 0.404 nan 8.360 nan 0.000 0.449 90 L N 1.136 122.374 121.223 0.025 0.000 2.021 90 L HA -0.224 4.116 4.340 0.001 0.000 0.215 90 L C 2.261 179.192 176.870 0.103 0.000 1.074 90 L CA 2.574 57.434 54.840 0.034 0.000 0.760 90 L CB -0.923 41.120 42.059 -0.027 0.000 0.889 90 L HN 0.215 nan 8.230 nan 0.000 0.433 91 A N -0.748 122.147 122.820 0.124 0.000 1.898 91 A HA -0.187 4.133 4.320 0.001 0.000 0.216 91 A C 2.407 179.920 177.584 -0.120 0.000 1.181 91 A CA 1.620 53.722 52.037 0.108 0.000 0.620 91 A CB -0.538 18.416 19.000 -0.076 0.000 0.819 91 A HN 0.518 nan 8.150 nan 0.000 0.442 92 R N -0.646 119.793 120.500 -0.102 0.000 2.083 92 R HA -0.120 4.221 4.340 0.001 0.000 0.237 92 R C 2.045 178.348 176.300 0.004 0.000 1.137 92 R CA 1.655 57.710 56.100 -0.075 0.000 0.951 92 R CB -0.582 29.733 30.300 0.024 0.000 0.851 92 R HN 0.406 nan 8.270 nan 0.000 0.434 93 V N 0.771 120.705 119.914 0.033 0.000 2.307 93 V HA -0.200 3.920 4.120 0.001 0.000 0.245 93 V C 2.421 178.553 176.094 0.063 0.000 1.045 93 V CA 1.826 64.152 62.300 0.044 0.000 1.024 93 V CB -0.374 31.470 31.823 0.035 0.000 0.651 93 V HN 0.327 nan 8.190 nan 0.000 0.449 94 V N -1.132 118.847 119.914 0.108 0.000 2.548 94 V HA -0.235 3.886 4.120 0.001 0.000 0.249 94 V C 2.359 178.551 176.094 0.163 0.000 1.055 94 V CA 2.377 64.751 62.300 0.122 0.000 1.065 94 V CB -1.114 30.786 31.823 0.129 0.000 0.681 94 V HN 0.641 nan 8.190 nan 0.000 0.462 95 H N 1.571 120.729 119.070 0.146 0.000 2.387 95 H HA 0.077 4.634 4.556 0.001 0.000 0.299 95 H C 2.178 177.549 175.328 0.072 0.000 1.090 95 H CA 2.051 58.191 56.048 0.153 0.000 1.332 95 H CB -0.373 29.299 29.762 -0.152 0.000 1.386 95 H HN 0.515 nan 8.280 nan 0.000 0.516 96 A N 0.459 123.282 122.820 0.005 0.000 2.067 96 A HA -0.082 4.238 4.320 0.001 0.000 0.219 96 A C 2.014 179.560 177.584 -0.063 0.000 1.158 96 A CA 1.067 53.079 52.037 -0.042 0.000 0.661 96 A CB -0.144 18.868 19.000 0.019 0.000 0.801 96 A HN 0.300 nan 8.150 nan 0.000 0.452 97 R N -1.200 119.275 120.500 -0.041 0.000 2.334 97 R HA 0.153 4.494 4.340 0.001 0.000 0.220 97 R C 1.138 177.407 176.300 -0.053 0.000 0.917 97 R CA 0.687 56.766 56.100 -0.034 0.000 1.073 97 R CB -0.378 29.916 30.300 -0.011 0.000 1.056 97 R HN 0.775 nan 8.270 nan 0.000 0.506 98 G N 1.027 109.768 108.800 -0.098 0.000 2.136 98 G HA2 -0.248 3.713 3.960 0.001 0.000 0.242 98 G HA3 -0.248 3.713 3.960 0.001 0.000 0.242 98 G C 0.012 174.876 174.900 -0.059 0.000 0.989 98 G CA 0.108 45.150 45.100 -0.097 0.000 0.682 98 G HN 0.228 nan 8.290 nan 0.000 0.522 99 L N -0.942 120.255 121.223 -0.043 0.000 2.230 99 L HA 0.987 5.328 4.340 0.001 0.000 0.255 99 L C 0.326 177.084 176.870 -0.186 0.000 1.039 99 L CA -0.730 54.061 54.840 -0.082 0.000 0.846 99 L CB 2.174 44.198 42.059 -0.059 0.000 1.419 99 L HN 0.637 nan 8.230 nan 0.000 0.435 100 A N 0.433 122.998 122.820 -0.425 0.000 2.608 100 A HA 0.729 5.050 4.320 0.001 0.000 0.292 100 A C -1.628 175.521 177.584 -0.725 0.000 1.066 100 A CA -0.527 50.791 52.037 -1.199 0.000 0.676 100 A CB 1.228 19.116 19.000 -1.854 0.000 1.277 100 A HN 0.500 nan 8.150 nan 0.000 0.413 101 L N 1.426 122.136 121.223 -0.854 0.000 2.399 101 L HA 0.465 4.806 4.340 0.001 0.000 0.265 101 L C -1.229 175.642 176.870 0.002 0.000 1.089 101 L CA -1.845 52.888 54.840 -0.178 0.000 0.802 101 L CB 1.375 43.513 42.059 0.131 0.000 1.180 101 L HN 0.615 nan 8.230 nan 0.000 0.454 102 P HA -0.004 nan 4.420 nan 0.000 0.227 102 P C -0.162 177.348 177.300 0.350 0.000 1.161 102 P CA 0.921 64.171 63.100 0.251 0.000 0.788 102 P CB 0.415 32.206 31.700 0.152 0.000 0.822 103 N N -1.287 117.558 118.700 0.242 0.000 2.825 103 N HA 0.494 5.234 4.740 0.001 0.000 0.253 103 N C -1.345 174.229 175.510 0.108 0.000 1.426 103 N CA -0.488 52.681 53.050 0.198 0.000 0.851 103 N CB 1.483 40.019 38.487 0.081 0.000 1.470 103 N HN -0.243 nan 8.380 nan 0.000 0.517 104 M N 0.722 120.328 119.600 0.010 0.000 2.575 104 M HA 0.670 5.151 4.480 0.001 0.000 0.284 104 M C -0.216 175.934 176.300 -0.249 0.000 1.253 104 M CA -0.872 54.324 55.300 -0.174 0.000 0.861 104 M CB 2.040 34.584 32.600 -0.093 0.000 1.733 104 M HN 0.605 nan 8.290 nan 0.000 0.462 105 A N 0.456 123.055 122.820 -0.368 0.000 2.251 105 A HA 0.447 4.768 4.320 0.001 0.000 0.278 105 A C 1.116 178.490 177.584 -0.350 0.000 1.206 105 A CA 0.294 52.123 52.037 -0.347 0.000 0.822 105 A CB -0.057 18.739 19.000 -0.340 0.000 1.187 105 A HN 0.990 nan 8.150 nan 0.000 0.504 106 S N -1.332 114.146 115.700 -0.370 0.000 2.428 106 S HA 0.053 4.524 4.470 0.001 0.000 0.230 106 S C 0.362 174.907 174.600 -0.091 0.000 1.014 106 S CA 1.147 59.088 58.200 -0.432 0.000 0.957 106 S CB -0.464 62.568 63.200 -0.281 0.000 0.784 106 S HN 0.818 nan 8.310 nan 0.000 0.499 107 L N 2.183 123.352 121.223 -0.091 0.000 2.406 107 L HA 0.508 4.848 4.340 0.001 0.000 0.272 107 L C -2.307 174.439 176.870 -0.207 0.000 0.980 107 L CA -1.800 53.018 54.840 -0.037 0.000 0.831 107 L CB 2.175 44.173 42.059 -0.102 0.000 1.253 107 L HN -0.187 nan 8.230 nan 0.000 0.406 108 P HA -0.019 nan 4.420 nan 0.000 0.241 108 P C 0.033 177.181 177.300 -0.255 0.000 1.191 108 P CA 0.632 63.562 63.100 -0.283 0.000 0.771 108 P CB 0.093 31.599 31.700 -0.324 0.000 0.929 109 H N 0.722 119.756 119.070 -0.060 0.000 2.794 109 H HA 0.363 4.920 4.556 0.001 0.000 0.256 109 H C 0.483 175.749 175.328 -0.103 0.000 1.637 109 H CA -0.024 55.992 56.048 -0.054 0.000 1.222 109 H CB -0.669 29.062 29.762 -0.051 0.000 1.545 109 H HN 0.236 nan 8.280 nan 0.000 0.518 110 I N 0.676 121.252 120.570 0.010 0.000 2.647 110 I HA 0.098 4.269 4.170 0.001 0.000 0.295 110 I C 0.459 176.637 176.117 0.102 0.000 1.078 110 I CA -1.038 60.261 61.300 -0.000 0.000 1.048 110 I CB 2.228 40.144 38.000 -0.140 0.000 1.239 110 I HN 0.116 nan 8.210 nan 0.000 0.421 111 S N 3.922 119.665 115.700 0.072 0.000 2.560 111 S HA 0.142 4.613 4.470 0.001 0.000 0.284 111 S C 0.966 175.573 174.600 0.012 0.000 1.327 111 S CA -0.594 57.621 58.200 0.024 0.000 1.055 111 S CB 1.310 64.523 63.200 0.023 0.000 0.868 111 S HN 0.410 nan 8.310 nan 0.000 0.506 112 V N 4.044 123.863 119.914 -0.157 0.000 2.295 112 V HA -0.132 3.988 4.120 0.001 0.000 0.246 112 V C 2.970 179.045 176.094 -0.031 0.000 1.049 112 V CA 2.296 64.447 62.300 -0.247 0.000 1.024 112 V CB -1.761 29.796 31.823 -0.445 0.000 0.648 112 V HN 1.044 nan 8.190 nan 0.000 0.447 113 A N 0.522 123.319 122.820 -0.038 0.000 1.902 113 A HA -0.081 4.240 4.320 0.001 0.000 0.217 113 A C 2.401 179.996 177.584 0.018 0.000 1.181 113 A CA 1.925 53.955 52.037 -0.012 0.000 0.623 113 A CB -1.202 17.781 19.000 -0.027 0.000 0.818 113 A HN 0.537 nan 8.150 nan 0.000 0.443 114 G N -0.913 107.907 108.800 0.033 0.000 2.408 114 G HA2 -0.099 3.862 3.960 0.001 0.000 0.217 114 G HA3 -0.099 3.862 3.960 0.001 0.000 0.217 114 G C 1.796 176.754 174.900 0.097 0.000 1.150 114 G CA 1.259 46.392 45.100 0.055 0.000 0.776 114 G HN 0.481 nan 8.290 nan 0.000 0.542 115 S N 0.105 115.885 115.700 0.133 0.000 2.355 115 S HA -0.143 4.328 4.470 0.001 0.000 0.222 115 S C 2.665 177.356 174.600 0.151 0.000 1.031 115 S CA 1.607 59.912 58.200 0.176 0.000 0.993 115 S CB -0.405 62.971 63.200 0.293 0.000 0.859 115 S HN 0.507 nan 8.310 nan 0.000 0.453 116 V N 0.455 120.447 119.914 0.130 0.000 2.809 116 V HA 0.104 4.225 4.120 0.001 0.000 0.256 116 V C 2.171 178.290 176.094 0.041 0.000 1.080 116 V CA 1.255 63.606 62.300 0.085 0.000 1.102 116 V CB -1.376 30.487 31.823 0.067 0.000 0.705 116 V HN 0.387 nan 8.190 nan 0.000 0.475 117 A N 1.636 124.478 122.820 0.036 0.000 2.019 117 A HA -0.118 4.203 4.320 0.001 0.000 0.219 117 A C 2.330 179.918 177.584 0.007 0.000 1.164 117 A CA 2.446 54.481 52.037 -0.004 0.000 0.644 117 A CB -0.847 18.150 19.000 -0.005 0.000 0.805 117 A HN 0.860 nan 8.150 nan 0.000 0.449 118 T N -6.216 108.397 114.554 0.098 0.000 3.003 118 T HA 0.457 4.807 4.350 0.001 0.000 0.261 118 T C 1.096 175.881 174.700 0.141 0.000 1.003 118 T CA 1.009 63.232 62.100 0.205 0.000 0.917 118 T CB 0.518 69.588 68.868 0.337 0.000 1.084 118 T HN 1.695 nan 8.240 nan 0.000 0.522 119 G N 1.446 110.290 108.800 0.073 0.000 2.141 119 G HA2 -0.187 3.774 3.960 0.001 0.000 0.195 119 G HA3 -0.187 3.774 3.960 0.001 0.000 0.195 119 G C 0.016 174.937 174.900 0.035 0.000 1.012 119 G CA -0.239 44.877 45.100 0.027 0.000 0.696 119 G HN 0.644 nan 8.290 nan 0.000 0.508 120 T N 0.983 115.603 114.554 0.110 0.000 2.946 120 T HA 0.497 4.847 4.350 0.001 0.000 0.311 120 T C 0.344 175.104 174.700 0.100 0.000 1.063 120 T CA 1.315 63.513 62.100 0.163 0.000 1.139 120 T CB 0.444 69.383 68.868 0.118 0.000 0.994 120 T HN 1.054 nan 8.240 nan 0.000 0.547 121 H N -0.844 118.253 119.070 0.045 0.000 2.990 121 H HA 0.727 5.284 4.556 0.001 0.000 0.343 121 H C 0.194 175.489 175.328 -0.056 0.000 1.270 121 H CA -1.041 55.001 56.048 -0.011 0.000 1.118 121 H CB 0.811 30.573 29.762 0.000 0.000 1.861 121 H HN 0.658 nan 8.280 nan 0.000 0.544 122 G N -0.398 108.389 108.800 -0.022 0.000 3.134 122 G HA2 0.485 4.446 3.960 0.001 0.000 0.158 122 G HA3 0.485 4.446 3.960 0.001 0.000 0.158 122 G C -0.721 174.236 174.900 0.094 0.000 1.334 122 G CA -0.256 44.806 45.100 -0.062 0.000 1.001 122 G HN 0.672 nan 8.290 nan 0.000 0.600 123 S N -2.330 113.370 115.700 -0.001 0.000 2.709 123 S HA 0.752 5.223 4.470 0.001 0.000 0.302 123 S C -0.381 174.146 174.600 -0.122 0.000 1.127 123 S CA 0.410 58.591 58.200 -0.032 0.000 0.905 123 S CB 1.452 64.622 63.200 -0.049 0.000 1.151 123 S HN 2.164 nan 8.310 nan 0.000 0.510 124 G N 0.110 108.819 108.800 -0.151 0.000 2.931 124 G HA2 -0.029 3.932 3.960 0.001 0.000 0.675 124 G HA3 -0.029 3.932 3.960 0.001 0.000 0.675 124 G C 0.272 175.056 174.900 -0.193 0.000 1.339 124 G CA -0.194 44.769 45.100 -0.229 0.000 0.866 124 G HN 1.532 nan 8.290 nan 0.000 0.616 125 V N 0.250 120.063 119.914 -0.168 0.000 2.594 125 V HA 0.259 4.380 4.120 0.001 0.000 0.253 125 V C 2.087 178.110 176.094 -0.118 0.000 1.069 125 V CA 2.704 64.927 62.300 -0.129 0.000 1.082 125 V CB -0.378 31.378 31.823 -0.112 0.000 0.680 125 V HN 1.902 nan 8.190 nan 0.000 0.469 126 G N 0.101 108.814 108.800 -0.146 0.000 3.277 126 G HA2 0.187 4.147 3.960 0.001 0.000 0.243 126 G HA3 0.187 4.147 3.960 0.001 0.000 0.243 126 G C 0.162 174.985 174.900 -0.128 0.000 1.107 126 G CA -0.357 44.675 45.100 -0.114 0.000 0.771 126 G HN 0.489 nan 8.290 nan 0.000 0.544 127 N N 1.060 119.656 118.700 -0.174 0.000 2.425 127 N HA 0.437 5.178 4.740 0.001 0.000 0.268 127 N C 0.587 176.052 175.510 -0.074 0.000 0.991 127 N CA -0.216 52.742 53.050 -0.153 0.000 0.931 127 N CB 1.864 40.198 38.487 -0.255 0.000 1.130 127 N HN 0.097 nan 8.380 nan 0.000 0.493 128 G N 0.246 109.027 108.800 -0.030 0.000 2.616 128 G HA2 0.244 4.204 3.960 0.001 0.000 0.268 128 G HA3 0.244 4.204 3.960 0.001 0.000 0.268 128 G C 0.394 175.309 174.900 0.025 0.000 1.213 128 G CA -0.415 44.684 45.100 -0.002 0.000 0.926 128 G HN 0.541 nan 8.290 nan 0.000 0.523 129 S N -0.889 114.839 115.700 0.047 0.000 2.598 129 S HA 0.065 4.536 4.470 0.001 0.000 0.256 129 S C 1.617 176.262 174.600 0.076 0.000 1.350 129 S CA -0.467 57.784 58.200 0.085 0.000 0.984 129 S CB 0.503 63.757 63.200 0.089 0.000 0.930 129 S HN 0.414 nan 8.310 nan 0.000 0.577 130 L N 0.617 121.886 121.223 0.078 0.000 2.131 130 L HA -0.069 4.271 4.340 0.001 0.000 0.210 130 L C 2.978 179.919 176.870 0.119 0.000 1.092 130 L CA 1.412 56.304 54.840 0.087 0.000 0.759 130 L CB -1.192 40.905 42.059 0.065 0.000 0.903 130 L HN 0.930 nan 8.230 nan 0.000 0.435 131 A N 0.268 123.144 122.820 0.093 0.000 2.070 131 A HA -0.174 4.147 4.320 0.001 0.000 0.220 131 A C 2.474 180.100 177.584 0.070 0.000 1.159 131 A CA 1.608 53.685 52.037 0.067 0.000 0.656 131 A CB -0.480 18.535 19.000 0.024 0.000 0.800 131 A HN 0.530 nan 8.150 nan 0.000 0.453 132 S N -0.007 115.738 115.700 0.075 0.000 2.474 132 S HA -0.068 4.403 4.470 0.001 0.000 0.235 132 S C 1.485 176.142 174.600 0.095 0.000 0.997 132 S CA 1.165 59.413 58.200 0.079 0.000 0.949 132 S CB -0.859 62.377 63.200 0.061 0.000 0.766 132 S HN 1.010 nan 8.310 nan 0.000 0.517 133 V N -1.079 118.894 119.914 0.098 0.000 3.608 133 V HA 0.391 4.512 4.120 0.001 0.000 0.269 133 V C 0.703 176.861 176.094 0.107 0.000 1.245 133 V CA -0.412 61.944 62.300 0.093 0.000 1.138 133 V CB -0.781 31.095 31.823 0.089 0.000 0.841 133 V HN 0.302 nan 8.190 nan 0.000 0.451 134 V N 3.264 123.261 119.914 0.138 0.000 2.521 134 V HA 0.235 4.356 4.120 0.001 0.000 0.286 134 V C 1.676 177.930 176.094 0.266 0.000 1.034 134 V CA 0.568 62.972 62.300 0.173 0.000 1.045 134 V CB 0.708 32.627 31.823 0.159 0.000 0.974 134 V HN 0.780 nan 8.190 nan 0.000 0.480 135 R N 3.044 123.631 120.500 0.146 0.000 2.335 135 R HA 0.403 4.744 4.340 0.001 0.000 0.210 135 R C 0.419 176.645 176.300 -0.123 0.000 0.892 135 R CA -0.097 55.991 56.100 -0.020 0.000 1.048 135 R CB 0.949 31.210 30.300 -0.065 0.000 1.067 135 R HN 0.686 nan 8.270 nan 0.000 0.524 136 E N 0.925 121.178 120.200 0.090 0.000 2.363 136 E HA 0.283 4.634 4.350 0.001 0.000 0.281 136 E C -1.682 175.019 176.600 0.169 0.000 0.953 136 E CA -0.975 55.485 56.400 0.100 0.000 0.778 136 E CB 2.578 32.278 29.700 0.001 0.000 1.220 136 E HN 0.108 nan 8.360 nan 0.000 0.431 137 V N 0.106 120.132 119.914 0.186 0.000 2.735 137 V HA 0.685 4.805 4.120 0.001 0.000 0.310 137 V C -0.795 175.325 176.094 0.044 0.000 1.061 137 V CA -0.736 61.615 62.300 0.086 0.000 0.913 137 V CB 1.785 33.638 31.823 0.050 0.000 1.005 137 V HN 0.703 nan 8.190 nan 0.000 0.428 138 E N 3.796 124.003 120.200 0.011 0.000 2.145 138 E HA 0.674 5.025 4.350 0.001 0.000 0.270 138 E C -1.355 175.228 176.600 -0.028 0.000 0.906 138 E CA -0.466 55.932 56.400 -0.004 0.000 0.761 138 E CB 2.218 31.916 29.700 -0.004 0.000 1.116 138 E HN 0.672 nan 8.360 nan 0.000 0.408 139 L N 2.840 124.040 121.223 -0.039 0.000 2.346 139 L HA 0.432 4.772 4.340 0.001 0.000 0.276 139 L C -0.584 176.249 176.870 -0.062 0.000 1.006 139 L CA -1.170 53.624 54.840 -0.076 0.000 0.817 139 L CB 1.835 43.831 42.059 -0.105 0.000 1.272 139 L HN 0.277 nan 8.230 nan 0.000 0.421 140 V N 1.955 121.828 119.914 -0.069 0.000 2.408 140 V HA 0.248 4.368 4.120 0.001 0.000 0.267 140 V C 0.713 176.780 176.094 -0.045 0.000 1.047 140 V CA -0.360 61.922 62.300 -0.029 0.000 0.937 140 V CB 1.008 32.834 31.823 0.004 0.000 0.999 140 V HN 0.925 nan 8.190 nan 0.000 0.472 141 T N 2.619 117.178 114.554 0.009 0.000 2.852 141 T HA 0.573 4.924 4.350 0.001 0.000 0.281 141 T C 1.497 176.340 174.700 0.238 0.000 0.993 141 T CA 0.011 62.146 62.100 0.058 0.000 0.933 141 T CB 1.491 70.380 68.868 0.036 0.000 1.187 141 T HN 0.611 nan 8.240 nan 0.000 0.559 142 A N 0.967 123.999 122.820 0.352 0.000 1.948 142 A HA -0.111 4.210 4.320 0.001 0.000 0.220 142 A C 1.787 179.442 177.584 0.118 0.000 1.177 142 A CA 2.023 54.233 52.037 0.288 0.000 0.636 142 A CB -1.204 17.904 19.000 0.180 0.000 0.815 142 A HN 0.973 nan 8.150 nan 0.000 0.449 143 D N -2.588 117.865 120.400 0.089 0.000 2.325 143 D HA 0.314 4.955 4.640 0.001 0.000 0.225 143 D C 1.107 177.435 176.300 0.045 0.000 1.096 143 D CA 0.878 54.907 54.000 0.048 0.000 0.844 143 D CB -0.481 40.338 40.800 0.033 0.000 0.925 143 D HN 0.785 nan 8.370 nan 0.000 0.513 144 G N 0.136 108.974 108.800 0.065 0.000 2.195 144 G HA2 -0.289 3.671 3.960 0.001 0.000 0.246 144 G HA3 -0.289 3.671 3.960 0.001 0.000 0.246 144 G C 0.433 175.355 174.900 0.037 0.000 0.984 144 G CA 0.371 45.501 45.100 0.051 0.000 0.633 144 G HN 0.854 nan 8.290 nan 0.000 0.525 145 S N 0.005 115.725 115.700 0.033 0.000 2.592 145 S HA 0.655 5.126 4.470 0.001 0.000 0.271 145 S C 0.153 174.762 174.600 0.015 0.000 1.326 145 S CA 0.592 58.805 58.200 0.021 0.000 1.024 145 S CB 1.813 65.024 63.200 0.018 0.000 0.921 145 S HN 0.545 nan 8.310 nan 0.000 0.527 146 T N 2.025 116.583 114.554 0.008 0.000 2.837 146 T HA 0.540 4.890 4.350 0.001 0.000 0.285 146 T C -0.626 174.073 174.700 -0.001 0.000 0.984 146 T CA -0.518 61.582 62.100 0.000 0.000 1.049 146 T CB 0.992 69.860 68.868 -0.000 0.000 0.947 146 T HN 0.563 nan 8.240 nan 0.000 0.472 147 V N 4.018 123.927 119.914 -0.007 0.000 2.487 147 V HA 0.446 4.567 4.120 0.001 0.000 0.298 147 V C -0.313 175.780 176.094 -0.002 0.000 1.028 147 V CA -0.760 61.537 62.300 -0.004 0.000 0.860 147 V CB 2.011 33.829 31.823 -0.008 0.000 0.991 147 V HN 0.682 nan 8.190 nan 0.000 0.427 148 V N 6.529 126.447 119.914 0.007 0.000 2.398 148 V HA 0.558 4.679 4.120 0.001 0.000 0.286 148 V C -0.270 175.843 176.094 0.031 0.000 1.026 148 V CA -0.363 61.946 62.300 0.015 0.000 0.868 148 V CB 1.665 33.492 31.823 0.007 0.000 0.982 148 V HN 0.681 nan 8.190 nan 0.000 0.443 149 I N 4.158 124.768 120.570 0.067 0.000 2.447 149 I HA 0.795 4.965 4.170 0.001 0.000 0.287 149 I C 0.073 176.288 176.117 0.164 0.000 1.023 149 I CA -0.490 60.883 61.300 0.123 0.000 1.083 149 I CB 1.892 39.988 38.000 0.160 0.000 1.245 149 I HN 0.670 nan 8.210 nan 0.000 0.434 150 A N 5.805 128.607 122.820 -0.029 0.000 2.386 150 A HA 0.679 5.000 4.320 0.001 0.000 0.308 150 A C -0.298 176.765 177.584 -0.869 0.000 1.128 150 A CA -0.801 51.011 52.037 -0.375 0.000 0.789 150 A CB 1.474 20.337 19.000 -0.227 0.000 1.325 150 A HN 0.789 nan 8.150 nan 0.000 0.437 151 R N -0.206 119.490 120.500 -1.340 0.000 2.585 151 R HA 0.335 4.676 4.340 0.001 0.000 0.275 151 R C 1.242 177.283 176.300 -0.430 0.000 1.018 151 R CA 1.938 57.356 56.100 -1.136 0.000 1.072 151 R CB -0.009 29.867 30.300 -0.707 0.000 0.953 151 R HN 1.827 nan 8.270 nan 0.000 0.419 152 G N 2.813 111.485 108.800 -0.213 0.000 2.308 152 G HA2 -0.259 3.702 3.960 0.001 0.000 0.221 152 G HA3 -0.259 3.702 3.960 0.001 0.000 0.221 152 G C -0.048 174.846 174.900 -0.011 0.000 1.032 152 G CA 0.139 45.195 45.100 -0.074 0.000 0.623 152 G HN 0.711 nan 8.290 nan 0.000 0.506 153 D N 1.877 122.266 120.400 -0.017 0.000 2.455 153 D HA 0.195 4.836 4.640 0.001 0.000 0.241 153 D C 1.845 178.222 176.300 0.129 0.000 1.138 153 D CA 0.558 54.593 54.000 0.058 0.000 0.877 153 D CB 0.685 41.525 40.800 0.067 0.000 1.187 153 D HN 0.670 nan 8.370 nan 0.000 0.451 154 E N 3.048 123.327 120.200 0.132 0.000 2.338 154 E HA -0.170 4.181 4.350 0.001 0.000 0.197 154 E C 1.064 177.827 176.600 0.271 0.000 1.007 154 E CA 0.660 57.176 56.400 0.194 0.000 0.849 154 E CB 0.002 29.801 29.700 0.164 0.000 0.774 154 E HN 0.409 nan 8.360 nan 0.000 0.506 155 R N -0.548 120.069 120.500 0.195 0.000 2.297 155 R HA 0.083 4.423 4.340 0.001 0.000 0.197 155 R C 1.550 177.809 176.300 -0.068 0.000 0.943 155 R CA 0.324 56.511 56.100 0.146 0.000 1.038 155 R CB -0.215 30.145 30.300 0.101 0.000 0.957 155 R HN 0.142 nan 8.270 nan 0.000 0.484 156 F N 1.303 121.166 119.950 -0.145 0.000 2.293 156 F HA 0.005 4.532 4.527 0.001 0.000 0.300 156 F C 2.125 177.678 175.800 -0.412 0.000 1.086 156 F CA 1.286 59.163 58.000 -0.204 0.000 1.375 156 F CB -0.346 38.592 39.000 -0.104 0.000 1.045 156 F HN 0.008 nan 8.300 nan 0.000 0.516 157 G N -0.520 107.887 108.800 -0.655 0.000 2.479 157 G HA2 -0.192 3.768 3.960 0.001 0.000 0.220 157 G HA3 -0.192 3.768 3.960 0.001 0.000 0.220 157 G C 1.717 175.557 174.900 -1.767 0.000 1.115 157 G CA 0.715 45.052 45.100 -1.272 0.000 0.757 157 G HN 0.572 nan 8.290 nan 0.000 0.560 158 G N -0.624 107.191 108.800 -1.642 0.000 3.159 158 G HA2 0.415 4.376 3.960 0.001 0.000 0.232 158 G HA3 0.415 4.376 3.960 0.001 0.000 0.232 158 G C 1.263 176.016 174.900 -0.244 0.000 1.116 158 G CA 0.990 45.724 45.100 -0.610 0.000 0.767 158 G HN 0.506 nan 8.290 nan 0.000 0.547 159 A N -0.280 122.263 122.820 -0.463 0.000 2.169 159 A HA 0.503 4.824 4.320 0.001 0.000 0.210 159 A C 1.986 179.379 177.584 -0.318 0.000 1.168 159 A CA 0.820 52.663 52.037 -0.322 0.000 0.813 159 A CB 0.242 19.063 19.000 -0.300 0.000 0.861 159 A HN 0.166 nan 8.150 nan 0.000 0.481 160 V N -1.111 118.548 119.914 -0.425 0.000 2.599 160 V HA 0.020 4.140 4.120 0.001 0.000 0.237 160 V C 1.047 177.037 176.094 -0.174 0.000 1.081 160 V CA 1.446 63.567 62.300 -0.298 0.000 1.107 160 V CB -0.545 31.067 31.823 -0.352 0.000 0.808 160 V HN 0.324 nan 8.190 nan 0.000 0.486 161 T N 1.525 115.970 114.554 -0.181 0.000 3.364 161 T HA 0.233 4.584 4.350 0.001 0.000 0.323 161 T C 0.680 175.245 174.700 -0.224 0.000 1.323 161 T CA 0.195 62.212 62.100 -0.139 0.000 1.073 161 T CB 0.286 69.107 68.868 -0.079 0.000 1.150 161 T HN 0.302 nan 8.240 nan 0.000 0.727 162 S N 2.117 117.715 115.700 -0.170 0.000 2.650 162 S HA 0.233 4.703 4.470 0.001 0.000 0.240 162 S C 1.034 175.545 174.600 -0.148 0.000 1.007 162 S CA -0.505 57.627 58.200 -0.114 0.000 0.984 162 S CB -0.216 63.060 63.200 0.125 0.000 0.910 162 S HN 0.754 nan 8.310 nan 0.000 0.509 163 L N 0.822 121.910 121.223 -0.225 0.000 3.976 163 L HA -0.286 4.055 4.340 0.001 0.000 0.418 163 L C 1.178 178.017 176.870 -0.051 0.000 1.177 163 L CA 0.199 54.934 54.840 -0.174 0.000 0.968 163 L CB -2.468 39.423 42.059 -0.280 0.000 1.933 163 L HN 0.554 nan 8.230 nan 0.000 0.976 164 G N -1.006 107.772 108.800 -0.038 0.000 2.187 164 G HA2 -0.235 3.726 3.960 0.001 0.000 0.261 164 G HA3 -0.235 3.726 3.960 0.001 0.000 0.261 164 G C 0.792 175.696 174.900 0.007 0.000 1.000 164 G CA 0.620 45.702 45.100 -0.030 0.000 0.718 164 G HN 1.118 nan 8.290 nan 0.000 0.519 165 A N -0.883 121.985 122.820 0.079 0.000 2.275 165 A HA 0.649 4.970 4.320 0.001 0.000 0.212 165 A C 1.986 179.610 177.584 0.067 0.000 1.201 165 A CA 1.010 53.145 52.037 0.163 0.000 0.843 165 A CB -0.009 19.153 19.000 0.271 0.000 0.873 165 A HN 0.634 nan 8.150 nan 0.000 0.492 166 L N -1.763 119.399 121.223 -0.102 0.000 2.638 166 L HA 0.428 4.769 4.340 0.001 0.000 0.232 166 L C 1.108 177.690 176.870 -0.480 0.000 1.099 166 L CA 0.487 55.212 54.840 -0.190 0.000 0.883 166 L CB 0.179 42.154 42.059 -0.139 0.000 1.136 166 L HN 0.494 nan 8.230 nan 0.000 0.492 167 G N -0.330 107.868 108.800 -1.004 0.000 2.357 167 G HA2 0.055 4.016 3.960 0.001 0.000 0.289 167 G HA3 0.055 4.016 3.960 0.001 0.000 0.289 167 G C -1.493 172.906 174.900 -0.835 0.000 1.302 167 G CA -0.847 43.358 45.100 -1.491 0.000 0.936 167 G HN -0.316 nan 8.290 nan 0.000 0.513 168 V N 0.711 120.325 119.914 -0.500 0.000 2.385 168 V HA 0.429 4.549 4.120 0.001 0.000 0.269 168 V C 0.727 176.736 176.094 -0.142 0.000 1.043 168 V CA -0.554 61.624 62.300 -0.203 0.000 0.906 168 V CB 1.176 32.967 31.823 -0.053 0.000 0.995 168 V HN 0.713 nan 8.190 nan 0.000 0.467 169 V N 5.865 125.711 119.914 -0.113 0.000 2.415 169 V HA 0.079 4.199 4.120 0.001 0.000 0.267 169 V C 1.537 177.602 176.094 -0.049 0.000 1.042 169 V CA 0.685 62.939 62.300 -0.076 0.000 1.000 169 V CB 0.802 32.585 31.823 -0.066 0.000 1.015 169 V HN 1.106 nan 8.190 nan 0.000 0.478 170 T N 0.898 115.430 114.554 -0.038 0.000 3.009 170 T HA 0.126 4.476 4.350 0.001 0.000 0.258 170 T C 0.717 175.405 174.700 -0.019 0.000 1.063 170 T CA 0.260 62.346 62.100 -0.023 0.000 1.139 170 T CB 0.273 69.132 68.868 -0.015 0.000 0.890 170 T HN 0.512 nan 8.240 nan 0.000 0.471 171 S N 0.064 115.753 115.700 -0.018 0.000 2.570 171 S HA 0.751 5.222 4.470 0.001 0.000 0.270 171 S C -1.809 172.786 174.600 -0.009 0.000 1.149 171 S CA -0.927 57.265 58.200 -0.015 0.000 0.837 171 S CB 1.893 65.088 63.200 -0.009 0.000 1.124 171 S HN 0.258 nan 8.310 nan 0.000 0.465 172 L N 1.065 122.284 121.223 -0.007 0.000 2.393 172 L HA 0.697 5.038 4.340 0.001 0.000 0.260 172 L C -0.337 176.540 176.870 0.012 0.000 1.002 172 L CA -0.451 54.395 54.840 0.011 0.000 0.818 172 L CB 2.070 44.134 42.059 0.007 0.000 1.369 172 L HN 0.568 nan 8.230 nan 0.000 0.412 173 T N 2.434 117.006 114.554 0.029 0.000 2.779 173 T HA 0.779 5.130 4.350 0.001 0.000 0.280 173 T C -0.761 173.960 174.700 0.036 0.000 0.987 173 T CA -0.351 61.761 62.100 0.021 0.000 0.966 173 T CB 1.121 69.995 68.868 0.009 0.000 0.933 173 T HN 0.131 nan 8.240 nan 0.000 0.442 174 L N 2.861 124.101 121.223 0.029 0.000 2.342 174 L HA 0.499 4.840 4.340 0.001 0.000 0.271 174 L C 0.091 176.977 176.870 0.026 0.000 1.008 174 L CA -0.687 54.179 54.840 0.043 0.000 0.818 174 L CB 1.547 43.638 42.059 0.053 0.000 1.296 174 L HN 0.527 nan 8.230 nan 0.000 0.427 175 D N 2.352 122.769 120.400 0.029 0.000 2.302 175 D HA 0.549 5.190 4.640 0.001 0.000 0.248 175 D C -0.409 175.893 176.300 0.003 0.000 1.094 175 D CA 0.069 54.075 54.000 0.010 0.000 0.897 175 D CB 1.423 42.230 40.800 0.011 0.000 1.200 175 D HN 0.234 nan 8.370 nan 0.000 0.429 176 L N 0.924 122.136 121.223 -0.018 0.000 2.309 176 L HA 0.475 4.816 4.340 0.001 0.000 0.261 176 L C 0.337 177.174 176.870 -0.055 0.000 1.021 176 L CA -0.883 53.929 54.840 -0.046 0.000 0.823 176 L CB 2.035 44.063 42.059 -0.051 0.000 1.366 176 L HN 0.411 nan 8.230 nan 0.000 0.423 177 E N 0.012 120.162 120.200 -0.084 0.000 2.378 177 E HA 0.582 4.933 4.350 0.001 0.000 0.265 177 E C -2.833 173.723 176.600 -0.073 0.000 0.932 177 E CA -2.428 53.931 56.400 -0.069 0.000 0.795 177 E CB 1.718 31.374 29.700 -0.073 0.000 1.296 177 E HN 0.143 nan 8.360 nan 0.000 0.438 178 P HA 0.026 nan 4.420 nan 0.000 0.266 178 P C -0.639 176.668 177.300 0.011 0.000 1.195 178 P CA 0.175 63.261 63.100 -0.022 0.000 0.768 178 P CB 0.497 32.194 31.700 -0.006 0.000 0.838 179 A N 3.544 126.356 122.820 -0.013 0.000 2.565 179 A HA 0.321 4.642 4.320 0.001 0.000 0.237 179 A C -0.340 177.345 177.584 0.168 0.000 1.053 179 A CA 0.615 52.662 52.037 0.015 0.000 0.755 179 A CB -0.902 18.189 19.000 0.152 0.000 0.980 179 A HN 0.606 nan 8.150 nan 0.000 0.506 180 Y N -0.908 119.449 120.300 0.096 0.000 2.581 180 Y HA 0.761 5.312 4.550 0.001 0.000 0.345 180 Y C -0.421 175.614 175.900 0.224 0.000 1.036 180 Y CA -1.161 56.997 58.100 0.097 0.000 1.042 180 Y CB 1.152 39.584 38.460 -0.047 0.000 1.289 180 Y HN 0.736 nan 8.280 nan 0.000 0.471 181 E N 2.712 123.064 120.200 0.253 0.000 2.222 181 E HA 0.666 5.017 4.350 0.001 0.000 0.272 181 E C -1.374 175.326 176.600 0.167 0.000 0.982 181 E CA -0.921 55.572 56.400 0.155 0.000 0.842 181 E CB 1.337 31.108 29.700 0.118 0.000 1.144 181 E HN 0.815 nan 8.360 nan 0.000 0.397 182 M N 1.909 121.567 119.600 0.098 0.000 2.575 182 M HA 0.377 4.857 4.480 0.001 0.000 0.284 182 M C -1.231 175.094 176.300 0.041 0.000 1.253 182 M CA -0.730 54.630 55.300 0.099 0.000 0.861 182 M CB 2.611 35.287 32.600 0.126 0.000 1.733 182 M HN 0.431 nan 8.290 nan 0.000 0.462 183 E N 1.232 121.464 120.200 0.054 0.000 2.238 183 E HA 0.426 4.777 4.350 0.001 0.000 0.267 183 E C -1.487 175.082 176.600 -0.053 0.000 0.887 183 E CA -0.746 55.634 56.400 -0.034 0.000 0.769 183 E CB 3.014 32.731 29.700 0.029 0.000 1.187 183 E HN 0.466 nan 8.360 nan 0.000 0.416 184 Q N 2.192 121.858 119.800 -0.224 0.000 2.333 184 Q HA 0.297 4.638 4.340 0.001 0.000 0.268 184 Q C -1.551 174.169 176.000 -0.468 0.000 1.007 184 Q CA -0.681 54.995 55.803 -0.213 0.000 0.810 184 Q CB 0.867 29.484 28.738 -0.202 0.000 1.264 184 Q HN 0.541 nan 8.270 nan 0.000 0.452 185 H N 1.581 120.506 119.070 -0.242 0.000 2.539 185 H HA 0.463 5.020 4.556 0.001 0.000 0.332 185 H C -0.880 174.124 175.328 -0.540 0.000 1.031 185 H CA -0.532 55.283 56.048 -0.388 0.000 1.206 185 H CB 1.582 31.238 29.762 -0.178 0.000 1.446 185 H HN 0.306 nan 8.280 nan 0.000 0.496 186 V N 4.389 123.846 119.914 -0.762 0.000 2.630 186 V HA 0.449 4.570 4.120 0.001 0.000 0.305 186 V C -0.514 175.107 176.094 -0.788 0.000 1.046 186 V CA -0.641 61.220 62.300 -0.731 0.000 0.934 186 V CB 0.982 32.208 31.823 -0.995 0.000 1.003 186 V HN 0.564 nan 8.190 nan 0.000 0.451 187 F N 0.747 120.603 119.950 -0.156 0.000 2.603 187 F HA 0.714 5.241 4.527 0.001 0.000 0.317 187 F C 0.303 176.134 175.800 0.051 0.000 1.066 187 F CA -0.694 57.299 58.000 -0.013 0.000 0.941 187 F CB 2.466 41.514 39.000 0.081 0.000 1.291 187 F HN 0.523 nan 8.300 nan 0.000 0.472 188 T N -1.597 113.113 114.554 0.260 0.000 2.887 188 T HA 0.540 4.891 4.350 0.001 0.000 0.288 188 T C -0.978 173.845 174.700 0.206 0.000 1.021 188 T CA -0.810 61.405 62.100 0.192 0.000 1.000 188 T CB 1.838 70.773 68.868 0.111 0.000 1.034 188 T HN 0.562 nan 8.240 nan 0.000 0.467 189 E N 0.131 120.441 120.200 0.182 0.000 2.613 189 E HA -0.156 4.195 4.350 0.001 0.000 0.161 189 E C -1.056 175.660 176.600 0.192 0.000 1.664 189 E CA 0.092 56.588 56.400 0.160 0.000 0.661 189 E CB -1.312 28.459 29.700 0.118 0.000 1.098 189 E HN 0.741 nan 8.360 nan 0.000 0.364 190 L N 2.832 124.200 121.223 0.242 0.000 2.255 190 L HA 0.433 4.774 4.340 0.001 0.000 0.289 190 L C -2.320 174.716 176.870 0.277 0.000 1.046 190 L CA -1.586 53.408 54.840 0.257 0.000 0.816 190 L CB 0.965 43.185 42.059 0.270 0.000 1.197 190 L HN -0.078 nan 8.230 nan 0.000 0.427 191 P HA 0.048 nan 4.420 nan 0.000 0.272 191 P C 0.280 177.710 177.300 0.216 0.000 1.223 191 P CA -0.336 62.857 63.100 0.156 0.000 0.784 191 P CB 0.818 32.587 31.700 0.114 0.000 0.923 192 L N 2.666 123.969 121.223 0.134 0.000 2.209 192 L HA 0.219 4.560 4.340 0.001 0.000 0.207 192 L C 0.844 177.812 176.870 0.163 0.000 1.094 192 L CA 0.955 55.893 54.840 0.163 0.000 0.790 192 L CB -1.138 40.903 42.059 -0.029 0.000 0.932 192 L HN 0.326 nan 8.230 nan 0.000 0.447 193 A N -0.247 122.651 122.820 0.130 0.000 2.524 193 A HA 0.428 4.748 4.320 0.001 0.000 0.250 193 A C 1.479 179.134 177.584 0.118 0.000 1.078 193 A CA 0.404 52.519 52.037 0.130 0.000 0.761 193 A CB -0.999 18.058 19.000 0.095 0.000 1.012 193 A HN 1.106 nan 8.150 nan 0.000 0.500 194 G N 0.994 109.862 108.800 0.114 0.000 2.179 194 G HA2 -0.184 3.776 3.960 0.001 0.000 0.260 194 G HA3 -0.184 3.776 3.960 0.001 0.000 0.260 194 G C 0.214 175.170 174.900 0.094 0.000 0.977 194 G CA 0.395 45.549 45.100 0.089 0.000 0.641 194 G HN 1.476 nan 8.290 nan 0.000 0.533 195 L N 2.961 124.262 121.223 0.129 0.000 2.404 195 L HA 0.479 4.820 4.340 0.001 0.000 0.277 195 L C 0.552 177.498 176.870 0.126 0.000 1.184 195 L CA -0.589 54.328 54.840 0.128 0.000 1.013 195 L CB -0.281 41.894 42.059 0.193 0.000 1.318 195 L HN 0.367 nan 8.230 nan 0.000 0.435 196 D N 3.463 123.912 120.400 0.081 0.000 2.423 196 D HA 0.315 4.956 4.640 0.001 0.000 0.255 196 D C -1.987 174.356 176.300 0.070 0.000 1.174 196 D CA -2.217 51.821 54.000 0.063 0.000 1.008 196 D CB 0.088 40.911 40.800 0.039 0.000 1.101 196 D HN 0.128 nan 8.370 nan 0.000 0.516 197 P HA -0.162 nan 4.420 nan 0.000 0.216 197 P C 1.267 178.613 177.300 0.077 0.000 1.153 197 P CA 2.613 65.752 63.100 0.065 0.000 0.858 197 P CB -0.115 31.602 31.700 0.029 0.000 0.789 198 A N -0.887 121.954 122.820 0.035 0.000 1.883 198 A HA -0.204 4.117 4.320 0.001 0.000 0.217 198 A C 2.261 179.829 177.584 -0.027 0.000 1.186 198 A CA 2.657 54.699 52.037 0.009 0.000 0.624 198 A CB -1.894 17.108 19.000 0.003 0.000 0.822 198 A HN 0.187 nan 8.150 nan 0.000 0.444 199 T N -1.019 113.510 114.554 -0.041 0.000 2.821 199 T HA -0.088 4.263 4.350 0.001 0.000 0.267 199 T C 1.606 176.185 174.700 -0.201 0.000 1.046 199 T CA 1.371 63.364 62.100 -0.178 0.000 1.139 199 T CB -0.377 68.389 68.868 -0.170 0.000 0.871 199 T HN 0.440 nan 8.240 nan 0.000 0.454 200 F N 2.054 121.897 119.950 -0.179 0.000 2.126 200 F HA -0.101 4.427 4.527 0.001 0.000 0.299 200 F C 2.441 178.147 175.800 -0.156 0.000 1.096 200 F CA 1.711 59.611 58.000 -0.166 0.000 1.255 200 F CB -0.217 38.722 39.000 -0.102 0.000 0.997 200 F HN 0.180 nan 8.300 nan 0.000 0.479 201 E N -0.761 119.394 120.200 -0.076 0.000 2.077 201 E HA -0.191 4.159 4.350 0.001 0.000 0.193 201 E C 2.015 178.488 176.600 -0.213 0.000 0.989 201 E CA 1.830 58.143 56.400 -0.146 0.000 0.800 201 E CB -0.268 29.416 29.700 -0.027 0.000 0.746 201 E HN 0.384 nan 8.360 nan 0.000 0.452 202 T N 0.510 114.950 114.554 -0.191 0.000 2.684 202 T HA -0.148 4.202 4.350 0.001 0.000 0.267 202 T C 1.913 176.489 174.700 -0.207 0.000 1.036 202 T CA 1.459 63.455 62.100 -0.174 0.000 1.148 202 T CB -0.259 68.507 68.868 -0.171 0.000 0.863 202 T HN 0.038 nan 8.240 nan 0.000 0.436 203 V N 1.740 121.442 119.914 -0.355 0.000 2.287 203 V HA -0.170 3.951 4.120 0.001 0.000 0.248 203 V C 2.527 178.479 176.094 -0.236 0.000 1.053 203 V CA 1.442 63.597 62.300 -0.241 0.000 1.027 203 V CB -0.516 31.092 31.823 -0.358 0.000 0.646 203 V HN 0.450 nan 8.190 nan 0.000 0.447 204 M N -0.329 119.001 119.600 -0.451 0.000 2.394 204 M HA 0.043 4.524 4.480 0.001 0.000 0.264 204 M C 1.897 178.052 176.300 -0.241 0.000 1.073 204 M CA 1.554 56.603 55.300 -0.417 0.000 1.111 204 M CB -1.272 30.962 32.600 -0.610 0.000 1.401 204 M HN 0.398 nan 8.290 nan 0.000 0.448 205 A N -0.705 122.006 122.820 -0.182 0.000 2.387 205 A HA 0.529 4.849 4.320 0.001 0.000 0.234 205 A C 2.040 179.596 177.584 -0.047 0.000 1.253 205 A CA 0.652 52.625 52.037 -0.106 0.000 0.894 205 A CB -0.445 18.501 19.000 -0.090 0.000 0.963 205 A HN 0.356 nan 8.150 nan 0.000 0.508 206 A N -0.715 122.089 122.820 -0.027 0.000 2.119 206 A HA 0.557 4.878 4.320 0.001 0.000 0.217 206 A C 1.149 178.749 177.584 0.025 0.000 1.153 206 A CA 1.297 53.361 52.037 0.044 0.000 0.692 206 A CB -0.280 18.817 19.000 0.162 0.000 0.799 206 A HN 1.314 nan 8.150 nan 0.000 0.458 207 A N -3.219 119.606 122.820 0.010 0.000 2.602 207 A HA 0.520 4.841 4.320 0.001 0.000 0.290 207 A C 0.244 177.881 177.584 0.089 0.000 1.114 207 A CA -0.089 51.986 52.037 0.062 0.000 0.683 207 A CB -0.411 18.629 19.000 0.066 0.000 1.281 207 A HN 0.398 nan 8.150 nan 0.000 0.416 208 Y N 1.016 121.324 120.300 0.013 0.000 2.151 208 Y HA 0.001 4.552 4.550 0.001 0.000 0.284 208 Y C 1.147 177.055 175.900 0.014 0.000 1.166 208 Y CA 2.530 60.636 58.100 0.010 0.000 1.163 208 Y CB 0.155 38.636 38.460 0.034 0.000 0.974 208 Y HN 0.725 nan 8.280 nan 0.000 0.511 209 S N -0.031 115.714 115.700 0.075 0.000 2.614 209 S HA 0.663 5.134 4.470 0.001 0.000 0.288 209 S C -1.762 172.851 174.600 0.023 0.000 1.137 209 S CA -0.681 57.511 58.200 -0.014 0.000 0.992 209 S CB 1.123 64.360 63.200 0.062 0.000 1.026 209 S HN -0.056 nan 8.310 nan 0.000 0.486 210 V N 3.952 123.836 119.914 -0.049 0.000 2.588 210 V HA 0.639 4.760 4.120 0.001 0.000 0.304 210 V C -0.270 175.747 176.094 -0.130 0.000 1.042 210 V CA -0.625 61.632 62.300 -0.072 0.000 0.877 210 V CB 2.014 33.754 31.823 -0.138 0.000 0.996 210 V HN 0.873 nan 8.190 nan 0.000 0.425 211 S N 4.931 120.547 115.700 -0.140 0.000 2.503 211 S HA 0.773 5.244 4.470 0.001 0.000 0.301 211 S C -0.611 173.725 174.600 -0.439 0.000 1.087 211 S CA -0.589 57.383 58.200 -0.380 0.000 1.042 211 S CB 1.464 64.298 63.200 -0.609 0.000 1.043 211 S HN 0.525 nan 8.310 nan 0.000 0.489 212 L N 2.598 123.480 121.223 -0.569 0.000 2.322 212 L HA 0.660 5.001 4.340 0.001 0.000 0.279 212 L C -1.247 175.211 176.870 -0.686 0.000 1.036 212 L CA -0.594 53.948 54.840 -0.497 0.000 0.807 212 L CB 0.689 42.354 42.059 -0.656 0.000 1.226 212 L HN 0.518 nan 8.230 nan 0.000 0.433 213 F N 0.100 119.994 119.950 -0.092 0.000 2.551 213 F HA 0.656 5.184 4.527 0.001 0.000 0.316 213 F C 0.323 176.100 175.800 -0.039 0.000 1.089 213 F CA -0.518 57.418 58.000 -0.107 0.000 0.915 213 F CB 2.383 41.285 39.000 -0.163 0.000 1.186 213 F HN 0.322 nan 8.300 nan 0.000 0.456 214 T N 0.200 114.746 114.554 -0.014 0.000 2.868 214 T HA 0.289 4.640 4.350 0.001 0.000 0.306 214 T C -0.359 174.179 174.700 -0.270 0.000 1.224 214 T CA -0.630 61.314 62.100 -0.259 0.000 1.012 214 T CB 1.256 69.660 68.868 -0.773 0.000 1.221 214 T HN 0.669 nan 8.240 nan 0.000 0.499 215 D N 0.439 120.729 120.400 -0.184 0.000 2.349 215 D HA 0.042 4.683 4.640 0.001 0.000 0.214 215 D C 0.492 176.859 176.300 0.111 0.000 1.063 215 D CA -0.102 53.888 54.000 -0.016 0.000 0.847 215 D CB -0.402 40.420 40.800 0.037 0.000 0.933 215 D HN 0.809 nan 8.370 nan 0.000 0.513 216 W N 0.595 121.911 121.300 0.027 0.000 4.849 216 W HA -0.289 4.371 4.660 0.001 0.000 0.358 216 W C 1.209 177.743 176.519 0.024 0.000 1.331 216 W CA -0.021 57.334 57.345 0.016 0.000 0.844 216 W CB -1.605 27.906 29.460 0.085 0.000 2.434 216 W HN 0.068 nan 8.180 nan 0.000 1.458 217 R N 0.127 120.725 120.500 0.164 0.000 1.806 217 R HA 0.552 4.892 4.340 0.001 0.000 0.156 217 R C 1.420 177.772 176.300 0.086 0.000 1.954 217 R CA 0.116 56.289 56.100 0.122 0.000 1.548 217 R CB -0.732 29.622 30.300 0.090 0.000 1.149 217 R HN 0.020 nan 8.270 nan 0.000 0.478 218 A N 2.673 125.520 122.820 0.046 0.000 2.483 218 A HA 0.215 4.536 4.320 0.001 0.000 0.238 218 A C -2.155 175.435 177.584 0.011 0.000 1.070 218 A CA -0.846 51.210 52.037 0.031 0.000 0.770 218 A CB -0.474 18.538 19.000 0.022 0.000 1.008 218 A HN 0.124 nan 8.150 nan 0.000 0.497 219 P HA 0.353 nan 4.420 nan 0.000 0.265 219 P C 0.798 178.044 177.300 -0.091 0.000 1.187 219 P CA 1.931 65.027 63.100 -0.006 0.000 0.766 219 P CB 0.342 32.055 31.700 0.022 0.000 0.820 220 G N 1.155 109.814 108.800 -0.235 0.000 2.587 220 G HA2 -0.123 3.838 3.960 0.001 0.000 0.212 220 G HA3 -0.123 3.838 3.960 0.001 0.000 0.212 220 G C -1.276 173.212 174.900 -0.685 0.000 1.327 220 G CA -0.894 43.976 45.100 -0.383 0.000 0.898 220 G HN 0.328 nan 8.290 nan 0.000 0.551 221 F N 0.920 120.815 119.950 -0.092 0.000 2.469 221 F HA 0.652 5.180 4.527 0.001 0.000 0.332 221 F C 1.702 177.486 175.800 -0.026 0.000 1.103 221 F CA -1.052 56.875 58.000 -0.121 0.000 0.979 221 F CB 1.853 40.801 39.000 -0.086 0.000 1.137 221 F HN 0.340 nan 8.300 nan 0.000 0.463 222 R N 1.035 121.610 120.500 0.126 0.000 2.073 222 R HA 0.045 4.386 4.340 0.001 0.000 0.229 222 R C -0.213 176.206 176.300 0.198 0.000 1.120 222 R CA 0.915 57.090 56.100 0.125 0.000 0.967 222 R CB -0.165 30.183 30.300 0.079 0.000 0.862 222 R HN 0.702 nan 8.270 nan 0.000 0.436 223 Q N -0.372 119.597 119.800 0.282 0.000 2.416 223 Q HA 0.505 4.846 4.340 0.001 0.000 0.281 223 Q C -1.522 174.718 176.000 0.400 0.000 1.067 223 Q CA -0.679 55.340 55.803 0.360 0.000 0.809 223 Q CB 3.513 32.529 28.738 0.464 0.000 1.418 223 Q HN -0.187 nan 8.270 nan 0.000 0.411 224 V N 0.947 121.107 119.914 0.411 0.000 2.531 224 V HA 0.458 4.579 4.120 0.001 0.000 0.301 224 V C -1.505 174.852 176.094 0.438 0.000 1.034 224 V CA -0.758 61.730 62.300 0.314 0.000 0.865 224 V CB 1.179 33.090 31.823 0.146 0.000 0.995 224 V HN 0.661 nan 8.190 nan 0.000 0.424 225 W N 5.199 126.504 121.300 0.010 0.000 2.376 225 W HA 0.728 5.389 4.660 0.001 0.000 0.312 225 W C -0.844 175.649 176.519 -0.044 0.000 1.060 225 W CA -1.038 56.303 57.345 -0.005 0.000 1.221 225 W CB 1.381 30.843 29.460 0.004 0.000 1.281 225 W HN 0.256 nan 8.180 nan 0.000 0.456 226 L N 4.277 125.587 121.223 0.145 0.000 2.280 226 L HA 0.368 4.709 4.340 0.001 0.000 0.287 226 L C 0.020 176.981 176.870 0.152 0.000 1.023 226 L CA -1.112 53.781 54.840 0.087 0.000 0.819 226 L CB 0.906 42.984 42.059 0.031 0.000 1.212 226 L HN 0.207 nan 8.230 nan 0.000 0.420 227 K N 4.270 124.771 120.400 0.168 0.000 2.347 227 K HA 0.420 4.741 4.320 0.001 0.000 0.262 227 K C -0.299 176.435 176.600 0.223 0.000 1.052 227 K CA -0.599 55.805 56.287 0.195 0.000 0.946 227 K CB 1.463 34.100 32.500 0.228 0.000 1.220 227 K HN 0.358 nan 8.250 nan 0.000 0.450 228 R N 3.357 123.980 120.500 0.204 0.000 2.407 228 R HA 0.289 4.630 4.340 0.001 0.000 0.303 228 R C -0.643 175.743 176.300 0.144 0.000 0.981 228 R CA -0.633 55.577 56.100 0.182 0.000 0.905 228 R CB 0.899 31.303 30.300 0.173 0.000 1.099 228 R HN 0.581 nan 8.270 nan 0.000 0.459 229 R N 1.334 121.884 120.500 0.083 0.000 2.389 229 R HA 0.041 4.381 4.340 0.001 0.000 0.295 229 R C 1.353 177.685 176.300 0.054 0.000 1.075 229 R CA 0.326 56.441 56.100 0.025 0.000 1.005 229 R CB 0.933 31.131 30.300 -0.170 0.000 0.987 229 R HN 0.763 nan 8.270 nan 0.000 0.452 230 T N -2.009 112.593 114.554 0.079 0.000 3.007 230 T HA -0.141 4.210 4.350 0.001 0.000 0.270 230 T C 1.068 175.795 174.700 0.045 0.000 1.107 230 T CA 1.188 63.329 62.100 0.069 0.000 1.118 230 T CB -0.122 68.790 68.868 0.074 0.000 0.889 230 T HN 0.667 nan 8.240 nan 0.000 0.506 231 D N 0.773 121.189 120.400 0.027 0.000 2.319 231 D HA 0.028 4.669 4.640 0.001 0.000 0.230 231 D C 0.608 176.902 176.300 -0.009 0.000 1.094 231 D CA -0.218 53.785 54.000 0.005 0.000 0.856 231 D CB -0.017 40.779 40.800 -0.007 0.000 0.915 231 D HN 0.290 nan 8.370 nan 0.000 0.517 232 R N 0.226 120.727 120.500 0.002 0.000 2.837 232 R HA 0.489 4.830 4.340 0.001 0.000 0.271 232 R C -2.826 173.488 176.300 0.022 0.000 0.993 232 R CA -1.926 54.178 56.100 0.008 0.000 0.931 232 R CB 0.685 30.992 30.300 0.012 0.000 1.206 232 R HN -0.021 nan 8.270 nan 0.000 0.474 233 P HA 0.136 nan 4.420 nan 0.000 0.269 233 P C -0.798 176.517 177.300 0.024 0.000 1.209 233 P CA -0.450 62.662 63.100 0.020 0.000 0.776 233 P CB 0.482 32.192 31.700 0.016 0.000 0.876 234 L N 3.007 124.240 121.223 0.017 0.000 2.342 234 L HA 0.426 4.767 4.340 0.001 0.000 0.276 234 L C -0.754 176.120 176.870 0.006 0.000 0.997 234 L CA -0.489 54.354 54.840 0.005 0.000 0.838 234 L CB 0.829 42.868 42.059 -0.032 0.000 1.224 234 L HN 0.150 nan 8.230 nan 0.000 0.416 235 D N 2.917 123.330 120.400 0.021 0.000 2.358 235 D HA 0.392 5.033 4.640 0.001 0.000 0.244 235 D C 0.420 176.738 176.300 0.029 0.000 1.163 235 D CA 0.296 54.309 54.000 0.022 0.000 0.945 235 D CB 0.996 41.813 40.800 0.028 0.000 1.152 235 D HN 0.751 nan 8.370 nan 0.000 0.451 236 G N -0.065 108.740 108.800 0.009 0.000 2.474 236 G HA2 0.116 4.077 3.960 0.001 0.000 0.233 236 G HA3 0.116 4.077 3.960 0.001 0.000 0.233 236 G C -0.715 174.192 174.900 0.011 0.000 1.278 236 G CA -0.178 44.928 45.100 0.010 0.000 0.861 236 G HN 0.347 nan 8.290 nan 0.000 0.567 237 F N 4.767 124.618 119.950 -0.165 0.000 2.363 237 F HA 0.431 4.959 4.527 0.001 0.000 0.366 237 F C -1.274 174.295 175.800 -0.386 0.000 1.083 237 F CA -2.516 55.297 58.000 -0.311 0.000 1.176 237 F CB 2.117 40.779 39.000 -0.562 0.000 1.432 237 F HN 0.324 nan 8.300 nan 0.000 0.482 238 P HA -0.069 nan 4.420 nan 0.000 0.241 238 P C 0.621 177.526 177.300 -0.658 0.000 1.191 238 P CA 0.899 63.601 63.100 -0.664 0.000 0.771 238 P CB -0.102 31.190 31.700 -0.680 0.000 0.929 239 Y N 0.448 120.358 120.300 -0.650 0.000 2.544 239 Y HA 0.384 4.935 4.550 0.001 0.000 0.286 239 Y C 1.475 177.271 175.900 -0.173 0.000 1.141 239 Y CA 0.171 57.989 58.100 -0.470 0.000 1.299 239 Y CB -0.151 37.890 38.460 -0.698 0.000 1.030 239 Y HN -0.017 nan 8.280 nan 0.000 0.543 240 A N -0.425 122.439 122.820 0.075 0.000 2.609 240 A HA 0.823 5.144 4.320 0.001 0.000 0.291 240 A C -1.122 176.672 177.584 0.350 0.000 1.096 240 A CA -0.606 51.580 52.037 0.248 0.000 0.684 240 A CB 0.253 19.479 19.000 0.376 0.000 1.282 240 A HN 0.082 nan 8.150 nan 0.000 0.412 241 A N 1.624 124.628 122.820 0.307 0.000 2.354 241 A HA 0.712 5.032 4.320 0.001 0.000 0.269 241 A C -2.456 175.326 177.584 0.330 0.000 1.109 241 A CA -1.435 50.764 52.037 0.270 0.000 0.800 241 A CB -0.411 18.684 19.000 0.158 0.000 1.045 241 A HN 0.512 nan 8.150 nan 0.000 0.489 242 P HA 0.236 nan 4.420 nan 0.000 0.268 242 P C -0.082 177.153 177.300 -0.109 0.000 1.204 242 P CA 0.174 63.222 63.100 -0.086 0.000 0.768 242 P CB 0.590 32.256 31.700 -0.057 0.000 0.842 243 A N 3.160 125.816 122.820 -0.273 0.000 2.511 243 A HA 0.332 4.653 4.320 0.001 0.000 0.242 243 A C 1.510 179.070 177.584 -0.041 0.000 1.069 243 A CA 0.428 52.350 52.037 -0.193 0.000 0.763 243 A CB -0.298 18.468 19.000 -0.390 0.000 1.001 243 A HN 0.600 nan 8.150 nan 0.000 0.498 244 A N 2.140 124.981 122.820 0.035 0.000 2.095 244 A HA 0.249 4.570 4.320 0.001 0.000 0.212 244 A C 0.758 178.471 177.584 0.214 0.000 1.162 244 A CA 0.736 52.843 52.037 0.116 0.000 0.753 244 A CB 0.020 19.052 19.000 0.053 0.000 0.840 244 A HN 0.844 nan 8.150 nan 0.000 0.468 245 E N -0.685 119.611 120.200 0.160 0.000 2.359 245 E HA 0.352 4.703 4.350 0.001 0.000 0.266 245 E C -0.989 175.653 176.600 0.070 0.000 0.920 245 E CA -0.940 55.579 56.400 0.198 0.000 0.788 245 E CB 1.624 31.365 29.700 0.068 0.000 1.279 245 E HN 0.204 nan 8.360 nan 0.000 0.438 246 K N 1.834 122.304 120.400 0.118 0.000 2.401 246 K HA 0.118 4.439 4.320 0.001 0.000 0.278 246 K C -0.593 175.924 176.600 -0.139 0.000 1.018 246 K CA 0.104 56.312 56.287 -0.131 0.000 0.981 246 K CB 0.439 32.944 32.500 0.008 0.000 0.933 246 K HN 0.317 nan 8.250 nan 0.000 0.477 247 M N 2.833 122.282 119.600 -0.253 0.000 2.578 247 M HA 0.231 4.712 4.480 0.001 0.000 0.321 247 M C -0.276 176.045 176.300 0.034 0.000 1.182 247 M CA -0.668 54.565 55.300 -0.111 0.000 0.965 247 M CB 1.413 33.919 32.600 -0.158 0.000 1.694 247 M HN 0.608 nan 8.290 nan 0.000 0.461 248 H N 2.417 121.490 119.070 0.004 0.000 2.469 248 H HA 0.373 4.930 4.556 0.001 0.000 0.342 248 H C -2.109 173.127 175.328 -0.154 0.000 1.115 248 H CA -1.625 54.412 56.048 -0.018 0.000 1.204 248 H CB 2.257 32.006 29.762 -0.022 0.000 1.492 248 H HN 0.252 nan 8.280 nan 0.000 0.499 249 P HA -0.130 nan 4.420 nan 0.000 0.218 249 P C 0.085 177.218 177.300 -0.279 0.000 1.148 249 P CA 0.805 63.329 63.100 -0.959 0.000 0.822 249 P CB 0.305 31.047 31.700 -1.597 0.000 0.784 250 V N 1.589 121.644 119.914 0.235 0.000 2.348 250 V HA 0.213 4.333 4.120 0.001 0.000 0.270 250 V C -2.207 173.892 176.094 0.008 0.000 1.037 250 V CA -2.092 60.272 62.300 0.106 0.000 0.872 250 V CB 0.715 32.592 31.823 0.090 0.000 1.002 250 V HN -0.055 nan 8.190 nan 0.000 0.464 251 P HA 0.204 nan 4.420 nan 0.000 0.263 251 P C 1.003 178.285 177.300 -0.030 0.000 1.195 251 P CA 1.266 64.366 63.100 0.000 0.000 0.762 251 P CB 0.565 32.276 31.700 0.019 0.000 0.799 252 G N 1.823 110.597 108.800 -0.044 0.000 2.194 252 G HA2 -0.195 3.766 3.960 0.001 0.000 0.236 252 G HA3 -0.195 3.766 3.960 0.001 0.000 0.236 252 G C 0.135 174.969 174.900 -0.111 0.000 0.987 252 G CA -0.403 44.666 45.100 -0.052 0.000 0.635 252 G HN 0.379 nan 8.290 nan 0.000 0.520 253 M N 0.543 119.992 119.600 -0.252 0.000 2.471 253 M HA 0.453 4.933 4.480 0.001 0.000 0.309 253 M C -2.475 173.650 176.300 -0.291 0.000 1.186 253 M CA -2.608 52.441 55.300 -0.419 0.000 1.008 253 M CB 0.185 32.198 32.600 -0.979 0.000 1.551 253 M HN -0.128 nan 8.290 nan 0.000 0.477 254 P HA 0.215 nan 4.420 nan 0.000 0.275 254 P C -0.042 177.357 177.300 0.166 0.000 1.276 254 P CA -0.011 63.109 63.100 0.032 0.000 0.782 254 P CB 0.281 32.009 31.700 0.046 0.000 0.851 255 A N 3.768 126.666 122.820 0.128 0.000 2.121 255 A HA -0.123 4.197 4.320 0.001 0.000 0.218 255 A C 2.048 179.666 177.584 0.056 0.000 1.154 255 A CA 1.163 53.269 52.037 0.115 0.000 0.679 255 A CB -1.216 17.815 19.000 0.052 0.000 0.795 255 A HN 0.434 nan 8.150 nan 0.000 0.458 256 V N 0.991 120.939 119.914 0.057 0.000 2.469 256 V HA -0.270 3.851 4.120 0.001 0.000 0.251 256 V C 1.893 178.014 176.094 0.044 0.000 1.064 256 V CA 2.532 64.859 62.300 0.045 0.000 1.066 256 V CB -0.845 31.011 31.823 0.055 0.000 0.667 256 V HN 0.628 nan 8.190 nan 0.000 0.461 257 N N -0.516 118.201 118.700 0.028 0.000 2.364 257 N HA -0.064 4.677 4.740 0.001 0.000 0.183 257 N C 0.659 176.166 175.510 -0.004 0.000 1.022 257 N CA 1.061 54.069 53.050 -0.070 0.000 0.883 257 N CB -0.645 37.573 38.487 -0.448 0.000 0.965 257 N HN 0.492 nan 8.380 nan 0.000 0.438 258 C N 0.874 120.153 119.300 -0.036 0.000 2.382 258 C HA 0.359 4.820 4.460 0.001 0.000 0.363 258 C C 1.090 176.035 174.990 -0.075 0.000 1.213 258 C CA -1.065 57.880 59.018 -0.121 0.000 2.363 258 C CB 0.980 28.621 27.740 -0.165 0.000 2.397 258 C HN 0.397 nan 8.230 nan 0.000 0.573 259 T N -0.030 114.474 114.554 -0.083 0.000 2.903 259 T HA 0.158 4.509 4.350 0.001 0.000 0.314 259 T C -0.205 174.417 174.700 -0.131 0.000 1.078 259 T CA -0.311 61.740 62.100 -0.082 0.000 1.114 259 T CB 0.236 69.066 68.868 -0.064 0.000 0.987 259 T HN 0.703 nan 8.240 nan 0.000 0.548 260 E N 1.943 122.066 120.200 -0.129 0.000 2.413 260 E HA 0.127 4.478 4.350 0.001 0.000 0.263 260 E C 0.395 176.862 176.600 -0.222 0.000 1.015 260 E CA 0.023 56.340 56.400 -0.138 0.000 0.916 260 E CB 0.586 30.225 29.700 -0.102 0.000 0.947 260 E HN 0.607 nan 8.360 nan 0.000 0.440 261 Q N 0.744 120.383 119.800 -0.269 0.000 3.207 261 Q HA 0.390 4.731 4.340 0.001 0.000 0.224 261 Q C -0.510 175.290 176.000 -0.334 0.000 1.062 261 Q CA -0.916 54.591 55.803 -0.493 0.000 0.789 261 Q CB 0.666 28.896 28.738 -0.846 0.000 2.631 261 Q HN 0.527 nan 8.270 nan 0.000 0.409 262 F N 0.103 119.823 119.950 -0.384 0.000 3.069 262 F HA -0.216 4.312 4.527 0.001 0.000 0.285 262 F C 0.941 176.515 175.800 -0.377 0.000 0.827 262 F CA 1.177 58.979 58.000 -0.329 0.000 1.108 262 F CB -2.097 36.766 39.000 -0.229 0.000 1.252 262 F HN 0.812 nan 8.300 nan 0.000 0.483 263 G N -1.042 107.440 108.800 -0.530 0.000 2.153 263 G HA2 -0.215 3.746 3.960 0.001 0.000 0.252 263 G HA3 -0.215 3.746 3.960 0.001 0.000 0.252 263 G C 0.048 174.794 174.900 -0.257 0.000 0.994 263 G CA -0.042 44.621 45.100 -0.728 0.000 0.698 263 G HN 0.732 nan 8.290 nan 0.000 0.521 264 V N 2.084 121.897 119.914 -0.169 0.000 2.446 264 V HA 0.287 4.408 4.120 0.001 0.000 0.276 264 V C -1.188 174.855 176.094 -0.084 0.000 1.030 264 V CA -0.988 61.259 62.300 -0.087 0.000 1.033 264 V CB 0.955 32.742 31.823 -0.062 0.000 0.993 264 V HN 0.162 nan 8.190 nan 0.000 0.477 265 P HA 0.388 nan 4.420 nan 0.000 0.268 265 P C 0.213 177.487 177.300 -0.043 0.000 1.205 265 P CA 0.398 63.482 63.100 -0.027 0.000 0.771 265 P CB 0.780 32.482 31.700 0.004 0.000 0.858 266 G N 2.058 110.827 108.800 -0.051 0.000 2.608 266 G HA2 0.549 4.509 3.960 0.001 0.000 0.291 266 G HA3 0.549 4.509 3.960 0.001 0.000 0.291 266 G C -3.282 171.554 174.900 -0.106 0.000 1.425 266 G CA -1.264 43.781 45.100 -0.092 0.000 0.787 266 G HN 0.185 nan 8.290 nan 0.000 0.484 267 P HA 0.052 nan 4.420 nan 0.000 0.272 267 P C 1.270 178.361 177.300 -0.347 0.000 1.223 267 P CA -0.443 62.519 63.100 -0.231 0.000 0.784 267 P CB 0.634 32.026 31.700 -0.514 0.000 0.923 268 W N 4.625 125.738 121.300 -0.313 0.000 2.275 268 W HA -0.272 4.389 4.660 0.001 0.000 0.321 268 W C 1.375 177.789 176.519 -0.174 0.000 1.269 268 W CA 2.224 59.337 57.345 -0.386 0.000 1.274 268 W CB -2.509 26.363 29.460 -0.980 0.000 1.141 268 W HN 0.527 nan 8.180 nan 0.000 0.493 269 H N 0.386 118.582 119.070 -1.457 0.000 2.555 269 H HA 0.191 4.747 4.556 0.001 0.000 0.269 269 H C 0.642 175.612 175.328 -0.597 0.000 0.988 269 H CA 1.133 56.482 56.048 -1.164 0.000 1.178 269 H CB -0.855 27.842 29.762 -1.775 0.000 1.373 269 H HN 0.369 nan 8.280 nan 0.000 0.588 270 E N 0.383 120.079 120.200 -0.840 0.000 2.501 270 E HA 0.170 4.520 4.350 0.001 0.000 0.200 270 E C 1.062 177.489 176.600 -0.288 0.000 1.016 270 E CA -0.240 55.834 56.400 -0.545 0.000 0.921 270 E CB 0.704 30.050 29.700 -0.590 0.000 1.034 270 E HN 0.245 nan 8.360 nan 0.000 0.468 271 R N -0.567 119.805 120.500 -0.213 0.000 2.561 271 R HA 0.211 4.552 4.340 0.001 0.000 0.213 271 R C 1.994 178.304 176.300 0.016 0.000 0.885 271 R CA 0.027 56.082 56.100 -0.075 0.000 1.002 271 R CB -0.003 30.273 30.300 -0.040 0.000 1.432 271 R HN 0.114 nan 8.270 nan 0.000 0.651 272 L N 1.766 123.006 121.223 0.028 0.000 2.017 272 L HA -0.039 4.301 4.340 0.001 0.000 0.208 272 L C -1.274 175.570 176.870 -0.042 0.000 1.073 272 L CA 1.150 56.035 54.840 0.075 0.000 0.745 272 L CB -1.443 40.706 42.059 0.150 0.000 0.894 272 L HN 0.007 nan 8.230 nan 0.000 0.432 273 P HA -0.007 nan 4.420 nan 0.000 0.272 273 P C -0.180 177.035 177.300 -0.143 0.000 1.230 273 P CA 0.428 63.414 63.100 -0.190 0.000 0.788 273 P CB 0.296 31.917 31.700 -0.131 0.000 0.949 274 H N -0.651 118.267 119.070 -0.255 0.000 2.535 274 H HA 0.156 4.713 4.556 0.001 0.000 0.273 274 H C -0.046 174.806 175.328 -0.793 0.000 0.983 274 H CA 0.210 55.928 56.048 -0.549 0.000 1.238 274 H CB -0.099 29.045 29.762 -1.030 0.000 1.412 274 H HN 0.302 nan 8.280 nan 0.000 0.562 275 F N 1.531 121.490 119.950 0.016 0.000 2.507 275 F HA 0.303 4.831 4.527 0.002 0.000 0.325 275 F C 0.455 176.276 175.800 0.036 0.000 1.116 275 F CA -1.435 56.570 58.000 0.008 0.000 0.930 275 F CB 1.201 40.267 39.000 0.111 0.000 1.146 275 F HN -0.003 nan 8.300 nan 0.000 0.447 276 R N 1.395 122.023 120.500 0.213 0.000 2.637 276 R HA 0.661 5.002 4.340 0.001 0.000 0.269 276 R C 0.678 177.104 176.300 0.209 0.000 1.089 276 R CA -0.042 56.134 56.100 0.126 0.000 1.177 276 R CB 0.601 30.951 30.300 0.082 0.000 1.091 276 R HN 0.738 nan 8.270 nan 0.000 0.540 277 A N 1.573 124.461 122.820 0.112 0.000 2.019 277 A HA -0.161 4.159 4.320 0.001 0.000 0.219 277 A C 1.695 179.464 177.584 0.308 0.000 1.164 277 A CA 1.514 53.657 52.037 0.177 0.000 0.644 277 A CB -0.487 18.561 19.000 0.079 0.000 0.805 277 A HN 0.907 nan 8.150 nan 0.000 0.449 278 E N -1.218 119.111 120.200 0.215 0.000 2.265 278 E HA -0.051 4.300 4.350 0.001 0.000 0.196 278 E C 0.297 177.040 176.600 0.239 0.000 0.996 278 E CA 0.293 56.803 56.400 0.184 0.000 0.832 278 E CB -0.238 29.545 29.700 0.139 0.000 0.756 278 E HN 0.609 nan 8.360 nan 0.000 0.491 279 F N 1.821 121.876 119.950 0.176 0.000 2.434 279 F HA 0.169 4.697 4.527 0.002 0.000 0.358 279 F C -0.015 175.884 175.800 0.166 0.000 1.136 279 F CA -0.390 57.709 58.000 0.166 0.000 1.157 279 F CB 0.514 39.637 39.000 0.205 0.000 1.167 279 F HN -0.221 nan 8.300 nan 0.000 0.539 280 T N 5.072 119.405 114.554 -0.370 0.000 3.466 280 T HA 0.369 4.720 4.350 0.001 0.000 0.297 280 T C -2.602 171.884 174.700 -0.358 0.000 1.640 280 T CA -1.502 60.353 62.100 -0.407 0.000 1.631 280 T CB -0.201 68.462 68.868 -0.341 0.000 0.928 280 T HN 0.416 nan 8.240 nan 0.000 0.688 281 P HA 0.184 nan 4.420 nan 0.000 0.271 281 P C 1.033 178.406 177.300 0.122 0.000 1.220 281 P CA -0.190 62.803 63.100 -0.179 0.000 0.768 281 P CB 1.409 33.051 31.700 -0.096 0.000 0.848 282 S N 1.373 117.073 115.700 0.000 0.000 2.489 282 S HA 0.062 4.533 4.470 0.001 0.000 0.228 282 S C 0.798 175.241 174.600 -0.261 0.000 0.995 282 S CA 0.450 58.650 58.200 0.001 0.000 0.934 282 S CB -0.433 62.734 63.200 -0.054 0.000 0.771 282 S HN 0.731 nan 8.310 nan 0.000 0.522 283 S N -1.419 113.913 115.700 -0.613 0.000 2.636 283 S HA 0.767 5.237 4.470 0.001 0.000 0.268 283 S C -0.612 173.163 174.600 -1.375 0.000 1.159 283 S CA -0.498 56.861 58.200 -1.401 0.000 0.815 283 S CB 1.099 63.857 63.200 -0.736 0.000 1.130 283 S HN 0.829 nan 8.310 nan 0.000 0.471 284 G N -0.623 107.228 108.800 -1.582 0.000 2.682 284 G HA2 0.709 4.669 3.960 0.001 0.000 0.300 284 G HA3 0.709 4.669 3.960 0.001 0.000 0.300 284 G C -0.642 174.082 174.900 -0.293 0.000 1.391 284 G CA -0.390 44.270 45.100 -0.734 0.000 0.990 284 G HN 1.378 nan 8.290 nan 0.000 0.501 285 A N 1.819 124.593 122.820 -0.077 0.000 3.015 285 A HA 0.643 4.963 4.320 0.001 0.000 0.293 285 A C 0.341 177.992 177.584 0.111 0.000 1.572 285 A CA -0.196 51.844 52.037 0.006 0.000 1.274 285 A CB -0.610 18.395 19.000 0.007 0.000 1.156 285 A HN 0.833 nan 8.150 nan 0.000 0.562 286 E N 0.909 121.223 120.200 0.190 0.000 2.407 286 E HA 0.701 5.052 4.350 0.001 0.000 0.279 286 E C -1.790 175.015 176.600 0.341 0.000 1.012 286 E CA -0.929 55.632 56.400 0.268 0.000 0.800 286 E CB 1.029 30.916 29.700 0.312 0.000 1.276 286 E HN 0.247 nan 8.360 nan 0.000 0.452 287 L N 0.403 121.780 121.223 0.257 0.000 2.286 287 L HA 0.568 4.909 4.340 0.001 0.000 0.265 287 L C -0.301 176.463 176.870 -0.177 0.000 1.012 287 L CA -0.917 54.001 54.840 0.130 0.000 0.818 287 L CB 2.077 44.312 42.059 0.293 0.000 1.337 287 L HN 0.566 nan 8.230 nan 0.000 0.438 288 Q N 0.042 119.473 119.800 -0.615 0.000 2.389 288 Q HA 0.608 4.948 4.340 0.001 0.000 0.277 288 Q C -1.636 174.255 176.000 -0.182 0.000 1.082 288 Q CA -0.632 54.846 55.803 -0.541 0.000 0.810 288 Q CB 2.878 31.169 28.738 -0.746 0.000 1.374 288 Q HN 0.581 nan 8.270 nan 0.000 0.422 289 S N 0.836 116.431 115.700 -0.176 0.000 2.569 289 S HA 0.600 5.070 4.470 0.001 0.000 0.280 289 S C -1.486 173.040 174.600 -0.123 0.000 1.111 289 S CA -0.733 57.487 58.200 0.032 0.000 0.887 289 S CB 2.250 65.706 63.200 0.427 0.000 1.095 289 S HN 0.592 nan 8.310 nan 0.000 0.476 290 E N 0.773 120.848 120.200 -0.208 0.000 2.352 290 E HA 0.481 4.832 4.350 0.001 0.000 0.280 290 E C -2.117 174.241 176.600 -0.402 0.000 0.930 290 E CA -0.508 55.843 56.400 -0.082 0.000 0.765 290 E CB 1.276 31.098 29.700 0.203 0.000 1.219 290 E HN 0.612 nan 8.360 nan 0.000 0.434 291 Y N 2.382 122.823 120.300 0.235 0.000 2.376 291 Y HA 0.463 5.014 4.550 0.001 0.000 0.340 291 Y C -0.660 175.300 175.900 0.100 0.000 0.965 291 Y CA -0.810 57.376 58.100 0.144 0.000 1.078 291 Y CB 1.508 40.066 38.460 0.163 0.000 1.193 291 Y HN 0.358 nan 8.280 nan 0.000 0.452 292 L N 4.795 126.098 121.223 0.135 0.000 2.305 292 L HA 0.636 4.976 4.340 0.001 0.000 0.284 292 L C -0.527 176.371 176.870 0.048 0.000 1.013 292 L CA -0.145 54.720 54.840 0.042 0.000 0.819 292 L CB 1.143 43.173 42.059 -0.048 0.000 1.227 292 L HN 0.624 nan 8.230 nan 0.000 0.417 293 M N 3.658 123.293 119.600 0.058 0.000 2.644 293 M HA 0.560 5.040 4.480 0.001 0.000 0.304 293 M C -2.460 173.859 176.300 0.032 0.000 1.215 293 M CA -1.894 53.459 55.300 0.087 0.000 0.871 293 M CB 2.310 35.002 32.600 0.153 0.000 1.740 293 M HN 0.196 nan 8.290 nan 0.000 0.464 294 P HA 0.030 nan 4.420 nan 0.000 0.262 294 P C -0.109 177.125 177.300 -0.110 0.000 1.182 294 P CA 0.288 63.340 63.100 -0.080 0.000 0.761 294 P CB 0.440 32.030 31.700 -0.183 0.000 0.795 295 R N 3.803 124.250 120.500 -0.089 0.000 2.127 295 R HA -0.185 4.156 4.340 0.001 0.000 0.238 295 R C 1.908 178.166 176.300 -0.070 0.000 1.134 295 R CA 1.420 57.493 56.100 -0.044 0.000 0.975 295 R CB -0.128 30.158 30.300 -0.022 0.000 0.865 295 R HN 0.567 nan 8.270 nan 0.000 0.447 296 E N -0.485 119.619 120.200 -0.160 0.000 2.265 296 E HA -0.224 4.126 4.350 0.001 0.000 0.196 296 E C 0.634 177.140 176.600 -0.157 0.000 0.996 296 E CA 1.513 57.809 56.400 -0.173 0.000 0.832 296 E CB -0.429 29.140 29.700 -0.218 0.000 0.756 296 E HN 0.667 nan 8.360 nan 0.000 0.491 297 H N 0.151 119.163 119.070 -0.097 0.000 2.539 297 H HA 0.351 4.908 4.556 0.001 0.000 0.267 297 H C 1.999 177.107 175.328 -0.368 0.000 0.982 297 H CA 0.005 55.920 56.048 -0.221 0.000 1.146 297 H CB 0.475 30.131 29.762 -0.178 0.000 1.382 297 H HN 0.328 nan 8.280 nan 0.000 0.577 298 A N 1.276 123.982 122.820 -0.190 0.000 1.869 298 A HA -0.210 4.111 4.320 0.001 0.000 0.218 298 A C 2.158 179.468 177.584 -0.457 0.000 1.203 298 A CA 1.457 53.298 52.037 -0.327 0.000 0.638 298 A CB -0.745 18.008 19.000 -0.412 0.000 0.831 298 A HN 0.395 nan 8.150 nan 0.000 0.450 299 L N -1.201 119.736 121.223 -0.477 0.000 2.109 299 L HA -0.142 4.198 4.340 0.001 0.000 0.207 299 L C 3.120 179.929 176.870 -0.102 0.000 1.086 299 L CA 0.864 55.515 54.840 -0.315 0.000 0.760 299 L CB -0.521 41.420 42.059 -0.197 0.000 0.910 299 L HN 0.481 nan 8.230 nan 0.000 0.437 300 A N 0.126 122.826 122.820 -0.200 0.000 1.908 300 A HA -0.229 4.091 4.320 0.001 0.000 0.218 300 A C 2.503 179.847 177.584 -0.400 0.000 1.181 300 A CA 1.896 53.794 52.037 -0.231 0.000 0.627 300 A CB -0.689 18.148 19.000 -0.272 0.000 0.818 300 A HN 0.421 nan 8.150 nan 0.000 0.445 301 A N -0.400 121.978 122.820 -0.737 0.000 1.898 301 A HA -0.004 4.316 4.320 0.001 0.000 0.216 301 A C 2.157 179.663 177.584 -0.131 0.000 1.181 301 A CA 1.442 53.171 52.037 -0.514 0.000 0.620 301 A CB -0.597 18.144 19.000 -0.431 0.000 0.819 301 A HN 0.470 nan 8.150 nan 0.000 0.442 302 L N -1.332 119.837 121.223 -0.091 0.000 2.083 302 L HA -0.188 4.153 4.340 0.001 0.000 0.209 302 L C 2.587 179.418 176.870 -0.065 0.000 1.083 302 L CA 1.173 56.046 54.840 0.055 0.000 0.752 302 L CB -0.658 41.464 42.059 0.104 0.000 0.899 302 L HN 0.469 nan 8.230 nan 0.000 0.433 303 H N -0.508 118.560 119.070 -0.003 0.000 2.428 303 H HA -0.005 4.552 4.556 0.001 0.000 0.296 303 H C 2.250 177.558 175.328 -0.033 0.000 1.062 303 H CA 1.236 57.282 56.048 -0.004 0.000 1.350 303 H CB 0.156 29.913 29.762 -0.008 0.000 1.403 303 H HN 0.353 nan 8.280 nan 0.000 0.533 304 A N 0.961 123.824 122.820 0.073 0.000 1.902 304 A HA -0.165 4.155 4.320 0.001 0.000 0.217 304 A C 2.579 180.098 177.584 -0.109 0.000 1.181 304 A CA 1.439 53.498 52.037 0.037 0.000 0.623 304 A CB -0.556 18.541 19.000 0.161 0.000 0.818 304 A HN 0.257 nan 8.150 nan 0.000 0.443 305 M N -0.798 118.666 119.600 -0.227 0.000 2.117 305 M HA -0.145 4.335 4.480 0.001 0.000 0.262 305 M C 1.955 177.798 176.300 -0.762 0.000 1.065 305 M CA 2.001 56.960 55.300 -0.569 0.000 1.114 305 M CB -0.546 31.582 32.600 -0.787 0.000 1.361 305 M HN 0.567 nan 8.290 nan 0.000 0.408 306 D N 0.594 120.661 120.400 -0.555 0.000 2.149 306 D HA -0.147 4.494 4.640 0.001 0.000 0.198 306 D C 1.788 178.019 176.300 -0.116 0.000 0.990 306 D CA 1.671 55.529 54.000 -0.237 0.000 0.839 306 D CB 0.109 40.907 40.800 -0.002 0.000 0.948 306 D HN 0.307 nan 8.370 nan 0.000 0.460 307 A N 0.074 122.840 122.820 -0.089 0.000 2.168 307 A HA 0.077 4.398 4.320 0.001 0.000 0.215 307 A C 1.974 179.520 177.584 -0.065 0.000 1.152 307 A CA 0.925 52.940 52.037 -0.038 0.000 0.716 307 A CB -0.743 18.255 19.000 -0.004 0.000 0.794 307 A HN 0.589 nan 8.150 nan 0.000 0.465 308 I N -3.411 117.084 120.570 -0.125 0.000 3.833 308 I HA 0.222 4.393 4.170 0.001 0.000 0.328 308 I C 1.515 177.559 176.117 -0.122 0.000 1.554 308 I CA -0.136 61.096 61.300 -0.113 0.000 1.116 308 I CB 0.113 38.038 38.000 -0.124 0.000 1.182 308 I HN 0.246 nan 8.210 nan 0.000 0.459 309 R N 1.279 121.708 120.500 -0.119 0.000 2.120 309 R HA -0.104 4.237 4.340 0.001 0.000 0.234 309 R C 1.132 177.462 176.300 0.049 0.000 1.123 309 R CA 1.662 57.728 56.100 -0.057 0.000 0.975 309 R CB -0.665 29.693 30.300 0.096 0.000 0.866 309 R HN 0.501 nan 8.270 nan 0.000 0.446 310 E N 0.408 120.628 120.200 0.034 0.000 2.265 310 E HA -0.099 4.252 4.350 0.001 0.000 0.196 310 E C 1.362 177.985 176.600 0.038 0.000 0.996 310 E CA 1.623 58.051 56.400 0.047 0.000 0.832 310 E CB 0.091 29.809 29.700 0.031 0.000 0.756 310 E HN 0.435 nan 8.360 nan 0.000 0.491 311 T N 0.735 115.295 114.554 0.009 0.000 2.937 311 T HA 0.014 4.364 4.350 0.001 0.000 0.260 311 T C 1.878 176.597 174.700 0.032 0.000 1.051 311 T CA 0.453 62.552 62.100 -0.002 0.000 1.141 311 T CB 0.044 68.887 68.868 -0.041 0.000 0.879 311 T HN 0.068 nan 8.240 nan 0.000 0.459 312 L N 0.947 122.205 121.223 0.059 0.000 2.044 312 L HA 0.027 4.368 4.340 0.001 0.000 0.205 312 L C 3.100 180.153 176.870 0.305 0.000 1.075 312 L CA 1.111 56.069 54.840 0.197 0.000 0.747 312 L CB -0.749 41.405 42.059 0.159 0.000 0.903 312 L HN 0.205 nan 8.230 nan 0.000 0.435 313 A N 0.679 123.654 122.820 0.259 0.000 1.892 313 A HA -0.153 4.168 4.320 0.001 0.000 0.218 313 A C 0.037 177.752 177.584 0.218 0.000 1.188 313 A CA 1.901 54.099 52.037 0.269 0.000 0.631 313 A CB -1.886 17.246 19.000 0.220 0.000 0.822 313 A HN 0.291 nan 8.150 nan 0.000 0.447 314 P HA -0.078 nan 4.420 nan 0.000 0.220 314 P C 1.032 178.416 177.300 0.139 0.000 1.148 314 P CA 1.651 64.824 63.100 0.121 0.000 0.803 314 P CB -0.090 31.656 31.700 0.077 0.000 0.782 315 V N -4.992 115.033 119.914 0.186 0.000 3.376 315 V HA 0.304 4.424 4.120 0.001 0.000 0.313 315 V C 0.228 176.583 176.094 0.434 0.000 1.393 315 V CA -0.487 61.942 62.300 0.215 0.000 1.125 315 V CB -0.556 31.308 31.823 0.069 0.000 1.037 315 V HN -0.130 nan 8.190 nan 0.000 0.440 316 L N 0.900 122.370 121.223 0.412 0.000 2.317 316 L HA 0.540 4.881 4.340 0.001 0.000 0.281 316 L C 1.023 178.048 176.870 0.259 0.000 1.024 316 L CA 0.382 55.477 54.840 0.424 0.000 0.810 316 L CB 2.001 44.315 42.059 0.426 0.000 1.240 316 L HN 0.184 nan 8.230 nan 0.000 0.427 317 Q N 1.476 121.401 119.800 0.209 0.000 2.084 317 Q HA 0.174 4.515 4.340 0.001 0.000 0.194 317 Q C -0.088 175.983 176.000 0.118 0.000 0.969 317 Q CA 0.818 56.710 55.803 0.148 0.000 0.829 317 Q CB 0.400 29.226 28.738 0.147 0.000 0.904 317 Q HN 0.716 nan 8.270 nan 0.000 0.464 318 T N -1.157 113.458 114.554 0.102 0.000 2.840 318 T HA 0.335 4.685 4.350 0.001 0.000 0.317 318 T C -2.062 172.650 174.700 0.020 0.000 1.401 318 T CA -0.649 61.502 62.100 0.086 0.000 1.028 318 T CB 1.676 70.613 68.868 0.115 0.000 1.317 318 T HN 0.314 nan 8.240 nan 0.000 0.495 319 C N 3.069 122.341 119.300 -0.046 0.000 2.417 319 C HA 0.837 5.298 4.460 0.001 0.000 0.324 319 C C -0.431 174.459 174.990 -0.167 0.000 1.240 319 C CA -0.306 58.548 59.018 -0.274 0.000 1.632 319 C CB 0.376 27.907 27.740 -0.348 0.000 2.241 319 C HN 1.004 nan 8.230 nan 0.000 0.499 320 E N 5.193 125.272 120.200 -0.202 0.000 2.199 320 E HA 0.562 4.913 4.350 0.001 0.000 0.265 320 E C -1.089 175.331 176.600 -0.300 0.000 0.882 320 E CA -0.578 55.579 56.400 -0.405 0.000 0.759 320 E CB 1.030 30.524 29.700 -0.344 0.000 1.148 320 E HN 0.682 nan 8.360 nan 0.000 0.412 321 I N 4.354 124.708 120.570 -0.359 0.000 2.354 321 I HA 0.465 4.635 4.170 0.001 0.000 0.292 321 I C 0.309 176.294 176.117 -0.219 0.000 0.989 321 I CA -0.424 60.761 61.300 -0.191 0.000 1.188 321 I CB 1.048 38.967 38.000 -0.136 0.000 1.342 321 I HN 0.612 nan 8.210 nan 0.000 0.457 322 R N 2.802 123.239 120.500 -0.105 0.000 2.869 322 R HA 0.739 5.080 4.340 0.001 0.000 0.263 322 R C -0.559 175.700 176.300 -0.069 0.000 1.066 322 R CA -0.805 55.239 56.100 -0.092 0.000 0.960 322 R CB 2.545 32.839 30.300 -0.011 0.000 1.221 322 R HN 0.716 nan 8.270 nan 0.000 0.474 323 T N -1.941 112.562 114.554 -0.086 0.000 2.908 323 T HA 0.730 5.081 4.350 0.001 0.000 0.290 323 T C -0.635 174.003 174.700 -0.103 0.000 1.034 323 T CA -0.721 61.324 62.100 -0.092 0.000 1.010 323 T CB 1.731 70.534 68.868 -0.107 0.000 1.068 323 T HN 0.192 nan 8.240 nan 0.000 0.481 324 V N 0.919 120.763 119.914 -0.117 0.000 2.733 324 V HA 0.747 4.867 4.120 0.001 0.000 0.306 324 V C 0.412 176.452 176.094 -0.090 0.000 1.084 324 V CA -1.248 60.984 62.300 -0.113 0.000 0.905 324 V CB 1.554 33.269 31.823 -0.179 0.000 1.010 324 V HN 1.394 nan 8.190 nan 0.000 0.424 325 A N 2.923 125.698 122.820 -0.075 0.000 2.386 325 A HA 0.773 5.094 4.320 0.001 0.000 0.248 325 A C 0.817 178.367 177.584 -0.057 0.000 1.082 325 A CA 0.360 52.358 52.037 -0.065 0.000 0.789 325 A CB 0.382 19.347 19.000 -0.057 0.000 1.025 325 A HN 1.776 nan 8.150 nan 0.000 0.490 326 A N 1.354 124.135 122.820 -0.065 0.000 2.565 326 A HA 0.332 4.653 4.320 0.001 0.000 0.237 326 A C 0.227 177.779 177.584 -0.053 0.000 1.053 326 A CA 0.330 52.319 52.037 -0.080 0.000 0.755 326 A CB -0.103 18.831 19.000 -0.109 0.000 0.980 326 A HN 0.830 nan 8.150 nan 0.000 0.506 327 D N 1.276 121.653 120.400 -0.039 0.000 2.185 327 D HA 0.549 5.190 4.640 0.001 0.000 0.247 327 D C 0.815 177.149 176.300 0.056 0.000 1.027 327 D CA 0.328 54.347 54.000 0.032 0.000 0.861 327 D CB 1.839 42.693 40.800 0.091 0.000 1.202 327 D HN 0.430 nan 8.370 nan 0.000 0.453 328 A N 3.487 126.368 122.820 0.103 0.000 2.123 328 A HA -0.018 4.303 4.320 0.001 0.000 0.214 328 A C 0.927 178.671 177.584 0.267 0.000 1.152 328 A CA 0.419 52.567 52.037 0.185 0.000 0.728 328 A CB -0.002 19.081 19.000 0.140 0.000 0.814 328 A HN 0.476 nan 8.150 nan 0.000 0.464 329 Q N -0.052 119.849 119.800 0.168 0.000 2.297 329 Q HA -0.005 4.336 4.340 0.001 0.000 0.267 329 Q C 0.332 176.482 176.000 0.250 0.000 1.006 329 Q CA -0.305 55.510 55.803 0.020 0.000 0.896 329 Q CB 0.398 29.111 28.738 -0.042 0.000 1.186 329 Q HN 0.688 nan 8.270 nan 0.000 0.392 330 W N 2.515 123.841 121.300 0.042 0.000 2.342 330 W HA -0.162 4.499 4.660 0.001 0.000 0.297 330 W C 1.369 177.798 176.519 -0.149 0.000 1.213 330 W CA 0.668 57.891 57.345 -0.204 0.000 1.251 330 W CB -0.364 29.017 29.460 -0.131 0.000 1.136 330 W HN 0.504 nan 8.180 nan 0.000 0.526 331 L N 0.191 121.458 121.223 0.072 0.000 2.607 331 L HA 0.144 4.485 4.340 0.001 0.000 0.228 331 L C 1.208 178.252 176.870 0.290 0.000 1.123 331 L CA -0.094 54.712 54.840 -0.056 0.000 0.890 331 L CB -0.456 41.321 42.059 -0.470 0.000 1.103 331 L HN -0.289 nan 8.230 nan 0.000 0.468 332 S N 1.046 116.930 115.700 0.307 0.000 2.537 332 S HA 0.098 4.569 4.470 0.001 0.000 0.286 332 S C -1.334 173.517 174.600 0.418 0.000 1.299 332 S CA -1.035 57.352 58.200 0.311 0.000 1.067 332 S CB 0.991 64.333 63.200 0.236 0.000 0.864 332 S HN -0.023 nan 8.310 nan 0.000 0.494 333 P HA -0.029 nan 4.420 nan 0.000 0.221 333 P C 0.534 177.869 177.300 0.058 0.000 1.145 333 P CA 1.105 64.271 63.100 0.109 0.000 0.795 333 P CB 0.066 31.717 31.700 -0.083 0.000 0.775 334 A N -2.169 120.694 122.820 0.072 0.000 2.337 334 A HA 0.023 4.343 4.320 0.001 0.000 0.227 334 A C 0.280 177.910 177.584 0.077 0.000 1.259 334 A CA -0.467 51.585 52.037 0.026 0.000 0.870 334 A CB -1.530 17.453 19.000 -0.028 0.000 0.927 334 A HN 0.114 nan 8.150 nan 0.000 0.497 335 Y N 0.949 121.300 120.300 0.087 0.000 2.802 335 Y HA 0.264 4.814 4.550 0.001 0.000 0.333 335 Y C 1.388 177.333 175.900 0.075 0.000 1.244 335 Y CA 0.999 59.174 58.100 0.125 0.000 1.558 335 Y CB 0.023 38.624 38.460 0.234 0.000 1.233 335 Y HN 0.557 nan 8.280 nan 0.000 0.547 336 G N 5.064 113.351 108.800 -0.855 0.000 2.189 336 G HA2 -0.292 3.669 3.960 0.001 0.000 0.267 336 G HA3 -0.292 3.669 3.960 0.001 0.000 0.267 336 G C -0.058 174.641 174.900 -0.335 0.000 0.975 336 G CA 0.427 45.020 45.100 -0.844 0.000 0.644 336 G HN 0.994 nan 8.290 nan 0.000 0.537 337 R N -0.479 119.899 120.500 -0.204 0.000 2.566 337 R HA 0.508 4.848 4.340 0.001 0.000 0.271 337 R C -1.696 174.546 176.300 -0.097 0.000 1.071 337 R CA -1.016 55.009 56.100 -0.125 0.000 0.915 337 R CB 1.020 31.264 30.300 -0.093 0.000 1.228 337 R HN -0.042 nan 8.270 nan 0.000 0.449 338 D N 1.848 122.197 120.400 -0.086 0.000 2.472 338 D HA 0.171 4.812 4.640 0.001 0.000 0.237 338 D C -0.457 175.800 176.300 -0.072 0.000 1.141 338 D CA 0.871 54.826 54.000 -0.075 0.000 0.875 338 D CB 1.203 41.963 40.800 -0.067 0.000 1.192 338 D HN 0.424 nan 8.370 nan 0.000 0.450 339 T N 0.835 115.347 114.554 -0.071 0.000 2.893 339 T HA 0.414 4.764 4.350 0.001 0.000 0.293 339 T C -0.828 173.839 174.700 -0.055 0.000 1.027 339 T CA -0.614 61.445 62.100 -0.067 0.000 0.988 339 T CB 2.124 70.936 68.868 -0.093 0.000 1.043 339 T HN 0.094 nan 8.240 nan 0.000 0.461 340 V N 2.280 122.181 119.914 -0.022 0.000 2.483 340 V HA 0.880 5.001 4.120 0.001 0.000 0.295 340 V C -0.563 175.532 176.094 0.003 0.000 1.035 340 V CA -0.534 61.771 62.300 0.009 0.000 0.896 340 V CB 1.123 32.983 31.823 0.061 0.000 0.986 340 V HN 1.096 nan 8.190 nan 0.000 0.447 341 A N 5.472 128.289 122.820 -0.004 0.000 2.342 341 A HA 0.943 5.264 4.320 0.001 0.000 0.323 341 A C -0.278 177.362 177.584 0.093 0.000 1.125 341 A CA -0.186 51.868 52.037 0.029 0.000 0.785 341 A CB 1.635 20.604 19.000 -0.051 0.000 1.221 341 A HN 1.808 nan 8.150 nan 0.000 0.463 342 A N 2.036 124.961 122.820 0.175 0.000 2.323 342 A HA 0.615 4.935 4.320 0.001 0.000 0.305 342 A C -0.688 176.990 177.584 0.157 0.000 1.275 342 A CA -0.364 51.766 52.037 0.156 0.000 0.804 342 A CB 0.078 19.260 19.000 0.303 0.000 1.152 342 A HN 1.129 nan 8.150 nan 0.000 0.487 343 H N 1.501 120.474 119.070 -0.162 0.000 2.472 343 H HA 0.726 5.282 4.556 0.001 0.000 0.338 343 H C -1.646 173.370 175.328 -0.520 0.000 1.133 343 H CA -0.710 55.250 56.048 -0.146 0.000 1.216 343 H CB 0.800 30.504 29.762 -0.096 0.000 1.497 343 H HN 0.451 nan 8.280 nan 0.000 0.500 344 F N 2.753 122.100 119.950 -1.005 0.000 2.477 344 F HA 0.289 4.817 4.527 0.001 0.000 0.335 344 F C -0.108 174.949 175.800 -1.239 0.000 1.130 344 F CA -0.840 56.528 58.000 -1.053 0.000 0.948 344 F CB 2.204 40.305 39.000 -1.499 0.000 1.154 344 F HN 0.449 nan 8.300 nan 0.000 0.439 345 T N 2.837 117.103 114.554 -0.479 0.000 2.738 345 T HA 0.224 4.574 4.350 0.001 0.000 0.298 345 T C -0.582 174.060 174.700 -0.097 0.000 0.962 345 T CA -0.442 61.554 62.100 -0.173 0.000 0.972 345 T CB 0.062 69.019 68.868 0.148 0.000 0.928 345 T HN 0.384 nan 8.240 nan 0.000 0.474 346 W N 2.500 123.857 121.300 0.095 0.000 2.332 346 W HA 0.530 5.190 4.660 0.001 0.000 0.351 346 W C 0.662 177.238 176.519 0.095 0.000 1.195 346 W CA -1.390 56.016 57.345 0.102 0.000 1.334 346 W CB 0.477 29.975 29.460 0.064 0.000 1.206 346 W HN 0.462 nan 8.180 nan 0.000 0.637 347 V N -0.249 119.887 119.914 0.369 0.000 3.032 347 V HA -0.016 4.105 4.120 0.001 0.000 0.307 347 V C 0.193 176.403 176.094 0.194 0.000 1.097 347 V CA -0.484 61.949 62.300 0.222 0.000 1.191 347 V CB 0.835 32.756 31.823 0.164 0.000 0.964 347 V HN 0.742 nan 8.190 nan 0.000 0.494 348 E N 2.479 122.765 120.200 0.143 0.000 1.852 348 E HA 0.164 4.515 4.350 0.001 0.000 0.276 348 E C -0.744 175.898 176.600 0.070 0.000 1.163 348 E CA -0.112 56.360 56.400 0.120 0.000 1.117 348 E CB -0.143 29.618 29.700 0.103 0.000 1.124 348 E HN 0.860 nan 8.360 nan 0.000 0.458 349 D N 2.535 122.965 120.400 0.051 0.000 2.364 349 D HA 0.098 4.738 4.640 0.001 0.000 0.251 349 D C 0.483 176.768 176.300 -0.025 0.000 1.282 349 D CA -0.315 53.692 54.000 0.012 0.000 0.927 349 D CB 1.039 41.845 40.800 0.010 0.000 1.267 349 D HN 0.180 nan 8.370 nan 0.000 0.531 350 T N 0.914 115.458 114.554 -0.017 0.000 2.720 350 T HA -0.122 4.228 4.350 0.001 0.000 0.268 350 T C 1.840 176.500 174.700 -0.068 0.000 1.037 350 T CA 1.700 63.778 62.100 -0.038 0.000 1.144 350 T CB 0.114 68.975 68.868 -0.012 0.000 0.864 350 T HN 0.489 nan 8.240 nan 0.000 0.444 351 A N 0.973 123.763 122.820 -0.051 0.000 1.969 351 A HA 0.291 4.612 4.320 0.001 0.000 0.218 351 A C 2.514 180.053 177.584 -0.075 0.000 1.169 351 A CA 1.583 53.587 52.037 -0.055 0.000 0.635 351 A CB -0.738 18.240 19.000 -0.037 0.000 0.810 351 A HN 0.508 nan 8.150 nan 0.000 0.445 352 A N -0.921 121.851 122.820 -0.080 0.000 1.975 352 A HA 0.210 4.531 4.320 0.001 0.000 0.215 352 A C 2.093 179.573 177.584 -0.174 0.000 1.170 352 A CA 1.296 53.276 52.037 -0.095 0.000 0.656 352 A CB -0.438 18.525 19.000 -0.062 0.000 0.821 352 A HN 0.289 nan 8.150 nan 0.000 0.449 353 V N 0.125 119.900 119.914 -0.233 0.000 2.488 353 V HA -0.156 3.964 4.120 0.001 0.000 0.246 353 V C 2.495 178.325 176.094 -0.440 0.000 1.046 353 V CA 1.477 63.499 62.300 -0.463 0.000 1.053 353 V CB -0.641 30.856 31.823 -0.544 0.000 0.679 353 V HN 0.545 nan 8.190 nan 0.000 0.458 354 L N 0.040 121.107 121.223 -0.261 0.000 2.042 354 L HA -0.129 4.211 4.340 0.001 0.000 0.210 354 L C -0.002 176.764 176.870 -0.174 0.000 1.076 354 L CA 1.819 56.545 54.840 -0.190 0.000 0.749 354 L CB -1.811 40.183 42.059 -0.108 0.000 0.893 354 L HN 0.365 nan 8.230 nan 0.000 0.432 355 P HA -0.122 nan 4.420 nan 0.000 0.218 355 P C 1.884 179.088 177.300 -0.160 0.000 1.148 355 P CA 1.062 64.085 63.100 -0.129 0.000 0.822 355 P CB 0.076 31.713 31.700 -0.105 0.000 0.784 356 V N -0.654 119.119 119.914 -0.235 0.000 2.379 356 V HA -0.166 3.955 4.120 0.001 0.000 0.245 356 V C 2.475 178.401 176.094 -0.280 0.000 1.044 356 V CA 1.488 63.627 62.300 -0.270 0.000 1.036 356 V CB -1.134 30.471 31.823 -0.363 0.000 0.664 356 V HN -0.044 nan 8.190 nan 0.000 0.453 357 V N 0.080 119.793 119.914 -0.334 0.000 2.332 357 V HA -0.298 3.823 4.120 0.001 0.000 0.248 357 V C 2.637 178.674 176.094 -0.094 0.000 1.055 357 V CA 2.167 64.372 62.300 -0.159 0.000 1.038 357 V CB -0.790 30.978 31.823 -0.092 0.000 0.651 357 V HN 0.482 nan 8.190 nan 0.000 0.450 358 R N -0.552 119.891 120.500 -0.095 0.000 2.091 358 R HA -0.128 4.212 4.340 0.001 0.000 0.238 358 R C 2.573 178.815 176.300 -0.096 0.000 1.136 358 R CA 1.242 57.301 56.100 -0.069 0.000 0.959 358 R CB -0.361 29.903 30.300 -0.060 0.000 0.856 358 R HN 0.396 nan 8.270 nan 0.000 0.437 359 R N 0.707 121.138 120.500 -0.115 0.000 2.081 359 R HA -0.110 4.230 4.340 0.001 0.000 0.235 359 R C 2.291 178.505 176.300 -0.143 0.000 1.131 359 R CA 0.883 56.913 56.100 -0.116 0.000 0.960 359 R CB -0.827 29.406 30.300 -0.111 0.000 0.856 359 R HN 0.173 nan 8.270 nan 0.000 0.436 360 L N 1.877 122.993 121.223 -0.178 0.000 2.012 360 L HA -0.156 4.184 4.340 0.001 0.000 0.210 360 L C 1.885 178.584 176.870 -0.285 0.000 1.073 360 L CA 1.861 56.556 54.840 -0.241 0.000 0.748 360 L CB -0.528 41.349 42.059 -0.303 0.000 0.891 360 L HN 0.145 nan 8.230 nan 0.000 0.431 361 E N -0.657 119.374 120.200 -0.280 0.000 2.077 361 E HA -0.295 4.056 4.350 0.001 0.000 0.193 361 E C 2.063 178.555 176.600 -0.181 0.000 0.989 361 E CA 1.344 57.577 56.400 -0.278 0.000 0.800 361 E CB -0.177 29.442 29.700 -0.135 0.000 0.746 361 E HN 0.658 nan 8.360 nan 0.000 0.452 362 E N 0.699 120.815 120.200 -0.140 0.000 2.085 362 E HA -0.228 4.123 4.350 0.001 0.000 0.194 362 E C 1.990 178.505 176.600 -0.141 0.000 0.994 362 E CA 1.099 57.425 56.400 -0.122 0.000 0.801 362 E CB -0.072 29.569 29.700 -0.099 0.000 0.743 362 E HN 0.233 nan 8.360 nan 0.000 0.453 363 A N 0.647 123.385 122.820 -0.136 0.000 1.969 363 A HA -0.076 4.245 4.320 0.001 0.000 0.218 363 A C 2.036 179.557 177.584 -0.106 0.000 1.169 363 A CA 0.912 52.884 52.037 -0.109 0.000 0.635 363 A CB -0.283 18.667 19.000 -0.083 0.000 0.810 363 A HN 0.331 nan 8.150 nan 0.000 0.445 364 L N -0.573 120.580 121.223 -0.116 0.000 2.585 364 L HA 0.021 4.362 4.340 0.001 0.000 0.226 364 L C 1.982 178.740 176.870 -0.187 0.000 1.113 364 L CA -0.081 54.749 54.840 -0.018 0.000 0.876 364 L CB -0.057 41.990 42.059 -0.019 0.000 1.072 364 L HN 0.159 nan 8.230 nan 0.000 0.468 365 V N 1.277 121.046 119.914 -0.242 0.000 2.317 365 V HA -0.201 3.920 4.120 0.001 0.000 0.251 365 V C -0.016 175.875 176.094 -0.338 0.000 1.065 365 V CA 2.070 64.233 62.300 -0.227 0.000 1.049 365 V CB -1.666 30.049 31.823 -0.180 0.000 0.651 365 V HN 0.453 nan 8.190 nan 0.000 0.450 366 P HA -0.048 nan 4.420 nan 0.000 0.242 366 P C 0.736 177.643 177.300 -0.655 0.000 1.197 366 P CA 1.016 63.732 63.100 -0.640 0.000 0.765 366 P CB -0.137 31.093 31.700 -0.783 0.000 0.936 367 F N -0.170 119.662 119.950 -0.197 0.000 2.641 367 F HA 0.543 5.071 4.527 0.001 0.000 0.302 367 F C 1.325 177.132 175.800 0.012 0.000 1.098 367 F CA -0.953 56.922 58.000 -0.208 0.000 1.318 367 F CB -0.993 37.925 39.000 -0.137 0.000 1.035 367 F HN -0.117 nan 8.300 nan 0.000 0.551 368 A N 0.553 123.413 122.820 0.066 0.000 2.687 368 A HA -0.013 4.308 4.320 0.001 0.000 0.299 368 A C 0.833 178.445 177.584 0.048 0.000 1.497 368 A CA 0.410 52.473 52.037 0.043 0.000 0.751 368 A CB -1.996 17.044 19.000 0.065 0.000 1.048 368 A HN 0.719 nan 8.150 nan 0.000 0.464 369 A N 0.496 123.357 122.820 0.068 0.000 2.451 369 A HA 0.556 4.877 4.320 0.001 0.000 0.266 369 A C 0.679 178.289 177.584 0.045 0.000 1.119 369 A CA 0.059 52.159 52.037 0.105 0.000 0.786 369 A CB 0.093 19.182 19.000 0.148 0.000 1.061 369 A HN 0.676 nan 8.150 nan 0.000 0.503 370 R N 3.792 124.280 120.500 -0.021 0.000 2.294 370 R HA 0.402 4.743 4.340 0.001 0.000 0.319 370 R C -2.640 173.553 176.300 -0.179 0.000 0.984 370 R CA -1.764 54.235 56.100 -0.167 0.000 0.861 370 R CB 1.402 31.529 30.300 -0.289 0.000 1.104 370 R HN 0.521 nan 8.270 nan 0.000 0.451 371 P HA -0.055 nan 4.420 nan 0.000 0.275 371 P C -0.837 176.156 177.300 -0.510 0.000 1.228 371 P CA -0.138 62.662 63.100 -0.500 0.000 0.786 371 P CB 0.637 31.867 31.700 -0.783 0.000 0.927 372 H N 2.112 120.995 119.070 -0.312 0.000 3.004 372 H HA -0.016 4.540 4.556 0.001 0.000 0.316 372 H C 0.633 176.006 175.328 0.075 0.000 1.014 372 H CA 0.491 56.487 56.048 -0.086 0.000 1.454 372 H CB 0.159 29.975 29.762 0.090 0.000 1.472 372 H HN 0.497 nan 8.280 nan 0.000 0.571 373 W N 2.839 124.331 121.300 0.320 0.000 2.387 373 W HA -0.061 4.599 4.660 0.001 0.000 0.272 373 W C 2.261 179.151 176.519 0.618 0.000 1.224 373 W CA 0.673 58.317 57.345 0.497 0.000 1.210 373 W CB 0.165 29.802 29.460 0.295 0.000 1.125 373 W HN 0.738 nan 8.180 nan 0.000 0.572 374 G N -0.297 109.041 108.800 0.897 0.000 2.985 374 G HA2 0.090 4.050 3.960 0.001 0.000 0.209 374 G HA3 0.090 4.050 3.960 0.001 0.000 0.209 374 G C 0.461 175.670 174.900 0.516 0.000 1.165 374 G CA -0.167 45.276 45.100 0.572 0.000 0.776 374 G HN 0.072 nan 8.290 nan 0.000 0.541 375 K N -0.765 119.964 120.400 0.549 0.000 2.316 375 K HA 0.565 4.886 4.320 0.001 0.000 0.234 375 K C -0.760 176.101 176.600 0.435 0.000 1.054 375 K CA -0.944 55.595 56.287 0.420 0.000 0.879 375 K CB 2.255 34.856 32.500 0.167 0.000 1.252 375 K HN -0.155 nan 8.250 nan 0.000 0.471 376 V N 2.795 122.894 119.914 0.309 0.000 2.508 376 V HA 0.232 4.353 4.120 0.001 0.000 0.281 376 V C -0.553 175.733 176.094 0.319 0.000 1.041 376 V CA 0.254 62.694 62.300 0.235 0.000 1.016 376 V CB -0.833 31.124 31.823 0.223 0.000 0.984 376 V HN 0.619 nan 8.190 nan 0.000 0.478 377 F N 1.565 121.642 119.950 0.212 0.000 2.668 377 F HA 0.651 5.179 4.527 0.001 0.000 0.309 377 F C 0.296 176.199 175.800 0.172 0.000 1.117 377 F CA -0.519 57.608 58.000 0.212 0.000 0.951 377 F CB 1.756 40.868 39.000 0.186 0.000 1.323 377 F HN 0.294 nan 8.300 nan 0.000 0.451 378 T N -1.795 112.970 114.554 0.353 0.000 3.043 378 T HA 0.277 4.628 4.350 0.001 0.000 0.272 378 T C -0.007 174.852 174.700 0.264 0.000 0.990 378 T CA -0.015 62.206 62.100 0.201 0.000 0.897 378 T CB -0.361 68.564 68.868 0.094 0.000 1.111 378 T HN 0.504 nan 8.240 nan 0.000 0.529 379 V N 4.340 124.497 119.914 0.405 0.000 2.539 379 V HA 0.171 4.292 4.120 0.001 0.000 0.300 379 V C -1.919 174.314 176.094 0.231 0.000 1.019 379 V CA -1.112 61.341 62.300 0.255 0.000 1.160 379 V CB -0.192 31.743 31.823 0.187 0.000 0.901 379 V HN 0.387 nan 8.190 nan 0.000 0.481 380 P HA 0.164 nan 4.420 nan 0.000 0.269 380 P C 0.690 178.061 177.300 0.119 0.000 1.215 380 P CA 0.036 63.203 63.100 0.113 0.000 0.780 380 P CB 0.727 32.468 31.700 0.069 0.000 0.898 381 A N 3.034 125.920 122.820 0.110 0.000 1.917 381 A HA -0.169 4.152 4.320 0.001 0.000 0.219 381 A C 2.297 179.940 177.584 0.097 0.000 1.182 381 A CA 2.374 54.476 52.037 0.108 0.000 0.633 381 A CB -1.869 17.178 19.000 0.079 0.000 0.819 381 A HN 0.653 nan 8.150 nan 0.000 0.448 382 G N -1.042 107.801 108.800 0.073 0.000 2.408 382 G HA2 -0.177 3.783 3.960 0.001 0.000 0.217 382 G HA3 -0.177 3.783 3.960 0.001 0.000 0.217 382 G C 1.453 176.392 174.900 0.064 0.000 1.150 382 G CA 0.952 46.090 45.100 0.062 0.000 0.776 382 G HN 0.657 nan 8.290 nan 0.000 0.542 383 E N -0.557 119.680 120.200 0.061 0.000 2.072 383 E HA -0.063 4.287 4.350 0.001 0.000 0.191 383 E C 2.455 179.097 176.600 0.070 0.000 0.985 383 E CA 0.298 56.728 56.400 0.049 0.000 0.801 383 E CB -0.102 29.621 29.700 0.038 0.000 0.750 383 E HN 0.219 nan 8.360 nan 0.000 0.452 384 L N 1.234 122.520 121.223 0.105 0.000 1.989 384 L HA -0.203 4.137 4.340 0.001 0.000 0.211 384 L C 2.196 179.222 176.870 0.260 0.000 1.071 384 L CA 1.718 56.659 54.840 0.168 0.000 0.749 384 L CB -0.614 41.565 42.059 0.201 0.000 0.890 384 L HN 0.044 nan 8.230 nan 0.000 0.431 385 R N -0.976 119.644 120.500 0.200 0.000 2.091 385 R HA -0.145 4.195 4.340 0.001 0.000 0.238 385 R C 2.098 178.498 176.300 0.166 0.000 1.136 385 R CA 1.360 57.575 56.100 0.193 0.000 0.959 385 R CB -0.669 29.704 30.300 0.122 0.000 0.856 385 R HN 0.402 nan 8.270 nan 0.000 0.437 386 A N 1.087 123.971 122.820 0.106 0.000 2.070 386 A HA -0.087 4.234 4.320 0.001 0.000 0.220 386 A C 2.020 179.630 177.584 0.042 0.000 1.159 386 A CA 1.051 53.126 52.037 0.063 0.000 0.656 386 A CB -0.375 18.647 19.000 0.036 0.000 0.800 386 A HN 0.199 nan 8.150 nan 0.000 0.453 387 L N -2.251 118.994 121.223 0.037 0.000 2.492 387 L HA 0.050 4.390 4.340 0.001 0.000 0.223 387 L C -0.162 176.550 176.870 -0.263 0.000 1.132 387 L CA 0.234 55.000 54.840 -0.124 0.000 0.850 387 L CB -0.065 41.858 42.059 -0.228 0.000 0.966 387 L HN 0.388 nan 8.230 nan 0.000 0.454 388 Y N -0.589 119.742 120.300 0.051 0.000 2.464 388 Y HA 0.276 4.826 4.550 0.001 0.000 0.326 388 Y C -1.541 174.345 175.900 -0.023 0.000 0.969 388 Y CA -2.168 55.952 58.100 0.033 0.000 1.270 388 Y CB 0.750 39.245 38.460 0.058 0.000 1.103 388 Y HN -0.125 nan 8.280 nan 0.000 0.491 389 P HA -0.159 nan 4.420 nan 0.000 0.217 389 P C 0.907 178.155 177.300 -0.087 0.000 1.148 389 P CA 1.445 64.559 63.100 0.024 0.000 0.828 389 P CB 0.407 32.170 31.700 0.105 0.000 0.783 390 R N -1.337 119.030 120.500 -0.222 0.000 2.507 390 R HA 0.225 4.565 4.340 0.001 0.000 0.298 390 R C 1.575 177.733 176.300 -0.236 0.000 0.999 390 R CA -0.291 55.570 56.100 -0.399 0.000 1.082 390 R CB -0.817 28.999 30.300 -0.807 0.000 1.246 390 R HN 0.223 nan 8.270 nan 0.000 0.553 391 L N 1.298 122.494 121.223 -0.046 0.000 2.046 391 L HA -0.085 4.255 4.340 0.001 0.000 0.208 391 L C 2.106 179.000 176.870 0.039 0.000 1.077 391 L CA 2.021 56.886 54.840 0.042 0.000 0.747 391 L CB -0.499 41.612 42.059 0.088 0.000 0.896 391 L HN 0.196 nan 8.230 nan 0.000 0.432 392 A N -0.525 122.276 122.820 -0.031 0.000 1.908 392 A HA -0.290 4.031 4.320 0.001 0.000 0.218 392 A C 1.912 179.435 177.584 -0.103 0.000 1.181 392 A CA 2.143 54.151 52.037 -0.048 0.000 0.627 392 A CB -1.109 17.854 19.000 -0.062 0.000 0.818 392 A HN 0.586 nan 8.150 nan 0.000 0.445 393 D N -1.333 118.911 120.400 -0.259 0.000 2.123 393 D HA -0.166 4.474 4.640 0.001 0.000 0.196 393 D C 1.542 177.763 176.300 -0.133 0.000 0.992 393 D CA 1.575 55.315 54.000 -0.433 0.000 0.833 393 D CB -0.308 39.755 40.800 -1.227 0.000 0.954 393 D HN 0.499 nan 8.370 nan 0.000 0.455 394 F N 1.208 121.135 119.950 -0.039 0.000 2.102 394 F HA -0.051 4.476 4.527 0.001 0.000 0.298 394 F C 2.331 178.180 175.800 0.082 0.000 1.105 394 F CA 1.837 59.960 58.000 0.204 0.000 1.239 394 F CB -0.636 38.463 39.000 0.165 0.000 0.991 394 F HN -0.019 nan 8.300 nan 0.000 0.474 395 G N -0.353 108.465 108.800 0.029 0.000 2.442 395 G HA2 -0.256 3.705 3.960 0.001 0.000 0.219 395 G HA3 -0.256 3.705 3.960 0.001 0.000 0.219 395 G C 1.817 176.646 174.900 -0.119 0.000 1.141 395 G CA 0.864 45.936 45.100 -0.048 0.000 0.763 395 G HN 0.619 nan 8.290 nan 0.000 0.554 396 A N 0.365 123.131 122.820 -0.090 0.000 1.902 396 A HA 0.069 4.390 4.320 0.001 0.000 0.217 396 A C 2.346 179.875 177.584 -0.093 0.000 1.181 396 A CA 1.702 53.694 52.037 -0.075 0.000 0.623 396 A CB -0.428 18.539 19.000 -0.055 0.000 0.818 396 A HN 0.459 nan 8.150 nan 0.000 0.443 397 L N -0.222 120.930 121.223 -0.118 0.000 2.056 397 L HA -0.011 4.330 4.340 0.001 0.000 0.207 397 L C 2.632 179.365 176.870 -0.228 0.000 1.078 397 L CA 2.186 56.953 54.840 -0.121 0.000 0.749 397 L CB -0.903 41.122 42.059 -0.056 0.000 0.901 397 L HN 0.329 nan 8.230 nan 0.000 0.433 398 A N -0.456 122.114 122.820 -0.417 0.000 1.902 398 A HA -0.081 4.240 4.320 0.001 0.000 0.217 398 A C 2.342 179.847 177.584 -0.133 0.000 1.181 398 A CA 1.552 53.396 52.037 -0.322 0.000 0.623 398 A CB -1.599 17.156 19.000 -0.407 0.000 0.818 398 A HN 0.534 nan 8.150 nan 0.000 0.443 399 G N -0.690 108.044 108.800 -0.111 0.000 2.422 399 G HA2 0.021 3.982 3.960 0.001 0.000 0.218 399 G HA3 0.021 3.982 3.960 0.001 0.000 0.218 399 G C 1.672 176.551 174.900 -0.035 0.000 1.146 399 G CA 1.411 46.480 45.100 -0.051 0.000 0.769 399 G HN 0.779 nan 8.290 nan 0.000 0.547 400 A N 0.299 123.092 122.820 -0.045 0.000 1.872 400 A HA 0.252 4.572 4.320 0.001 0.000 0.214 400 A C 2.347 179.921 177.584 -0.016 0.000 1.187 400 A CA 0.935 52.958 52.037 -0.024 0.000 0.614 400 A CB -0.295 18.694 19.000 -0.019 0.000 0.826 400 A HN 0.325 nan 8.150 nan 0.000 0.442 401 L N -1.215 119.990 121.223 -0.029 0.000 2.341 401 L HA 0.052 4.393 4.340 0.001 0.000 0.214 401 L C 0.391 177.277 176.870 0.027 0.000 1.115 401 L CA 0.790 55.623 54.840 -0.012 0.000 0.820 401 L CB 0.160 42.194 42.059 -0.041 0.000 0.944 401 L HN 0.328 nan 8.230 nan 0.000 0.452 402 D N -0.839 119.579 120.400 0.031 0.000 2.735 402 D HA 0.127 4.768 4.640 0.001 0.000 0.291 402 D C -1.686 174.639 176.300 0.041 0.000 1.205 402 D CA -1.580 52.471 54.000 0.084 0.000 0.777 402 D CB 0.814 41.719 40.800 0.176 0.000 1.234 402 D HN -0.128 nan 8.370 nan 0.000 0.520 403 P HA -0.074 nan 4.420 nan 0.000 0.220 403 P C 1.005 178.309 177.300 0.006 0.000 1.148 403 P CA 0.620 63.726 63.100 0.008 0.000 0.803 403 P CB 0.309 32.012 31.700 0.006 0.000 0.782 404 A N -0.540 122.283 122.820 0.005 0.000 2.251 404 A HA 0.433 4.754 4.320 0.001 0.000 0.209 404 A C 1.586 179.163 177.584 -0.012 0.000 1.187 404 A CA 0.647 52.679 52.037 -0.008 0.000 0.823 404 A CB -1.214 17.773 19.000 -0.021 0.000 0.846 404 A HN 0.253 nan 8.150 nan 0.000 0.486 405 G N 0.267 109.071 108.800 0.006 0.000 2.221 405 G HA2 -0.341 3.620 3.960 0.001 0.000 0.265 405 G HA3 -0.341 3.620 3.960 0.001 0.000 0.265 405 G C 0.804 175.684 174.900 -0.034 0.000 1.041 405 G CA 0.897 46.006 45.100 0.016 0.000 0.807 405 G HN 0.635 nan 8.290 nan 0.000 0.502 406 K N -0.866 119.469 120.400 -0.109 0.000 2.113 406 K HA -0.022 4.298 4.320 0.001 0.000 0.208 406 K C 1.512 177.833 176.600 -0.465 0.000 1.047 406 K CA 1.801 57.884 56.287 -0.339 0.000 0.928 406 K CB -0.182 31.987 32.500 -0.552 0.000 0.716 406 K HN 0.441 nan 8.250 nan 0.000 0.446 407 F N 0.288 120.240 119.950 0.004 0.000 2.693 407 F HA 0.158 4.686 4.527 0.001 0.000 0.303 407 F C 0.199 176.015 175.800 0.027 0.000 1.097 407 F CA -0.038 57.967 58.000 0.009 0.000 1.330 407 F CB 0.663 39.667 39.000 0.006 0.000 1.067 407 F HN -0.252 nan 8.300 nan 0.000 0.565 408 T N 2.612 117.241 114.554 0.126 0.000 2.733 408 T HA 0.237 4.588 4.350 0.001 0.000 0.294 408 T C 0.150 174.902 174.700 0.086 0.000 0.956 408 T CA -0.655 61.515 62.100 0.118 0.000 0.987 408 T CB 0.438 69.363 68.868 0.094 0.000 0.920 408 T HN 0.162 nan 8.240 nan 0.000 0.470 409 N N 2.255 121.025 118.700 0.116 0.000 2.725 409 N HA 0.521 5.262 4.740 0.001 0.000 0.312 409 N C 1.384 176.976 175.510 0.138 0.000 1.295 409 N CA -0.709 52.406 53.050 0.109 0.000 0.914 409 N CB 0.147 38.702 38.487 0.113 0.000 1.177 409 N HN 0.362 nan 8.380 nan 0.000 0.601 410 A N -0.345 122.559 122.820 0.139 0.000 1.933 410 A HA -0.094 4.227 4.320 0.001 0.000 0.218 410 A C 1.935 179.627 177.584 0.179 0.000 1.175 410 A CA 1.057 53.174 52.037 0.133 0.000 0.628 410 A CB -1.162 17.908 19.000 0.117 0.000 0.814 410 A HN 0.620 nan 8.150 nan 0.000 0.444 411 F N 0.514 120.512 119.950 0.080 0.000 2.075 411 F HA -0.165 4.363 4.527 0.001 0.000 0.297 411 F C 2.231 178.086 175.800 0.093 0.000 1.113 411 F CA 2.135 60.198 58.000 0.104 0.000 1.218 411 F CB -0.141 38.929 39.000 0.117 0.000 0.984 411 F HN 0.035 nan 8.300 nan 0.000 0.472 412 V N 0.831 120.958 119.914 0.355 0.000 2.427 412 V HA -0.260 3.861 4.120 0.001 0.000 0.248 412 V C 2.488 178.635 176.094 0.088 0.000 1.051 412 V CA 2.135 64.552 62.300 0.194 0.000 1.048 412 V CB -0.789 31.153 31.823 0.197 0.000 0.666 412 V HN 0.314 nan 8.190 nan 0.000 0.456 413 R N 0.297 120.854 120.500 0.095 0.000 2.096 413 R HA -0.128 4.213 4.340 0.001 0.000 0.235 413 R C 2.336 178.661 176.300 0.041 0.000 1.127 413 R CA 1.686 57.825 56.100 0.065 0.000 0.968 413 R CB -0.674 29.664 30.300 0.064 0.000 0.861 413 R HN 0.537 nan 8.270 nan 0.000 0.440 414 G N -0.026 108.788 108.800 0.024 0.000 2.421 414 G HA2 -0.209 3.751 3.960 0.001 0.000 0.216 414 G HA3 -0.209 3.751 3.960 0.001 0.000 0.216 414 G C 1.398 176.303 174.900 0.010 0.000 1.171 414 G CA 0.887 45.992 45.100 0.008 0.000 0.775 414 G HN 0.213 nan 8.290 nan 0.000 0.543 415 V N 1.148 121.047 119.914 -0.026 0.000 2.255 415 V HA -0.163 3.958 4.120 0.001 0.000 0.247 415 V C 2.863 178.979 176.094 0.036 0.000 1.051 415 V CA 1.676 63.980 62.300 0.006 0.000 1.018 415 V CB -0.487 31.276 31.823 -0.101 0.000 0.641 415 V HN 0.344 nan 8.190 nan 0.000 0.445 416 L N -0.404 120.841 121.223 0.037 0.000 2.313 416 L HA 0.143 4.484 4.340 0.001 0.000 0.214 416 L C 1.624 178.525 176.870 0.052 0.000 1.119 416 L CA 0.353 55.229 54.840 0.061 0.000 0.809 416 L CB -0.637 41.472 42.059 0.083 0.000 0.933 416 L HN 0.338 nan 8.230 nan 0.000 0.449 417 A N 0.000 122.847 122.820 0.045 0.000 2.254 417 A HA 0.000 4.321 4.320 0.001 0.000 0.244 417 A CA 0.000 52.060 52.037 0.038 0.000 0.836 417 A CB 0.000 19.021 19.000 0.035 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486