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 3lad_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQKFDVIVIG AGPGGYVAAI KSAQLGLKTA LIEKYKGKEG KTALGGTcLN DATA SEQUENCE VGcIPSKALL DSSYKFHEAH ESFKLHGIST GEVAIDVPTM IARKDQIVRN DATA SEQUENCE LTGGVASLIK ANGVTLFEGH GKLLAGKKVE VTAADGSSQV LDTENVILAS DATA SEQUENCE GSKPVEIPPA PVDQDVIVDS TGALDFQNVP GKLGVIGAGV IGLELGSVWA DATA SEQUENCE RLGAEVTVLE AMDKFLPAVD EQVAKEAQKI LTKQGLKILL GARVTGTEVK DATA SEQUENCE NKQVTVKFVD AEGEKSQAFD KLIVAVGRRP VTTDLLAADS GVTLDERGFI DATA SEQUENCE YVDDYCATSV PGVYAIGDVV RGAMLAHKAS EEGVVVAERI AGHKAQMNYD DATA SEQUENCE LIPAVIYTHP EIAGVGKTEQ ALKAEGVAIN VGVFPFAASG RAMAANDTAG DATA SEQUENCE FVKVIADAKT DRVLGVHVIG PSAAELVQQG AIAMEFGTSA EDLGMMVFAH DATA SEQUENCE PALSEALHEA ALAVSGHAIH VA 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.631 174.600 0.052 0.000 1.055 1 S CA 0.000 58.228 58.200 0.046 0.000 1.107 1 S CB 0.000 63.234 63.200 0.056 0.000 0.593 2 Q N 1.453 121.277 119.800 0.040 0.000 1.948 2 Q HA -0.361 3.981 4.340 0.002 0.000 0.186 2 Q C -0.150 175.666 176.000 -0.307 0.000 0.901 2 Q CA 2.311 58.078 55.803 -0.060 0.000 1.397 2 Q CB -0.374 28.427 28.738 0.104 0.000 1.729 2 Q HN 0.594 nan 8.270 nan 0.000 0.554 3 K N -0.550 119.721 120.400 -0.214 0.000 6.729 3 K HA -0.207 4.114 4.320 0.002 0.000 0.698 3 K C -1.224 175.108 176.600 -0.446 0.000 2.405 3 K CA 1.469 57.638 56.287 -0.197 0.000 1.737 3 K CB -0.862 31.575 32.500 -0.105 0.000 1.870 3 K HN 0.220 nan 8.250 nan 0.000 0.294 4 F N 1.720 121.683 119.950 0.021 0.000 2.631 4 F HA 0.324 4.852 4.527 0.002 0.000 0.328 4 F C 1.540 177.355 175.800 0.025 0.000 1.067 4 F CA -0.707 57.312 58.000 0.031 0.000 0.969 4 F CB 1.265 40.285 39.000 0.034 0.000 1.332 4 F HN 0.387 nan 8.300 nan 0.000 0.490 5 D N -0.302 120.246 120.400 0.247 0.000 2.463 5 D HA 0.198 4.839 4.640 0.002 0.000 0.237 5 D C -0.415 175.966 176.300 0.135 0.000 1.013 5 D CA 1.031 55.115 54.000 0.140 0.000 0.910 5 D CB 0.944 41.802 40.800 0.096 0.000 1.080 5 D HN 0.025 nan 8.370 nan 0.000 0.498 6 V N 1.475 121.481 119.914 0.154 0.000 2.709 6 V HA 0.431 4.552 4.120 0.002 0.000 0.308 6 V C -0.698 175.423 176.094 0.045 0.000 1.062 6 V CA -0.722 61.633 62.300 0.093 0.000 0.901 6 V CB 2.881 34.738 31.823 0.058 0.000 1.003 6 V HN -0.079 nan 8.190 nan 0.000 0.425 7 I N 4.180 124.745 120.570 -0.009 0.000 2.498 7 I HA 0.544 4.716 4.170 0.002 0.000 0.290 7 I C -0.841 175.246 176.117 -0.050 0.000 1.032 7 I CA -0.956 60.279 61.300 -0.110 0.000 1.073 7 I CB 2.202 40.090 38.000 -0.186 0.000 1.251 7 I HN 0.217 nan 8.210 nan 0.000 0.426 8 V N 7.067 126.950 119.914 -0.052 0.000 2.417 8 V HA 0.415 4.536 4.120 0.002 0.000 0.291 8 V C 0.057 176.134 176.094 -0.028 0.000 1.024 8 V CA -0.416 61.872 62.300 -0.019 0.000 0.861 8 V CB 1.892 33.715 31.823 0.000 0.000 0.985 8 V HN 0.482 nan 8.190 nan 0.000 0.436 9 I N 5.033 125.586 120.570 -0.028 0.000 2.310 9 I HA 0.687 4.859 4.170 0.002 0.000 0.287 9 I C 0.650 176.749 176.117 -0.030 0.000 1.073 9 I CA 0.052 61.326 61.300 -0.044 0.000 1.216 9 I CB 0.952 38.911 38.000 -0.068 0.000 1.415 9 I HN 0.863 nan 8.210 nan 0.000 0.480 10 G N 4.241 113.033 108.800 -0.013 0.000 3.014 10 G HA2 0.173 4.134 3.960 0.002 0.000 0.683 10 G HA3 0.173 4.134 3.960 0.002 0.000 0.683 10 G C -0.453 174.469 174.900 0.036 0.000 1.271 10 G CA -0.330 44.773 45.100 0.005 0.000 0.843 10 G HN 0.732 nan 8.290 nan 0.000 0.612 11 A N 1.229 124.085 122.820 0.061 0.000 2.701 11 A HA 0.775 5.097 4.320 0.002 0.000 0.297 11 A C 1.347 179.034 177.584 0.172 0.000 1.197 11 A CA 1.086 53.192 52.037 0.116 0.000 0.963 11 A CB -0.148 18.909 19.000 0.096 0.000 1.175 11 A HN 2.140 nan 8.150 nan 0.000 0.531 12 G N 0.273 109.135 108.800 0.104 0.000 2.653 12 G HA2 0.395 4.357 3.960 0.002 0.000 0.265 12 G HA3 0.395 4.357 3.960 0.002 0.000 0.265 12 G C -0.805 174.162 174.900 0.112 0.000 1.237 12 G CA -0.797 44.362 45.100 0.098 0.000 0.946 12 G HN 0.109 nan 8.290 nan 0.000 0.522 13 P HA -0.181 nan 4.420 nan 0.000 0.216 13 P C 1.978 179.077 177.300 -0.335 0.000 1.157 13 P CA 1.999 64.983 63.100 -0.192 0.000 0.880 13 P CB -0.204 31.461 31.700 -0.059 0.000 0.791 14 G N 0.111 108.812 108.800 -0.166 0.000 2.480 14 G HA2 -0.225 3.736 3.960 0.002 0.000 0.216 14 G HA3 -0.225 3.736 3.960 0.002 0.000 0.216 14 G C 1.925 176.734 174.900 -0.152 0.000 1.200 14 G CA 1.179 46.190 45.100 -0.148 0.000 0.782 14 G HN 0.405 nan 8.290 nan 0.000 0.554 15 G N 0.105 108.856 108.800 -0.082 0.000 2.421 15 G HA2 -0.099 3.862 3.960 0.002 0.000 0.217 15 G HA3 -0.099 3.862 3.960 0.002 0.000 0.217 15 G C 1.686 176.582 174.900 -0.006 0.000 1.143 15 G CA 1.310 46.391 45.100 -0.033 0.000 0.784 15 G HN 0.660 nan 8.290 nan 0.000 0.541 16 Y N 0.173 120.465 120.300 -0.012 0.000 2.337 16 Y HA 0.213 4.764 4.550 0.003 0.000 0.293 16 Y C 2.287 178.181 175.900 -0.011 0.000 1.123 16 Y CA 0.496 58.590 58.100 -0.010 0.000 1.201 16 Y CB -0.641 37.813 38.460 -0.009 0.000 1.011 16 Y HN -0.021 nan 8.280 nan 0.000 0.545 17 V N 1.333 120.970 119.914 -0.462 0.000 2.427 17 V HA -0.216 3.905 4.120 0.002 0.000 0.248 17 V C 2.844 178.863 176.094 -0.123 0.000 1.051 17 V CA 1.645 63.770 62.300 -0.291 0.000 1.048 17 V CB -1.251 30.307 31.823 -0.441 0.000 0.666 17 V HN 0.632 nan 8.190 nan 0.000 0.456 18 A N -0.050 122.702 122.820 -0.114 0.000 1.940 18 A HA -0.145 4.177 4.320 0.002 0.000 0.219 18 A C 2.379 179.944 177.584 -0.031 0.000 1.176 18 A CA 2.166 54.161 52.037 -0.070 0.000 0.631 18 A CB -0.616 18.350 19.000 -0.058 0.000 0.814 18 A HN 0.566 nan 8.150 nan 0.000 0.446 19 A N -0.257 122.564 122.820 0.002 0.000 1.872 19 A HA 0.039 4.360 4.320 0.002 0.000 0.214 19 A C 2.116 179.722 177.584 0.038 0.000 1.187 19 A CA 1.227 53.281 52.037 0.029 0.000 0.614 19 A CB -0.521 18.512 19.000 0.055 0.000 0.826 19 A HN 0.454 nan 8.150 nan 0.000 0.442 20 I N -0.582 120.019 120.570 0.051 0.000 2.163 20 I HA -0.290 3.881 4.170 0.002 0.000 0.243 20 I C 2.583 178.712 176.117 0.020 0.000 1.085 20 I CA 2.059 63.388 61.300 0.049 0.000 1.347 20 I CB -0.165 37.882 38.000 0.078 0.000 1.044 20 I HN 0.305 nan 8.210 nan 0.000 0.408 21 K N 0.907 121.305 120.400 -0.003 0.000 2.097 21 K HA -0.094 4.227 4.320 0.002 0.000 0.205 21 K C 2.108 178.700 176.600 -0.014 0.000 1.050 21 K CA 1.548 57.825 56.287 -0.017 0.000 0.938 21 K CB -0.056 32.419 32.500 -0.041 0.000 0.718 21 K HN 0.161 nan 8.250 nan 0.000 0.442 22 S N 0.466 116.159 115.700 -0.011 0.000 2.382 22 S HA -0.137 4.335 4.470 0.002 0.000 0.228 22 S C 2.075 176.685 174.600 0.016 0.000 1.027 22 S CA 1.081 59.279 58.200 -0.003 0.000 0.991 22 S CB -0.446 62.758 63.200 0.006 0.000 0.823 22 S HN 0.488 nan 8.310 nan 0.000 0.469 23 A N 1.591 124.427 122.820 0.027 0.000 1.873 23 A HA -0.148 4.173 4.320 0.002 0.000 0.215 23 A C 2.131 179.729 177.584 0.024 0.000 1.186 23 A CA 1.344 53.403 52.037 0.036 0.000 0.616 23 A CB -0.721 18.303 19.000 0.041 0.000 0.823 23 A HN 0.499 nan 8.150 nan 0.000 0.442 24 Q N -0.609 119.201 119.800 0.017 0.000 2.234 24 Q HA -0.080 4.261 4.340 0.002 0.000 0.206 24 Q C 1.635 177.639 176.000 0.007 0.000 0.980 24 Q CA 1.193 57.002 55.803 0.010 0.000 0.869 24 Q CB -0.272 28.469 28.738 0.005 0.000 0.912 24 Q HN 0.695 nan 8.270 nan 0.000 0.436 25 L N -1.874 119.352 121.223 0.004 0.000 2.558 25 L HA 0.159 4.501 4.340 0.002 0.000 0.225 25 L C 1.237 178.112 176.870 0.008 0.000 1.128 25 L CA 0.543 55.384 54.840 0.001 0.000 0.868 25 L CB 0.283 42.336 42.059 -0.009 0.000 1.006 25 L HN 0.408 nan 8.230 nan 0.000 0.454 26 G N -0.017 108.792 108.800 0.015 0.000 2.211 26 G HA2 -0.189 3.772 3.960 0.002 0.000 0.201 26 G HA3 -0.189 3.772 3.960 0.002 0.000 0.201 26 G C 0.122 175.038 174.900 0.026 0.000 0.997 26 G CA -0.601 44.510 45.100 0.018 0.000 0.652 26 G HN 0.116 nan 8.290 nan 0.000 0.500 27 L N 1.289 122.532 121.223 0.033 0.000 2.305 27 L HA 0.414 4.755 4.340 0.002 0.000 0.281 27 L C 0.598 177.516 176.870 0.081 0.000 1.085 27 L CA -0.590 54.281 54.840 0.051 0.000 0.813 27 L CB 1.001 43.089 42.059 0.047 0.000 1.157 27 L HN 0.018 nan 8.230 nan 0.000 0.436 28 K N 2.127 122.587 120.400 0.100 0.000 2.363 28 K HA 0.174 4.496 4.320 0.002 0.000 0.289 28 K C -0.027 176.753 176.600 0.299 0.000 1.063 28 K CA 0.020 56.403 56.287 0.161 0.000 0.967 28 K CB 0.686 33.233 32.500 0.077 0.000 0.987 28 K HN 0.472 nan 8.250 nan 0.000 0.473 29 T N 1.197 115.917 114.554 0.277 0.000 2.856 29 T HA 0.641 4.992 4.350 0.002 0.000 0.283 29 T C -1.288 173.507 174.700 0.159 0.000 1.008 29 T CA -0.665 61.556 62.100 0.201 0.000 0.997 29 T CB 1.170 70.100 68.868 0.103 0.000 0.992 29 T HN 0.569 nan 8.240 nan 0.000 0.454 30 A N 3.938 126.716 122.820 -0.070 0.000 2.355 30 A HA 0.789 5.111 4.320 0.002 0.000 0.317 30 A C -1.238 176.312 177.584 -0.057 0.000 1.094 30 A CA -0.709 51.213 52.037 -0.191 0.000 0.764 30 A CB 1.281 19.767 19.000 -0.857 0.000 1.230 30 A HN 0.781 nan 8.150 nan 0.000 0.448 31 L N 2.827 124.081 121.223 0.051 0.000 2.317 31 L HA 0.759 5.101 4.340 0.002 0.000 0.281 31 L C -0.930 176.003 176.870 0.106 0.000 1.024 31 L CA -0.277 54.596 54.840 0.054 0.000 0.810 31 L CB 1.072 43.162 42.059 0.052 0.000 1.240 31 L HN 0.603 nan 8.230 nan 0.000 0.427 32 I N 3.939 124.545 120.570 0.059 0.000 2.509 32 I HA 0.629 4.801 4.170 0.002 0.000 0.293 32 I C -0.942 175.202 176.117 0.044 0.000 1.020 32 I CA -0.532 60.809 61.300 0.068 0.000 1.088 32 I CB 2.052 40.048 38.000 -0.007 0.000 1.267 32 I HN 0.627 nan 8.210 nan 0.000 0.430 33 E N 4.477 124.713 120.200 0.059 0.000 2.422 33 E HA 0.333 4.685 4.350 0.002 0.000 0.289 33 E C -1.301 175.345 176.600 0.077 0.000 0.985 33 E CA -0.823 55.614 56.400 0.061 0.000 0.812 33 E CB 1.204 30.947 29.700 0.071 0.000 1.226 33 E HN 0.495 nan 8.360 nan 0.000 0.419 34 K N 2.453 122.909 120.400 0.093 0.000 2.413 34 K HA 0.251 4.573 4.320 0.002 0.000 0.204 34 K C -0.325 176.341 176.600 0.111 0.000 1.041 34 K CA -0.372 55.974 56.287 0.098 0.000 1.082 34 K CB -0.091 32.483 32.500 0.123 0.000 0.871 34 K HN 0.346 nan 8.250 nan 0.000 0.535 35 Y N 2.519 122.833 120.300 0.023 0.000 2.377 35 Y HA 0.400 4.952 4.550 0.003 0.000 0.330 35 Y C -0.109 175.797 175.900 0.010 0.000 1.108 35 Y CA -0.263 57.847 58.100 0.017 0.000 1.308 35 Y CB 0.364 38.831 38.460 0.012 0.000 1.216 35 Y HN 0.138 nan 8.280 nan 0.000 0.518 36 K N 4.314 124.360 120.400 -0.591 0.000 2.213 36 K HA 0.672 4.994 4.320 0.002 0.000 0.270 36 K C 0.046 176.204 176.600 -0.736 0.000 1.002 36 K CA -0.310 55.715 56.287 -0.436 0.000 0.868 36 K CB 0.703 33.032 32.500 -0.286 0.000 1.093 36 K HN 1.083 nan 8.250 nan 0.000 0.454 37 G N 1.646 110.243 108.800 -0.339 0.000 2.420 37 G HA2 0.396 4.357 3.960 0.002 0.000 0.284 37 G HA3 0.396 4.357 3.960 0.002 0.000 0.284 37 G C 0.083 174.921 174.900 -0.104 0.000 1.177 37 G CA -0.708 44.308 45.100 -0.139 0.000 0.841 37 G HN 0.801 nan 8.290 nan 0.000 0.527 38 K N -0.012 120.367 120.400 -0.034 0.000 2.079 38 K HA 0.435 4.756 4.320 0.002 0.000 0.255 38 K C 0.469 177.062 176.600 -0.011 0.000 1.114 38 K CA 0.812 57.084 56.287 -0.025 0.000 1.056 38 K CB 0.106 32.610 32.500 0.008 0.000 1.176 38 K HN 0.777 nan 8.250 nan 0.000 0.353 39 E N 1.560 121.743 120.200 -0.027 0.000 1.374 39 E HA 0.056 4.407 4.350 0.002 0.000 0.215 39 E C 1.007 177.588 176.600 -0.031 0.000 1.048 39 E CA 0.544 56.932 56.400 -0.019 0.000 1.129 39 E CB -0.774 28.919 29.700 -0.010 0.000 4.608 39 E HN 0.696 nan 8.360 nan 0.000 0.729 40 G N -1.032 107.738 108.800 -0.050 0.000 4.077 40 G HA2 0.446 4.408 3.960 0.002 0.000 0.199 40 G HA3 0.446 4.408 3.960 0.002 0.000 0.199 40 G C 1.136 175.997 174.900 -0.065 0.000 1.302 40 G CA 0.991 46.058 45.100 -0.055 0.000 0.918 40 G HN 1.410 nan 8.290 nan 0.000 0.369 41 K N 1.198 121.568 120.400 -0.050 0.000 2.117 41 K HA 0.724 5.046 4.320 0.002 0.000 0.240 41 K C 0.590 177.160 176.600 -0.049 0.000 1.031 41 K CA 0.522 56.783 56.287 -0.043 0.000 0.909 41 K CB -0.676 31.808 32.500 -0.026 0.000 1.097 41 K HN 0.759 nan 8.250 nan 0.000 0.492 42 T N 1.133 115.670 114.554 -0.027 0.000 2.831 42 T HA 0.436 4.788 4.350 0.002 0.000 0.291 42 T C 0.086 174.803 174.700 0.028 0.000 0.981 42 T CA 0.441 62.541 62.100 -0.001 0.000 1.174 42 T CB 0.059 68.932 68.868 0.010 0.000 0.929 42 T HN 0.895 nan 8.240 nan 0.000 0.532 43 A N 4.716 127.592 122.820 0.094 0.000 2.319 43 A HA 0.667 4.989 4.320 0.002 0.000 0.310 43 A C -0.034 177.637 177.584 0.144 0.000 1.152 43 A CA -0.902 51.209 52.037 0.124 0.000 0.783 43 A CB 0.714 19.829 19.000 0.191 0.000 1.184 43 A HN 0.837 nan 8.150 nan 0.000 0.474 44 L N 1.838 123.081 121.223 0.034 0.000 2.439 44 L HA 0.672 5.014 4.340 0.002 0.000 0.261 44 L C 1.395 178.227 176.870 -0.064 0.000 1.153 44 L CA 0.543 55.373 54.840 -0.015 0.000 0.808 44 L CB 0.867 42.872 42.059 -0.089 0.000 1.126 44 L HN 1.132 nan 8.230 nan 0.000 0.460 45 G N 0.172 108.944 108.800 -0.047 0.000 2.699 45 G HA2 0.117 4.079 3.960 0.002 0.000 0.198 45 G HA3 0.117 4.079 3.960 0.002 0.000 0.198 45 G C 0.494 175.401 174.900 0.012 0.000 1.033 45 G CA -0.098 44.980 45.100 -0.036 0.000 0.728 45 G HN 1.432 nan 8.290 nan 0.000 0.484 46 G N -0.947 107.805 108.800 -0.081 0.000 2.741 46 G HA2 0.090 4.051 3.960 0.002 0.000 0.222 46 G HA3 0.090 4.051 3.960 0.002 0.000 0.222 46 G C 0.860 175.633 174.900 -0.211 0.000 1.364 46 G CA 0.767 45.784 45.100 -0.137 0.000 0.866 46 G HN 1.333 nan 8.290 nan 0.000 0.555 47 T N -0.735 113.711 114.554 -0.180 0.000 2.751 47 T HA -0.286 4.066 4.350 0.002 0.000 0.268 47 T C 2.372 177.010 174.700 -0.103 0.000 1.045 47 T CA 2.639 64.650 62.100 -0.149 0.000 1.142 47 T CB -0.517 68.298 68.868 -0.089 0.000 0.851 47 T HN 1.110 nan 8.240 nan 0.000 0.474 48 c N 0.349 118.910 118.600 -0.066 0.000 2.505 48 c HA 0.224 4.795 4.570 0.002 0.000 0.279 48 c C 2.445 176.509 174.090 -0.043 0.000 1.316 48 c CA 0.178 56.484 56.329 -0.038 0.000 1.720 48 c CB -1.171 41.338 42.510 -0.002 0.000 2.050 48 c HN 0.496 nan 8.230 nan 0.000 0.493 49 L N 1.668 122.867 121.223 -0.040 0.000 2.131 49 L HA 0.133 4.474 4.340 0.002 0.000 0.206 49 L C 1.790 178.625 176.870 -0.058 0.000 1.087 49 L CA 2.076 56.892 54.840 -0.041 0.000 0.767 49 L CB -1.299 40.738 42.059 -0.037 0.000 0.917 49 L HN 0.396 nan 8.230 nan 0.000 0.441 50 N N -2.072 116.569 118.700 -0.099 0.000 2.387 50 N HA 0.037 4.779 4.740 0.002 0.000 0.176 50 N C 0.874 176.340 175.510 -0.075 0.000 1.022 50 N CA 0.869 53.865 53.050 -0.090 0.000 0.883 50 N CB 0.793 39.152 38.487 -0.213 0.000 1.019 50 N HN 0.141 nan 8.380 nan 0.000 0.435 51 V N -0.799 119.050 119.914 -0.108 0.000 3.486 51 V HA 0.431 4.553 4.120 0.002 0.000 0.335 51 V C 0.179 176.233 176.094 -0.067 0.000 1.506 51 V CA 0.039 62.292 62.300 -0.077 0.000 1.206 51 V CB 0.684 32.449 31.823 -0.097 0.000 1.049 51 V HN 0.350 nan 8.190 nan 0.000 0.502 52 G N -1.281 107.479 108.800 -0.068 0.000 3.418 52 G HA2 0.173 4.135 3.960 0.002 0.000 0.179 52 G HA3 0.173 4.135 3.960 0.002 0.000 0.179 52 G C 1.177 176.040 174.900 -0.061 0.000 1.212 52 G CA 0.799 45.865 45.100 -0.056 0.000 0.935 52 G HN 0.108 nan 8.290 nan 0.000 0.716 53 c N 0.789 119.354 118.600 -0.058 0.000 2.294 53 c HA -0.190 4.381 4.570 0.002 0.000 0.265 53 c C 2.718 176.731 174.090 -0.128 0.000 1.115 53 c CA 0.998 57.274 56.329 -0.088 0.000 1.809 53 c CB -1.221 41.252 42.510 -0.062 0.000 2.010 53 c HN 0.420 nan 8.230 nan 0.000 0.425 54 I N 1.158 121.671 120.570 -0.094 0.000 2.286 54 I HA -0.030 4.142 4.170 0.002 0.000 0.245 54 I C -0.062 176.003 176.117 -0.087 0.000 1.104 54 I CA 1.161 62.405 61.300 -0.093 0.000 1.397 54 I CB -2.637 35.327 38.000 -0.060 0.000 1.072 54 I HN 0.188 nan 8.210 nan 0.000 0.417 55 P HA -0.148 nan 4.420 nan 0.000 0.214 55 P C 1.986 179.235 177.300 -0.084 0.000 1.169 55 P CA 2.391 65.451 63.100 -0.066 0.000 0.908 55 P CB -0.014 31.654 31.700 -0.053 0.000 0.791 56 S N -0.910 114.735 115.700 -0.092 0.000 2.383 56 S HA -0.135 4.337 4.470 0.002 0.000 0.227 56 S C 1.776 176.306 174.600 -0.117 0.000 1.026 56 S CA 1.279 59.421 58.200 -0.097 0.000 0.981 56 S CB -0.842 62.313 63.200 -0.075 0.000 0.818 56 S HN 0.069 nan 8.310 nan 0.000 0.472 57 K N 2.148 122.453 120.400 -0.158 0.000 2.097 57 K HA 0.252 4.573 4.320 0.002 0.000 0.205 57 K C 2.335 178.869 176.600 -0.110 0.000 1.050 57 K CA 1.074 57.255 56.287 -0.175 0.000 0.938 57 K CB -0.853 31.479 32.500 -0.279 0.000 0.718 57 K HN 0.412 nan 8.250 nan 0.000 0.442 58 A N 0.774 123.535 122.820 -0.098 0.000 1.877 58 A HA -0.145 4.176 4.320 0.002 0.000 0.216 58 A C 2.062 179.601 177.584 -0.074 0.000 1.186 58 A CA 1.384 53.379 52.037 -0.070 0.000 0.620 58 A CB -0.674 18.290 19.000 -0.061 0.000 0.822 58 A HN 0.183 nan 8.150 nan 0.000 0.443 59 L N -0.885 120.274 121.223 -0.106 0.000 2.156 59 L HA -0.095 4.246 4.340 0.002 0.000 0.208 59 L C 2.493 179.270 176.870 -0.155 0.000 1.095 59 L CA 0.834 55.579 54.840 -0.160 0.000 0.770 59 L CB -0.613 41.303 42.059 -0.238 0.000 0.914 59 L HN 0.370 nan 8.230 nan 0.000 0.439 60 L N -0.396 120.761 121.223 -0.109 0.000 2.191 60 L HA -0.214 4.127 4.340 0.002 0.000 0.212 60 L C 2.122 179.009 176.870 0.028 0.000 1.103 60 L CA 0.980 55.792 54.840 -0.047 0.000 0.769 60 L CB -0.353 41.694 42.059 -0.020 0.000 0.908 60 L HN 0.285 nan 8.230 nan 0.000 0.438 61 D N -0.993 119.417 120.400 0.017 0.000 2.149 61 D HA -0.076 4.565 4.640 0.002 0.000 0.206 61 D C 2.369 178.719 176.300 0.085 0.000 0.967 61 D CA 1.125 55.169 54.000 0.074 0.000 0.848 61 D CB 0.026 40.849 40.800 0.038 0.000 0.998 61 D HN 0.099 nan 8.370 nan 0.000 0.474 62 S N 0.726 116.441 115.700 0.024 0.000 2.383 62 S HA -0.156 4.315 4.470 0.002 0.000 0.229 62 S C 2.160 176.781 174.600 0.036 0.000 1.030 62 S CA 1.498 59.711 58.200 0.021 0.000 1.002 62 S CB -0.246 62.941 63.200 -0.023 0.000 0.829 62 S HN 0.351 nan 8.310 nan 0.000 0.467 63 S N 0.383 116.084 115.700 0.002 0.000 2.414 63 S HA -0.052 4.420 4.470 0.002 0.000 0.227 63 S C 1.707 176.392 174.600 0.141 0.000 1.022 63 S CA 0.568 58.774 58.200 0.010 0.000 0.958 63 S CB -0.699 62.424 63.200 -0.130 0.000 0.797 63 S HN 0.569 nan 8.310 nan 0.000 0.493 64 Y N 3.004 123.344 120.300 0.068 0.000 2.314 64 Y HA 0.073 4.625 4.550 0.003 0.000 0.293 64 Y C 2.070 178.015 175.900 0.076 0.000 1.129 64 Y CA 1.166 59.336 58.100 0.117 0.000 1.201 64 Y CB -0.136 38.373 38.460 0.082 0.000 0.999 64 Y HN 0.049 nan 8.280 nan 0.000 0.541 65 K N -0.184 120.170 120.400 -0.077 0.000 2.025 65 K HA -0.210 4.111 4.320 0.002 0.000 0.207 65 K C 2.053 178.530 176.600 -0.206 0.000 1.049 65 K CA 1.585 57.785 56.287 -0.146 0.000 0.933 65 K CB -1.415 31.080 32.500 -0.008 0.000 0.714 65 K HN 0.382 nan 8.250 nan 0.000 0.438 66 F N 2.287 122.134 119.950 -0.172 0.000 2.043 66 F HA -0.320 4.208 4.527 0.002 0.000 0.297 66 F C 2.662 178.382 175.800 -0.133 0.000 1.121 66 F CA 2.220 60.146 58.000 -0.124 0.000 1.199 66 F CB -0.596 38.371 39.000 -0.054 0.000 0.968 66 F HN 0.232 nan 8.300 nan 0.000 0.478 67 H N 0.222 119.204 119.070 -0.147 0.000 2.390 67 H HA -0.204 4.353 4.556 0.002 0.000 0.298 67 H C 2.161 177.247 175.328 -0.404 0.000 1.106 67 H CA 2.186 58.084 56.048 -0.250 0.000 1.297 67 H CB -0.574 29.067 29.762 -0.201 0.000 1.375 67 H HN 0.619 nan 8.280 nan 0.000 0.509 68 E N -0.464 119.325 120.200 -0.686 0.000 2.047 68 E HA -0.080 4.271 4.350 0.002 0.000 0.191 68 E C 2.301 178.435 176.600 -0.778 0.000 0.987 68 E CA 1.051 57.016 56.400 -0.726 0.000 0.799 68 E CB -0.303 28.965 29.700 -0.721 0.000 0.752 68 E HN 0.491 nan 8.360 nan 0.000 0.449 69 A N 0.607 122.812 122.820 -1.026 0.000 1.969 69 A HA -0.177 4.145 4.320 0.002 0.000 0.218 69 A C 2.124 179.311 177.584 -0.663 0.000 1.169 69 A CA 1.332 52.575 52.037 -1.323 0.000 0.635 69 A CB -0.763 17.629 19.000 -1.013 0.000 0.810 69 A HN 0.418 nan 8.150 nan 0.000 0.445 70 H N 0.377 119.086 119.070 -0.603 0.000 2.270 70 H HA -0.074 4.483 4.556 0.002 0.000 0.299 70 H C 0.485 175.661 175.328 -0.253 0.000 1.077 70 H CA 1.793 57.589 56.048 -0.420 0.000 1.294 70 H CB 0.211 29.700 29.762 -0.455 0.000 1.371 70 H HN 0.701 nan 8.280 nan 0.000 0.491 71 E N -0.360 119.785 120.200 -0.093 0.000 3.374 71 E HA 0.322 4.673 4.350 0.002 0.000 0.223 71 E C -0.514 176.037 176.600 -0.082 0.000 1.210 71 E CA -0.246 56.125 56.400 -0.049 0.000 0.987 71 E CB 1.219 30.924 29.700 0.007 0.000 1.322 71 E HN 0.049 nan 8.360 nan 0.000 0.404 72 S N 0.532 116.214 115.700 -0.031 0.000 2.138 72 S HA 0.045 4.517 4.470 0.002 0.000 0.214 72 S C 0.530 175.341 174.600 0.351 0.000 0.829 72 S CA -0.280 57.974 58.200 0.090 0.000 1.385 72 S CB -0.305 62.889 63.200 -0.009 0.000 0.905 72 S HN 0.311 nan 8.310 nan 0.000 0.374 73 F N 3.544 123.501 119.950 0.010 0.000 2.171 73 F HA 0.092 4.620 4.527 0.002 0.000 0.300 73 F C 2.407 178.259 175.800 0.088 0.000 1.090 73 F CA 1.092 59.107 58.000 0.025 0.000 1.293 73 F CB -0.425 38.530 39.000 -0.075 0.000 1.013 73 F HN 0.170 nan 8.300 nan 0.000 0.486 74 K N 1.250 121.783 120.400 0.221 0.000 2.059 74 K HA -0.216 4.105 4.320 0.002 0.000 0.212 74 K C 2.117 178.770 176.600 0.087 0.000 1.050 74 K CA 1.526 57.878 56.287 0.109 0.000 0.927 74 K CB -0.884 31.652 32.500 0.060 0.000 0.714 74 K HN 0.293 nan 8.250 nan 0.000 0.447 75 L N 0.277 121.551 121.223 0.085 0.000 2.263 75 L HA -0.186 4.156 4.340 0.002 0.000 0.216 75 L C 1.744 178.521 176.870 -0.155 0.000 1.111 75 L CA 1.155 55.962 54.840 -0.054 0.000 0.773 75 L CB -0.434 41.546 42.059 -0.132 0.000 0.906 75 L HN 0.298 nan 8.230 nan 0.000 0.439 76 H N -0.716 118.349 119.070 -0.008 0.000 2.505 76 H HA 0.202 4.759 4.556 0.002 0.000 0.289 76 H C 1.396 176.690 175.328 -0.056 0.000 1.052 76 H CA 0.562 56.584 56.048 -0.043 0.000 1.156 76 H CB 0.535 30.244 29.762 -0.088 0.000 1.507 76 H HN 0.373 nan 8.280 nan 0.000 0.548 77 G N 2.027 110.856 108.800 0.048 0.000 2.225 77 G HA2 -0.295 3.667 3.960 0.002 0.000 0.267 77 G HA3 -0.295 3.667 3.960 0.002 0.000 0.267 77 G C 0.105 175.003 174.900 -0.004 0.000 1.024 77 G CA 0.043 45.152 45.100 0.016 0.000 0.784 77 G HN 0.391 nan 8.290 nan 0.000 0.507 78 I N 1.459 122.027 120.570 -0.002 0.000 2.291 78 I HA 0.333 4.505 4.170 0.002 0.000 0.292 78 I C 0.876 177.002 176.117 0.014 0.000 1.064 78 I CA -0.094 61.175 61.300 -0.052 0.000 1.269 78 I CB 1.664 39.545 38.000 -0.197 0.000 1.418 78 I HN 0.145 nan 8.210 nan 0.000 0.485 79 S N 5.405 121.104 115.700 -0.001 0.000 2.642 79 S HA 0.212 4.683 4.470 0.002 0.000 0.309 79 S C 0.159 174.764 174.600 0.009 0.000 1.125 79 S CA -0.546 57.658 58.200 0.006 0.000 1.055 79 S CB 0.181 63.379 63.200 -0.003 0.000 1.157 79 S HN 0.711 nan 8.310 nan 0.000 0.513 80 T N 3.260 117.827 114.554 0.022 0.000 2.833 80 T HA 0.560 4.911 4.350 0.002 0.000 0.292 80 T C 1.477 176.167 174.700 -0.016 0.000 1.031 80 T CA 0.157 62.266 62.100 0.016 0.000 0.937 80 T CB 0.483 69.364 68.868 0.022 0.000 1.256 80 T HN 0.601 nan 8.240 nan 0.000 0.551 81 G N -0.314 108.469 108.800 -0.027 0.000 2.670 81 G HA2 0.350 4.312 3.960 0.002 0.000 0.215 81 G HA3 0.350 4.312 3.960 0.002 0.000 0.215 81 G C -0.261 174.596 174.900 -0.071 0.000 1.359 81 G CA 0.409 45.489 45.100 -0.035 0.000 0.897 81 G HN 0.641 nan 8.290 nan 0.000 0.552 82 E N -1.193 118.944 120.200 -0.105 0.000 3.397 82 E HA 0.096 4.448 4.350 0.002 0.000 0.380 82 E C -0.927 175.556 176.600 -0.194 0.000 0.989 82 E CA -0.542 55.733 56.400 -0.210 0.000 0.783 82 E CB 0.913 30.515 29.700 -0.163 0.000 1.334 82 E HN 0.158 nan 8.360 nan 0.000 0.457 83 V N 3.027 122.735 119.914 -0.344 0.000 2.707 83 V HA 0.131 4.252 4.120 0.002 0.000 0.291 83 V C 0.276 176.402 176.094 0.052 0.000 1.002 83 V CA 1.593 63.736 62.300 -0.261 0.000 1.200 83 V CB -0.392 31.075 31.823 -0.593 0.000 0.854 83 V HN 0.613 nan 8.190 nan 0.000 0.462 84 A N 6.966 129.897 122.820 0.185 0.000 2.311 84 A HA 0.898 5.219 4.320 0.002 0.000 0.334 84 A C -0.678 177.106 177.584 0.335 0.000 1.139 84 A CA -0.711 51.493 52.037 0.279 0.000 0.830 84 A CB 1.429 20.514 19.000 0.141 0.000 1.234 84 A HN 0.929 nan 8.150 nan 0.000 0.483 85 I N -0.048 120.645 120.570 0.204 0.000 2.686 85 I HA 0.514 4.685 4.170 0.002 0.000 0.295 85 I C -1.646 174.487 176.117 0.027 0.000 1.114 85 I CA -0.258 61.079 61.300 0.062 0.000 1.038 85 I CB 2.370 40.202 38.000 -0.280 0.000 1.238 85 I HN 0.627 nan 8.210 nan 0.000 0.420 86 D N 5.027 125.444 120.400 0.028 0.000 2.446 86 D HA 0.335 4.977 4.640 0.002 0.000 0.251 86 D C 0.703 177.022 176.300 0.031 0.000 1.137 86 D CA -0.307 53.712 54.000 0.031 0.000 0.890 86 D CB 1.388 42.210 40.800 0.037 0.000 1.071 86 D HN 0.300 nan 8.370 nan 0.000 0.528 87 V N 5.013 124.954 119.914 0.044 0.000 2.332 87 V HA -0.121 4.001 4.120 0.002 0.000 0.248 87 V C -0.846 175.301 176.094 0.088 0.000 1.055 87 V CA 1.465 63.819 62.300 0.090 0.000 1.038 87 V CB -1.130 30.793 31.823 0.167 0.000 0.651 87 V HN 0.578 nan 8.190 nan 0.000 0.450 88 P HA -0.157 nan 4.420 nan 0.000 0.217 88 P C 1.748 179.075 177.300 0.046 0.000 1.151 88 P CA 1.904 65.038 63.100 0.056 0.000 0.849 88 P CB -0.202 31.523 31.700 0.042 0.000 0.787 89 T N -1.331 113.246 114.554 0.038 0.000 2.857 89 T HA -0.074 4.278 4.350 0.002 0.000 0.266 89 T C 1.735 176.450 174.700 0.026 0.000 1.048 89 T CA 0.992 63.109 62.100 0.029 0.000 1.139 89 T CB -0.642 68.243 68.868 0.028 0.000 0.874 89 T HN 0.115 nan 8.240 nan 0.000 0.455 90 M N 1.408 121.024 119.600 0.026 0.000 2.175 90 M HA -0.018 4.463 4.480 0.002 0.000 0.264 90 M C 2.068 178.377 176.300 0.016 0.000 1.063 90 M CA 1.404 56.710 55.300 0.009 0.000 1.119 90 M CB -0.127 32.467 32.600 -0.011 0.000 1.377 90 M HN 0.248 nan 8.290 nan 0.000 0.415 91 I N -1.079 119.517 120.570 0.043 0.000 3.059 91 I HA 0.040 4.212 4.170 0.002 0.000 0.270 91 I C 1.874 178.008 176.117 0.028 0.000 1.238 91 I CA 1.327 62.652 61.300 0.043 0.000 1.478 91 I CB -1.430 36.617 38.000 0.080 0.000 1.097 91 I HN 0.201 nan 8.210 nan 0.000 0.455 92 A N 1.907 124.743 122.820 0.027 0.000 1.929 92 A HA -0.117 4.205 4.320 0.002 0.000 0.216 92 A C 2.579 180.171 177.584 0.013 0.000 1.176 92 A CA 1.101 53.150 52.037 0.021 0.000 0.628 92 A CB -0.615 18.398 19.000 0.021 0.000 0.816 92 A HN 0.465 nan 8.150 nan 0.000 0.444 93 R N -0.069 120.437 120.500 0.010 0.000 2.070 93 R HA -0.152 4.190 4.340 0.002 0.000 0.233 93 R C 2.350 178.649 176.300 -0.002 0.000 1.137 93 R CA 1.751 57.854 56.100 0.004 0.000 0.945 93 R CB -0.239 30.063 30.300 0.003 0.000 0.845 93 R HN 0.401 nan 8.270 nan 0.000 0.430 94 K N 0.715 121.112 120.400 -0.005 0.000 2.103 94 K HA -0.175 4.146 4.320 0.002 0.000 0.207 94 K C 1.141 177.738 176.600 -0.006 0.000 1.048 94 K CA 2.001 58.281 56.287 -0.013 0.000 0.930 94 K CB -0.238 32.250 32.500 -0.019 0.000 0.716 94 K HN 0.175 nan 8.250 nan 0.000 0.444 95 D N 0.747 121.149 120.400 0.004 0.000 2.218 95 D HA -0.133 4.508 4.640 0.002 0.000 0.204 95 D C 2.044 178.348 176.300 0.005 0.000 0.976 95 D CA 0.783 54.788 54.000 0.009 0.000 0.853 95 D CB 0.083 40.892 40.800 0.016 0.000 0.939 95 D HN 0.227 nan 8.370 nan 0.000 0.481 96 Q N 0.071 119.872 119.800 0.002 0.000 2.137 96 Q HA 0.041 4.383 4.340 0.002 0.000 0.198 96 Q C 2.536 178.532 176.000 -0.005 0.000 0.960 96 Q CA 0.256 56.059 55.803 -0.000 0.000 0.847 96 Q CB -0.115 28.623 28.738 0.000 0.000 0.915 96 Q HN 0.405 nan 8.270 nan 0.000 0.448 97 I N -0.111 120.454 120.570 -0.008 0.000 2.127 97 I HA -0.293 3.879 4.170 0.002 0.000 0.241 97 I C 2.249 178.357 176.117 -0.016 0.000 1.075 97 I CA 1.074 62.366 61.300 -0.014 0.000 1.334 97 I CB -0.402 37.587 38.000 -0.019 0.000 1.040 97 I HN -0.010 nan 8.210 nan 0.000 0.405 98 V N 0.523 120.429 119.914 -0.013 0.000 2.295 98 V HA -0.299 3.823 4.120 0.002 0.000 0.246 98 V C 2.608 178.698 176.094 -0.007 0.000 1.049 98 V CA 1.868 64.161 62.300 -0.011 0.000 1.024 98 V CB -0.691 31.132 31.823 -0.001 0.000 0.648 98 V HN 0.325 nan 8.190 nan 0.000 0.447 99 R N 0.466 120.965 120.500 -0.002 0.000 2.083 99 R HA -0.189 4.152 4.340 0.002 0.000 0.237 99 R C 2.160 178.453 176.300 -0.012 0.000 1.137 99 R CA 2.178 58.276 56.100 -0.003 0.000 0.951 99 R CB -0.872 29.428 30.300 -0.000 0.000 0.851 99 R HN 0.678 nan 8.270 nan 0.000 0.434 100 N N -0.410 118.282 118.700 -0.014 0.000 2.120 100 N HA -0.106 4.636 4.740 0.002 0.000 0.188 100 N C 1.456 176.949 175.510 -0.028 0.000 1.024 100 N CA 1.226 54.265 53.050 -0.019 0.000 0.852 100 N CB -0.068 38.410 38.487 -0.015 0.000 1.003 100 N HN 0.162 nan 8.380 nan 0.000 0.424 101 L N -0.581 120.623 121.223 -0.032 0.000 2.072 101 L HA -0.065 4.277 4.340 0.002 0.000 0.205 101 L C 2.318 179.145 176.870 -0.071 0.000 1.079 101 L CA 1.045 55.858 54.840 -0.046 0.000 0.752 101 L CB -0.640 41.395 42.059 -0.039 0.000 0.906 101 L HN 0.214 nan 8.230 nan 0.000 0.436 102 T N -0.571 113.947 114.554 -0.060 0.000 2.684 102 T HA -0.189 4.163 4.350 0.002 0.000 0.267 102 T C 1.777 176.434 174.700 -0.073 0.000 1.036 102 T CA 1.584 63.642 62.100 -0.069 0.000 1.148 102 T CB -0.538 68.317 68.868 -0.021 0.000 0.863 102 T HN 0.584 nan 8.240 nan 0.000 0.436 103 G N 0.552 109.323 108.800 -0.049 0.000 2.469 103 G HA2 -0.141 3.821 3.960 0.002 0.000 0.219 103 G HA3 -0.141 3.821 3.960 0.002 0.000 0.219 103 G C 1.698 176.564 174.900 -0.056 0.000 1.150 103 G CA 1.192 46.265 45.100 -0.044 0.000 0.763 103 G HN 0.589 nan 8.290 nan 0.000 0.561 104 G N 0.220 108.983 108.800 -0.061 0.000 2.446 104 G HA2 -0.175 3.787 3.960 0.002 0.000 0.217 104 G HA3 -0.175 3.787 3.960 0.002 0.000 0.217 104 G C 1.768 176.611 174.900 -0.096 0.000 1.168 104 G CA 1.171 46.232 45.100 -0.064 0.000 0.771 104 G HN 0.334 nan 8.290 nan 0.000 0.551 105 V N 1.314 121.130 119.914 -0.163 0.000 2.490 105 V HA -0.075 4.046 4.120 0.002 0.000 0.250 105 V C 3.245 179.232 176.094 -0.179 0.000 1.061 105 V CA 1.918 64.055 62.300 -0.271 0.000 1.064 105 V CB -0.459 31.043 31.823 -0.534 0.000 0.670 105 V HN 0.490 nan 8.190 nan 0.000 0.461 106 A N -0.781 121.964 122.820 -0.125 0.000 1.929 106 A HA -0.143 4.179 4.320 0.002 0.000 0.216 106 A C 2.441 179.992 177.584 -0.056 0.000 1.176 106 A CA 1.963 53.952 52.037 -0.080 0.000 0.628 106 A CB -0.437 18.527 19.000 -0.060 0.000 0.816 106 A HN 0.522 nan 8.150 nan 0.000 0.444 107 S N -0.250 115.419 115.700 -0.052 0.000 2.414 107 S HA -0.020 4.451 4.470 0.002 0.000 0.227 107 S C 1.696 176.280 174.600 -0.027 0.000 1.022 107 S CA 0.779 58.959 58.200 -0.034 0.000 0.958 107 S CB -0.233 62.949 63.200 -0.030 0.000 0.797 107 S HN 0.338 nan 8.310 nan 0.000 0.493 108 L N 2.019 123.222 121.223 -0.033 0.000 2.046 108 L HA -0.040 4.302 4.340 0.002 0.000 0.208 108 L C 2.114 178.985 176.870 0.002 0.000 1.077 108 L CA 1.500 56.333 54.840 -0.011 0.000 0.747 108 L CB -1.190 40.865 42.059 -0.007 0.000 0.896 108 L HN 0.451 nan 8.230 nan 0.000 0.432 109 I N -3.670 116.897 120.570 -0.007 0.000 2.406 109 I HA -0.132 4.040 4.170 0.002 0.000 0.249 109 I C 2.429 178.551 176.117 0.008 0.000 1.122 109 I CA 1.241 62.550 61.300 0.015 0.000 1.431 109 I CB -0.742 37.268 38.000 0.016 0.000 1.087 109 I HN 0.034 nan 8.210 nan 0.000 0.424 110 K N 1.782 122.177 120.400 -0.007 0.000 2.009 110 K HA -0.162 4.159 4.320 0.002 0.000 0.210 110 K C 2.256 178.856 176.600 -0.000 0.000 1.049 110 K CA 1.881 58.163 56.287 -0.009 0.000 0.929 110 K CB -0.367 32.122 32.500 -0.018 0.000 0.714 110 K HN 0.488 nan 8.250 nan 0.000 0.440 111 A N 1.875 124.695 122.820 -0.000 0.000 1.877 111 A HA -0.160 4.162 4.320 0.002 0.000 0.216 111 A C 1.768 179.359 177.584 0.012 0.000 1.186 111 A CA 1.651 53.690 52.037 0.004 0.000 0.620 111 A CB -0.592 18.410 19.000 0.003 0.000 0.822 111 A HN 0.424 nan 8.150 nan 0.000 0.443 112 N N -0.365 118.346 118.700 0.018 0.000 2.573 112 N HA -0.013 4.729 4.740 0.002 0.000 0.187 112 N C 0.957 176.484 175.510 0.029 0.000 1.107 112 N CA 1.070 54.135 53.050 0.025 0.000 0.918 112 N CB -0.103 38.404 38.487 0.033 0.000 0.966 112 N HN 0.707 nan 8.380 nan 0.000 0.448 113 G N 0.674 109.490 108.800 0.027 0.000 2.248 113 G HA2 -0.236 3.726 3.960 0.002 0.000 0.263 113 G HA3 -0.236 3.726 3.960 0.002 0.000 0.263 113 G C -0.165 174.766 174.900 0.051 0.000 1.082 113 G CA -0.098 45.022 45.100 0.032 0.000 0.863 113 G HN 0.137 nan 8.290 nan 0.000 0.495 114 V N 0.483 120.425 119.914 0.047 0.000 2.567 114 V HA 0.559 4.680 4.120 0.002 0.000 0.289 114 V C 1.041 177.164 176.094 0.048 0.000 1.049 114 V CA 0.007 62.345 62.300 0.064 0.000 0.969 114 V CB 1.697 33.551 31.823 0.051 0.000 0.995 114 V HN 0.387 nan 8.190 nan 0.000 0.471 115 T N 6.380 120.987 114.554 0.090 0.000 2.749 115 T HA 0.361 4.713 4.350 0.002 0.000 0.295 115 T C -0.277 174.344 174.700 -0.132 0.000 0.936 115 T CA -0.080 62.011 62.100 -0.014 0.000 1.060 115 T CB 0.473 69.433 68.868 0.153 0.000 0.904 115 T HN 0.411 nan 8.240 nan 0.000 0.500 116 L N 4.404 125.485 121.223 -0.236 0.000 2.325 116 L HA 0.614 4.955 4.340 0.002 0.000 0.279 116 L C -1.416 175.220 176.870 -0.390 0.000 1.054 116 L CA -0.708 54.033 54.840 -0.164 0.000 0.804 116 L CB 0.774 42.779 42.059 -0.091 0.000 1.200 116 L HN 0.589 nan 8.230 nan 0.000 0.436 117 F N 2.152 122.083 119.950 -0.032 0.000 2.499 117 F HA 0.321 4.849 4.527 0.002 0.000 0.333 117 F C 0.058 175.850 175.800 -0.012 0.000 1.138 117 F CA -0.686 57.302 58.000 -0.021 0.000 0.945 117 F CB 1.558 40.533 39.000 -0.041 0.000 1.181 117 F HN 0.411 nan 8.300 nan 0.000 0.435 118 E N 2.688 122.953 120.200 0.109 0.000 1.996 118 E HA 0.566 4.917 4.350 0.002 0.000 0.280 118 E C 0.385 177.044 176.600 0.099 0.000 1.092 118 E CA -0.356 56.090 56.400 0.077 0.000 0.862 118 E CB 0.776 30.495 29.700 0.032 0.000 1.066 118 E HN 0.854 nan 8.360 nan 0.000 0.396 119 G N 1.866 110.727 108.800 0.102 0.000 2.321 119 G HA2 0.001 3.963 3.960 0.002 0.000 0.296 119 G HA3 0.001 3.963 3.960 0.002 0.000 0.296 119 G C -1.743 173.229 174.900 0.120 0.000 1.287 119 G CA -0.879 44.286 45.100 0.107 0.000 0.846 119 G HN 0.482 nan 8.290 nan 0.000 0.508 120 H N -0.163 118.924 119.070 0.028 0.000 2.487 120 H HA 0.628 5.186 4.556 0.002 0.000 0.333 120 H C 0.014 175.345 175.328 0.005 0.000 1.114 120 H CA 0.390 56.449 56.048 0.019 0.000 1.310 120 H CB 1.426 31.195 29.762 0.013 0.000 1.462 120 H HN 0.789 nan 8.280 nan 0.000 0.516 121 G N 4.098 112.738 108.800 -0.267 0.000 2.417 121 G HA2 0.324 4.286 3.960 0.002 0.000 0.320 121 G HA3 0.324 4.286 3.960 0.002 0.000 0.320 121 G C -1.017 173.792 174.900 -0.153 0.000 1.204 121 G CA -0.689 44.321 45.100 -0.150 0.000 0.923 121 G HN 0.593 nan 8.290 nan 0.000 0.466 122 K N 2.769 123.151 120.400 -0.030 0.000 2.323 122 K HA 0.437 4.759 4.320 0.002 0.000 0.259 122 K C -0.965 175.625 176.600 -0.018 0.000 0.947 122 K CA -0.888 55.399 56.287 0.000 0.000 0.819 122 K CB 1.875 34.417 32.500 0.071 0.000 1.109 122 K HN 0.350 nan 8.250 nan 0.000 0.429 123 L N 5.899 127.110 121.223 -0.021 0.000 2.360 123 L HA 0.292 4.634 4.340 0.002 0.000 0.276 123 L C -1.009 175.857 176.870 -0.008 0.000 1.121 123 L CA 0.165 54.993 54.840 -0.019 0.000 0.845 123 L CB 0.390 42.438 42.059 -0.018 0.000 1.143 123 L HN 0.571 nan 8.230 nan 0.000 0.452 124 L N 4.463 125.681 121.223 -0.009 0.000 2.358 124 L HA 0.694 5.036 4.340 0.002 0.000 0.268 124 L C 0.551 177.418 176.870 -0.005 0.000 1.032 124 L CA -1.041 53.796 54.840 -0.004 0.000 0.805 124 L CB 1.001 43.057 42.059 -0.005 0.000 1.253 124 L HN 0.735 nan 8.230 nan 0.000 0.452 125 A N 0.476 123.294 122.820 -0.003 0.000 2.498 125 A HA 0.449 4.771 4.320 0.002 0.000 0.239 125 A C 0.942 178.524 177.584 -0.003 0.000 1.068 125 A CA 0.517 52.553 52.037 -0.003 0.000 0.766 125 A CB -0.357 18.642 19.000 -0.002 0.000 1.003 125 A HN 1.140 nan 8.150 nan 0.000 0.497 126 G N 1.466 110.263 108.800 -0.005 0.000 2.341 126 G HA2 -0.187 3.774 3.960 0.002 0.000 0.278 126 G HA3 -0.187 3.774 3.960 0.002 0.000 0.278 126 G C 0.430 175.330 174.900 -0.002 0.000 1.111 126 G CA 0.588 45.686 45.100 -0.003 0.000 0.982 126 G HN 1.414 nan 8.290 nan 0.000 0.502 127 K N -2.020 118.378 120.400 -0.004 0.000 3.456 127 K HA -0.268 4.054 4.320 0.002 0.000 0.313 127 K C 1.195 177.795 176.600 -0.000 0.000 1.252 127 K CA 2.178 58.465 56.287 -0.001 0.000 0.991 127 K CB -0.404 32.101 32.500 0.007 0.000 1.259 127 K HN 0.689 nan 8.250 nan 0.000 0.420 128 K N 1.217 121.615 120.400 -0.003 0.000 2.249 128 K HA 0.293 4.615 4.320 0.002 0.000 0.280 128 K C -0.233 176.353 176.600 -0.024 0.000 1.033 128 K CA -0.325 55.958 56.287 -0.007 0.000 0.946 128 K CB 1.527 34.025 32.500 -0.004 0.000 1.005 128 K HN -0.148 nan 8.250 nan 0.000 0.469 129 V N 2.440 122.327 119.914 -0.045 0.000 2.513 129 V HA 0.227 4.349 4.120 0.002 0.000 0.299 129 V C -0.110 175.938 176.094 -0.078 0.000 1.035 129 V CA -0.828 61.432 62.300 -0.068 0.000 0.889 129 V CB 1.539 33.300 31.823 -0.104 0.000 0.988 129 V HN 0.773 nan 8.190 nan 0.000 0.440 130 E N 3.030 123.199 120.200 -0.053 0.000 2.204 130 E HA 0.655 5.006 4.350 0.002 0.000 0.276 130 E C -1.712 174.864 176.600 -0.040 0.000 0.974 130 E CA -0.509 55.867 56.400 -0.040 0.000 0.815 130 E CB 2.029 31.725 29.700 -0.006 0.000 1.119 130 E HN 0.474 nan 8.360 nan 0.000 0.393 131 V N 3.530 123.419 119.914 -0.042 0.000 2.487 131 V HA 0.286 4.407 4.120 0.002 0.000 0.298 131 V C -0.463 175.655 176.094 0.039 0.000 1.028 131 V CA -0.804 61.492 62.300 -0.007 0.000 0.860 131 V CB 1.872 33.667 31.823 -0.047 0.000 0.991 131 V HN 0.763 nan 8.190 nan 0.000 0.427 132 T N 4.362 118.960 114.554 0.074 0.000 2.743 132 T HA 0.668 5.020 4.350 0.002 0.000 0.292 132 T C 0.422 175.165 174.700 0.072 0.000 0.972 132 T CA -0.136 62.002 62.100 0.065 0.000 0.967 132 T CB 1.461 70.362 68.868 0.055 0.000 0.926 132 T HN 0.915 nan 8.240 nan 0.000 0.459 133 A N 2.661 125.519 122.820 0.063 0.000 2.280 133 A HA 0.715 5.037 4.320 0.002 0.000 0.268 133 A C 1.927 179.535 177.584 0.040 0.000 1.111 133 A CA -0.073 52.000 52.037 0.060 0.000 0.814 133 A CB -0.442 18.592 19.000 0.057 0.000 1.093 133 A HN 1.011 nan 8.150 nan 0.000 0.498 134 A N 0.104 122.943 122.820 0.032 0.000 1.985 134 A HA -0.225 4.097 4.320 0.002 0.000 0.223 134 A C 1.141 178.731 177.584 0.010 0.000 1.189 134 A CA 2.275 54.322 52.037 0.017 0.000 0.658 134 A CB -0.658 18.349 19.000 0.011 0.000 0.820 134 A HN 0.831 nan 8.150 nan 0.000 0.464 135 D N -3.286 117.122 120.400 0.013 0.000 2.462 135 D HA 0.358 4.999 4.640 0.002 0.000 0.221 135 D C 0.972 177.276 176.300 0.007 0.000 1.173 135 D CA 0.707 54.711 54.000 0.007 0.000 0.831 135 D CB -0.035 40.769 40.800 0.007 0.000 1.001 135 D HN 0.835 nan 8.370 nan 0.000 0.499 136 G N 0.863 109.669 108.800 0.010 0.000 2.159 136 G HA2 -0.251 3.710 3.960 0.002 0.000 0.227 136 G HA3 -0.251 3.710 3.960 0.002 0.000 0.227 136 G C 0.168 175.077 174.900 0.015 0.000 0.986 136 G CA -0.126 44.979 45.100 0.008 0.000 0.651 136 G HN 0.289 nan 8.290 nan 0.000 0.523 137 S N 1.298 117.011 115.700 0.022 0.000 2.481 137 S HA 0.597 5.068 4.470 0.002 0.000 0.276 137 S C 0.610 175.229 174.600 0.031 0.000 1.247 137 S CA 0.230 58.446 58.200 0.027 0.000 1.053 137 S CB 1.446 64.668 63.200 0.036 0.000 0.925 137 S HN 0.608 nan 8.310 nan 0.000 0.491 138 S N 3.169 118.884 115.700 0.026 0.000 2.654 138 S HA 0.549 5.020 4.470 0.002 0.000 0.283 138 S C -0.309 174.306 174.600 0.025 0.000 1.180 138 S CA -0.935 57.279 58.200 0.024 0.000 1.021 138 S CB 1.063 64.273 63.200 0.016 0.000 1.018 138 S HN 0.744 nan 8.310 nan 0.000 0.532 139 Q N 0.802 120.610 119.800 0.014 0.000 2.295 139 Q HA 0.460 4.802 4.340 0.002 0.000 0.268 139 Q C -1.965 174.021 176.000 -0.024 0.000 1.010 139 Q CA -0.454 55.352 55.803 0.005 0.000 0.856 139 Q CB 2.144 30.887 28.738 0.009 0.000 1.349 139 Q HN 0.531 nan 8.270 nan 0.000 0.412 140 V N 3.812 123.715 119.914 -0.017 0.000 2.459 140 V HA 0.477 4.598 4.120 0.002 0.000 0.295 140 V C -0.712 175.364 176.094 -0.031 0.000 1.029 140 V CA -0.746 61.537 62.300 -0.029 0.000 0.874 140 V CB 1.373 33.190 31.823 -0.010 0.000 0.985 140 V HN 0.568 nan 8.190 nan 0.000 0.438 141 L N 3.768 124.955 121.223 -0.059 0.000 2.334 141 L HA 0.653 4.995 4.340 0.002 0.000 0.273 141 L C -0.271 176.618 176.870 0.031 0.000 1.013 141 L CA -0.457 54.376 54.840 -0.011 0.000 0.816 141 L CB 1.580 43.568 42.059 -0.118 0.000 1.278 141 L HN 0.570 nan 8.230 nan 0.000 0.431 142 D N 0.329 120.787 120.400 0.097 0.000 2.163 142 D HA 0.710 5.352 4.640 0.002 0.000 0.248 142 D C -0.125 176.265 176.300 0.150 0.000 1.035 142 D CA -0.012 54.038 54.000 0.084 0.000 0.872 142 D CB 2.054 42.884 40.800 0.050 0.000 1.183 142 D HN 0.482 nan 8.370 nan 0.000 0.445 143 T N -0.003 114.615 114.554 0.107 0.000 2.769 143 T HA 0.204 4.556 4.350 0.002 0.000 0.306 143 T C -0.271 174.476 174.700 0.080 0.000 1.400 143 T CA -0.437 61.740 62.100 0.129 0.000 1.007 143 T CB 1.506 70.449 68.868 0.125 0.000 1.392 143 T HN 0.114 nan 8.240 nan 0.000 0.500 144 E N 0.960 121.207 120.200 0.080 0.000 2.460 144 E HA 0.269 4.621 4.350 0.002 0.000 0.200 144 E C -0.354 176.289 176.600 0.071 0.000 1.011 144 E CA 0.338 56.775 56.400 0.061 0.000 0.912 144 E CB 0.405 30.138 29.700 0.054 0.000 0.953 144 E HN 0.542 nan 8.360 nan 0.000 0.494 145 N N -1.160 117.595 118.700 0.091 0.000 2.329 145 N HA 0.390 5.131 4.740 0.002 0.000 0.282 145 N C -1.531 174.043 175.510 0.106 0.000 1.198 145 N CA -0.522 52.602 53.050 0.124 0.000 0.790 145 N CB 2.792 41.388 38.487 0.182 0.000 1.579 145 N HN -0.298 nan 8.380 nan 0.000 0.475 146 V N 1.405 121.394 119.914 0.124 0.000 2.760 146 V HA 0.542 4.663 4.120 0.002 0.000 0.309 146 V C -0.879 175.307 176.094 0.153 0.000 1.077 146 V CA -0.626 61.726 62.300 0.087 0.000 0.910 146 V CB 1.774 33.617 31.823 0.034 0.000 1.008 146 V HN 0.546 nan 8.190 nan 0.000 0.424 147 I N 5.131 125.764 120.570 0.105 0.000 2.411 147 I HA 0.440 4.611 4.170 0.002 0.000 0.284 147 I C -0.782 175.368 176.117 0.055 0.000 1.012 147 I CA -0.415 60.953 61.300 0.113 0.000 1.119 147 I CB 1.615 39.654 38.000 0.065 0.000 1.261 147 I HN 0.344 nan 8.210 nan 0.000 0.448 148 L N 6.258 127.514 121.223 0.056 0.000 2.260 148 L HA 0.582 4.924 4.340 0.002 0.000 0.289 148 L C 0.606 177.492 176.870 0.026 0.000 1.057 148 L CA -0.190 54.663 54.840 0.022 0.000 0.811 148 L CB 1.215 43.284 42.059 0.017 0.000 1.184 148 L HN 0.739 nan 8.230 nan 0.000 0.429 149 A N 1.434 124.259 122.820 0.009 0.000 3.105 149 A HA 0.300 4.622 4.320 0.002 0.000 0.297 149 A C 1.114 178.696 177.584 -0.004 0.000 0.977 149 A CA -0.290 51.752 52.037 0.008 0.000 1.020 149 A CB 0.126 19.127 19.000 0.002 0.000 1.098 149 A HN 0.731 nan 8.150 nan 0.000 0.497 150 S N -0.553 115.140 115.700 -0.012 0.000 2.453 150 S HA 0.406 4.877 4.470 0.002 0.000 0.231 150 S C 1.284 175.872 174.600 -0.019 0.000 1.005 150 S CA 0.796 58.981 58.200 -0.024 0.000 0.949 150 S CB -0.246 62.930 63.200 -0.039 0.000 0.774 150 S HN 2.178 nan 8.310 nan 0.000 0.510 151 G N 0.171 108.962 108.800 -0.015 0.000 2.396 151 G HA2 0.190 4.151 3.960 0.002 0.000 0.254 151 G HA3 0.190 4.151 3.960 0.002 0.000 0.254 151 G C -0.638 174.243 174.900 -0.031 0.000 1.248 151 G CA -0.295 44.794 45.100 -0.018 0.000 1.033 151 G HN 0.905 nan 8.290 nan 0.000 0.502 152 S N -0.948 114.734 115.700 -0.031 0.000 2.627 152 S HA 0.863 5.334 4.470 0.002 0.000 0.283 152 S C -0.499 174.082 174.600 -0.033 0.000 1.127 152 S CA 0.465 58.643 58.200 -0.037 0.000 0.863 152 S CB 1.623 64.816 63.200 -0.012 0.000 1.121 152 S HN 1.371 nan 8.310 nan 0.000 0.479 153 K N 0.422 120.802 120.400 -0.034 0.000 2.499 153 K HA 0.719 5.041 4.320 0.002 0.000 0.277 153 K C -3.326 173.263 176.600 -0.019 0.000 1.025 153 K CA -2.183 54.090 56.287 -0.023 0.000 0.900 153 K CB 0.811 33.300 32.500 -0.018 0.000 1.494 153 K HN 0.284 nan 8.250 nan 0.000 0.442 154 P HA 0.118 nan 4.420 nan 0.000 0.276 154 P C -0.884 176.411 177.300 -0.008 0.000 1.244 154 P CA -0.691 62.404 63.100 -0.008 0.000 0.801 154 P CB 0.749 32.446 31.700 -0.005 0.000 1.006 155 V N 2.654 122.566 119.914 -0.004 0.000 2.408 155 V HA 0.092 4.214 4.120 0.002 0.000 0.267 155 V C 0.702 176.796 176.094 0.001 0.000 1.047 155 V CA -0.148 62.150 62.300 -0.003 0.000 0.937 155 V CB -0.017 31.808 31.823 0.003 0.000 0.999 155 V HN 0.572 nan 8.190 nan 0.000 0.472 156 E N 6.363 126.563 120.200 0.001 0.000 2.301 156 E HA 0.632 4.984 4.350 0.002 0.000 0.275 156 E C -0.653 175.952 176.600 0.008 0.000 1.030 156 E CA -0.617 55.786 56.400 0.005 0.000 0.852 156 E CB 1.893 31.595 29.700 0.004 0.000 1.060 156 E HN 0.675 nan 8.360 nan 0.000 0.401 157 I N -1.355 119.222 120.570 0.012 0.000 2.509 157 I HA 0.359 4.531 4.170 0.002 0.000 0.293 157 I C -2.352 173.776 176.117 0.019 0.000 1.020 157 I CA -3.045 58.264 61.300 0.016 0.000 1.088 157 I CB 2.006 40.018 38.000 0.020 0.000 1.267 157 I HN 0.185 nan 8.210 nan 0.000 0.430 158 P HA 0.025 nan 4.420 nan 0.000 0.217 158 P C -1.374 175.942 177.300 0.026 0.000 1.150 158 P CA 1.397 64.510 63.100 0.021 0.000 0.832 158 P CB -1.019 30.692 31.700 0.019 0.000 0.787 159 P HA -0.035 nan 4.420 nan 0.000 0.221 159 P C 0.084 177.409 177.300 0.042 0.000 1.145 159 P CA 1.524 64.649 63.100 0.042 0.000 0.795 159 P CB -0.141 31.591 31.700 0.053 0.000 0.775 160 A N -1.384 121.458 122.820 0.036 0.000 3.277 160 A HA 0.449 4.770 4.320 0.002 0.000 0.281 160 A C -2.955 174.646 177.584 0.030 0.000 1.179 160 A CA -0.846 51.213 52.037 0.037 0.000 0.879 160 A CB 0.240 19.265 19.000 0.043 0.000 1.374 160 A HN -0.070 nan 8.150 nan 0.000 0.590 161 P HA 0.377 nan 4.420 nan 0.000 0.284 161 P C 0.207 177.520 177.300 0.023 0.000 1.253 161 P CA -0.237 62.876 63.100 0.022 0.000 0.800 161 P CB 1.424 33.135 31.700 0.018 0.000 0.961 162 V N 3.419 123.346 119.914 0.021 0.000 2.872 162 V HA 0.026 4.148 4.120 0.002 0.000 0.307 162 V C 1.192 177.299 176.094 0.023 0.000 1.072 162 V CA 1.083 63.398 62.300 0.024 0.000 1.148 162 V CB 0.257 32.093 31.823 0.020 0.000 0.954 162 V HN 0.810 nan 8.190 nan 0.000 0.490 163 D N 2.450 122.866 120.400 0.027 0.000 2.530 163 D HA 0.026 4.668 4.640 0.002 0.000 0.253 163 D C 0.789 177.107 176.300 0.030 0.000 1.338 163 D CA 0.332 54.347 54.000 0.024 0.000 0.806 163 D CB 0.253 41.066 40.800 0.021 0.000 1.160 163 D HN 0.639 nan 8.370 nan 0.000 0.514 164 Q N 0.631 120.455 119.800 0.040 0.000 2.401 164 Q HA -0.309 4.033 4.340 0.002 0.000 0.244 164 Q C -0.281 175.761 176.000 0.070 0.000 0.941 164 Q CA 2.332 58.167 55.803 0.053 0.000 1.179 164 Q CB -2.506 26.255 28.738 0.038 0.000 1.665 164 Q HN 0.442 nan 8.270 nan 0.000 0.547 165 D N -1.429 119.006 120.400 0.057 0.000 3.137 165 D HA 0.191 4.833 4.640 0.002 0.000 0.236 165 D C 1.144 177.465 176.300 0.034 0.000 1.557 165 D CA 0.833 54.859 54.000 0.044 0.000 1.305 165 D CB -0.218 40.592 40.800 0.017 0.000 1.065 165 D HN 0.039 nan 8.370 nan 0.000 0.290 166 V N 0.630 120.554 119.914 0.017 0.000 2.426 166 V HA 0.259 4.381 4.120 0.002 0.000 0.242 166 V C 0.959 177.071 176.094 0.030 0.000 1.036 166 V CA 0.606 62.907 62.300 0.001 0.000 1.044 166 V CB 0.124 31.947 31.823 0.000 0.000 0.688 166 V HN 0.250 nan 8.190 nan 0.000 0.462 167 I N 1.472 122.068 120.570 0.043 0.000 2.377 167 I HA 0.459 4.631 4.170 0.002 0.000 0.293 167 I C -0.683 175.471 176.117 0.061 0.000 0.987 167 I CA -0.318 61.011 61.300 0.050 0.000 1.185 167 I CB 1.606 39.630 38.000 0.039 0.000 1.341 167 I HN 0.077 nan 8.210 nan 0.000 0.455 168 V N 2.564 122.521 119.914 0.073 0.000 3.159 168 V HA 0.657 4.779 4.120 0.002 0.000 0.308 168 V C -1.181 174.930 176.094 0.028 0.000 1.190 168 V CA -0.826 61.512 62.300 0.063 0.000 1.037 168 V CB 2.158 34.050 31.823 0.114 0.000 1.060 168 V HN 0.737 nan 8.190 nan 0.000 0.437 169 D N 0.951 121.353 120.400 0.004 0.000 2.549 169 D HA 0.426 5.067 4.640 0.002 0.000 0.270 169 D C 1.307 177.584 176.300 -0.039 0.000 1.181 169 D CA 0.097 54.091 54.000 -0.010 0.000 1.070 169 D CB 0.959 41.756 40.800 -0.005 0.000 1.154 169 D HN 0.765 nan 8.370 nan 0.000 0.602 170 S N -1.412 114.267 115.700 -0.034 0.000 2.419 170 S HA -0.187 4.284 4.470 0.002 0.000 0.233 170 S C 1.682 176.241 174.600 -0.068 0.000 1.016 170 S CA 1.374 59.545 58.200 -0.048 0.000 0.974 170 S CB -1.171 62.013 63.200 -0.027 0.000 0.786 170 S HN 0.586 nan 8.310 nan 0.000 0.492 171 T N 1.848 116.371 114.554 -0.052 0.000 2.788 171 T HA 0.042 4.393 4.350 0.002 0.000 0.268 171 T C 2.004 176.657 174.700 -0.079 0.000 1.044 171 T CA 1.390 63.462 62.100 -0.046 0.000 1.139 171 T CB -0.870 67.991 68.868 -0.012 0.000 0.867 171 T HN 0.643 nan 8.240 nan 0.000 0.454 172 G N 0.872 109.608 108.800 -0.107 0.000 2.408 172 G HA2 0.130 4.091 3.960 0.002 0.000 0.215 172 G HA3 0.130 4.091 3.960 0.002 0.000 0.215 172 G C 1.800 176.402 174.900 -0.496 0.000 1.156 172 G CA 0.593 45.599 45.100 -0.155 0.000 0.793 172 G HN 0.552 nan 8.290 nan 0.000 0.535 173 A N 0.362 122.818 122.820 -0.607 0.000 2.070 173 A HA 0.158 4.479 4.320 0.002 0.000 0.220 173 A C 2.191 179.477 177.584 -0.496 0.000 1.159 173 A CA 0.768 52.186 52.037 -1.032 0.000 0.656 173 A CB -0.269 18.512 19.000 -0.365 0.000 0.800 173 A HN 0.365 nan 8.150 nan 0.000 0.453 174 L N -1.235 119.846 121.223 -0.236 0.000 2.558 174 L HA 0.063 4.404 4.340 0.002 0.000 0.225 174 L C 0.621 177.485 176.870 -0.010 0.000 1.128 174 L CA 0.474 55.276 54.840 -0.064 0.000 0.868 174 L CB 0.183 42.208 42.059 -0.058 0.000 1.006 174 L HN 0.222 nan 8.230 nan 0.000 0.454 175 D N -1.286 119.071 120.400 -0.072 0.000 2.620 175 D HA 0.127 4.768 4.640 0.002 0.000 0.260 175 D C -0.109 176.256 176.300 0.109 0.000 1.367 175 D CA -0.173 53.844 54.000 0.029 0.000 0.805 175 D CB 0.585 41.394 40.800 0.015 0.000 1.096 175 D HN -0.112 nan 8.370 nan 0.000 0.488 176 F N 1.480 121.476 119.950 0.077 0.000 2.518 176 F HA 0.117 4.646 4.527 0.002 0.000 0.359 176 F C 1.963 177.759 175.800 -0.006 0.000 1.118 176 F CA -0.035 57.911 58.000 -0.090 0.000 1.287 176 F CB 0.735 39.455 39.000 -0.467 0.000 1.132 176 F HN -0.157 nan 8.300 nan 0.000 0.587 177 Q N 1.438 121.325 119.800 0.145 0.000 2.319 177 Q HA 0.134 4.475 4.340 0.002 0.000 0.202 177 Q C -0.674 175.355 176.000 0.048 0.000 0.896 177 Q CA 0.158 56.017 55.803 0.094 0.000 0.942 177 Q CB -0.148 28.622 28.738 0.054 0.000 1.083 177 Q HN 0.783 nan 8.270 nan 0.000 0.510 178 N N -2.082 116.601 118.700 -0.028 0.000 2.825 178 N HA 0.376 5.118 4.740 0.002 0.000 0.253 178 N C -1.275 174.118 175.510 -0.195 0.000 1.426 178 N CA -0.783 52.222 53.050 -0.075 0.000 0.851 178 N CB 1.244 39.666 38.487 -0.107 0.000 1.470 178 N HN -0.303 nan 8.380 nan 0.000 0.517 179 V N 1.482 121.320 119.914 -0.126 0.000 2.364 179 V HA 0.440 4.562 4.120 0.002 0.000 0.272 179 V C -1.827 174.126 176.094 -0.236 0.000 1.036 179 V CA -1.166 61.049 62.300 -0.142 0.000 0.880 179 V CB 0.523 32.368 31.823 0.037 0.000 0.991 179 V HN 0.698 nan 8.190 nan 0.000 0.460 180 P HA 0.104 nan 4.420 nan 0.000 0.268 180 P C 0.968 178.184 177.300 -0.141 0.000 1.204 180 P CA 0.064 62.977 63.100 -0.312 0.000 0.768 180 P CB 1.192 32.618 31.700 -0.457 0.000 0.842 181 G N 2.804 111.549 108.800 -0.091 0.000 2.534 181 G HA2 -0.060 3.901 3.960 0.002 0.000 0.217 181 G HA3 -0.060 3.901 3.960 0.002 0.000 0.217 181 G C 0.387 175.290 174.900 0.004 0.000 1.128 181 G CA 0.218 45.299 45.100 -0.033 0.000 0.784 181 G HN 0.493 nan 8.290 nan 0.000 0.542 182 K N -0.606 119.804 120.400 0.017 0.000 2.553 182 K HA 0.530 4.852 4.320 0.002 0.000 0.250 182 K C -2.095 174.581 176.600 0.127 0.000 0.953 182 K CA -0.739 55.618 56.287 0.116 0.000 0.800 182 K CB 2.688 35.276 32.500 0.147 0.000 1.243 182 K HN 0.026 nan 8.250 nan 0.000 0.435 183 L N 0.879 122.151 121.223 0.082 0.000 2.422 183 L HA 0.719 5.061 4.340 0.002 0.000 0.264 183 L C -0.839 175.759 176.870 -0.452 0.000 0.984 183 L CA -0.038 54.730 54.840 -0.119 0.000 0.819 183 L CB 2.304 44.324 42.059 -0.065 0.000 1.330 183 L HN 0.721 nan 8.230 nan 0.000 0.410 184 G N 2.797 111.071 108.800 -0.877 0.000 2.448 184 G HA2 0.658 4.619 3.960 0.002 0.000 0.324 184 G HA3 0.658 4.619 3.960 0.002 0.000 0.324 184 G C -1.825 172.775 174.900 -0.501 0.000 1.203 184 G CA -0.538 43.815 45.100 -1.245 0.000 0.954 184 G HN 0.522 nan 8.290 nan 0.000 0.480 185 V N 2.443 122.158 119.914 -0.332 0.000 2.569 185 V HA 0.377 4.498 4.120 0.002 0.000 0.301 185 V C -0.468 175.547 176.094 -0.131 0.000 1.044 185 V CA -0.527 61.683 62.300 -0.149 0.000 0.874 185 V CB 1.582 33.366 31.823 -0.064 0.000 1.002 185 V HN 0.681 nan 8.190 nan 0.000 0.424 186 I N 4.133 124.650 120.570 -0.088 0.000 2.312 186 I HA 0.810 4.982 4.170 0.002 0.000 0.290 186 I C 0.656 176.758 176.117 -0.025 0.000 1.008 186 I CA -0.170 61.093 61.300 -0.062 0.000 1.226 186 I CB 1.458 39.430 38.000 -0.046 0.000 1.371 186 I HN 0.875 nan 8.210 nan 0.000 0.468 187 G N 4.374 113.166 108.800 -0.013 0.000 3.326 187 G HA2 0.210 4.171 3.960 0.002 0.000 0.681 187 G HA3 0.210 4.171 3.960 0.002 0.000 0.681 187 G C -0.529 174.387 174.900 0.026 0.000 1.255 187 G CA -0.398 44.707 45.100 0.009 0.000 0.976 187 G HN 0.898 nan 8.290 nan 0.000 0.563 188 A N 1.420 124.272 122.820 0.053 0.000 3.159 188 A HA 0.800 5.121 4.320 0.002 0.000 0.301 188 A C 1.155 178.764 177.584 0.042 0.000 1.271 188 A CA 0.958 53.058 52.037 0.106 0.000 0.998 188 A CB -0.128 19.002 19.000 0.217 0.000 1.101 188 A HN 2.034 nan 8.150 nan 0.000 0.610 189 G N -1.380 107.424 108.800 0.007 0.000 2.705 189 G HA2 0.445 4.407 3.960 0.002 0.000 0.299 189 G HA3 0.445 4.407 3.960 0.002 0.000 0.299 189 G C 1.012 175.905 174.900 -0.011 0.000 1.315 189 G CA 0.090 45.169 45.100 -0.036 0.000 1.045 189 G HN 0.247 nan 8.290 nan 0.000 0.517 190 V N 0.809 120.710 119.914 -0.021 0.000 2.248 190 V HA -0.317 3.805 4.120 0.002 0.000 0.254 190 V C 2.837 178.949 176.094 0.031 0.000 1.050 190 V CA 2.255 64.560 62.300 0.009 0.000 1.063 190 V CB -0.998 30.835 31.823 0.018 0.000 0.688 190 V HN 0.619 nan 8.190 nan 0.000 0.474 191 I N 1.340 121.926 120.570 0.027 0.000 2.113 191 I HA -0.263 3.908 4.170 0.002 0.000 0.242 191 I C 2.719 178.855 176.117 0.031 0.000 1.064 191 I CA 2.402 63.717 61.300 0.025 0.000 1.320 191 I CB -2.443 35.566 38.000 0.014 0.000 1.028 191 I HN 0.482 nan 8.210 nan 0.000 0.406 192 G N 1.326 110.144 108.800 0.031 0.000 2.491 192 G HA2 -0.201 3.761 3.960 0.002 0.000 0.218 192 G HA3 -0.201 3.761 3.960 0.002 0.000 0.218 192 G C 1.786 176.722 174.900 0.060 0.000 1.180 192 G CA 0.959 46.083 45.100 0.039 0.000 0.774 192 G HN 0.430 nan 8.290 nan 0.000 0.562 193 L N -0.243 121.024 121.223 0.074 0.000 2.270 193 L HA 0.181 4.523 4.340 0.002 0.000 0.210 193 L C 2.663 179.590 176.870 0.095 0.000 1.104 193 L CA 0.471 55.371 54.840 0.100 0.000 0.804 193 L CB -0.278 41.858 42.059 0.128 0.000 0.937 193 L HN 0.207 nan 8.230 nan 0.000 0.450 194 E N 0.365 120.610 120.200 0.076 0.000 2.072 194 E HA -0.186 4.166 4.350 0.002 0.000 0.191 194 E C 2.077 178.698 176.600 0.036 0.000 0.985 194 E CA 0.933 57.373 56.400 0.067 0.000 0.801 194 E CB -0.003 29.734 29.700 0.063 0.000 0.750 194 E HN 0.222 nan 8.360 nan 0.000 0.452 195 L N 0.215 121.464 121.223 0.043 0.000 2.156 195 L HA -0.008 4.333 4.340 0.002 0.000 0.208 195 L C 2.257 179.209 176.870 0.138 0.000 1.095 195 L CA 1.514 56.390 54.840 0.059 0.000 0.770 195 L CB -0.985 41.123 42.059 0.080 0.000 0.914 195 L HN 0.124 nan 8.230 nan 0.000 0.439 196 G N -1.840 107.035 108.800 0.125 0.000 2.404 196 G HA2 -0.215 3.746 3.960 0.002 0.000 0.215 196 G HA3 -0.215 3.746 3.960 0.002 0.000 0.215 196 G C 1.712 176.674 174.900 0.103 0.000 1.174 196 G CA 0.867 46.049 45.100 0.137 0.000 0.780 196 G HN 0.396 nan 8.290 nan 0.000 0.537 197 S N 0.009 115.759 115.700 0.083 0.000 2.383 197 S HA -0.132 4.340 4.470 0.002 0.000 0.229 197 S C 2.487 177.049 174.600 -0.062 0.000 1.030 197 S CA 1.119 59.348 58.200 0.048 0.000 1.002 197 S CB -0.308 62.986 63.200 0.158 0.000 0.829 197 S HN 0.173 nan 8.310 nan 0.000 0.467 198 V N 0.174 120.013 119.914 -0.125 0.000 2.233 198 V HA -0.226 3.896 4.120 0.002 0.000 0.247 198 V C 1.880 177.720 176.094 -0.424 0.000 1.050 198 V CA 1.865 63.956 62.300 -0.349 0.000 1.010 198 V CB -0.649 30.842 31.823 -0.552 0.000 0.637 198 V HN 0.649 nan 8.190 nan 0.000 0.444 199 W N -0.762 120.533 121.300 -0.008 0.000 2.523 199 W HA 0.164 4.825 4.660 0.002 0.000 0.278 199 W C 2.504 178.996 176.519 -0.044 0.000 1.236 199 W CA 0.620 57.958 57.345 -0.011 0.000 1.306 199 W CB -0.428 29.067 29.460 0.058 0.000 1.101 199 W HN 0.182 nan 8.180 nan 0.000 0.577 200 A N 1.129 124.018 122.820 0.116 0.000 1.908 200 A HA -0.224 4.097 4.320 0.002 0.000 0.218 200 A C 1.948 179.498 177.584 -0.057 0.000 1.181 200 A CA 1.658 53.710 52.037 0.025 0.000 0.627 200 A CB -0.711 18.277 19.000 -0.020 0.000 0.818 200 A HN 0.289 nan 8.150 nan 0.000 0.445 201 R N -1.532 118.887 120.500 -0.135 0.000 2.148 201 R HA -0.028 4.313 4.340 0.002 0.000 0.227 201 R C 1.457 177.762 176.300 0.009 0.000 1.103 201 R CA 1.045 57.031 56.100 -0.189 0.000 0.983 201 R CB -0.279 29.892 30.300 -0.215 0.000 0.874 201 R HN 0.397 nan 8.270 nan 0.000 0.451 202 L N -1.363 119.808 121.223 -0.087 0.000 2.529 202 L HA 0.180 4.521 4.340 0.002 0.000 0.223 202 L C 1.318 178.135 176.870 -0.088 0.000 1.113 202 L CA 1.368 56.040 54.840 -0.279 0.000 0.861 202 L CB 0.711 42.635 42.059 -0.226 0.000 1.012 202 L HN 0.426 nan 8.230 nan 0.000 0.461 203 G N -2.143 106.666 108.800 0.015 0.000 2.485 203 G HA2 -0.089 3.872 3.960 0.002 0.000 0.181 203 G HA3 -0.089 3.872 3.960 0.002 0.000 0.181 203 G C 0.474 175.398 174.900 0.039 0.000 0.999 203 G CA -0.190 44.928 45.100 0.030 0.000 0.721 203 G HN 0.499 nan 8.290 nan 0.000 0.486 204 A N 0.998 123.861 122.820 0.072 0.000 2.488 204 A HA 0.555 4.876 4.320 0.002 0.000 0.249 204 A C 0.412 178.028 177.584 0.054 0.000 1.083 204 A CA 0.164 52.238 52.037 0.062 0.000 0.768 204 A CB 0.100 19.161 19.000 0.101 0.000 1.017 204 A HN 0.408 nan 8.150 nan 0.000 0.496 205 E N 1.516 121.746 120.200 0.050 0.000 2.166 205 E HA 0.325 4.676 4.350 0.002 0.000 0.279 205 E C -0.219 176.427 176.600 0.078 0.000 1.095 205 E CA -0.280 56.156 56.400 0.059 0.000 0.888 205 E CB 0.717 30.457 29.700 0.066 0.000 1.041 205 E HN 0.530 nan 8.360 nan 0.000 0.414 206 V N 0.682 120.632 119.914 0.060 0.000 2.628 206 V HA 0.634 4.756 4.120 0.002 0.000 0.306 206 V C -0.186 175.924 176.094 0.026 0.000 1.045 206 V CA -0.611 61.710 62.300 0.035 0.000 0.905 206 V CB 1.994 33.838 31.823 0.036 0.000 0.997 206 V HN 0.468 nan 8.190 nan 0.000 0.436 207 T N 3.533 118.067 114.554 -0.034 0.000 2.861 207 T HA 0.665 5.017 4.350 0.002 0.000 0.287 207 T C -0.627 173.995 174.700 -0.129 0.000 1.003 207 T CA -0.444 61.640 62.100 -0.026 0.000 0.977 207 T CB 1.699 70.638 68.868 0.117 0.000 0.996 207 T HN 0.735 nan 8.240 nan 0.000 0.448 208 V N 4.330 124.197 119.914 -0.078 0.000 2.378 208 V HA 0.456 4.577 4.120 0.002 0.000 0.288 208 V C -0.666 175.381 176.094 -0.079 0.000 1.016 208 V CA -0.744 61.514 62.300 -0.070 0.000 0.840 208 V CB 1.213 33.037 31.823 0.002 0.000 0.994 208 V HN 0.701 nan 8.190 nan 0.000 0.431 209 L N 4.463 125.613 121.223 -0.121 0.000 2.276 209 L HA 0.596 4.938 4.340 0.002 0.000 0.286 209 L C -0.158 176.680 176.870 -0.054 0.000 1.024 209 L CA -0.127 54.632 54.840 -0.135 0.000 0.826 209 L CB 1.522 43.413 42.059 -0.279 0.000 1.211 209 L HN 0.571 nan 8.230 nan 0.000 0.422 210 E N 2.065 122.263 120.200 -0.002 0.000 2.165 210 E HA 0.502 4.854 4.350 0.002 0.000 0.266 210 E C 0.519 177.148 176.600 0.049 0.000 0.889 210 E CA -0.276 56.145 56.400 0.035 0.000 0.756 210 E CB 1.906 31.652 29.700 0.076 0.000 1.131 210 E HN 0.542 nan 8.360 nan 0.000 0.411 211 A N 5.385 128.232 122.820 0.044 0.000 2.024 211 A HA -0.062 4.260 4.320 0.002 0.000 0.220 211 A C 0.924 178.540 177.584 0.053 0.000 1.164 211 A CA 1.133 53.200 52.037 0.051 0.000 0.643 211 A CB -0.305 18.720 19.000 0.042 0.000 0.806 211 A HN 0.671 nan 8.150 nan 0.000 0.451 212 M N -0.764 118.867 119.600 0.052 0.000 2.494 212 M HA 0.304 4.785 4.480 0.002 0.000 0.300 212 M C -0.243 176.096 176.300 0.065 0.000 1.189 212 M CA -0.119 55.212 55.300 0.051 0.000 0.982 212 M CB 0.993 33.618 32.600 0.042 0.000 1.534 212 M HN 0.346 nan 8.290 nan 0.000 0.488 213 D N -1.020 119.418 120.400 0.063 0.000 2.538 213 D HA 0.160 4.801 4.640 0.002 0.000 0.231 213 D C -0.520 175.831 176.300 0.085 0.000 1.229 213 D CA -0.299 53.745 54.000 0.074 0.000 0.828 213 D CB 0.390 41.226 40.800 0.060 0.000 1.035 213 D HN 0.052 nan 8.370 nan 0.000 0.495 214 K N 1.224 121.676 120.400 0.088 0.000 2.449 214 K HA 0.252 4.573 4.320 0.002 0.000 0.257 214 K C -1.434 175.238 176.600 0.119 0.000 0.989 214 K CA -0.870 55.469 56.287 0.087 0.000 0.916 214 K CB 1.049 33.577 32.500 0.046 0.000 1.136 214 K HN 0.107 nan 8.250 nan 0.000 0.439 215 F N 4.840 124.796 119.950 0.011 0.000 2.438 215 F HA 0.195 4.723 4.527 0.003 0.000 0.356 215 F C 0.824 176.627 175.800 0.005 0.000 1.099 215 F CA -0.167 57.838 58.000 0.008 0.000 1.185 215 F CB 0.204 39.209 39.000 0.009 0.000 1.115 215 F HN 0.538 nan 8.300 nan 0.000 0.526 216 L N 8.059 128.953 121.223 -0.547 0.000 3.790 216 L HA -0.235 4.106 4.340 0.002 0.000 0.602 216 L C -1.531 175.213 176.870 -0.211 0.000 1.172 216 L CA -0.441 54.114 54.840 -0.476 0.000 0.901 216 L CB -0.851 40.765 42.059 -0.738 0.000 1.342 216 L HN 0.567 nan 8.230 nan 0.000 0.820 217 P HA -0.217 nan 4.420 nan 0.000 0.215 217 P C 1.275 178.541 177.300 -0.058 0.000 1.157 217 P CA 2.013 65.075 63.100 -0.064 0.000 0.868 217 P CB 0.171 31.847 31.700 -0.039 0.000 0.788 218 A N -0.605 122.178 122.820 -0.061 0.000 2.235 218 A HA 0.163 4.485 4.320 0.002 0.000 0.208 218 A C 1.052 178.616 177.584 -0.034 0.000 1.172 218 A CA 0.291 52.306 52.037 -0.038 0.000 0.786 218 A CB -0.655 18.328 19.000 -0.029 0.000 0.804 218 A HN 0.082 nan 8.150 nan 0.000 0.479 219 V N 0.842 120.718 119.914 -0.062 0.000 2.612 219 V HA 0.140 4.261 4.120 0.002 0.000 0.301 219 V C 0.109 176.154 176.094 -0.080 0.000 1.046 219 V CA -1.043 61.223 62.300 -0.057 0.000 0.946 219 V CB 1.668 33.435 31.823 -0.094 0.000 1.003 219 V HN 0.431 nan 8.190 nan 0.000 0.459 220 D N 2.959 123.273 120.400 -0.143 0.000 2.531 220 D HA -0.063 4.579 4.640 0.002 0.000 0.239 220 D C 1.327 177.590 176.300 -0.061 0.000 1.144 220 D CA 0.442 54.322 54.000 -0.200 0.000 0.869 220 D CB 1.045 41.595 40.800 -0.418 0.000 1.160 220 D HN 0.847 nan 8.370 nan 0.000 0.484 221 E N 3.212 123.390 120.200 -0.037 0.000 2.086 221 E HA -0.315 4.037 4.350 0.002 0.000 0.200 221 E C 1.560 178.200 176.600 0.067 0.000 1.012 221 E CA 1.170 57.580 56.400 0.016 0.000 0.812 221 E CB -0.161 29.544 29.700 0.008 0.000 0.743 221 E HN 0.557 nan 8.360 nan 0.000 0.453 222 Q N 0.486 120.338 119.800 0.086 0.000 2.061 222 Q HA -0.168 4.173 4.340 0.002 0.000 0.204 222 Q C 2.529 178.733 176.000 0.340 0.000 0.984 222 Q CA 2.127 58.037 55.803 0.177 0.000 0.846 222 Q CB -0.107 28.725 28.738 0.156 0.000 0.902 222 Q HN 0.320 nan 8.270 nan 0.000 0.421 223 V N 0.706 120.801 119.914 0.301 0.000 2.295 223 V HA -0.292 3.829 4.120 0.002 0.000 0.246 223 V C 2.340 178.487 176.094 0.088 0.000 1.049 223 V CA 1.880 64.253 62.300 0.122 0.000 1.024 223 V CB -1.064 30.762 31.823 0.004 0.000 0.648 223 V HN 0.405 nan 8.190 nan 0.000 0.447 224 A N -0.560 122.311 122.820 0.085 0.000 1.883 224 A HA -0.242 4.080 4.320 0.002 0.000 0.217 224 A C 2.316 180.057 177.584 0.261 0.000 1.186 224 A CA 1.952 54.068 52.037 0.131 0.000 0.624 224 A CB -0.486 18.555 19.000 0.068 0.000 0.822 224 A HN 0.488 nan 8.150 nan 0.000 0.444 225 K N -0.758 119.755 120.400 0.189 0.000 2.044 225 K HA -0.241 4.081 4.320 0.002 0.000 0.210 225 K C 2.123 178.801 176.600 0.130 0.000 1.049 225 K CA 1.869 58.248 56.287 0.153 0.000 0.927 225 K CB -0.192 32.378 32.500 0.117 0.000 0.713 225 K HN 0.599 nan 8.250 nan 0.000 0.443 226 E N 0.772 121.064 120.200 0.153 0.000 2.058 226 E HA -0.170 4.182 4.350 0.002 0.000 0.194 226 E C 1.769 178.413 176.600 0.074 0.000 0.997 226 E CA 1.536 58.016 56.400 0.135 0.000 0.801 226 E CB -0.171 29.637 29.700 0.181 0.000 0.746 226 E HN 0.297 nan 8.360 nan 0.000 0.450 227 A N 0.435 123.307 122.820 0.086 0.000 1.940 227 A HA -0.286 4.035 4.320 0.002 0.000 0.219 227 A C 2.235 179.870 177.584 0.084 0.000 1.176 227 A CA 1.908 54.000 52.037 0.093 0.000 0.631 227 A CB -0.733 18.374 19.000 0.178 0.000 0.814 227 A HN 0.454 nan 8.150 nan 0.000 0.446 228 Q N -0.586 119.247 119.800 0.055 0.000 2.119 228 Q HA -0.176 4.166 4.340 0.002 0.000 0.201 228 Q C 2.192 178.096 176.000 -0.160 0.000 0.972 228 Q CA 1.704 57.336 55.803 -0.285 0.000 0.847 228 Q CB -0.102 28.407 28.738 -0.381 0.000 0.903 228 Q HN 0.708 nan 8.270 nan 0.000 0.433 229 K N 0.409 120.778 120.400 -0.051 0.000 2.001 229 K HA -0.123 4.198 4.320 0.002 0.000 0.208 229 K C 1.989 178.587 176.600 -0.003 0.000 1.048 229 K CA 1.205 57.479 56.287 -0.022 0.000 0.932 229 K CB -0.154 32.355 32.500 0.015 0.000 0.715 229 K HN 0.227 nan 8.250 nan 0.000 0.437 230 I N 1.279 121.854 120.570 0.009 0.000 2.286 230 I HA -0.284 3.887 4.170 0.002 0.000 0.248 230 I C 2.205 178.341 176.117 0.032 0.000 1.115 230 I CA 0.975 62.291 61.300 0.027 0.000 1.392 230 I CB -0.051 37.953 38.000 0.007 0.000 1.065 230 I HN 0.178 nan 8.210 nan 0.000 0.418 231 L N -0.562 120.648 121.223 -0.021 0.000 2.179 231 L HA -0.124 4.217 4.340 0.002 0.000 0.208 231 L C 2.488 179.387 176.870 0.047 0.000 1.096 231 L CA 1.189 56.041 54.840 0.020 0.000 0.779 231 L CB -0.400 41.641 42.059 -0.031 0.000 0.922 231 L HN 0.126 nan 8.230 nan 0.000 0.443 232 T N -0.855 113.688 114.554 -0.017 0.000 2.857 232 T HA -0.159 4.192 4.350 0.002 0.000 0.266 232 T C 1.890 176.607 174.700 0.028 0.000 1.048 232 T CA 1.079 63.170 62.100 -0.015 0.000 1.139 232 T CB 0.058 68.893 68.868 -0.055 0.000 0.874 232 T HN 0.162 nan 8.240 nan 0.000 0.455 233 K N 0.873 121.301 120.400 0.046 0.000 2.280 233 K HA 0.004 4.325 4.320 0.002 0.000 0.202 233 K C 2.170 178.822 176.600 0.087 0.000 1.047 233 K CA 0.702 57.028 56.287 0.064 0.000 0.942 233 K CB 0.058 32.601 32.500 0.071 0.000 0.739 233 K HN 0.195 nan 8.250 nan 0.000 0.457 234 Q N -0.298 119.576 119.800 0.123 0.000 2.365 234 Q HA -0.011 4.330 4.340 0.002 0.000 0.203 234 Q C 0.413 176.426 176.000 0.021 0.000 0.929 234 Q CA 0.737 56.589 55.803 0.082 0.000 0.948 234 Q CB 0.690 29.497 28.738 0.115 0.000 1.043 234 Q HN 0.461 nan 8.270 nan 0.000 0.505 235 G N 0.749 109.574 108.800 0.040 0.000 2.163 235 G HA2 -0.224 3.738 3.960 0.002 0.000 0.213 235 G HA3 -0.224 3.738 3.960 0.002 0.000 0.213 235 G C -0.342 174.576 174.900 0.030 0.000 0.991 235 G CA -0.008 45.107 45.100 0.024 0.000 0.653 235 G HN 0.262 nan 8.290 nan 0.000 0.518 236 L N 1.084 122.334 121.223 0.044 0.000 2.360 236 L HA 0.498 4.840 4.340 0.002 0.000 0.276 236 L C 0.739 177.618 176.870 0.015 0.000 1.121 236 L CA 0.275 55.138 54.840 0.038 0.000 0.845 236 L CB 1.355 43.448 42.059 0.057 0.000 1.143 236 L HN 0.191 nan 8.230 nan 0.000 0.452 237 K N 4.698 125.108 120.400 0.016 0.000 2.404 237 K HA 0.365 4.687 4.320 0.002 0.000 0.257 237 K C -0.878 175.720 176.600 -0.003 0.000 1.026 237 K CA -0.792 55.500 56.287 0.010 0.000 0.951 237 K CB 0.688 33.210 32.500 0.036 0.000 1.203 237 K HN 0.480 nan 8.250 nan 0.000 0.446 238 I N 5.768 126.318 120.570 -0.034 0.000 2.312 238 I HA 0.205 4.376 4.170 0.002 0.000 0.291 238 I C -1.182 174.917 176.117 -0.029 0.000 1.031 238 I CA -0.318 60.955 61.300 -0.044 0.000 1.293 238 I CB 0.433 38.363 38.000 -0.118 0.000 1.403 238 I HN 0.511 nan 8.210 nan 0.000 0.484 239 L N 8.386 129.607 121.223 -0.003 0.000 2.264 239 L HA 0.423 4.765 4.340 0.002 0.000 0.287 239 L C -0.530 176.364 176.870 0.040 0.000 1.039 239 L CA -0.516 54.341 54.840 0.028 0.000 0.829 239 L CB 0.488 42.568 42.059 0.036 0.000 1.211 239 L HN 0.539 nan 8.230 nan 0.000 0.427 240 L N 2.747 124.002 121.223 0.053 0.000 2.343 240 L HA 0.567 4.908 4.340 0.002 0.000 0.275 240 L C 1.178 178.095 176.870 0.079 0.000 1.056 240 L CA -0.109 54.773 54.840 0.071 0.000 0.804 240 L CB 1.476 43.582 42.059 0.080 0.000 1.203 240 L HN 0.842 nan 8.230 nan 0.000 0.440 241 G N 1.815 110.663 108.800 0.079 0.000 2.143 241 G HA2 -0.216 3.745 3.960 0.002 0.000 0.249 241 G HA3 -0.216 3.745 3.960 0.002 0.000 0.249 241 G C 0.199 175.163 174.900 0.106 0.000 0.981 241 G CA -0.013 45.136 45.100 0.082 0.000 0.665 241 G HN 0.913 nan 8.290 nan 0.000 0.528 242 A N 0.046 122.937 122.820 0.119 0.000 2.309 242 A HA 0.809 5.130 4.320 0.002 0.000 0.290 242 A C 0.533 178.204 177.584 0.146 0.000 1.206 242 A CA -0.125 52.024 52.037 0.188 0.000 0.850 242 A CB 0.381 19.464 19.000 0.140 0.000 1.118 242 A HN 0.439 nan 8.150 nan 0.000 0.523 243 R N 0.919 121.522 120.500 0.172 0.000 2.407 243 R HA 0.474 4.816 4.340 0.002 0.000 0.303 243 R C -0.274 176.135 176.300 0.182 0.000 0.981 243 R CA -0.444 55.734 56.100 0.130 0.000 0.905 243 R CB 1.814 32.174 30.300 0.100 0.000 1.099 243 R HN 0.600 nan 8.270 nan 0.000 0.459 244 V N 2.777 122.774 119.914 0.139 0.000 2.407 244 V HA 0.271 4.393 4.120 0.002 0.000 0.278 244 V C 0.808 176.976 176.094 0.123 0.000 1.037 244 V CA 0.049 62.452 62.300 0.172 0.000 0.900 244 V CB 1.386 33.281 31.823 0.119 0.000 0.983 244 V HN 1.017 nan 8.190 nan 0.000 0.459 245 T N 3.359 117.994 114.554 0.136 0.000 2.894 245 T HA 0.447 4.798 4.350 0.002 0.000 0.258 245 T C 0.887 175.632 174.700 0.075 0.000 1.043 245 T CA 0.615 62.768 62.100 0.088 0.000 1.141 245 T CB -0.048 68.864 68.868 0.072 0.000 0.873 245 T HN 1.440 nan 8.240 nan 0.000 0.449 246 G N -0.767 108.086 108.800 0.088 0.000 2.623 246 G HA2 0.520 4.481 3.960 0.002 0.000 0.290 246 G HA3 0.520 4.481 3.960 0.002 0.000 0.290 246 G C -1.753 173.195 174.900 0.081 0.000 1.437 246 G CA -0.580 44.562 45.100 0.068 0.000 0.798 246 G HN 0.111 nan 8.290 nan 0.000 0.488 247 T N 0.412 115.004 114.554 0.064 0.000 2.881 247 T HA 0.550 4.901 4.350 0.002 0.000 0.290 247 T C -1.153 173.576 174.700 0.048 0.000 1.000 247 T CA -0.371 61.769 62.100 0.067 0.000 0.978 247 T CB 1.660 70.566 68.868 0.063 0.000 0.997 247 T HN 0.385 nan 8.240 nan 0.000 0.443 248 E N 2.703 122.930 120.200 0.046 0.000 2.186 248 E HA 0.422 4.774 4.350 0.002 0.000 0.255 248 E C -0.923 175.694 176.600 0.028 0.000 0.881 248 E CA -0.511 55.906 56.400 0.029 0.000 0.752 248 E CB 1.662 31.374 29.700 0.020 0.000 1.176 248 E HN 0.295 nan 8.360 nan 0.000 0.421 249 V N 4.301 124.230 119.914 0.024 0.000 2.406 249 V HA 0.092 4.214 4.120 0.002 0.000 0.272 249 V C 0.811 176.911 176.094 0.010 0.000 1.043 249 V CA -0.065 62.246 62.300 0.019 0.000 0.915 249 V CB 1.330 33.164 31.823 0.019 0.000 0.988 249 V HN 0.564 nan 8.190 nan 0.000 0.466 250 K N 4.186 124.589 120.400 0.005 0.000 2.183 250 K HA 0.198 4.519 4.320 0.002 0.000 0.218 250 K C 1.106 177.704 176.600 -0.004 0.000 1.025 250 K CA 1.545 57.831 56.287 -0.001 0.000 0.944 250 K CB 0.146 32.643 32.500 -0.005 0.000 0.936 250 K HN 0.812 nan 8.250 nan 0.000 0.460 251 N N -2.123 116.572 118.700 -0.009 0.000 2.351 251 N HA -0.093 4.649 4.740 0.002 0.000 0.327 251 N C 0.661 176.160 175.510 -0.019 0.000 0.832 251 N CA 0.745 53.788 53.050 -0.012 0.000 0.596 251 N CB -0.060 38.420 38.487 -0.011 0.000 2.321 251 N HN 0.202 nan 8.380 nan 0.000 1.009 252 K N 0.012 120.400 120.400 -0.020 0.000 2.159 252 K HA 0.333 4.655 4.320 0.002 0.000 0.210 252 K C 0.516 177.098 176.600 -0.029 0.000 1.026 252 K CA 0.347 56.617 56.287 -0.028 0.000 0.959 252 K CB 0.148 32.632 32.500 -0.027 0.000 0.890 252 K HN 0.143 nan 8.250 nan 0.000 0.459 253 Q N 0.606 120.394 119.800 -0.019 0.000 2.572 253 Q HA 0.500 4.841 4.340 0.002 0.000 0.284 253 Q C -1.367 174.640 176.000 0.012 0.000 1.091 253 Q CA -1.317 54.482 55.803 -0.008 0.000 0.840 253 Q CB 2.769 31.495 28.738 -0.020 0.000 1.433 253 Q HN 0.039 nan 8.270 nan 0.000 0.471 254 V N 0.859 120.801 119.914 0.046 0.000 2.334 254 V HA 0.327 4.448 4.120 0.002 0.000 0.281 254 V C -0.444 175.691 176.094 0.068 0.000 1.016 254 V CA -0.741 61.605 62.300 0.077 0.000 0.832 254 V CB 1.134 33.041 31.823 0.140 0.000 0.999 254 V HN 0.688 nan 8.190 nan 0.000 0.439 255 T N 4.649 119.224 114.554 0.034 0.000 2.780 255 T HA 0.494 4.846 4.350 0.002 0.000 0.294 255 T C -0.182 174.559 174.700 0.068 0.000 0.949 255 T CA -0.101 62.002 62.100 0.004 0.000 1.074 255 T CB 1.426 70.290 68.868 -0.007 0.000 0.910 255 T HN 0.406 nan 8.240 nan 0.000 0.501 256 V N 4.787 124.767 119.914 0.111 0.000 2.487 256 V HA 0.410 4.531 4.120 0.002 0.000 0.298 256 V C -0.287 175.974 176.094 0.278 0.000 1.028 256 V CA -0.914 61.511 62.300 0.209 0.000 0.860 256 V CB 1.872 33.886 31.823 0.318 0.000 0.991 256 V HN 0.715 nan 8.190 nan 0.000 0.427 257 K N 5.306 125.840 120.400 0.223 0.000 2.087 257 K HA 0.843 5.165 4.320 0.002 0.000 0.255 257 K C -0.710 176.094 176.600 0.340 0.000 0.988 257 K CA -0.125 56.274 56.287 0.187 0.000 0.915 257 K CB 0.963 33.505 32.500 0.071 0.000 1.043 257 K HN 0.552 nan 8.250 nan 0.000 0.457 258 F N -2.934 117.040 119.950 0.039 0.000 2.770 258 F HA 0.595 5.123 4.527 0.002 0.000 0.313 258 F C -1.684 174.136 175.800 0.034 0.000 1.154 258 F CA -1.409 56.617 58.000 0.044 0.000 0.923 258 F CB 0.675 39.713 39.000 0.064 0.000 1.301 258 F HN 0.107 nan 8.300 nan 0.000 0.449 259 V N 1.658 121.637 119.914 0.108 0.000 2.588 259 V HA 0.583 4.705 4.120 0.002 0.000 0.304 259 V C -1.463 174.704 176.094 0.121 0.000 1.042 259 V CA -0.576 61.736 62.300 0.020 0.000 0.877 259 V CB 1.863 33.704 31.823 0.029 0.000 0.996 259 V HN 0.912 nan 8.190 nan 0.000 0.425 260 D N 3.804 124.250 120.400 0.076 0.000 2.668 260 D HA 0.439 5.080 4.640 0.002 0.000 0.247 260 D C 0.502 176.838 176.300 0.059 0.000 1.268 260 D CA 0.246 54.318 54.000 0.121 0.000 0.842 260 D CB 1.153 42.097 40.800 0.240 0.000 1.399 260 D HN 0.917 nan 8.370 nan 0.000 0.530 261 A N 1.886 124.731 122.820 0.042 0.000 3.976 261 A HA -0.336 3.985 4.320 0.002 0.000 0.246 261 A C 0.102 177.687 177.584 0.003 0.000 0.591 261 A CA 2.025 54.076 52.037 0.023 0.000 1.143 261 A CB -1.577 17.438 19.000 0.024 0.000 1.238 261 A HN 0.556 nan 8.150 nan 0.000 0.666 262 E N -0.862 119.329 120.200 -0.015 0.000 2.266 262 E HA 0.554 4.906 4.350 0.002 0.000 0.268 262 E C 0.026 176.573 176.600 -0.088 0.000 0.879 262 E CA 0.115 56.489 56.400 -0.043 0.000 0.762 262 E CB 1.377 31.049 29.700 -0.047 0.000 1.199 262 E HN 0.876 nan 8.360 nan 0.000 0.422 263 G N 2.450 111.193 108.800 -0.095 0.000 2.519 263 G HA2 0.351 4.312 3.960 0.002 0.000 0.306 263 G HA3 0.351 4.312 3.960 0.002 0.000 0.306 263 G C -0.388 174.383 174.900 -0.215 0.000 0.965 263 G CA -0.336 44.682 45.100 -0.137 0.000 1.291 263 G HN 0.505 nan 8.290 nan 0.000 0.450 264 E N 1.371 121.325 120.200 -0.409 0.000 2.393 264 E HA 0.636 4.987 4.350 0.002 0.000 0.265 264 E C -1.144 175.062 176.600 -0.657 0.000 0.941 264 E CA -1.209 54.922 56.400 -0.449 0.000 0.801 264 E CB 2.202 31.666 29.700 -0.393 0.000 1.313 264 E HN 0.226 nan 8.360 nan 0.000 0.435 265 K N 1.262 121.447 120.400 -0.359 0.000 2.507 265 K HA 0.293 4.614 4.320 0.002 0.000 0.252 265 K C -1.500 175.113 176.600 0.022 0.000 0.943 265 K CA -0.518 55.695 56.287 -0.123 0.000 0.808 265 K CB 2.193 34.663 32.500 -0.051 0.000 1.142 265 K HN 0.465 nan 8.250 nan 0.000 0.426 266 S N 2.629 118.524 115.700 0.325 0.000 2.525 266 S HA 0.145 4.617 4.470 0.002 0.000 0.278 266 S C -0.592 173.857 174.600 -0.251 0.000 1.234 266 S CA -0.416 57.853 58.200 0.116 0.000 1.058 266 S CB 1.128 64.451 63.200 0.205 0.000 0.983 266 S HN 0.585 nan 8.310 nan 0.000 0.495 267 Q N 2.459 122.094 119.800 -0.276 0.000 2.239 267 Q HA 0.334 4.676 4.340 0.002 0.000 0.286 267 Q C 0.273 175.902 176.000 -0.619 0.000 1.102 267 Q CA 0.436 56.042 55.803 -0.329 0.000 0.936 267 Q CB 0.112 28.736 28.738 -0.191 0.000 1.127 267 Q HN 0.828 nan 8.270 nan 0.000 0.380 268 A N 4.493 127.061 122.820 -0.420 0.000 1.562 268 A HA -0.221 4.100 4.320 0.002 0.000 0.264 268 A C -0.586 176.850 177.584 -0.246 0.000 1.128 268 A CA 0.362 52.240 52.037 -0.265 0.000 1.020 268 A CB -1.285 17.634 19.000 -0.136 0.000 1.050 268 A HN 0.539 nan 8.150 nan 0.000 0.248 269 F N 0.821 120.763 119.950 -0.014 0.000 2.440 269 F HA 0.221 4.750 4.527 0.002 0.000 0.323 269 F C 1.488 177.251 175.800 -0.061 0.000 1.192 269 F CA 0.057 58.035 58.000 -0.037 0.000 1.252 269 F CB 0.433 39.411 39.000 -0.037 0.000 1.214 269 F HN 0.528 nan 8.300 nan 0.000 0.578 270 D N -0.113 120.350 120.400 0.105 0.000 2.347 270 D HA -0.005 4.636 4.640 0.002 0.000 0.215 270 D C 0.378 176.629 176.300 -0.081 0.000 0.976 270 D CA 1.082 55.066 54.000 -0.026 0.000 0.884 270 D CB 0.232 40.971 40.800 -0.101 0.000 0.915 270 D HN 0.257 nan 8.370 nan 0.000 0.526 271 K N -0.091 120.279 120.400 -0.051 0.000 2.578 271 K HA 0.432 4.754 4.320 0.002 0.000 0.269 271 K C -2.307 174.267 176.600 -0.043 0.000 0.941 271 K CA -0.662 55.557 56.287 -0.113 0.000 0.847 271 K CB 1.770 34.038 32.500 -0.388 0.000 1.397 271 K HN -0.114 nan 8.250 nan 0.000 0.422 272 L N 4.818 126.041 121.223 0.001 0.000 2.381 272 L HA 0.632 4.974 4.340 0.002 0.000 0.274 272 L C -1.370 175.508 176.870 0.013 0.000 0.988 272 L CA -0.439 54.378 54.840 -0.039 0.000 0.824 272 L CB 1.349 43.413 42.059 0.007 0.000 1.263 272 L HN 0.679 nan 8.230 nan 0.000 0.410 273 I N 5.349 125.911 120.570 -0.012 0.000 2.331 273 I HA 0.334 4.505 4.170 0.002 0.000 0.292 273 I C -0.560 175.549 176.117 -0.013 0.000 0.998 273 I CA -0.834 60.478 61.300 0.019 0.000 1.267 273 I CB 1.656 39.679 38.000 0.037 0.000 1.386 273 I HN 0.220 nan 8.210 nan 0.000 0.476 274 V N 6.331 126.244 119.914 -0.001 0.000 2.318 274 V HA 0.461 4.582 4.120 0.002 0.000 0.271 274 V C 0.500 176.593 176.094 -0.002 0.000 1.030 274 V CA -0.262 62.036 62.300 -0.004 0.000 0.844 274 V CB 1.062 32.889 31.823 0.006 0.000 1.015 274 V HN 0.874 nan 8.190 nan 0.000 0.460 275 A N 4.394 127.212 122.820 -0.004 0.000 3.253 275 A HA 0.533 4.854 4.320 0.002 0.000 0.290 275 A C 0.763 178.349 177.584 0.004 0.000 0.950 275 A CA 0.100 52.137 52.037 0.001 0.000 0.986 275 A CB 0.683 19.685 19.000 0.003 0.000 1.104 275 A HN 0.879 nan 8.150 nan 0.000 0.481 276 V N -2.626 117.291 119.914 0.005 0.000 2.825 276 V HA 0.627 4.749 4.120 0.002 0.000 0.246 276 V C 0.870 176.971 176.094 0.011 0.000 1.068 276 V CA 0.917 63.222 62.300 0.008 0.000 1.088 276 V CB -0.339 31.490 31.823 0.011 0.000 0.733 276 V HN 1.053 nan 8.190 nan 0.000 0.468 277 G N -0.367 108.440 108.800 0.012 0.000 2.495 277 G HA2 0.618 4.580 3.960 0.002 0.000 0.294 277 G HA3 0.618 4.580 3.960 0.002 0.000 0.294 277 G C -1.686 173.222 174.900 0.013 0.000 1.397 277 G CA -1.167 43.944 45.100 0.017 0.000 0.790 277 G HN 0.245 nan 8.290 nan 0.000 0.486 278 R N -0.545 119.967 120.500 0.020 0.000 2.686 278 R HA 0.711 5.052 4.340 0.002 0.000 0.286 278 R C -0.685 175.622 176.300 0.012 0.000 0.969 278 R CA -0.934 55.172 56.100 0.010 0.000 0.898 278 R CB 2.813 33.120 30.300 0.012 0.000 1.183 278 R HN 0.545 nan 8.270 nan 0.000 0.456 279 R N 2.227 122.709 120.500 -0.030 0.000 2.778 279 R HA 0.467 4.808 4.340 0.002 0.000 0.277 279 R C -2.565 173.630 176.300 -0.174 0.000 0.977 279 R CA -1.984 54.059 56.100 -0.097 0.000 0.950 279 R CB 1.309 31.553 30.300 -0.092 0.000 1.165 279 R HN 0.319 nan 8.270 nan 0.000 0.474 280 P HA 0.050 nan 4.420 nan 0.000 0.271 280 P C -0.908 176.256 177.300 -0.227 0.000 1.218 280 P CA -0.160 62.735 63.100 -0.341 0.000 0.780 280 P CB 1.043 32.356 31.700 -0.645 0.000 0.901 281 V N 3.478 123.309 119.914 -0.138 0.000 2.370 281 V HA 0.251 4.372 4.120 0.002 0.000 0.283 281 V C 1.166 177.217 176.094 -0.072 0.000 1.023 281 V CA 0.217 62.467 62.300 -0.083 0.000 0.857 281 V CB 1.017 32.815 31.823 -0.043 0.000 0.985 281 V HN 0.798 nan 8.190 nan 0.000 0.443 282 T N -1.209 113.308 114.554 -0.061 0.000 3.087 282 T HA 0.000 4.351 4.350 0.002 0.000 0.283 282 T C 1.526 176.222 174.700 -0.007 0.000 0.956 282 T CA 0.478 62.552 62.100 -0.043 0.000 0.894 282 T CB 0.276 69.103 68.868 -0.068 0.000 1.160 282 T HN 0.509 nan 8.240 nan 0.000 0.532 283 T N 3.206 117.766 114.554 0.009 0.000 2.442 283 T HA -0.207 4.144 4.350 0.002 0.000 0.237 283 T C 0.448 175.182 174.700 0.056 0.000 1.361 283 T CA 2.075 64.195 62.100 0.033 0.000 1.127 283 T CB -0.486 68.418 68.868 0.059 0.000 0.845 283 T HN 0.478 nan 8.240 nan 0.000 0.433 284 D N 0.935 121.415 120.400 0.133 0.000 2.502 284 D HA 0.401 5.043 4.640 0.002 0.000 0.301 284 D C -0.150 176.252 176.300 0.170 0.000 1.202 284 D CA -0.020 54.071 54.000 0.151 0.000 0.878 284 D CB 0.620 41.505 40.800 0.142 0.000 1.062 284 D HN 0.307 nan 8.370 nan 0.000 0.499 285 L N 0.963 122.224 121.223 0.063 0.000 3.229 285 L HA 0.174 4.515 4.340 0.002 0.000 0.286 285 L C 0.866 177.742 176.870 0.011 0.000 1.239 285 L CA 0.067 54.917 54.840 0.017 0.000 1.035 285 L CB 0.843 42.892 42.059 -0.017 0.000 1.408 285 L HN 0.061 nan 8.230 nan 0.000 0.593 286 L N -0.427 120.806 121.223 0.017 0.000 2.966 286 L HA 0.540 4.881 4.340 0.002 0.000 0.262 286 L C 1.509 178.384 176.870 0.008 0.000 1.165 286 L CA 0.853 55.697 54.840 0.008 0.000 0.978 286 L CB 0.140 42.202 42.059 0.005 0.000 1.337 286 L HN 0.168 nan 8.230 nan 0.000 0.563 287 A N 0.600 123.428 122.820 0.013 0.000 2.290 287 A HA -0.377 3.944 4.320 0.002 0.000 0.359 287 A C 1.775 179.364 177.584 0.007 0.000 1.653 287 A CA 3.315 55.358 52.037 0.010 0.000 1.039 287 A CB -1.956 17.048 19.000 0.006 0.000 1.478 287 A HN 1.209 nan 8.150 nan 0.000 0.694 288 A N -3.736 119.087 122.820 0.005 0.000 1.535 288 A HA 0.504 4.825 4.320 0.002 0.000 0.215 288 A C 0.198 177.784 177.584 0.003 0.000 1.813 288 A CA 1.197 53.236 52.037 0.003 0.000 1.373 288 A CB 0.688 19.690 19.000 0.002 0.000 1.304 288 A HN 0.881 nan 8.150 nan 0.000 0.391 289 D N -0.305 120.097 120.400 0.003 0.000 2.764 289 D HA 0.317 4.958 4.640 0.002 0.000 0.227 289 D C 0.508 176.808 176.300 0.001 0.000 1.347 289 D CA 0.683 54.685 54.000 0.003 0.000 0.953 289 D CB 1.975 42.777 40.800 0.003 0.000 1.476 289 D HN 0.215 nan 8.370 nan 0.000 0.585 290 S N 1.518 117.218 115.700 0.001 0.000 2.395 290 S HA 0.149 4.621 4.470 0.002 0.000 0.225 290 S C 1.517 176.114 174.600 -0.004 0.000 1.027 290 S CA 1.173 59.371 58.200 -0.002 0.000 0.965 290 S CB 0.485 63.683 63.200 -0.003 0.000 0.812 290 S HN 0.805 nan 8.310 nan 0.000 0.482 291 G N -0.015 108.785 108.800 -0.001 0.000 2.229 291 G HA2 -0.154 3.807 3.960 0.002 0.000 0.189 291 G HA3 -0.154 3.807 3.960 0.002 0.000 0.189 291 G C -0.046 174.856 174.900 0.004 0.000 1.000 291 G CA -0.174 44.925 45.100 -0.001 0.000 0.663 291 G HN 0.593 nan 8.290 nan 0.000 0.493 292 V N 2.673 122.591 119.914 0.006 0.000 2.530 292 V HA 0.499 4.621 4.120 0.002 0.000 0.282 292 V C 0.897 177.012 176.094 0.034 0.000 1.048 292 V CA 0.443 62.753 62.300 0.016 0.000 0.997 292 V CB 1.317 33.146 31.823 0.010 0.000 0.987 292 V HN 0.342 nan 8.190 nan 0.000 0.477 293 T N 6.422 121.015 114.554 0.065 0.000 2.856 293 T HA 0.534 4.886 4.350 0.002 0.000 0.292 293 T C -0.327 174.421 174.700 0.080 0.000 0.980 293 T CA -0.453 61.705 62.100 0.096 0.000 1.091 293 T CB 1.037 70.011 68.868 0.178 0.000 0.936 293 T HN 0.196 nan 8.240 nan 0.000 0.503 294 L N 2.620 123.859 121.223 0.026 0.000 2.344 294 L HA 0.476 4.818 4.340 0.002 0.000 0.272 294 L C 0.336 177.120 176.870 -0.144 0.000 1.035 294 L CA -0.606 54.197 54.840 -0.061 0.000 0.807 294 L CB 1.367 43.393 42.059 -0.055 0.000 1.237 294 L HN 0.759 nan 8.230 nan 0.000 0.442 295 D N -0.261 119.920 120.400 -0.366 0.000 2.348 295 D HA 0.155 4.796 4.640 0.002 0.000 0.249 295 D C 0.602 176.768 176.300 -0.223 0.000 1.110 295 D CA -0.159 53.433 54.000 -0.679 0.000 0.967 295 D CB 1.194 41.438 40.800 -0.926 0.000 1.139 295 D HN 0.550 nan 8.370 nan 0.000 0.466 296 E N 0.103 120.225 120.200 -0.130 0.000 2.204 296 E HA -0.102 4.249 4.350 0.002 0.000 0.195 296 E C 1.396 177.999 176.600 0.005 0.000 0.990 296 E CA 0.940 57.330 56.400 -0.017 0.000 0.821 296 E CB 0.119 29.841 29.700 0.037 0.000 0.750 296 E HN 0.283 nan 8.360 nan 0.000 0.477 297 R N -1.323 119.207 120.500 0.050 0.000 2.280 297 R HA 0.229 4.571 4.340 0.002 0.000 0.195 297 R C 1.227 177.532 176.300 0.009 0.000 0.935 297 R CA 0.822 56.991 56.100 0.116 0.000 1.033 297 R CB 0.745 31.238 30.300 0.321 0.000 0.964 297 R HN 0.331 nan 8.270 nan 0.000 0.489 298 G N -0.444 108.307 108.800 -0.081 0.000 2.336 298 G HA2 -0.211 3.751 3.960 0.002 0.000 0.194 298 G HA3 -0.211 3.751 3.960 0.002 0.000 0.194 298 G C 0.167 174.836 174.900 -0.384 0.000 0.999 298 G CA -0.571 44.372 45.100 -0.262 0.000 0.669 298 G HN 0.142 nan 8.290 nan 0.000 0.482 299 F N 1.314 121.177 119.950 -0.146 0.000 2.408 299 F HA 0.622 5.151 4.527 0.003 0.000 0.303 299 F C 1.453 177.150 175.800 -0.173 0.000 1.268 299 F CA -0.221 57.695 58.000 -0.140 0.000 1.218 299 F CB 0.376 39.288 39.000 -0.148 0.000 1.283 299 F HN -0.077 nan 8.300 nan 0.000 0.545 300 I N 0.773 121.389 120.570 0.076 0.000 2.428 300 I HA 0.125 4.296 4.170 0.002 0.000 0.296 300 I C -0.904 175.265 176.117 0.086 0.000 0.985 300 I CA -0.839 60.484 61.300 0.039 0.000 1.260 300 I CB 0.969 39.004 38.000 0.058 0.000 1.389 300 I HN 0.299 nan 8.210 nan 0.000 0.484 301 Y N 5.261 125.603 120.300 0.069 0.000 2.359 301 Y HA 0.388 4.940 4.550 0.003 0.000 0.334 301 Y C 0.273 176.191 175.900 0.030 0.000 1.058 301 Y CA -0.674 57.452 58.100 0.044 0.000 1.244 301 Y CB 1.078 39.553 38.460 0.026 0.000 1.187 301 Y HN 0.259 nan 8.280 nan 0.000 0.510 302 V N 1.039 121.105 119.914 0.254 0.000 3.114 302 V HA 0.639 4.760 4.120 0.002 0.000 0.308 302 V C -0.572 175.578 176.094 0.094 0.000 1.168 302 V CA -1.216 61.167 62.300 0.139 0.000 1.015 302 V CB 2.011 33.918 31.823 0.141 0.000 1.050 302 V HN 0.596 nan 8.190 nan 0.000 0.433 303 D N 0.248 120.690 120.400 0.071 0.000 2.469 303 D HA 0.211 4.852 4.640 0.002 0.000 0.278 303 D C 0.564 176.924 176.300 0.101 0.000 1.231 303 D CA -0.128 53.901 54.000 0.048 0.000 1.075 303 D CB 0.220 41.031 40.800 0.018 0.000 1.121 303 D HN 0.492 nan 8.370 nan 0.000 0.571 304 D N -1.588 118.889 120.400 0.130 0.000 2.263 304 D HA -0.143 4.498 4.640 0.002 0.000 0.208 304 D C 0.607 177.134 176.300 0.379 0.000 0.971 304 D CA 1.042 55.151 54.000 0.182 0.000 0.867 304 D CB -0.185 40.757 40.800 0.237 0.000 0.929 304 D HN 0.361 nan 8.370 nan 0.000 0.492 305 Y N -0.717 119.640 120.300 0.094 0.000 2.571 305 Y HA 0.205 4.756 4.550 0.002 0.000 0.275 305 Y C 1.083 177.093 175.900 0.184 0.000 1.179 305 Y CA -1.356 56.832 58.100 0.146 0.000 1.242 305 Y CB -0.619 37.928 38.460 0.146 0.000 1.126 305 Y HN -0.048 nan 8.280 nan 0.000 0.524 306 C N 0.014 119.491 119.300 0.295 0.000 4.326 306 C HA -0.168 4.293 4.460 0.002 0.000 0.284 306 C C 1.360 176.538 174.990 0.313 0.000 1.419 306 C CA -0.001 59.176 59.018 0.266 0.000 1.920 306 C CB -2.327 25.560 27.740 0.245 0.000 1.306 306 C HN 0.610 nan 8.230 nan 0.000 0.786 307 A N 1.252 124.230 122.820 0.264 0.000 2.366 307 A HA 0.578 4.900 4.320 0.002 0.000 0.272 307 A C 0.802 178.377 177.584 -0.015 0.000 1.135 307 A CA 0.856 52.917 52.037 0.041 0.000 0.804 307 A CB 0.445 19.463 19.000 0.030 0.000 1.064 307 A HN 0.984 nan 8.150 nan 0.000 0.499 308 T N -0.175 114.325 114.554 -0.090 0.000 2.865 308 T HA 0.316 4.667 4.350 0.002 0.000 0.302 308 T C 1.415 176.079 174.700 -0.059 0.000 1.078 308 T CA 0.207 62.288 62.100 -0.033 0.000 0.942 308 T CB 0.107 68.962 68.868 -0.022 0.000 1.387 308 T HN 0.715 nan 8.240 nan 0.000 0.557 309 S N -0.744 114.940 115.700 -0.027 0.000 2.423 309 S HA 0.038 4.510 4.470 0.002 0.000 0.231 309 S C 0.867 175.437 174.600 -0.050 0.000 1.014 309 S CA 0.062 58.243 58.200 -0.032 0.000 0.965 309 S CB -0.420 62.778 63.200 -0.004 0.000 0.785 309 S HN 0.550 nan 8.310 nan 0.000 0.495 310 V N 4.104 123.980 119.914 -0.063 0.000 2.368 310 V HA 0.207 4.329 4.120 0.002 0.000 0.266 310 V C -1.503 174.519 176.094 -0.119 0.000 1.045 310 V CA -1.632 60.626 62.300 -0.070 0.000 0.899 310 V CB 1.066 32.857 31.823 -0.054 0.000 1.006 310 V HN 0.107 nan 8.190 nan 0.000 0.470 311 P HA -0.139 nan 4.420 nan 0.000 0.216 311 P C 1.364 178.562 177.300 -0.169 0.000 1.154 311 P CA 1.428 64.457 63.100 -0.119 0.000 0.865 311 P CB 0.235 31.900 31.700 -0.059 0.000 0.789 312 G N -1.508 107.221 108.800 -0.118 0.000 3.383 312 G HA2 0.237 4.199 3.960 0.002 0.000 0.251 312 G HA3 0.237 4.199 3.960 0.002 0.000 0.251 312 G C -0.255 174.546 174.900 -0.164 0.000 1.203 312 G CA 0.056 45.100 45.100 -0.094 0.000 0.852 312 G HN 0.141 nan 8.290 nan 0.000 0.531 313 V N 0.462 120.170 119.914 -0.344 0.000 2.531 313 V HA 0.525 4.646 4.120 0.002 0.000 0.301 313 V C -1.102 174.744 176.094 -0.413 0.000 1.034 313 V CA -1.053 61.102 62.300 -0.242 0.000 0.865 313 V CB 1.200 32.962 31.823 -0.102 0.000 0.995 313 V HN 0.252 nan 8.190 nan 0.000 0.424 314 Y N 1.951 122.268 120.300 0.027 0.000 2.549 314 Y HA 0.862 5.413 4.550 0.002 0.000 0.339 314 Y C 0.301 176.223 175.900 0.037 0.000 1.053 314 Y CA -0.982 57.142 58.100 0.040 0.000 1.105 314 Y CB 2.199 40.682 38.460 0.039 0.000 1.258 314 Y HN 0.701 nan 8.280 nan 0.000 0.478 315 A N 2.732 125.668 122.820 0.193 0.000 2.402 315 A HA 0.769 5.091 4.320 0.002 0.000 0.291 315 A C -1.027 176.632 177.584 0.125 0.000 1.051 315 A CA -0.598 51.516 52.037 0.128 0.000 0.716 315 A CB 0.417 19.476 19.000 0.099 0.000 1.223 315 A HN 0.742 nan 8.150 nan 0.000 0.425 316 I N 0.008 120.633 120.570 0.091 0.000 2.910 316 I HA 0.963 5.134 4.170 0.002 0.000 0.310 316 I C 0.638 176.789 176.117 0.056 0.000 1.043 316 I CA -0.203 61.141 61.300 0.073 0.000 1.053 316 I CB 1.928 39.949 38.000 0.035 0.000 1.242 316 I HN 1.619 nan 8.210 nan 0.000 0.452 317 G N 3.245 112.073 108.800 0.048 0.000 2.542 317 G HA2 -0.243 3.719 3.960 0.002 0.000 0.235 317 G HA3 -0.243 3.719 3.960 0.002 0.000 0.235 317 G C -0.041 174.904 174.900 0.073 0.000 1.286 317 G CA 0.470 45.591 45.100 0.035 0.000 0.904 317 G HN 0.779 nan 8.290 nan 0.000 0.577 318 D N 0.474 120.913 120.400 0.066 0.000 2.348 318 D HA 0.018 4.659 4.640 0.002 0.000 0.216 318 D C 2.608 179.008 176.300 0.168 0.000 0.970 318 D CA 1.516 55.586 54.000 0.116 0.000 0.889 318 D CB -0.261 40.578 40.800 0.065 0.000 0.912 318 D HN 0.972 nan 8.370 nan 0.000 0.524 319 V N -2.115 117.864 119.914 0.109 0.000 3.510 319 V HA 0.056 4.177 4.120 0.002 0.000 0.270 319 V C 1.023 177.289 176.094 0.287 0.000 1.201 319 V CA 0.091 62.448 62.300 0.094 0.000 1.166 319 V CB -0.611 31.229 31.823 0.028 0.000 0.825 319 V HN -0.066 nan 8.190 nan 0.000 0.484 320 V N 0.674 120.783 119.914 0.325 0.000 3.184 320 V HA 0.589 4.710 4.120 0.002 0.000 0.308 320 V C 0.110 176.252 176.094 0.079 0.000 1.243 320 V CA -1.092 61.361 62.300 0.255 0.000 1.058 320 V CB 2.160 34.074 31.823 0.151 0.000 1.183 320 V HN 0.674 nan 8.190 nan 0.000 0.471 321 R N 1.510 121.966 120.500 -0.073 0.000 2.615 321 R HA 0.724 5.065 4.340 0.002 0.000 0.270 321 R C 0.039 176.266 176.300 -0.122 0.000 1.081 321 R CA 0.622 56.573 56.100 -0.249 0.000 1.154 321 R CB -0.036 30.141 30.300 -0.205 0.000 1.063 321 R HN 1.822 nan 8.270 nan 0.000 0.519 322 G N -0.760 107.952 108.800 -0.146 0.000 2.408 322 G HA2 0.286 4.248 3.960 0.002 0.000 0.682 322 G HA3 0.286 4.248 3.960 0.002 0.000 0.682 322 G C -1.258 173.622 174.900 -0.033 0.000 1.303 322 G CA -0.393 44.683 45.100 -0.040 0.000 0.966 322 G HN 0.851 nan 8.290 nan 0.000 0.560 323 A N 0.359 123.177 122.820 -0.003 0.000 2.454 323 A HA 0.601 4.922 4.320 0.002 0.000 0.260 323 A C 1.035 178.601 177.584 -0.030 0.000 1.106 323 A CA 0.176 52.202 52.037 -0.018 0.000 0.780 323 A CB -0.096 18.892 19.000 -0.019 0.000 1.044 323 A HN 0.796 nan 8.150 nan 0.000 0.498 324 M N 4.264 123.854 119.600 -0.016 0.000 3.042 324 M HA 0.221 4.703 4.480 0.002 0.000 0.283 324 M C -0.993 175.277 176.300 -0.049 0.000 1.473 324 M CA 0.846 56.142 55.300 -0.007 0.000 1.583 324 M CB -1.050 31.570 32.600 0.035 0.000 1.221 324 M HN 0.498 nan 8.290 nan 0.000 0.518 325 L N 0.080 121.233 121.223 -0.118 0.000 2.371 325 L HA 0.566 4.908 4.340 0.002 0.000 0.262 325 L C 1.039 177.778 176.870 -0.218 0.000 1.006 325 L CA -0.589 54.126 54.840 -0.210 0.000 0.818 325 L CB 1.890 43.673 42.059 -0.459 0.000 1.354 325 L HN 0.553 nan 8.230 nan 0.000 0.415 326 A N 0.480 123.219 122.820 -0.135 0.000 1.902 326 A HA -0.184 4.137 4.320 0.002 0.000 0.217 326 A C 1.944 179.491 177.584 -0.061 0.000 1.181 326 A CA 1.699 53.702 52.037 -0.057 0.000 0.623 326 A CB -0.793 18.226 19.000 0.032 0.000 0.818 326 A HN 0.927 nan 8.150 nan 0.000 0.443 327 H N -0.697 118.356 119.070 -0.028 0.000 2.457 327 H HA -0.021 4.536 4.556 0.002 0.000 0.294 327 H C 1.760 177.045 175.328 -0.072 0.000 1.064 327 H CA 1.373 57.391 56.048 -0.050 0.000 1.330 327 H CB -0.458 29.281 29.762 -0.037 0.000 1.395 327 H HN 0.538 nan 8.280 nan 0.000 0.541 328 K N 1.387 121.633 120.400 -0.256 0.000 2.062 328 K HA -0.017 4.305 4.320 0.002 0.000 0.205 328 K C 2.409 178.940 176.600 -0.116 0.000 1.051 328 K CA 0.997 57.178 56.287 -0.175 0.000 0.941 328 K CB -0.075 32.330 32.500 -0.158 0.000 0.719 328 K HN 0.246 nan 8.250 nan 0.000 0.440 329 A N 0.888 123.646 122.820 -0.104 0.000 1.858 329 A HA -0.145 4.176 4.320 0.002 0.000 0.216 329 A C 2.247 179.772 177.584 -0.098 0.000 1.190 329 A CA 2.111 54.103 52.037 -0.075 0.000 0.617 329 A CB -0.797 18.161 19.000 -0.070 0.000 0.827 329 A HN 0.361 nan 8.150 nan 0.000 0.443 330 S N -0.403 115.228 115.700 -0.116 0.000 2.365 330 S HA -0.173 4.298 4.470 0.002 0.000 0.225 330 S C 1.971 176.497 174.600 -0.123 0.000 1.039 330 S CA 1.473 59.587 58.200 -0.143 0.000 1.033 330 S CB -0.331 62.792 63.200 -0.127 0.000 0.887 330 S HN 0.568 nan 8.310 nan 0.000 0.447 331 E N 0.867 121.001 120.200 -0.110 0.000 2.150 331 E HA -0.108 4.244 4.350 0.002 0.000 0.193 331 E C 2.009 178.529 176.600 -0.134 0.000 0.985 331 E CA 0.823 57.148 56.400 -0.125 0.000 0.814 331 E CB -0.160 29.453 29.700 -0.146 0.000 0.752 331 E HN 0.613 nan 8.360 nan 0.000 0.466 332 E N -0.354 119.777 120.200 -0.115 0.000 2.107 332 E HA -0.073 4.278 4.350 0.002 0.000 0.191 332 E C 2.053 178.611 176.600 -0.070 0.000 0.982 332 E CA 0.683 57.038 56.400 -0.074 0.000 0.809 332 E CB -0.190 29.507 29.700 -0.005 0.000 0.756 332 E HN 0.246 nan 8.360 nan 0.000 0.459 333 G N 1.307 110.059 108.800 -0.081 0.000 2.586 333 G HA2 -0.322 3.639 3.960 0.002 0.000 0.218 333 G HA3 -0.322 3.639 3.960 0.002 0.000 0.218 333 G C 1.732 176.570 174.900 -0.102 0.000 1.216 333 G CA 1.236 46.282 45.100 -0.090 0.000 0.786 333 G HN 0.153 nan 8.290 nan 0.000 0.583 334 V N 0.075 119.926 119.914 -0.104 0.000 2.278 334 V HA -0.212 3.909 4.120 0.002 0.000 0.251 334 V C 2.981 179.014 176.094 -0.101 0.000 1.062 334 V CA 1.782 64.024 62.300 -0.096 0.000 1.038 334 V CB -0.624 31.144 31.823 -0.091 0.000 0.646 334 V HN 0.233 nan 8.190 nan 0.000 0.447 335 V N -0.788 119.061 119.914 -0.109 0.000 2.343 335 V HA -0.207 3.914 4.120 0.002 0.000 0.247 335 V C 2.356 178.371 176.094 -0.131 0.000 1.051 335 V CA 1.996 64.228 62.300 -0.113 0.000 1.036 335 V CB 0.108 31.857 31.823 -0.122 0.000 0.654 335 V HN 0.401 nan 8.190 nan 0.000 0.451 336 V N -0.011 119.809 119.914 -0.157 0.000 2.307 336 V HA -0.229 3.892 4.120 0.002 0.000 0.245 336 V C 2.666 178.571 176.094 -0.316 0.000 1.045 336 V CA 2.036 64.158 62.300 -0.297 0.000 1.024 336 V CB -0.949 30.706 31.823 -0.280 0.000 0.651 336 V HN 0.591 nan 8.190 nan 0.000 0.449 337 A N -0.692 122.006 122.820 -0.204 0.000 1.972 337 A HA -0.235 4.086 4.320 0.002 0.000 0.219 337 A C 2.146 179.653 177.584 -0.128 0.000 1.169 337 A CA 1.851 53.793 52.037 -0.158 0.000 0.635 337 A CB -0.399 18.543 19.000 -0.097 0.000 0.810 337 A HN 0.653 nan 8.150 nan 0.000 0.446 338 E N -0.259 119.875 120.200 -0.110 0.000 2.028 338 E HA -0.218 4.134 4.350 0.002 0.000 0.191 338 E C 2.242 178.792 176.600 -0.082 0.000 0.988 338 E CA 1.433 57.788 56.400 -0.075 0.000 0.799 338 E CB -0.270 29.396 29.700 -0.056 0.000 0.755 338 E HN 0.822 nan 8.360 nan 0.000 0.447 339 R N 0.854 121.296 120.500 -0.096 0.000 2.189 339 R HA -0.026 4.315 4.340 0.002 0.000 0.223 339 R C 2.198 178.346 176.300 -0.253 0.000 1.092 339 R CA 0.849 56.891 56.100 -0.096 0.000 0.989 339 R CB -0.518 29.810 30.300 0.047 0.000 0.876 339 R HN 0.155 nan 8.270 nan 0.000 0.457 340 I N 1.778 122.197 120.570 -0.250 0.000 2.090 340 I HA -0.200 3.972 4.170 0.002 0.000 0.236 340 I C 2.433 178.462 176.117 -0.147 0.000 1.064 340 I CA 1.523 62.704 61.300 -0.198 0.000 1.324 340 I CB -0.470 37.424 38.000 -0.177 0.000 1.044 340 I HN 0.318 nan 8.210 nan 0.000 0.399 341 A N 0.100 122.859 122.820 -0.101 0.000 2.239 341 A HA 0.220 4.542 4.320 0.002 0.000 0.209 341 A C 1.416 178.978 177.584 -0.037 0.000 1.171 341 A CA 1.192 53.196 52.037 -0.055 0.000 0.768 341 A CB -0.511 18.470 19.000 -0.032 0.000 0.790 341 A HN 0.647 nan 8.150 nan 0.000 0.478 342 G N -1.737 107.030 108.800 -0.056 0.000 3.829 342 G HA2 0.210 4.171 3.960 0.002 0.000 0.226 342 G HA3 0.210 4.171 3.960 0.002 0.000 0.226 342 G C -0.008 175.000 174.900 0.179 0.000 1.243 342 G CA 0.017 45.149 45.100 0.053 0.000 1.211 342 G HN 0.567 nan 8.290 nan 0.000 0.641 343 H N -0.316 118.775 119.070 0.035 0.000 2.740 343 H HA -0.175 4.383 4.556 0.003 0.000 0.306 343 H C 1.135 176.485 175.328 0.037 0.000 1.096 343 H CA 1.372 57.451 56.048 0.053 0.000 1.155 343 H CB -0.444 29.364 29.762 0.077 0.000 1.367 343 H HN 0.341 nan 8.280 nan 0.000 0.387 344 K N 0.543 121.010 120.400 0.112 0.000 2.758 344 K HA 0.660 4.981 4.320 0.002 0.000 0.250 344 K C 0.022 176.633 176.600 0.019 0.000 1.268 344 K CA 0.611 56.933 56.287 0.059 0.000 1.228 344 K CB 0.424 32.948 32.500 0.041 0.000 1.715 344 K HN 0.465 nan 8.250 nan 0.000 0.334 345 A N 0.770 123.598 122.820 0.013 0.000 2.597 345 A HA 0.553 4.875 4.320 0.002 0.000 0.292 345 A C -1.590 175.936 177.584 -0.098 0.000 1.057 345 A CA -0.674 51.337 52.037 -0.043 0.000 0.674 345 A CB 1.635 20.598 19.000 -0.062 0.000 1.278 345 A HN 0.313 nan 8.150 nan 0.000 0.416 346 Q N 0.180 119.895 119.800 -0.143 0.000 2.438 346 Q HA 0.624 4.965 4.340 0.002 0.000 0.272 346 Q C -1.421 174.472 176.000 -0.179 0.000 0.994 346 Q CA -0.504 55.160 55.803 -0.231 0.000 0.887 346 Q CB 2.019 30.642 28.738 -0.191 0.000 1.432 346 Q HN 1.108 nan 8.270 nan 0.000 0.392 347 M N 0.805 120.291 119.600 -0.190 0.000 2.664 347 M HA 0.645 5.127 4.480 0.002 0.000 0.314 347 M C -1.096 175.103 176.300 -0.168 0.000 1.200 347 M CA -0.902 54.267 55.300 -0.218 0.000 0.916 347 M CB 1.846 34.233 32.600 -0.356 0.000 1.717 347 M HN 0.416 nan 8.290 nan 0.000 0.470 348 N N 1.000 119.595 118.700 -0.174 0.000 2.457 348 N HA 0.298 5.040 4.740 0.002 0.000 0.250 348 N C -1.207 174.248 175.510 -0.093 0.000 0.982 348 N CA -0.258 52.751 53.050 -0.069 0.000 0.941 348 N CB 0.334 38.783 38.487 -0.064 0.000 1.120 348 N HN 0.717 nan 8.380 nan 0.000 0.505 349 Y N 0.660 120.937 120.300 -0.039 0.000 2.471 349 Y HA 0.156 4.707 4.550 0.002 0.000 0.286 349 Y C 0.851 176.738 175.900 -0.021 0.000 1.188 349 Y CA 0.127 58.210 58.100 -0.029 0.000 1.286 349 Y CB 0.506 38.950 38.460 -0.027 0.000 1.072 349 Y HN 0.528 nan 8.280 nan 0.000 0.517 350 D N -0.363 120.096 120.400 0.098 0.000 2.349 350 D HA 0.149 4.790 4.640 0.002 0.000 0.214 350 D C 0.081 176.398 176.300 0.028 0.000 1.063 350 D CA 0.553 54.589 54.000 0.060 0.000 0.847 350 D CB 0.797 41.624 40.800 0.044 0.000 0.933 350 D HN 0.261 nan 8.370 nan 0.000 0.513 351 L N 1.820 123.047 121.223 0.007 0.000 2.470 351 L HA 0.408 4.749 4.340 0.002 0.000 0.253 351 L C -0.927 175.937 176.870 -0.012 0.000 1.163 351 L CA -0.089 54.743 54.840 -0.013 0.000 0.932 351 L CB 1.246 43.283 42.059 -0.037 0.000 1.213 351 L HN -0.277 nan 8.230 nan 0.000 0.485 352 I N 2.517 123.098 120.570 0.018 0.000 2.468 352 I HA 0.390 4.561 4.170 0.002 0.000 0.285 352 I C -2.260 173.909 176.117 0.086 0.000 1.039 352 I CA -1.679 59.659 61.300 0.063 0.000 1.074 352 I CB 2.431 40.457 38.000 0.044 0.000 1.228 352 I HN 0.210 nan 8.210 nan 0.000 0.436 353 P HA 0.468 nan 4.420 nan 0.000 0.274 353 P C -1.077 176.294 177.300 0.118 0.000 1.237 353 P CA -0.408 62.704 63.100 0.021 0.000 0.793 353 P CB 1.022 32.674 31.700 -0.080 0.000 0.977 354 A N 0.957 123.807 122.820 0.049 0.000 2.488 354 A HA 0.650 4.972 4.320 0.002 0.000 0.298 354 A C -1.419 176.146 177.584 -0.032 0.000 1.044 354 A CA -0.488 51.592 52.037 0.071 0.000 0.693 354 A CB 1.203 20.235 19.000 0.053 0.000 1.272 354 A HN 0.279 nan 8.150 nan 0.000 0.402 355 V N 2.807 122.674 119.914 -0.078 0.000 2.841 355 V HA 0.526 4.648 4.120 0.002 0.000 0.310 355 V C -0.639 175.286 176.094 -0.282 0.000 1.090 355 V CA -0.345 61.785 62.300 -0.282 0.000 0.930 355 V CB 1.976 33.450 31.823 -0.581 0.000 1.014 355 V HN 0.780 nan 8.190 nan 0.000 0.425 356 I N 3.431 123.841 120.570 -0.267 0.000 2.378 356 I HA 0.372 4.543 4.170 0.002 0.000 0.291 356 I C -0.823 175.162 176.117 -0.221 0.000 0.992 356 I CA -0.519 60.707 61.300 -0.123 0.000 1.154 356 I CB 1.620 39.578 38.000 -0.071 0.000 1.315 356 I HN 0.615 nan 8.210 nan 0.000 0.448 357 Y N 4.322 124.608 120.300 -0.024 0.000 2.881 357 Y HA 0.091 4.643 4.550 0.003 0.000 0.369 357 Y C 1.499 177.383 175.900 -0.027 0.000 1.066 357 Y CA -0.589 57.490 58.100 -0.034 0.000 1.616 357 Y CB -0.581 37.861 38.460 -0.029 0.000 1.436 357 Y HN 0.570 nan 8.280 nan 0.000 0.505 358 T N -3.941 110.637 114.554 0.040 0.000 3.051 358 T HA 0.020 4.372 4.350 0.002 0.000 0.356 358 T C 1.199 175.933 174.700 0.056 0.000 1.204 358 T CA 0.148 62.283 62.100 0.057 0.000 0.990 358 T CB 0.134 68.971 68.868 -0.051 0.000 1.628 358 T HN 0.585 nan 8.240 nan 0.000 0.550 359 H N 0.299 119.361 119.070 -0.013 0.000 2.372 359 H HA 0.245 4.802 4.556 0.003 0.000 0.301 359 H C -1.672 173.602 175.328 -0.092 0.000 1.065 359 H CA -0.611 55.415 56.048 -0.037 0.000 1.364 359 H CB -1.840 27.991 29.762 0.116 0.000 1.406 359 H HN 0.341 nan 8.280 nan 0.000 0.521 360 P HA 0.079 nan 4.420 nan 0.000 0.279 360 P C -0.386 176.830 177.300 -0.140 0.000 1.239 360 P CA -0.167 62.861 63.100 -0.121 0.000 0.789 360 P CB 1.367 33.002 31.700 -0.109 0.000 0.933 361 E N 2.227 122.340 120.200 -0.145 0.000 2.349 361 E HA 0.363 4.714 4.350 0.002 0.000 0.265 361 E C -0.797 175.709 176.600 -0.157 0.000 1.064 361 E CA -0.461 55.846 56.400 -0.155 0.000 0.886 361 E CB 0.485 30.085 29.700 -0.167 0.000 1.036 361 E HN 0.333 nan 8.360 nan 0.000 0.413 362 I N 3.099 123.566 120.570 -0.172 0.000 2.439 362 I HA 0.487 4.658 4.170 0.002 0.000 0.283 362 I C -0.522 175.510 176.117 -0.141 0.000 1.023 362 I CA -0.576 60.642 61.300 -0.137 0.000 1.100 362 I CB 1.457 39.389 38.000 -0.114 0.000 1.238 362 I HN 0.484 nan 8.210 nan 0.000 0.445 363 A N 4.429 127.188 122.820 -0.101 0.000 2.479 363 A HA 1.031 5.352 4.320 0.002 0.000 0.296 363 A C -0.449 177.120 177.584 -0.025 0.000 1.121 363 A CA -0.686 51.297 52.037 -0.090 0.000 0.743 363 A CB 2.108 21.038 19.000 -0.117 0.000 1.323 363 A HN 0.780 nan 8.150 nan 0.000 0.415 364 G N -1.320 107.462 108.800 -0.030 0.000 2.673 364 G HA2 0.658 4.619 3.960 0.002 0.000 0.292 364 G HA3 0.658 4.619 3.960 0.002 0.000 0.292 364 G C -1.984 172.840 174.900 -0.127 0.000 1.450 364 G CA -0.090 44.969 45.100 -0.069 0.000 0.837 364 G HN 1.693 nan 8.290 nan 0.000 0.505 365 V N 0.046 119.788 119.914 -0.287 0.000 3.120 365 V HA 0.895 5.017 4.120 0.002 0.000 0.303 365 V C 0.714 176.711 176.094 -0.162 0.000 1.238 365 V CA 1.363 63.572 62.300 -0.151 0.000 1.008 365 V CB 1.600 33.355 31.823 -0.114 0.000 1.064 365 V HN 2.814 nan 8.190 nan 0.000 0.434 366 G N 4.624 113.401 108.800 -0.039 0.000 2.584 366 G HA2 -0.116 3.846 3.960 0.002 0.000 0.229 366 G HA3 -0.116 3.846 3.960 0.002 0.000 0.229 366 G C -0.746 174.206 174.900 0.087 0.000 1.320 366 G CA -0.115 44.990 45.100 0.009 0.000 0.891 366 G HN 0.835 nan 8.290 nan 0.000 0.573 367 K N 0.675 121.141 120.400 0.110 0.000 2.249 367 K HA 0.494 4.815 4.320 0.002 0.000 0.280 367 K C 0.746 177.472 176.600 0.211 0.000 1.033 367 K CA -0.182 56.181 56.287 0.126 0.000 0.946 367 K CB 1.183 33.730 32.500 0.078 0.000 1.005 367 K HN 0.608 nan 8.250 nan 0.000 0.469 368 T N 1.364 115.988 114.554 0.117 0.000 2.856 368 T HA -0.030 4.321 4.350 0.002 0.000 0.306 368 T C 1.516 176.188 174.700 -0.046 0.000 1.062 368 T CA 0.039 62.100 62.100 -0.064 0.000 1.083 368 T CB 0.602 69.438 68.868 -0.054 0.000 0.984 368 T HN 0.570 nan 8.240 nan 0.000 0.542 369 E N 0.837 120.981 120.200 -0.093 0.000 2.107 369 E HA -0.146 4.206 4.350 0.002 0.000 0.191 369 E C 2.231 178.816 176.600 -0.025 0.000 0.982 369 E CA 0.780 57.157 56.400 -0.038 0.000 0.809 369 E CB 0.035 29.708 29.700 -0.045 0.000 0.756 369 E HN 0.703 nan 8.360 nan 0.000 0.459 370 Q N 0.248 120.028 119.800 -0.032 0.000 2.119 370 Q HA -0.124 4.218 4.340 0.002 0.000 0.201 370 Q C 1.949 177.944 176.000 -0.009 0.000 0.972 370 Q CA 1.456 57.249 55.803 -0.017 0.000 0.847 370 Q CB -0.328 28.400 28.738 -0.017 0.000 0.903 370 Q HN 0.218 nan 8.270 nan 0.000 0.433 371 A N 1.591 124.407 122.820 -0.007 0.000 1.930 371 A HA -0.035 4.287 4.320 0.002 0.000 0.217 371 A C 2.350 179.938 177.584 0.007 0.000 1.175 371 A CA 1.082 53.120 52.037 0.002 0.000 0.627 371 A CB -0.629 18.376 19.000 0.008 0.000 0.815 371 A HN 0.333 nan 8.150 nan 0.000 0.443 372 L N -0.554 120.674 121.223 0.009 0.000 2.017 372 L HA -0.176 4.165 4.340 0.002 0.000 0.208 372 L C 2.667 179.541 176.870 0.006 0.000 1.073 372 L CA 1.720 56.567 54.840 0.012 0.000 0.745 372 L CB -0.406 41.663 42.059 0.017 0.000 0.894 372 L HN 0.306 nan 8.230 nan 0.000 0.432 373 K N 0.577 120.979 120.400 0.002 0.000 2.097 373 K HA -0.143 4.178 4.320 0.002 0.000 0.205 373 K C 2.032 178.633 176.600 0.001 0.000 1.050 373 K CA 1.447 57.735 56.287 0.001 0.000 0.938 373 K CB -0.038 32.460 32.500 -0.002 0.000 0.718 373 K HN 0.286 nan 8.250 nan 0.000 0.442 374 A N 1.755 124.576 122.820 0.001 0.000 1.969 374 A HA -0.154 4.167 4.320 0.002 0.000 0.218 374 A C 1.269 178.855 177.584 0.003 0.000 1.169 374 A CA 1.494 53.532 52.037 0.002 0.000 0.635 374 A CB -0.306 18.695 19.000 0.001 0.000 0.810 374 A HN 0.580 nan 8.150 nan 0.000 0.445 375 E N -1.026 119.177 120.200 0.004 0.000 2.405 375 E HA 0.425 4.776 4.350 0.002 0.000 0.214 375 E C 0.806 177.409 176.600 0.005 0.000 1.101 375 E CA 0.070 56.473 56.400 0.004 0.000 1.254 375 E CB -0.689 29.014 29.700 0.006 0.000 1.240 375 E HN 0.534 nan 8.360 nan 0.000 0.439 376 G N 0.864 109.667 108.800 0.004 0.000 2.216 376 G HA2 -0.391 3.571 3.960 0.002 0.000 0.269 376 G HA3 -0.391 3.571 3.960 0.002 0.000 0.269 376 G C 0.478 175.381 174.900 0.004 0.000 0.981 376 G CA 0.618 45.720 45.100 0.004 0.000 0.658 376 G HN 0.692 nan 8.290 nan 0.000 0.539 377 V N -0.053 119.865 119.914 0.006 0.000 2.715 377 V HA 0.712 4.834 4.120 0.002 0.000 0.299 377 V C 0.686 176.784 176.094 0.006 0.000 1.054 377 V CA 0.131 62.435 62.300 0.007 0.000 1.077 377 V CB 1.196 33.026 31.823 0.011 0.000 0.972 377 V HN 1.659 nan 8.190 nan 0.000 0.484 378 A N 7.796 130.619 122.820 0.006 0.000 2.320 378 A HA 0.749 5.071 4.320 0.002 0.000 0.287 378 A C -0.125 177.463 177.584 0.005 0.000 1.181 378 A CA -0.372 51.667 52.037 0.004 0.000 0.831 378 A CB -0.163 18.840 19.000 0.003 0.000 1.102 378 A HN 1.529 nan 8.150 nan 0.000 0.513 379 I N -0.590 119.982 120.570 0.004 0.000 3.074 379 I HA 0.652 4.823 4.170 0.002 0.000 0.310 379 I C -0.797 175.320 176.117 -0.001 0.000 1.153 379 I CA -1.169 60.134 61.300 0.005 0.000 0.993 379 I CB 2.526 40.532 38.000 0.010 0.000 1.237 379 I HN 0.558 nan 8.210 nan 0.000 0.443 380 N N 1.381 120.080 118.700 -0.002 0.000 2.225 380 N HA 0.706 5.448 4.740 0.002 0.000 0.298 380 N C -1.652 173.852 175.510 -0.010 0.000 1.076 380 N CA -0.691 52.352 53.050 -0.012 0.000 0.792 380 N CB 3.025 41.502 38.487 -0.017 0.000 1.498 380 N HN 0.364 nan 8.380 nan 0.000 0.474 381 V N 0.824 120.727 119.914 -0.019 0.000 2.588 381 V HA 0.697 4.818 4.120 0.002 0.000 0.304 381 V C 0.060 176.135 176.094 -0.031 0.000 1.042 381 V CA -0.636 61.655 62.300 -0.015 0.000 0.877 381 V CB 1.777 33.589 31.823 -0.018 0.000 0.996 381 V HN 0.785 nan 8.190 nan 0.000 0.425 382 G N 3.403 112.188 108.800 -0.025 0.000 2.368 382 G HA2 0.612 4.574 3.960 0.002 0.000 0.320 382 G HA3 0.612 4.574 3.960 0.002 0.000 0.320 382 G C -1.171 173.722 174.900 -0.012 0.000 1.158 382 G CA -0.373 44.706 45.100 -0.035 0.000 0.912 382 G HN 0.527 nan 8.290 nan 0.000 0.456 383 V N 2.605 122.503 119.914 -0.025 0.000 2.555 383 V HA 0.655 4.776 4.120 0.002 0.000 0.302 383 V C -1.133 174.987 176.094 0.044 0.000 1.038 383 V CA -0.720 61.559 62.300 -0.035 0.000 0.887 383 V CB 1.684 33.381 31.823 -0.211 0.000 0.991 383 V HN 0.668 nan 8.190 nan 0.000 0.434 384 F N 7.513 127.414 119.950 -0.082 0.000 2.557 384 F HA 0.698 5.227 4.527 0.002 0.000 0.316 384 F C -2.583 173.143 175.800 -0.123 0.000 1.141 384 F CA -2.155 55.777 58.000 -0.113 0.000 0.922 384 F CB 2.783 41.692 39.000 -0.152 0.000 1.194 384 F HN 0.318 nan 8.300 nan 0.000 0.443 385 P HA 0.160 nan 4.420 nan 0.000 0.282 385 P C 0.166 177.200 177.300 -0.443 0.000 1.249 385 P CA -0.086 62.799 63.100 -0.359 0.000 0.806 385 P CB 1.160 32.705 31.700 -0.259 0.000 0.984 386 F N 1.397 121.331 119.950 -0.026 0.000 2.558 386 F HA 0.029 4.557 4.527 0.003 0.000 0.298 386 F C 2.554 178.347 175.800 -0.011 0.000 1.119 386 F CA 1.104 59.117 58.000 0.023 0.000 1.451 386 F CB -1.059 37.969 39.000 0.048 0.000 1.091 386 F HN 0.346 nan 8.300 nan 0.000 0.563 387 A N -0.122 122.753 122.820 0.091 0.000 2.024 387 A HA -0.021 4.300 4.320 0.002 0.000 0.220 387 A C 2.202 179.775 177.584 -0.018 0.000 1.164 387 A CA 1.703 53.760 52.037 0.033 0.000 0.643 387 A CB -0.862 18.136 19.000 -0.004 0.000 0.806 387 A HN 0.247 nan 8.150 nan 0.000 0.451 388 A N -0.828 121.911 122.820 -0.135 0.000 2.348 388 A HA 0.447 4.768 4.320 0.002 0.000 0.224 388 A C 1.086 178.724 177.584 0.091 0.000 1.227 388 A CA 0.655 52.635 52.037 -0.094 0.000 0.885 388 A CB -0.312 18.499 19.000 -0.315 0.000 0.933 388 A HN 0.535 nan 8.150 nan 0.000 0.506 389 S N -0.469 115.319 115.700 0.147 0.000 2.513 389 S HA 0.450 4.922 4.470 0.002 0.000 0.276 389 S C 1.429 176.138 174.600 0.182 0.000 1.254 389 S CA 0.108 58.460 58.200 0.254 0.000 1.053 389 S CB 1.253 64.678 63.200 0.375 0.000 0.958 389 S HN 0.473 nan 8.310 nan 0.000 0.491 390 G N 4.280 113.176 108.800 0.160 0.000 2.421 390 G HA2 -0.213 3.748 3.960 0.002 0.000 0.216 390 G HA3 -0.213 3.748 3.960 0.002 0.000 0.216 390 G C 1.492 176.456 174.900 0.106 0.000 1.171 390 G CA 0.734 45.912 45.100 0.131 0.000 0.775 390 G HN 0.682 nan 8.290 nan 0.000 0.543 391 R N 0.957 121.533 120.500 0.126 0.000 2.066 391 R HA 0.175 4.516 4.340 0.002 0.000 0.232 391 R C 2.882 179.244 176.300 0.103 0.000 1.131 391 R CA 1.670 57.830 56.100 0.100 0.000 0.955 391 R CB -1.012 29.360 30.300 0.119 0.000 0.851 391 R HN 0.240 nan 8.270 nan 0.000 0.432 392 A N 0.318 123.225 122.820 0.146 0.000 1.892 392 A HA -0.260 4.061 4.320 0.002 0.000 0.218 392 A C 2.229 179.866 177.584 0.089 0.000 1.188 392 A CA 2.064 54.170 52.037 0.116 0.000 0.631 392 A CB -0.652 18.478 19.000 0.217 0.000 0.822 392 A HN 0.456 nan 8.150 nan 0.000 0.447 393 M N -0.118 119.539 119.600 0.095 0.000 2.065 393 M HA -0.145 4.336 4.480 0.002 0.000 0.259 393 M C 2.232 178.562 176.300 0.050 0.000 1.069 393 M CA 2.048 57.388 55.300 0.067 0.000 1.110 393 M CB -0.401 32.240 32.600 0.069 0.000 1.328 393 M HN 0.409 nan 8.290 nan 0.000 0.405 394 A N -0.571 122.280 122.820 0.051 0.000 1.972 394 A HA -0.003 4.318 4.320 0.002 0.000 0.219 394 A C 2.223 179.848 177.584 0.069 0.000 1.169 394 A CA 1.911 53.976 52.037 0.046 0.000 0.635 394 A CB -1.229 17.793 19.000 0.037 0.000 0.810 394 A HN 0.645 nan 8.150 nan 0.000 0.446 395 A N -1.444 121.419 122.820 0.071 0.000 2.123 395 A HA 0.157 4.479 4.320 0.002 0.000 0.214 395 A C 0.934 178.589 177.584 0.117 0.000 1.152 395 A CA 0.920 53.010 52.037 0.088 0.000 0.728 395 A CB -0.667 18.367 19.000 0.055 0.000 0.814 395 A HN 0.874 nan 8.150 nan 0.000 0.464 396 N N -1.070 117.684 118.700 0.089 0.000 2.746 396 N HA -0.182 4.559 4.740 0.002 0.000 0.250 396 N C -1.156 174.404 175.510 0.083 0.000 1.055 396 N CA 0.730 53.829 53.050 0.081 0.000 0.699 396 N CB -0.787 37.767 38.487 0.111 0.000 0.919 396 N HN 0.304 nan 8.380 nan 0.000 0.548 397 D N -0.409 120.023 120.400 0.054 0.000 2.714 397 D HA 0.197 4.838 4.640 0.002 0.000 0.264 397 D C 0.639 176.932 176.300 -0.012 0.000 1.231 397 D CA 0.146 54.156 54.000 0.017 0.000 0.802 397 D CB 0.319 41.108 40.800 -0.020 0.000 1.319 397 D HN 0.335 nan 8.370 nan 0.000 0.528 398 T N -1.729 112.849 114.554 0.040 0.000 3.092 398 T HA 0.561 4.913 4.350 0.002 0.000 0.258 398 T C 0.810 175.591 174.700 0.135 0.000 1.031 398 T CA -0.233 61.925 62.100 0.096 0.000 0.925 398 T CB 0.420 69.348 68.868 0.101 0.000 1.036 398 T HN 0.222 nan 8.240 nan 0.000 0.544 399 A N 0.554 123.421 122.820 0.078 0.000 2.354 399 A HA 0.799 5.121 4.320 0.002 0.000 0.269 399 A C 1.084 178.759 177.584 0.152 0.000 1.109 399 A CA 0.199 52.296 52.037 0.101 0.000 0.800 399 A CB -0.360 18.677 19.000 0.062 0.000 1.045 399 A HN 1.506 nan 8.150 nan 0.000 0.489 400 G N -0.141 108.769 108.800 0.183 0.000 2.582 400 G HA2 0.380 4.341 3.960 0.002 0.000 0.222 400 G HA3 0.380 4.341 3.960 0.002 0.000 0.222 400 G C -0.515 174.583 174.900 0.329 0.000 1.311 400 G CA 0.045 45.248 45.100 0.171 0.000 0.915 400 G HN 2.364 nan 8.290 nan 0.000 0.528 401 F N -3.550 116.535 119.950 0.225 0.000 2.831 401 F HA 0.842 5.370 4.527 0.002 0.000 0.318 401 F C -0.756 175.043 175.800 -0.003 0.000 1.174 401 F CA -1.373 56.616 58.000 -0.017 0.000 0.918 401 F CB 1.091 40.070 39.000 -0.036 0.000 1.364 401 F HN 0.826 nan 8.300 nan 0.000 0.475 402 V N 1.375 121.437 119.914 0.247 0.000 2.588 402 V HA 0.533 4.654 4.120 0.002 0.000 0.304 402 V C -1.019 175.256 176.094 0.302 0.000 1.042 402 V CA -0.878 61.536 62.300 0.191 0.000 0.877 402 V CB 1.862 33.711 31.823 0.043 0.000 0.996 402 V HN 0.808 nan 8.190 nan 0.000 0.425 403 K N 3.738 124.313 120.400 0.292 0.000 2.545 403 K HA 0.688 5.010 4.320 0.002 0.000 0.252 403 K C -1.874 174.827 176.600 0.167 0.000 0.948 403 K CA -0.424 56.004 56.287 0.234 0.000 0.827 403 K CB 2.109 34.807 32.500 0.331 0.000 1.128 403 K HN 0.474 nan 8.250 nan 0.000 0.429 404 V N 6.531 126.501 119.914 0.094 0.000 2.370 404 V HA 0.407 4.528 4.120 0.002 0.000 0.283 404 V C -0.095 176.036 176.094 0.062 0.000 1.023 404 V CA -0.701 61.639 62.300 0.068 0.000 0.857 404 V CB 1.321 33.157 31.823 0.022 0.000 0.985 404 V HN 0.666 nan 8.190 nan 0.000 0.443 405 I N 4.876 125.498 120.570 0.085 0.000 2.330 405 I HA 0.724 4.896 4.170 0.002 0.000 0.289 405 I C 0.320 176.465 176.117 0.048 0.000 1.001 405 I CA -0.258 61.085 61.300 0.071 0.000 1.193 405 I CB 1.530 39.596 38.000 0.111 0.000 1.345 405 I HN 0.653 nan 8.210 nan 0.000 0.461 406 A N 5.211 128.047 122.820 0.027 0.000 2.380 406 A HA 0.402 4.723 4.320 0.002 0.000 0.315 406 A C -0.740 176.854 177.584 0.016 0.000 1.101 406 A CA -0.666 51.383 52.037 0.020 0.000 0.771 406 A CB 1.412 20.416 19.000 0.007 0.000 1.287 406 A HN 0.697 nan 8.150 nan 0.000 0.436 407 D N 1.689 122.099 120.400 0.017 0.000 2.383 407 D HA 0.292 4.933 4.640 0.002 0.000 0.252 407 D C 1.335 177.641 176.300 0.009 0.000 1.166 407 D CA 0.644 54.652 54.000 0.014 0.000 0.879 407 D CB 1.466 42.275 40.800 0.016 0.000 1.164 407 D HN 0.524 nan 8.370 nan 0.000 0.462 408 A N 5.381 128.205 122.820 0.007 0.000 2.019 408 A HA -0.165 4.156 4.320 0.002 0.000 0.219 408 A C 2.026 179.613 177.584 0.005 0.000 1.164 408 A CA 1.076 53.115 52.037 0.004 0.000 0.644 408 A CB -0.026 18.975 19.000 0.002 0.000 0.805 408 A HN 0.466 nan 8.150 nan 0.000 0.449 409 K N -0.776 119.629 120.400 0.007 0.000 2.098 409 K HA -0.036 4.286 4.320 0.002 0.000 0.203 409 K C 1.911 178.517 176.600 0.010 0.000 1.051 409 K CA 1.819 58.111 56.287 0.008 0.000 0.957 409 K CB -0.315 32.190 32.500 0.008 0.000 0.738 409 K HN 0.662 nan 8.250 nan 0.000 0.447 410 T N -2.962 111.599 114.554 0.012 0.000 3.010 410 T HA 0.082 4.434 4.350 0.002 0.000 0.257 410 T C 0.340 175.049 174.700 0.015 0.000 1.020 410 T CA 0.501 62.610 62.100 0.014 0.000 0.938 410 T CB 0.291 69.168 68.868 0.016 0.000 1.049 410 T HN 0.145 nan 8.240 nan 0.000 0.522 411 D N 0.692 121.100 120.400 0.013 0.000 3.079 411 D HA -0.194 4.448 4.640 0.002 0.000 0.214 411 D C 0.219 176.529 176.300 0.017 0.000 1.145 411 D CA 0.706 54.713 54.000 0.012 0.000 0.958 411 D CB -1.023 39.784 40.800 0.012 0.000 1.117 411 D HN 0.656 nan 8.370 nan 0.000 0.416 412 R N -0.090 120.422 120.500 0.020 0.000 2.539 412 R HA 0.423 4.764 4.340 0.002 0.000 0.275 412 R C -0.453 175.862 176.300 0.025 0.000 1.077 412 R CA -0.441 55.674 56.100 0.025 0.000 1.097 412 R CB 0.836 31.151 30.300 0.025 0.000 1.018 412 R HN -0.013 nan 8.270 nan 0.000 0.483 413 V N 6.730 126.661 119.914 0.029 0.000 2.432 413 V HA 0.074 4.196 4.120 0.002 0.000 0.271 413 V C 1.277 177.388 176.094 0.028 0.000 1.046 413 V CA -0.114 62.203 62.300 0.029 0.000 0.945 413 V CB 1.353 33.195 31.823 0.032 0.000 0.992 413 V HN 0.830 nan 8.190 nan 0.000 0.471 414 L N 3.693 124.936 121.223 0.033 0.000 2.130 414 L HA 0.402 4.744 4.340 0.002 0.000 0.200 414 L C 1.151 178.046 176.870 0.043 0.000 1.075 414 L CA 1.045 55.909 54.840 0.040 0.000 0.768 414 L CB -0.021 42.069 42.059 0.050 0.000 0.933 414 L HN 0.771 nan 8.230 nan 0.000 0.451 415 G N -0.707 108.127 108.800 0.057 0.000 2.667 415 G HA2 0.549 4.510 3.960 0.002 0.000 0.298 415 G HA3 0.549 4.510 3.960 0.002 0.000 0.298 415 G C -1.817 173.034 174.900 -0.082 0.000 1.377 415 G CA -0.239 44.863 45.100 0.004 0.000 0.964 415 G HN -0.227 nan 8.290 nan 0.000 0.493 416 V N 1.511 121.246 119.914 -0.299 0.000 2.495 416 V HA 0.629 4.750 4.120 0.002 0.000 0.298 416 V C -0.795 175.032 176.094 -0.444 0.000 1.031 416 V CA -0.725 61.461 62.300 -0.190 0.000 0.871 416 V CB 1.583 33.349 31.823 -0.094 0.000 0.988 416 V HN 0.868 nan 8.190 nan 0.000 0.432 417 H N 2.026 121.131 119.070 0.060 0.000 2.894 417 H HA 0.793 5.350 4.556 0.002 0.000 0.367 417 H C -0.928 174.427 175.328 0.045 0.000 1.144 417 H CA -0.665 55.410 56.048 0.045 0.000 1.180 417 H CB 2.228 32.026 29.762 0.060 0.000 1.758 417 H HN 0.594 nan 8.280 nan 0.000 0.541 418 V N 3.207 123.168 119.914 0.079 0.000 2.817 418 V HA 0.491 4.613 4.120 0.002 0.000 0.303 418 V C -1.418 174.628 176.094 -0.080 0.000 1.151 418 V CA -0.742 61.567 62.300 0.015 0.000 0.929 418 V CB 1.486 33.381 31.823 0.121 0.000 1.030 418 V HN 0.813 nan 8.190 nan 0.000 0.427 419 I N 6.906 127.333 120.570 -0.238 0.000 2.321 419 I HA 0.981 5.153 4.170 0.002 0.000 0.291 419 I C 0.254 176.326 176.117 -0.076 0.000 0.998 419 I CA 1.141 62.316 61.300 -0.208 0.000 1.227 419 I CB 0.884 38.687 38.000 -0.327 0.000 1.368 419 I HN 1.350 nan 8.210 nan 0.000 0.466 420 G N 6.262 115.015 108.800 -0.078 0.000 2.341 420 G HA2 0.162 4.124 3.960 0.002 0.000 0.293 420 G HA3 0.162 4.124 3.960 0.002 0.000 0.293 420 G C -3.313 171.364 174.900 -0.372 0.000 1.298 420 G CA -0.900 44.078 45.100 -0.202 0.000 0.868 420 G HN 0.417 nan 8.290 nan 0.000 0.540 421 P HA 0.266 nan 4.420 nan 0.000 0.264 421 P C 0.340 177.478 177.300 -0.270 0.000 1.193 421 P CA 1.169 64.013 63.100 -0.427 0.000 0.763 421 P CB 1.032 32.455 31.700 -0.462 0.000 0.810 422 S N 1.112 116.725 115.700 -0.145 0.000 3.587 422 S HA -0.243 4.228 4.470 0.002 0.000 0.337 422 S C 1.495 176.076 174.600 -0.032 0.000 1.119 422 S CA 0.736 58.897 58.200 -0.064 0.000 0.976 422 S CB -1.628 61.557 63.200 -0.025 0.000 0.922 422 S HN 0.783 nan 8.310 nan 0.000 0.503 423 A N 0.996 123.779 122.820 -0.062 0.000 1.892 423 A HA 0.012 4.333 4.320 0.002 0.000 0.218 423 A C 2.440 179.996 177.584 -0.047 0.000 1.188 423 A CA 2.383 54.401 52.037 -0.032 0.000 0.631 423 A CB -1.228 17.721 19.000 -0.084 0.000 0.822 423 A HN 1.426 nan 8.150 nan 0.000 0.447 424 A N -0.966 121.795 122.820 -0.099 0.000 1.978 424 A HA -0.151 4.171 4.320 0.002 0.000 0.220 424 A C 1.935 179.489 177.584 -0.050 0.000 1.170 424 A CA 2.147 54.120 52.037 -0.106 0.000 0.636 424 A CB -0.409 18.512 19.000 -0.131 0.000 0.810 424 A HN 0.518 nan 8.150 nan 0.000 0.448 425 E N -0.694 119.495 120.200 -0.018 0.000 2.112 425 E HA 0.045 4.397 4.350 0.002 0.000 0.190 425 E C 1.828 178.444 176.600 0.027 0.000 0.979 425 E CA 0.467 56.869 56.400 0.004 0.000 0.814 425 E CB -0.250 29.460 29.700 0.017 0.000 0.762 425 E HN 0.517 nan 8.360 nan 0.000 0.460 426 L N -0.443 120.811 121.223 0.052 0.000 2.141 426 L HA -0.128 4.214 4.340 0.002 0.000 0.209 426 L C 2.059 178.962 176.870 0.055 0.000 1.094 426 L CA 0.735 55.629 54.840 0.090 0.000 0.763 426 L CB -0.064 42.085 42.059 0.150 0.000 0.908 426 L HN 0.061 nan 8.230 nan 0.000 0.437 427 V N -1.277 118.644 119.914 0.012 0.000 2.591 427 V HA -0.242 3.880 4.120 0.002 0.000 0.249 427 V C 2.378 178.457 176.094 -0.026 0.000 1.053 427 V CA 1.263 63.549 62.300 -0.024 0.000 1.068 427 V CB -0.074 31.712 31.823 -0.061 0.000 0.689 427 V HN 0.431 nan 8.190 nan 0.000 0.462 428 Q N 0.131 119.916 119.800 -0.025 0.000 2.119 428 Q HA -0.190 4.152 4.340 0.002 0.000 0.201 428 Q C 2.211 178.211 176.000 -0.000 0.000 0.972 428 Q CA 1.672 57.459 55.803 -0.027 0.000 0.847 428 Q CB -0.279 28.437 28.738 -0.036 0.000 0.903 428 Q HN 0.695 nan 8.270 nan 0.000 0.433 429 Q N -1.292 118.522 119.800 0.022 0.000 2.226 429 Q HA -0.091 4.251 4.340 0.002 0.000 0.204 429 Q C 1.812 177.847 176.000 0.059 0.000 0.975 429 Q CA 1.140 56.969 55.803 0.043 0.000 0.866 429 Q CB -0.204 28.577 28.738 0.072 0.000 0.915 429 Q HN 0.508 nan 8.270 nan 0.000 0.440 430 G N 1.009 109.836 108.800 0.045 0.000 2.456 430 G HA2 -0.135 3.826 3.960 0.002 0.000 0.213 430 G HA3 -0.135 3.826 3.960 0.002 0.000 0.213 430 G C 1.560 176.470 174.900 0.018 0.000 1.215 430 G CA 0.677 45.800 45.100 0.038 0.000 0.805 430 G HN 0.395 nan 8.290 nan 0.000 0.537 431 A N 0.875 123.688 122.820 -0.012 0.000 1.954 431 A HA -0.200 4.121 4.320 0.002 0.000 0.222 431 A C 2.402 179.977 177.584 -0.015 0.000 1.199 431 A CA 1.872 53.894 52.037 -0.025 0.000 0.657 431 A CB -0.520 18.455 19.000 -0.042 0.000 0.823 431 A HN 0.427 nan 8.150 nan 0.000 0.463 432 I N -0.862 119.718 120.570 0.017 0.000 2.163 432 I HA -0.274 3.897 4.170 0.002 0.000 0.240 432 I C 3.046 179.265 176.117 0.171 0.000 1.081 432 I CA 1.063 62.403 61.300 0.067 0.000 1.353 432 I CB -0.592 37.466 38.000 0.097 0.000 1.054 432 I HN 0.403 nan 8.210 nan 0.000 0.407 433 A N 0.896 123.809 122.820 0.154 0.000 1.873 433 A HA -0.281 4.040 4.320 0.002 0.000 0.218 433 A C 2.372 180.047 177.584 0.152 0.000 1.193 433 A CA 2.028 54.172 52.037 0.178 0.000 0.629 433 A CB -0.768 18.305 19.000 0.121 0.000 0.826 433 A HN 0.350 nan 8.150 nan 0.000 0.447 434 M N -1.180 118.464 119.600 0.073 0.000 2.108 434 M HA -0.179 4.303 4.480 0.002 0.000 0.261 434 M C 2.142 178.435 176.300 -0.012 0.000 1.066 434 M CA 1.555 56.873 55.300 0.030 0.000 1.107 434 M CB -0.435 32.167 32.600 0.003 0.000 1.356 434 M HN 0.400 nan 8.290 nan 0.000 0.406 435 E N -0.034 120.118 120.200 -0.080 0.000 2.130 435 E HA -0.178 4.173 4.350 0.002 0.000 0.196 435 E C 1.645 178.066 176.600 -0.297 0.000 0.998 435 E CA 1.524 57.788 56.400 -0.228 0.000 0.806 435 E CB -0.145 29.332 29.700 -0.370 0.000 0.738 435 E HN 0.490 nan 8.360 nan 0.000 0.459 436 F N -0.757 119.190 119.950 -0.005 0.000 2.789 436 F HA 0.170 4.698 4.527 0.001 0.000 0.300 436 F C 1.652 177.453 175.800 0.002 0.000 1.132 436 F CA 0.834 58.833 58.000 -0.003 0.000 1.404 436 F CB 0.522 39.520 39.000 -0.003 0.000 1.114 436 F HN 0.101 nan 8.300 nan 0.000 0.584 437 G N 0.348 109.229 108.800 0.135 0.000 2.135 437 G HA2 -0.235 3.726 3.960 0.002 0.000 0.183 437 G HA3 -0.235 3.726 3.960 0.002 0.000 0.183 437 G C 0.255 175.205 174.900 0.084 0.000 1.004 437 G CA -0.097 45.056 45.100 0.088 0.000 0.677 437 G HN 0.193 nan 8.290 nan 0.000 0.512 438 T N 1.426 116.039 114.554 0.099 0.000 2.906 438 T HA 0.417 4.769 4.350 0.002 0.000 0.329 438 T C 1.090 175.823 174.700 0.055 0.000 1.091 438 T CA 0.926 63.073 62.100 0.078 0.000 1.127 438 T CB 1.120 70.041 68.868 0.089 0.000 1.035 438 T HN 1.455 nan 8.240 nan 0.000 0.547 439 S N 0.705 116.433 115.700 0.047 0.000 2.651 439 S HA 0.637 5.109 4.470 0.002 0.000 0.291 439 S C 1.514 176.133 174.600 0.032 0.000 1.141 439 S CA -0.556 57.664 58.200 0.034 0.000 1.027 439 S CB 1.531 64.749 63.200 0.030 0.000 1.043 439 S HN 0.784 nan 8.310 nan 0.000 0.530 440 A N 0.900 123.729 122.820 0.015 0.000 2.024 440 A HA -0.075 4.247 4.320 0.002 0.000 0.220 440 A C 1.875 179.456 177.584 -0.005 0.000 1.164 440 A CA 1.805 53.841 52.037 -0.002 0.000 0.643 440 A CB -1.046 17.935 19.000 -0.032 0.000 0.806 440 A HN 0.916 nan 8.150 nan 0.000 0.451 441 E N -0.068 120.135 120.200 0.006 0.000 2.274 441 E HA -0.103 4.249 4.350 0.002 0.000 0.194 441 E C 1.268 177.897 176.600 0.049 0.000 0.996 441 E CA 1.023 57.437 56.400 0.023 0.000 0.840 441 E CB -0.060 29.661 29.700 0.036 0.000 0.772 441 E HN 0.564 nan 8.360 nan 0.000 0.491 442 D N -0.130 120.302 120.400 0.052 0.000 2.103 442 D HA -0.096 4.545 4.640 0.002 0.000 0.199 442 D C 1.804 178.166 176.300 0.102 0.000 0.978 442 D CA 0.759 54.798 54.000 0.064 0.000 0.829 442 D CB -0.092 40.740 40.800 0.052 0.000 0.981 442 D HN 0.168 nan 8.370 nan 0.000 0.464 443 L N 0.404 121.700 121.223 0.122 0.000 2.093 443 L HA -0.016 4.325 4.340 0.002 0.000 0.208 443 L C 2.480 179.517 176.870 0.279 0.000 1.085 443 L CA 1.215 56.187 54.840 0.221 0.000 0.755 443 L CB -0.627 41.552 42.059 0.201 0.000 0.904 443 L HN 0.098 nan 8.230 nan 0.000 0.435 444 G N -0.485 108.389 108.800 0.123 0.000 2.462 444 G HA2 -0.245 3.716 3.960 0.002 0.000 0.220 444 G HA3 -0.245 3.716 3.960 0.002 0.000 0.220 444 G C 1.573 176.604 174.900 0.218 0.000 1.121 444 G CA 0.454 45.573 45.100 0.031 0.000 0.758 444 G HN 0.245 nan 8.290 nan 0.000 0.559 445 M N -0.021 119.694 119.600 0.191 0.000 2.595 445 M HA 0.284 4.766 4.480 0.002 0.000 0.248 445 M C 0.945 177.355 176.300 0.182 0.000 1.119 445 M CA 0.177 55.581 55.300 0.173 0.000 1.079 445 M CB 0.042 32.701 32.600 0.099 0.000 1.472 445 M HN 0.170 nan 8.290 nan 0.000 0.501 446 M N 0.211 119.953 119.600 0.236 0.000 2.228 446 M HA 0.192 4.674 4.480 0.002 0.000 0.326 446 M C -0.352 176.014 176.300 0.108 0.000 1.122 446 M CA -0.340 55.050 55.300 0.150 0.000 1.161 446 M CB 1.239 33.937 32.600 0.163 0.000 1.437 446 M HN -0.225 nan 8.290 nan 0.000 0.465 447 V N 2.343 122.255 119.914 -0.003 0.000 2.350 447 V HA 0.364 4.485 4.120 0.002 0.000 0.276 447 V C -0.848 175.194 176.094 -0.088 0.000 1.028 447 V CA -0.395 61.889 62.300 -0.027 0.000 0.860 447 V CB 0.500 32.307 31.823 -0.028 0.000 0.990 447 V HN 0.498 nan 8.190 nan 0.000 0.453 448 F N 2.774 122.552 119.950 -0.288 0.000 2.469 448 F HA 0.740 5.268 4.527 0.002 0.000 0.332 448 F C 0.722 176.459 175.800 -0.104 0.000 1.103 448 F CA -0.516 57.359 58.000 -0.208 0.000 0.979 448 F CB 1.674 40.490 39.000 -0.306 0.000 1.137 448 F HN 0.571 nan 8.300 nan 0.000 0.463 449 A N 2.182 125.060 122.820 0.096 0.000 2.386 449 A HA 0.330 4.651 4.320 0.002 0.000 0.248 449 A C -0.979 176.712 177.584 0.178 0.000 1.082 449 A CA -0.036 52.060 52.037 0.100 0.000 0.789 449 A CB 0.058 19.091 19.000 0.056 0.000 1.025 449 A HN 0.760 nan 8.150 nan 0.000 0.490 450 H N 0.968 120.062 119.070 0.040 0.000 2.469 450 H HA 0.636 5.193 4.556 0.003 0.000 0.342 450 H C -2.362 172.985 175.328 0.033 0.000 1.115 450 H CA -2.192 53.878 56.048 0.037 0.000 1.204 450 H CB 0.900 30.681 29.762 0.032 0.000 1.492 450 H HN 0.497 nan 8.280 nan 0.000 0.499 451 P HA 0.604 nan 4.420 nan 0.000 0.282 451 P C -1.564 175.803 177.300 0.112 0.000 1.249 451 P CA -0.699 62.398 63.100 -0.005 0.000 0.806 451 P CB 1.475 33.068 31.700 -0.179 0.000 0.984 452 A N 1.181 124.109 122.820 0.181 0.000 2.594 452 A HA 0.408 4.729 4.320 0.002 0.000 0.295 452 A C 0.397 178.098 177.584 0.194 0.000 1.071 452 A CA -0.683 51.448 52.037 0.156 0.000 0.685 452 A CB 0.557 19.652 19.000 0.158 0.000 1.285 452 A HN 0.464 nan 8.150 nan 0.000 0.405 453 L N 0.718 122.059 121.223 0.198 0.000 2.217 453 L HA -0.060 4.282 4.340 0.002 0.000 0.211 453 L C 2.324 179.371 176.870 0.294 0.000 1.107 453 L CA 1.404 56.421 54.840 0.295 0.000 0.783 453 L CB -0.186 42.011 42.059 0.230 0.000 0.919 453 L HN 0.752 nan 8.230 nan 0.000 0.442 454 S N -0.076 115.772 115.700 0.247 0.000 2.399 454 S HA -0.193 4.279 4.470 0.002 0.000 0.231 454 S C 1.766 176.534 174.600 0.280 0.000 1.022 454 S CA 1.185 59.571 58.200 0.310 0.000 0.983 454 S CB -0.211 63.181 63.200 0.320 0.000 0.803 454 S HN 0.486 nan 8.310 nan 0.000 0.480 455 E N 1.431 121.741 120.200 0.183 0.000 2.171 455 E HA -0.167 4.185 4.350 0.002 0.000 0.197 455 E C 2.242 178.709 176.600 -0.222 0.000 0.997 455 E CA 1.035 57.397 56.400 -0.064 0.000 0.810 455 E CB -0.275 29.414 29.700 -0.018 0.000 0.738 455 E HN 0.564 nan 8.360 nan 0.000 0.467 456 A N 1.007 123.777 122.820 -0.082 0.000 2.019 456 A HA -0.140 4.182 4.320 0.002 0.000 0.219 456 A C 2.131 179.599 177.584 -0.194 0.000 1.164 456 A CA 0.811 52.749 52.037 -0.165 0.000 0.644 456 A CB -0.379 18.512 19.000 -0.181 0.000 0.805 456 A HN 0.230 nan 8.150 nan 0.000 0.449 457 L N -1.207 119.954 121.223 -0.104 0.000 2.093 457 L HA -0.128 4.214 4.340 0.002 0.000 0.208 457 L C 2.373 179.087 176.870 -0.259 0.000 1.085 457 L CA 2.511 57.298 54.840 -0.087 0.000 0.755 457 L CB -0.496 41.607 42.059 0.075 0.000 0.904 457 L HN 0.609 nan 8.230 nan 0.000 0.435 458 H N -0.249 118.377 119.070 -0.740 0.000 2.293 458 H HA -0.115 4.442 4.556 0.002 0.000 0.300 458 H C 2.011 177.005 175.328 -0.557 0.000 1.082 458 H CA 2.079 57.547 56.048 -0.965 0.000 1.308 458 H CB 0.053 28.908 29.762 -1.511 0.000 1.375 458 H HN 0.360 nan 8.280 nan 0.000 0.495 459 E N 0.194 120.005 120.200 -0.649 0.000 2.204 459 E HA -0.099 4.253 4.350 0.002 0.000 0.194 459 E C 2.310 178.634 176.600 -0.460 0.000 0.989 459 E CA 0.807 56.780 56.400 -0.711 0.000 0.824 459 E CB -0.326 28.615 29.700 -1.265 0.000 0.756 459 E HN 0.621 nan 8.360 nan 0.000 0.477 460 A N 1.639 124.272 122.820 -0.311 0.000 1.898 460 A HA -0.002 4.320 4.320 0.002 0.000 0.216 460 A C 2.443 179.949 177.584 -0.130 0.000 1.181 460 A CA 1.691 53.661 52.037 -0.112 0.000 0.620 460 A CB -0.459 18.525 19.000 -0.028 0.000 0.819 460 A HN 0.265 nan 8.150 nan 0.000 0.442 461 A N -0.264 122.457 122.820 -0.166 0.000 1.898 461 A HA -0.005 4.316 4.320 0.002 0.000 0.216 461 A C 2.131 179.591 177.584 -0.207 0.000 1.181 461 A CA 1.390 53.343 52.037 -0.141 0.000 0.620 461 A CB -0.577 18.364 19.000 -0.097 0.000 0.819 461 A HN 0.458 nan 8.150 nan 0.000 0.442 462 L N -0.888 120.149 121.223 -0.310 0.000 2.131 462 L HA -0.168 4.173 4.340 0.002 0.000 0.210 462 L C 2.898 179.561 176.870 -0.346 0.000 1.092 462 L CA 0.920 55.535 54.840 -0.375 0.000 0.759 462 L CB -0.396 41.408 42.059 -0.424 0.000 0.903 462 L HN 0.455 nan 8.230 nan 0.000 0.435 463 A N -0.838 121.844 122.820 -0.230 0.000 2.119 463 A HA -0.035 4.287 4.320 0.002 0.000 0.216 463 A C 2.231 179.734 177.584 -0.134 0.000 1.152 463 A CA 0.699 52.647 52.037 -0.150 0.000 0.708 463 A CB -0.341 18.619 19.000 -0.067 0.000 0.805 463 A HN 0.198 nan 8.150 nan 0.000 0.460 464 V N 0.745 120.575 119.914 -0.140 0.000 2.453 464 V HA -0.154 3.968 4.120 0.002 0.000 0.247 464 V C 2.277 178.294 176.094 -0.128 0.000 1.048 464 V CA 2.073 64.312 62.300 -0.102 0.000 1.049 464 V CB -0.507 31.270 31.823 -0.077 0.000 0.672 464 V HN 0.677 nan 8.190 nan 0.000 0.457 465 S N -0.014 115.549 115.700 -0.229 0.000 2.710 465 S HA 0.308 4.780 4.470 0.002 0.000 0.224 465 S C 1.641 176.084 174.600 -0.261 0.000 0.948 465 S CA 0.474 58.509 58.200 -0.275 0.000 0.949 465 S CB 0.091 63.034 63.200 -0.428 0.000 0.778 465 S HN 0.937 nan 8.310 nan 0.000 0.498 466 G N 2.513 111.214 108.800 -0.164 0.000 2.196 466 G HA2 -0.303 3.659 3.960 0.002 0.000 0.268 466 G HA3 -0.303 3.659 3.960 0.002 0.000 0.268 466 G C 0.134 175.022 174.900 -0.019 0.000 0.975 466 G CA 0.573 45.638 45.100 -0.058 0.000 0.648 466 G HN 0.986 nan 8.290 nan 0.000 0.538 467 H N -2.300 116.734 119.070 -0.060 0.000 2.429 467 H HA 0.709 5.266 4.556 0.002 0.000 0.231 467 H C -0.134 175.134 175.328 -0.100 0.000 1.416 467 H CA -0.230 55.776 56.048 -0.070 0.000 1.443 467 H CB 0.252 29.978 29.762 -0.061 0.000 1.591 467 H HN 0.766 nan 8.280 nan 0.000 0.507 468 A N 3.834 126.621 122.820 -0.055 0.000 2.256 468 A HA 0.358 4.679 4.320 0.002 0.000 0.317 468 A C 1.093 178.634 177.584 -0.071 0.000 1.318 468 A CA -0.695 51.279 52.037 -0.106 0.000 0.894 468 A CB 0.304 19.252 19.000 -0.087 0.000 1.165 468 A HN 0.431 nan 8.150 nan 0.000 0.525 469 I N 1.516 122.007 120.570 -0.132 0.000 2.145 469 I HA -0.244 3.928 4.170 0.002 0.000 0.244 469 I C 1.440 177.308 176.117 -0.414 0.000 1.075 469 I CA 2.052 63.161 61.300 -0.317 0.000 1.332 469 I CB -1.555 36.127 38.000 -0.530 0.000 1.033 469 I HN 0.783 nan 8.210 nan 0.000 0.410 470 H N -1.436 117.684 119.070 0.083 0.000 2.542 470 H HA 0.296 4.853 4.556 0.002 0.000 0.283 470 H C 1.296 176.742 175.328 0.197 0.000 1.059 470 H CA 0.400 56.550 56.048 0.170 0.000 1.162 470 H CB 0.482 30.399 29.762 0.259 0.000 1.539 470 H HN 0.249 nan 8.280 nan 0.000 0.543 471 V N -3.112 116.927 119.914 0.208 0.000 3.658 471 V HA 0.805 4.927 4.120 0.002 0.000 0.197 471 V C 0.169 176.285 176.094 0.036 0.000 1.295 471 V CA 0.642 63.003 62.300 0.102 0.000 1.298 471 V CB 0.600 32.481 31.823 0.096 0.000 1.347 471 V HN 0.233 nan 8.190 nan 0.000 0.548 472 A N 0.000 122.835 122.820 0.026 0.000 2.254 472 A HA 0.000 4.321 4.320 0.002 0.000 0.244 472 A CA 0.000 52.039 52.037 0.003 0.000 0.836 472 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 472 A HN 0.000 nan 8.150 nan 0.000 0.486