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 2x7j_1_B DATA FIRST_RESID 2 DATA SEQUENCE TVNPITHYIG SFIDEFALSG ITDAVVCPGS RSTPLAVLCA AHPDISVHVQ DATA SEQUENCE IDERSAGFFA LGLAKAKQRP VLLICTSGTA AANFYPAVVE AHYSRVPIIV DATA SEQUENCE LTADRPHELR EVGAPQAINQ HFLFGNFVKF FTDSALPEES PQMLRYIRTL DATA SEQUENCE ASRAAGEAQK RPMGPVHVNV PLREPLMPDL SDEPFGRMRT GRHVSVKTGT DATA SEQUENCE QSVDRESLSD VAEMLAEAEK GMIVCGELHS DADKENIIAL SKALQYPILA DATA SEQUENCE DPLSNLRNGV HDKSTVIDAY DSFLKDDELK RKLRPDVVIR FGPMPVSKPV DATA SEQUENCE FLWLKDDPTI QQIVIDEDGG WRDPTQASAH MIHCNASVFA EEIMAGLTAA DATA SEQUENCE TRSSEWLEKW QFVNGRFREH LQTISSEDVS FEGNLYRILQ HLVPENSSLF DATA SEQUENCE VGNSMPIRDV DTFFEKQDRP FRIYSNRGAN GIDGVVSSAM GVCEGTKAPV DATA SEQUENCE TLVIGDLSFY HDLNGLLAAK KLGIPLTVIL VNNDGGGIFS FLPQASEKTH DATA SEQUENCE FEDLFGTPTG LDFKHAAALY GGTYSCPASW DEFKTAYAPQ ADKPGLHLIE DATA SEQUENCE IKTDRQSRVQ LHRDMLNEAV REVKKQWEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.703 174.700 0.005 0.000 1.109 2 T CA 0.000 62.102 62.100 0.003 0.000 1.349 2 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 3 V N 5.331 125.253 119.914 0.013 0.000 2.530 3 V HA 0.442 4.562 4.120 -0.000 0.000 0.282 3 V C 0.911 177.009 176.094 0.007 0.000 1.048 3 V CA -0.850 61.462 62.300 0.020 0.000 0.997 3 V CB 1.167 33.024 31.823 0.056 0.000 0.987 3 V HN 0.862 nan 8.190 nan 0.000 0.477 4 N N 7.360 126.053 118.700 -0.011 0.000 2.420 4 N HA 0.194 4.934 4.740 -0.000 0.000 0.262 4 N C -1.309 174.193 175.510 -0.013 0.000 1.144 4 N CA -1.934 51.104 53.050 -0.019 0.000 0.952 4 N CB 1.528 39.996 38.487 -0.032 0.000 1.081 4 N HN 0.294 nan 8.380 nan 0.000 0.480 5 P HA -0.111 nan 4.420 nan 0.000 0.219 5 P C 1.587 178.914 177.300 0.045 0.000 1.146 5 P CA 0.940 64.048 63.100 0.012 0.000 0.808 5 P CB 0.439 32.105 31.700 -0.057 0.000 0.779 6 I N -0.376 120.206 120.570 0.020 0.000 2.208 6 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 6 I C 2.183 178.335 176.117 0.057 0.000 1.097 6 I CA 1.694 63.037 61.300 0.072 0.000 1.363 6 I CB -1.067 36.958 38.000 0.041 0.000 1.051 6 I HN 0.022 nan 8.210 nan 0.000 0.413 7 T N -0.505 114.008 114.554 -0.069 0.000 2.597 7 T HA -0.304 4.046 4.350 -0.000 0.000 0.267 7 T C 1.650 176.217 174.700 -0.223 0.000 1.053 7 T CA 2.125 64.087 62.100 -0.230 0.000 1.165 7 T CB -0.555 68.036 68.868 -0.462 0.000 0.863 7 T HN 0.518 nan 8.240 nan 0.000 0.427 8 H N -1.734 117.378 119.070 0.071 0.000 2.547 8 H HA 0.215 4.771 4.556 -0.000 0.000 0.272 8 H C 1.822 177.235 175.328 0.141 0.000 0.971 8 H CA 0.442 56.537 56.048 0.079 0.000 1.245 8 H CB 0.052 29.852 29.762 0.063 0.000 1.440 8 H HN 0.374 nan 8.280 nan 0.000 0.540 9 Y N 1.042 121.418 120.300 0.126 0.000 2.176 9 Y HA -0.129 4.421 4.550 -0.001 0.000 0.291 9 Y C 1.879 177.852 175.900 0.121 0.000 1.122 9 Y CA 1.118 59.276 58.100 0.096 0.000 1.128 9 Y CB 0.026 38.519 38.460 0.055 0.000 1.005 9 Y HN 0.043 nan 8.280 nan 0.000 0.509 10 I N 0.185 120.910 120.570 0.259 0.000 2.546 10 I HA -0.101 4.069 4.170 -0.000 0.000 0.255 10 I C 2.574 178.860 176.117 0.281 0.000 1.163 10 I CA 1.281 62.737 61.300 0.259 0.000 1.457 10 I CB -2.057 36.112 38.000 0.281 0.000 1.092 10 I HN 0.402 nan 8.210 nan 0.000 0.434 11 G N 0.871 109.799 108.800 0.213 0.000 2.446 11 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.217 11 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.217 11 G C 1.828 176.955 174.900 0.378 0.000 1.168 11 G CA 1.116 46.368 45.100 0.253 0.000 0.771 11 G HN 0.391 nan 8.290 nan 0.000 0.551 12 S N 0.226 116.065 115.700 0.232 0.000 2.355 12 S HA -0.035 4.435 4.470 -0.000 0.000 0.222 12 S C 1.906 176.571 174.600 0.109 0.000 1.031 12 S CA 0.836 59.127 58.200 0.153 0.000 0.993 12 S CB -0.400 62.828 63.200 0.048 0.000 0.859 12 S HN 0.306 nan 8.310 nan 0.000 0.453 13 F N 2.921 122.792 119.950 -0.132 0.000 2.032 13 F HA -0.212 4.315 4.527 -0.001 0.000 0.297 13 F C 1.959 177.722 175.800 -0.061 0.000 1.125 13 F CA 1.214 59.098 58.000 -0.194 0.000 1.202 13 F CB -0.718 38.205 39.000 -0.127 0.000 0.958 13 F HN 0.098 nan 8.300 nan 0.000 0.491 14 I N 0.402 121.081 120.570 0.182 0.000 2.226 14 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 14 I C 2.258 178.332 176.117 -0.072 0.000 1.100 14 I CA 1.920 63.289 61.300 0.115 0.000 1.374 14 I CB -1.680 36.448 38.000 0.214 0.000 1.057 14 I HN 0.227 nan 8.210 nan 0.000 0.413 15 D N 0.716 121.119 120.400 0.005 0.000 2.144 15 D HA -0.253 4.387 4.640 -0.000 0.000 0.199 15 D C 2.085 178.301 176.300 -0.140 0.000 0.984 15 D CA 1.190 55.132 54.000 -0.096 0.000 0.834 15 D CB 0.131 41.056 40.800 0.208 0.000 0.955 15 D HN 0.150 nan 8.370 nan 0.000 0.465 16 E N -0.881 119.230 120.200 -0.148 0.000 2.150 16 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 16 E C 1.734 178.164 176.600 -0.283 0.000 0.985 16 E CA 0.849 57.120 56.400 -0.215 0.000 0.814 16 E CB -0.460 29.073 29.700 -0.278 0.000 0.752 16 E HN 0.443 nan 8.360 nan 0.000 0.466 17 F N 0.096 119.889 119.950 -0.262 0.000 2.134 17 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 17 F C 2.331 177.976 175.800 -0.258 0.000 1.097 17 F CA 0.877 58.710 58.000 -0.279 0.000 1.264 17 F CB -0.443 38.345 39.000 -0.353 0.000 1.001 17 F HN 0.123 nan 8.300 nan 0.000 0.479 18 A N 0.426 123.143 122.820 -0.172 0.000 1.883 18 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 18 A C 2.141 179.659 177.584 -0.110 0.000 1.186 18 A CA 1.599 53.492 52.037 -0.241 0.000 0.624 18 A CB -1.200 17.453 19.000 -0.578 0.000 0.822 18 A HN 0.389 nan 8.150 nan 0.000 0.444 19 L N -0.154 121.013 121.223 -0.094 0.000 2.127 19 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 19 L C 2.457 179.300 176.870 -0.045 0.000 1.089 19 L CA 1.389 56.201 54.840 -0.047 0.000 0.757 19 L CB -0.234 41.805 42.059 -0.034 0.000 0.899 19 L HN 0.296 nan 8.230 nan 0.000 0.434 20 S N -0.719 114.947 115.700 -0.055 0.000 2.561 20 S HA 0.100 4.570 4.470 -0.000 0.000 0.225 20 S C 1.447 176.032 174.600 -0.024 0.000 0.977 20 S CA 0.810 58.987 58.200 -0.038 0.000 0.926 20 S CB 0.273 63.453 63.200 -0.034 0.000 0.769 20 S HN 0.683 nan 8.310 nan 0.000 0.533 21 G N 0.886 109.669 108.800 -0.028 0.000 2.184 21 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.206 21 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.206 21 G C -0.013 174.867 174.900 -0.034 0.000 0.995 21 G CA -0.633 44.450 45.100 -0.028 0.000 0.651 21 G HN 0.363 nan 8.290 nan 0.000 0.511 22 I N 2.675 123.223 120.570 -0.038 0.000 2.598 22 I HA 0.240 4.409 4.170 -0.000 0.000 0.284 22 I C 1.775 177.848 176.117 -0.074 0.000 1.140 22 I CA 1.537 62.800 61.300 -0.063 0.000 1.420 22 I CB 0.742 38.693 38.000 -0.082 0.000 1.387 22 I HN 0.330 nan 8.210 nan 0.000 0.553 23 T N 0.470 114.989 114.554 -0.058 0.000 2.975 23 T HA 0.250 4.600 4.350 -0.000 0.000 0.257 23 T C 0.345 175.031 174.700 -0.024 0.000 1.003 23 T CA -0.211 61.867 62.100 -0.038 0.000 0.932 23 T CB 0.635 69.495 68.868 -0.014 0.000 1.087 23 T HN 0.482 nan 8.240 nan 0.000 0.512 24 D N 1.067 121.454 120.400 -0.021 0.000 2.780 24 D HA 0.625 5.265 4.640 -0.000 0.000 0.242 24 D C -1.371 174.931 176.300 0.003 0.000 1.135 24 D CA -0.468 53.559 54.000 0.045 0.000 0.859 24 D CB 2.414 43.304 40.800 0.150 0.000 1.530 24 D HN 0.356 nan 8.370 nan 0.000 0.493 25 A N 1.701 124.538 122.820 0.028 0.000 2.353 25 A HA 0.517 4.836 4.320 -0.000 0.000 0.299 25 A C -0.621 177.032 177.584 0.116 0.000 1.089 25 A CA -0.651 51.387 52.037 0.001 0.000 0.736 25 A CB 1.201 20.162 19.000 -0.064 0.000 1.195 25 A HN 0.303 nan 8.150 nan 0.000 0.447 26 V N 3.336 123.322 119.914 0.120 0.000 2.385 26 V HA 0.404 4.524 4.120 -0.000 0.000 0.269 26 V C -0.090 176.064 176.094 0.100 0.000 1.043 26 V CA -0.220 62.184 62.300 0.173 0.000 0.906 26 V CB 0.906 32.835 31.823 0.177 0.000 0.995 26 V HN 0.610 nan 8.190 nan 0.000 0.467 27 V N 4.203 124.179 119.914 0.104 0.000 2.604 27 V HA 0.474 4.594 4.120 -0.000 0.000 0.305 27 V C -0.207 175.950 176.094 0.106 0.000 1.043 27 V CA -0.507 61.850 62.300 0.096 0.000 0.888 27 V CB 1.995 33.856 31.823 0.063 0.000 0.995 27 V HN 0.937 nan 8.190 nan 0.000 0.429 28 C N 5.909 125.289 119.300 0.132 0.000 2.417 28 C HA 0.611 5.071 4.460 -0.000 0.000 0.324 28 C C -2.181 172.851 174.990 0.070 0.000 1.240 28 C CA -1.220 57.861 59.018 0.105 0.000 1.632 28 C CB 1.532 29.352 27.740 0.134 0.000 2.241 28 C HN 0.706 nan 8.230 nan 0.000 0.499 29 P HA 0.458 nan 4.420 nan 0.000 0.269 29 P C -0.144 177.174 177.300 0.030 0.000 1.215 29 P CA 0.726 63.847 63.100 0.036 0.000 0.780 29 P CB 0.792 32.508 31.700 0.025 0.000 0.898 30 G N -0.679 108.140 108.800 0.030 0.000 2.377 30 G HA2 0.238 4.197 3.960 -0.000 0.000 0.297 30 G HA3 0.238 4.197 3.960 -0.000 0.000 0.297 30 G C 0.344 175.261 174.900 0.028 0.000 1.547 30 G CA 0.185 45.299 45.100 0.024 0.000 0.833 30 G HN 0.418 nan 8.290 nan 0.000 0.583 31 S N -0.334 115.378 115.700 0.021 0.000 2.362 31 S HA -0.078 4.392 4.470 -0.000 0.000 0.221 31 S C 2.290 176.907 174.600 0.029 0.000 1.032 31 S CA 1.883 60.096 58.200 0.022 0.000 0.973 31 S CB -0.179 63.030 63.200 0.015 0.000 0.849 31 S HN 0.618 nan 8.310 nan 0.000 0.465 32 R N 1.703 122.219 120.500 0.028 0.000 2.148 32 R HA 0.076 4.416 4.340 -0.000 0.000 0.227 32 R C 2.061 178.393 176.300 0.053 0.000 1.103 32 R CA 1.793 57.914 56.100 0.035 0.000 0.983 32 R CB -0.707 29.610 30.300 0.027 0.000 0.874 32 R HN 0.566 nan 8.270 nan 0.000 0.451 33 S N -1.735 114.001 115.700 0.059 0.000 2.650 33 S HA 0.024 4.493 4.470 -0.000 0.000 0.219 33 S C 1.404 176.052 174.600 0.081 0.000 0.960 33 S CA 0.394 58.643 58.200 0.082 0.000 0.925 33 S CB -0.129 63.125 63.200 0.090 0.000 0.775 33 S HN 0.211 nan 8.310 nan 0.000 0.525 34 T N 4.137 118.729 114.554 0.064 0.000 2.564 34 T HA -0.130 4.219 4.350 -0.000 0.000 0.264 34 T C -0.525 174.218 174.700 0.072 0.000 1.100 34 T CA 2.296 64.431 62.100 0.058 0.000 1.171 34 T CB -1.537 67.357 68.868 0.043 0.000 0.863 34 T HN 0.487 nan 8.240 nan 0.000 0.430 35 P HA 0.007 nan 4.420 nan 0.000 0.220 35 P C 1.512 178.890 177.300 0.131 0.000 1.148 35 P CA 1.040 64.197 63.100 0.095 0.000 0.803 35 P CB -0.259 31.502 31.700 0.102 0.000 0.782 36 L N -0.955 120.351 121.223 0.138 0.000 2.131 36 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 36 L C 2.760 179.700 176.870 0.117 0.000 1.087 36 L CA 1.258 56.191 54.840 0.155 0.000 0.767 36 L CB -1.009 41.147 42.059 0.162 0.000 0.917 36 L HN -0.074 nan 8.230 nan 0.000 0.441 37 A N -0.236 122.642 122.820 0.097 0.000 1.854 37 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 37 A C 2.323 179.956 177.584 0.082 0.000 1.192 37 A CA 1.331 53.415 52.037 0.077 0.000 0.611 37 A CB -0.793 18.246 19.000 0.066 0.000 0.832 37 A HN 0.108 nan 8.150 nan 0.000 0.442 38 V N 0.436 120.401 119.914 0.085 0.000 2.287 38 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 38 V C 2.597 178.771 176.094 0.134 0.000 1.053 38 V CA 2.153 64.505 62.300 0.087 0.000 1.027 38 V CB -0.832 31.030 31.823 0.065 0.000 0.646 38 V HN 0.561 nan 8.190 nan 0.000 0.447 39 L N -1.104 120.223 121.223 0.173 0.000 2.141 39 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 39 L C 2.580 179.652 176.870 0.336 0.000 1.094 39 L CA 1.288 56.317 54.840 0.316 0.000 0.763 39 L CB -0.716 41.543 42.059 0.335 0.000 0.908 39 L HN 0.391 nan 8.230 nan 0.000 0.437 40 C N -0.305 119.102 119.300 0.178 0.000 2.440 40 C HA -0.091 4.369 4.460 -0.000 0.000 0.278 40 C C 3.120 178.167 174.990 0.095 0.000 1.295 40 C CA 0.711 59.783 59.018 0.091 0.000 1.738 40 C CB -0.927 26.825 27.740 0.021 0.000 1.987 40 C HN 0.609 nan 8.230 nan 0.000 0.492 41 A N 0.425 123.307 122.820 0.103 0.000 1.898 41 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 41 A C 2.346 180.001 177.584 0.117 0.000 1.181 41 A CA 1.817 53.901 52.037 0.078 0.000 0.620 41 A CB -0.840 18.197 19.000 0.061 0.000 0.819 41 A HN 0.542 nan 8.150 nan 0.000 0.442 42 A N -1.475 121.463 122.820 0.196 0.000 2.015 42 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 42 A C 1.351 179.096 177.584 0.268 0.000 1.163 42 A CA 0.717 52.900 52.037 0.244 0.000 0.646 42 A CB -0.618 18.559 19.000 0.295 0.000 0.806 42 A HN 0.605 nan 8.150 nan 0.000 0.448 43 H N 0.212 119.350 119.070 0.114 0.000 2.819 43 H HA 0.192 4.748 4.556 -0.001 0.000 0.303 43 H C -1.866 173.391 175.328 -0.118 0.000 1.058 43 H CA -1.692 54.234 56.048 -0.203 0.000 1.471 43 H CB 1.287 30.745 29.762 -0.507 0.000 1.480 43 H HN 0.058 nan 8.280 nan 0.000 0.517 44 P HA -0.084 nan 4.420 nan 0.000 0.220 44 P C 0.597 177.933 177.300 0.059 0.000 1.148 44 P CA 0.917 64.000 63.100 -0.027 0.000 0.803 44 P CB 0.494 32.138 31.700 -0.094 0.000 0.782 45 D N -1.130 119.400 120.400 0.216 0.000 2.349 45 D HA 0.103 4.743 4.640 -0.000 0.000 0.215 45 D C 0.650 176.966 176.300 0.026 0.000 1.016 45 D CA 0.499 54.568 54.000 0.114 0.000 0.870 45 D CB 0.324 41.197 40.800 0.121 0.000 0.917 45 D HN 0.253 nan 8.370 nan 0.000 0.524 46 I N 0.924 121.507 120.570 0.021 0.000 2.382 46 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 46 I C -0.126 175.958 176.117 -0.054 0.000 1.002 46 I CA -0.432 60.837 61.300 -0.052 0.000 1.135 46 I CB 1.876 39.809 38.000 -0.112 0.000 1.288 46 I HN -0.366 nan 8.210 nan 0.000 0.448 47 S N 5.049 120.698 115.700 -0.084 0.000 2.499 47 S HA 0.308 4.778 4.470 -0.000 0.000 0.275 47 S C 0.000 174.399 174.600 -0.335 0.000 1.257 47 S CA -0.517 57.572 58.200 -0.184 0.000 1.050 47 S CB 1.282 64.372 63.200 -0.182 0.000 0.937 47 S HN 0.310 nan 8.310 nan 0.000 0.490 48 V N 5.875 125.604 119.914 -0.310 0.000 2.383 48 V HA 0.231 4.350 4.120 -0.000 0.000 0.275 48 V C -0.145 175.733 176.094 -0.361 0.000 1.036 48 V CA -0.575 61.573 62.300 -0.253 0.000 0.889 48 V CB 0.489 32.257 31.823 -0.092 0.000 0.985 48 V HN 0.789 nan 8.190 nan 0.000 0.459 49 H N 4.105 123.204 119.070 0.049 0.000 2.581 49 H HA 0.400 4.956 4.556 -0.001 0.000 0.308 49 H C -0.479 174.840 175.328 -0.016 0.000 1.040 49 H CA -0.501 55.564 56.048 0.029 0.000 1.231 49 H CB 1.710 31.545 29.762 0.122 0.000 1.396 49 H HN 0.355 nan 8.280 nan 0.000 0.467 50 V N 4.762 124.702 119.914 0.044 0.000 2.432 50 V HA 0.125 4.245 4.120 -0.000 0.000 0.275 50 V C 0.258 176.337 176.094 -0.025 0.000 1.043 50 V CA -0.383 61.927 62.300 0.018 0.000 0.925 50 V CB 1.351 33.181 31.823 0.013 0.000 0.985 50 V HN 0.691 nan 8.190 nan 0.000 0.466 51 Q N 3.540 123.333 119.800 -0.011 0.000 2.347 51 Q HA 0.458 4.798 4.340 -0.000 0.000 0.271 51 Q C 0.135 176.142 176.000 0.011 0.000 1.064 51 Q CA -0.768 55.013 55.803 -0.037 0.000 0.800 51 Q CB 2.673 31.379 28.738 -0.055 0.000 1.304 51 Q HN 0.504 nan 8.270 nan 0.000 0.438 52 I N -0.111 120.461 120.570 0.003 0.000 2.400 52 I HA -0.067 4.103 4.170 -0.000 0.000 0.248 52 I C 0.844 176.974 176.117 0.022 0.000 1.109 52 I CA 0.975 62.285 61.300 0.016 0.000 1.425 52 I CB -0.256 37.753 38.000 0.015 0.000 1.094 52 I HN 0.568 nan 8.210 nan 0.000 0.425 53 D N 1.698 122.113 120.400 0.025 0.000 2.380 53 D HA 0.092 4.732 4.640 -0.000 0.000 0.230 53 D C 0.978 177.326 176.300 0.081 0.000 1.154 53 D CA 0.009 54.031 54.000 0.036 0.000 0.859 53 D CB 1.363 42.179 40.800 0.026 0.000 1.045 53 D HN 0.008 nan 8.370 nan 0.000 0.495 54 E N 2.371 122.612 120.200 0.069 0.000 2.130 54 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 54 E C 1.807 178.575 176.600 0.280 0.000 0.998 54 E CA 0.971 57.454 56.400 0.138 0.000 0.806 54 E CB 0.075 29.665 29.700 -0.184 0.000 0.738 54 E HN 0.420 nan 8.360 nan 0.000 0.459 55 R N 0.210 120.825 120.500 0.192 0.000 2.075 55 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 55 R C 2.003 178.508 176.300 0.341 0.000 1.126 55 R CA 1.578 57.841 56.100 0.271 0.000 0.963 55 R CB -0.152 30.279 30.300 0.218 0.000 0.858 55 R HN 0.108 nan 8.270 nan 0.000 0.435 56 S N 0.680 116.518 115.700 0.230 0.000 2.368 56 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 56 S C 2.013 176.741 174.600 0.214 0.000 1.029 56 S CA 1.043 59.359 58.200 0.195 0.000 0.988 56 S CB -0.161 63.073 63.200 0.057 0.000 0.838 56 S HN 0.549 nan 8.310 nan 0.000 0.462 57 A N 1.499 124.435 122.820 0.194 0.000 1.917 57 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 57 A C 2.289 179.970 177.584 0.161 0.000 1.182 57 A CA 1.914 54.067 52.037 0.193 0.000 0.633 57 A CB -1.403 17.752 19.000 0.258 0.000 0.819 57 A HN 0.530 nan 8.150 nan 0.000 0.448 58 G N -1.772 107.111 108.800 0.137 0.000 2.402 58 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 58 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 58 G C 1.342 176.143 174.900 -0.165 0.000 1.162 58 G CA 0.939 45.950 45.100 -0.149 0.000 0.777 58 G HN 0.473 nan 8.290 nan 0.000 0.539 59 F N -0.706 119.257 119.950 0.023 0.000 2.558 59 F HA 0.214 4.740 4.527 -0.001 0.000 0.298 59 F C 2.023 177.814 175.800 -0.014 0.000 1.119 59 F CA 0.151 58.144 58.000 -0.010 0.000 1.451 59 F CB -0.020 38.976 39.000 -0.008 0.000 1.091 59 F HN 0.159 nan 8.300 nan 0.000 0.563 60 F N 0.647 120.622 119.950 0.042 0.000 2.128 60 F HA -0.032 4.495 4.527 -0.000 0.000 0.295 60 F C 2.354 178.093 175.800 -0.102 0.000 1.100 60 F CA 1.155 59.123 58.000 -0.052 0.000 1.260 60 F CB -0.684 38.281 39.000 -0.058 0.000 1.009 60 F HN -0.108 nan 8.300 nan 0.000 0.476 61 A N 0.771 123.569 122.820 -0.037 0.000 1.892 61 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 61 A C 2.174 179.620 177.584 -0.230 0.000 1.188 61 A CA 2.002 53.931 52.037 -0.179 0.000 0.631 61 A CB -1.431 17.457 19.000 -0.187 0.000 0.822 61 A HN 0.563 nan 8.150 nan 0.000 0.447 62 L N -0.109 121.005 121.223 -0.181 0.000 1.970 62 L HA -0.096 4.243 4.340 -0.000 0.000 0.212 62 L C 2.471 179.257 176.870 -0.140 0.000 1.071 62 L CA 2.634 57.388 54.840 -0.144 0.000 0.751 62 L CB -0.992 41.019 42.059 -0.080 0.000 0.889 62 L HN 0.318 nan 8.230 nan 0.000 0.432 63 G N -0.425 108.283 108.800 -0.154 0.000 2.446 63 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 63 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 63 G C 1.662 176.376 174.900 -0.309 0.000 1.168 63 G CA 1.061 46.039 45.100 -0.203 0.000 0.771 63 G HN 0.426 nan 8.290 nan 0.000 0.551 64 L N 0.485 121.441 121.223 -0.446 0.000 1.990 64 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 64 L C 3.388 180.099 176.870 -0.265 0.000 1.072 64 L CA 1.616 56.203 54.840 -0.421 0.000 0.755 64 L CB -0.350 41.402 42.059 -0.511 0.000 0.889 64 L HN 0.352 nan 8.230 nan 0.000 0.432 65 A N -0.805 121.878 122.820 -0.229 0.000 1.930 65 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 65 A C 2.325 179.809 177.584 -0.166 0.000 1.175 65 A CA 1.765 53.697 52.037 -0.174 0.000 0.627 65 A CB -0.412 18.492 19.000 -0.159 0.000 0.815 65 A HN 0.347 nan 8.150 nan 0.000 0.443 66 K N -0.345 119.952 120.400 -0.172 0.000 2.057 66 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 66 K C 2.222 178.708 176.600 -0.191 0.000 1.049 66 K CA 1.165 57.353 56.287 -0.166 0.000 0.931 66 K CB -0.300 32.133 32.500 -0.111 0.000 0.714 66 K HN 0.403 nan 8.250 nan 0.000 0.440 67 A N 1.438 124.120 122.820 -0.230 0.000 1.858 67 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 67 A C 1.744 179.284 177.584 -0.074 0.000 1.190 67 A CA 1.670 53.596 52.037 -0.185 0.000 0.617 67 A CB -0.261 18.616 19.000 -0.206 0.000 0.827 67 A HN 0.265 nan 8.150 nan 0.000 0.443 68 K N -1.250 119.092 120.400 -0.098 0.000 2.426 68 K HA 0.042 4.362 4.320 -0.000 0.000 0.193 68 K C -0.066 176.492 176.600 -0.069 0.000 1.028 68 K CA 0.251 56.499 56.287 -0.065 0.000 1.047 68 K CB 0.322 32.780 32.500 -0.070 0.000 0.821 68 K HN 0.325 nan 8.250 nan 0.000 0.513 69 Q N 0.221 119.957 119.800 -0.107 0.000 2.480 69 Q HA -0.205 4.135 4.340 -0.000 0.000 0.265 69 Q C -0.752 175.196 176.000 -0.085 0.000 1.072 69 Q CA 1.350 57.083 55.803 -0.117 0.000 1.018 69 Q CB -1.449 27.227 28.738 -0.103 0.000 1.433 69 Q HN 0.641 nan 8.270 nan 0.000 0.513 70 R N -1.732 118.718 120.500 -0.084 0.000 2.707 70 R HA 0.723 5.063 4.340 -0.000 0.000 0.272 70 R C -2.902 173.349 176.300 -0.082 0.000 1.011 70 R CA -1.944 54.114 56.100 -0.070 0.000 0.893 70 R CB 1.562 31.831 30.300 -0.053 0.000 1.233 70 R HN -0.244 nan 8.270 nan 0.000 0.464 71 P HA 0.044 nan 4.420 nan 0.000 0.270 71 P C -0.355 176.880 177.300 -0.109 0.000 1.223 71 P CA -0.411 62.635 63.100 -0.091 0.000 0.785 71 P CB 0.989 32.646 31.700 -0.071 0.000 0.923 72 V N -0.226 119.606 119.914 -0.137 0.000 3.040 72 V HA 0.524 4.644 4.120 -0.000 0.000 0.312 72 V C -0.520 175.457 176.094 -0.195 0.000 1.115 72 V CA -1.272 60.941 62.300 -0.146 0.000 0.998 72 V CB 1.702 33.448 31.823 -0.128 0.000 1.042 72 V HN 0.278 nan 8.190 nan 0.000 0.433 73 L N 3.024 124.113 121.223 -0.223 0.000 2.371 73 L HA 0.556 4.895 4.340 -0.000 0.000 0.272 73 L C -0.587 176.166 176.870 -0.195 0.000 1.124 73 L CA -0.400 54.269 54.840 -0.285 0.000 0.816 73 L CB 1.457 43.295 42.059 -0.368 0.000 1.129 73 L HN 0.685 nan 8.230 nan 0.000 0.448 74 L N 5.355 126.449 121.223 -0.215 0.000 2.404 74 L HA 0.609 4.949 4.340 -0.000 0.000 0.272 74 L C -0.988 175.812 176.870 -0.117 0.000 0.980 74 L CA 0.104 54.802 54.840 -0.236 0.000 0.836 74 L CB 1.420 43.184 42.059 -0.491 0.000 1.238 74 L HN 0.365 nan 8.230 nan 0.000 0.408 75 I N 4.998 125.601 120.570 0.055 0.000 2.582 75 I HA 0.650 4.820 4.170 -0.000 0.000 0.292 75 I C -0.585 175.725 176.117 0.322 0.000 1.066 75 I CA -0.637 60.772 61.300 0.181 0.000 1.053 75 I CB 1.955 40.014 38.000 0.097 0.000 1.241 75 I HN 0.857 nan 8.210 nan 0.000 0.421 76 C N 1.549 121.043 119.300 0.324 0.000 3.323 76 C HA 0.718 5.177 4.460 -0.000 0.000 0.324 76 C C 0.096 175.154 174.990 0.112 0.000 1.428 76 C CA -0.580 58.553 59.018 0.191 0.000 1.368 76 C CB 1.491 29.259 27.740 0.047 0.000 1.731 76 C HN 0.773 nan 8.230 nan 0.000 0.455 77 T N 1.036 115.618 114.554 0.046 0.000 2.824 77 T HA 0.593 4.943 4.350 -0.000 0.000 0.277 77 T C 0.623 175.327 174.700 0.006 0.000 0.975 77 T CA 0.453 62.573 62.100 0.034 0.000 0.966 77 T CB 0.534 69.413 68.868 0.019 0.000 1.054 77 T HN 1.520 nan 8.240 nan 0.000 0.533 78 S N 0.543 116.246 115.700 0.005 0.000 2.579 78 S HA 0.585 5.055 4.470 -0.000 0.000 0.275 78 S C 0.768 175.342 174.600 -0.043 0.000 1.345 78 S CA 0.003 58.193 58.200 -0.017 0.000 1.031 78 S CB 0.214 63.405 63.200 -0.014 0.000 0.892 78 S HN 1.545 nan 8.310 nan 0.000 0.529 79 G N 1.275 110.037 108.800 -0.064 0.000 2.378 79 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.198 79 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.198 79 G C 0.532 175.371 174.900 -0.101 0.000 1.223 79 G CA 0.410 45.466 45.100 -0.074 0.000 1.088 79 G HN 1.688 nan 8.290 nan 0.000 0.530 80 T N -0.448 114.051 114.554 -0.092 0.000 3.051 80 T HA 0.326 4.676 4.350 -0.000 0.000 0.269 80 T C 2.509 177.125 174.700 -0.140 0.000 1.127 80 T CA 2.138 64.177 62.100 -0.102 0.000 1.107 80 T CB -0.317 68.510 68.868 -0.070 0.000 0.898 80 T HN 1.976 nan 8.240 nan 0.000 0.517 81 A N 2.138 124.863 122.820 -0.158 0.000 1.892 81 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 81 A C 2.835 180.144 177.584 -0.459 0.000 1.188 81 A CA 2.088 53.973 52.037 -0.254 0.000 0.631 81 A CB -1.478 17.404 19.000 -0.197 0.000 0.822 81 A HN 0.752 nan 8.150 nan 0.000 0.447 82 A N -0.486 122.132 122.820 -0.336 0.000 1.930 82 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 82 A C 2.489 179.964 177.584 -0.181 0.000 1.175 82 A CA 1.923 53.776 52.037 -0.306 0.000 0.627 82 A CB -0.983 17.939 19.000 -0.130 0.000 0.815 82 A HN 1.148 nan 8.150 nan 0.000 0.443 83 A N 0.401 123.114 122.820 -0.178 0.000 1.940 83 A HA -0.214 4.105 4.320 -0.000 0.000 0.219 83 A C 1.850 179.454 177.584 0.033 0.000 1.176 83 A CA 1.601 53.576 52.037 -0.104 0.000 0.631 83 A CB -0.704 18.228 19.000 -0.113 0.000 0.814 83 A HN 0.608 nan 8.150 nan 0.000 0.446 84 N N -1.015 117.650 118.700 -0.059 0.000 2.520 84 N HA -0.078 4.661 4.740 -0.000 0.000 0.185 84 N C 0.642 176.250 175.510 0.163 0.000 1.068 84 N CA 0.849 53.910 53.050 0.017 0.000 0.911 84 N CB -0.207 38.242 38.487 -0.063 0.000 0.961 84 N HN 0.457 nan 8.380 nan 0.000 0.446 85 F N -0.224 119.822 119.950 0.159 0.000 2.710 85 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 85 F C 1.943 177.777 175.800 0.057 0.000 1.137 85 F CA -0.591 57.443 58.000 0.057 0.000 1.444 85 F CB -0.859 38.154 39.000 0.022 0.000 1.111 85 F HN 0.012 nan 8.300 nan 0.000 0.580 86 Y N 1.882 122.352 120.300 0.283 0.000 2.081 86 Y HA -0.187 4.363 4.550 -0.000 0.000 0.280 86 Y C -0.539 175.336 175.900 -0.042 0.000 1.163 86 Y CA 1.456 59.675 58.100 0.198 0.000 1.135 86 Y CB -1.937 36.645 38.460 0.202 0.000 0.970 86 Y HN 0.016 nan 8.280 nan 0.000 0.498 87 P HA -0.148 nan 4.420 nan 0.000 0.216 87 P C 1.495 178.590 177.300 -0.342 0.000 1.153 87 P CA 2.507 65.561 63.100 -0.076 0.000 0.848 87 P CB -0.285 31.538 31.700 0.205 0.000 0.787 88 A N -0.639 121.765 122.820 -0.694 0.000 1.898 88 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 88 A C 2.336 179.606 177.584 -0.523 0.000 1.181 88 A CA 1.573 52.986 52.037 -1.040 0.000 0.620 88 A CB -1.689 16.680 19.000 -1.051 0.000 0.819 88 A HN 0.009 nan 8.150 nan 0.000 0.442 89 V N -0.237 119.422 119.914 -0.424 0.000 2.287 89 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 89 V C 2.595 178.516 176.094 -0.288 0.000 1.053 89 V CA 2.072 64.145 62.300 -0.379 0.000 1.027 89 V CB -0.816 30.675 31.823 -0.553 0.000 0.646 89 V HN 0.379 nan 8.190 nan 0.000 0.447 90 V N 0.138 119.795 119.914 -0.429 0.000 2.255 90 V HA -0.296 3.823 4.120 -0.000 0.000 0.247 90 V C 2.581 178.632 176.094 -0.072 0.000 1.051 90 V CA 2.425 64.424 62.300 -0.501 0.000 1.018 90 V CB -0.682 30.709 31.823 -0.720 0.000 0.641 90 V HN 0.659 nan 8.190 nan 0.000 0.445 91 E N 0.890 121.052 120.200 -0.063 0.000 2.077 91 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 91 E C 2.070 178.702 176.600 0.053 0.000 0.989 91 E CA 1.780 58.224 56.400 0.072 0.000 0.800 91 E CB -0.550 29.217 29.700 0.111 0.000 0.746 91 E HN 0.502 nan 8.360 nan 0.000 0.452 92 A N -0.323 122.465 122.820 -0.053 0.000 1.933 92 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 92 A C 2.173 179.743 177.584 -0.022 0.000 1.175 92 A CA 1.934 53.937 52.037 -0.058 0.000 0.628 92 A CB -1.044 17.878 19.000 -0.130 0.000 0.814 92 A HN 0.593 nan 8.150 nan 0.000 0.444 93 H N -2.033 116.976 119.070 -0.101 0.000 2.321 93 H HA -0.183 4.373 4.556 -0.000 0.000 0.300 93 H C 1.701 176.917 175.328 -0.187 0.000 1.087 93 H CA 2.405 58.367 56.048 -0.143 0.000 1.319 93 H CB -0.277 29.395 29.762 -0.149 0.000 1.379 93 H HN 0.533 nan 8.280 nan 0.000 0.501 94 Y N -0.692 119.653 120.300 0.075 0.000 2.395 94 Y HA 0.037 4.587 4.550 -0.001 0.000 0.293 94 Y C 2.807 178.692 175.900 -0.024 0.000 1.123 94 Y CA 1.027 59.137 58.100 0.017 0.000 1.227 94 Y CB -0.009 38.516 38.460 0.108 0.000 1.012 94 Y HN 0.186 nan 8.280 nan 0.000 0.552 95 S N -0.495 115.272 115.700 0.113 0.000 2.496 95 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 95 S C 0.398 175.004 174.600 0.010 0.000 0.996 95 S CA 0.127 58.370 58.200 0.072 0.000 0.927 95 S CB -0.173 63.075 63.200 0.081 0.000 0.774 95 S HN 0.337 nan 8.310 nan 0.000 0.524 96 R N 0.275 120.743 120.500 -0.053 0.000 3.184 96 R HA -0.110 4.229 4.340 -0.000 0.000 0.257 96 R C -1.402 174.856 176.300 -0.070 0.000 0.999 96 R CA -0.011 56.039 56.100 -0.082 0.000 0.670 96 R CB -2.292 27.968 30.300 -0.067 0.000 1.197 96 R HN 0.129 nan 8.270 nan 0.000 0.419 97 V N 1.659 121.531 119.914 -0.071 0.000 2.417 97 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 97 V C -1.649 174.393 176.094 -0.087 0.000 1.024 97 V CA -1.829 60.419 62.300 -0.086 0.000 0.861 97 V CB 2.015 33.789 31.823 -0.082 0.000 0.985 97 V HN 0.095 nan 8.190 nan 0.000 0.436 98 P HA 0.460 nan 4.420 nan 0.000 0.287 98 P C -0.997 176.244 177.300 -0.099 0.000 1.307 98 P CA 0.041 63.095 63.100 -0.075 0.000 0.777 98 P CB 0.848 32.508 31.700 -0.067 0.000 0.883 99 I N 4.176 124.686 120.570 -0.099 0.000 2.619 99 I HA 0.424 4.593 4.170 -0.000 0.000 0.292 99 I C 0.113 176.164 176.117 -0.110 0.000 1.100 99 I CA -1.167 60.049 61.300 -0.141 0.000 1.043 99 I CB 2.592 40.471 38.000 -0.203 0.000 1.239 99 I HN 0.128 nan 8.210 nan 0.000 0.420 100 I N 5.761 126.247 120.570 -0.141 0.000 2.328 100 I HA 0.283 4.452 4.170 -0.000 0.000 0.287 100 I C -0.331 175.706 176.117 -0.133 0.000 1.012 100 I CA -0.676 60.557 61.300 -0.111 0.000 1.195 100 I CB 1.522 39.392 38.000 -0.215 0.000 1.350 100 I HN 0.193 nan 8.210 nan 0.000 0.464 101 V N 7.696 127.599 119.914 -0.018 0.000 2.383 101 V HA 0.402 4.522 4.120 -0.000 0.000 0.275 101 V C 0.077 176.317 176.094 0.244 0.000 1.036 101 V CA -0.486 61.828 62.300 0.022 0.000 0.889 101 V CB 1.302 33.115 31.823 -0.016 0.000 0.985 101 V HN 0.473 nan 8.190 nan 0.000 0.459 102 L N 5.310 126.655 121.223 0.204 0.000 2.325 102 L HA 0.646 4.985 4.340 -0.000 0.000 0.281 102 L C 0.082 177.151 176.870 0.331 0.000 1.004 102 L CA -0.354 54.653 54.840 0.278 0.000 0.823 102 L CB 2.183 44.346 42.059 0.174 0.000 1.236 102 L HN 0.765 nan 8.230 nan 0.000 0.415 103 T N -0.094 114.686 114.554 0.377 0.000 2.809 103 T HA 0.730 5.079 4.350 -0.000 0.000 0.284 103 T C -0.012 174.810 174.700 0.202 0.000 0.992 103 T CA -0.699 61.587 62.100 0.310 0.000 0.957 103 T CB 1.881 70.970 68.868 0.368 0.000 0.942 103 T HN 0.602 nan 8.240 nan 0.000 0.439 104 A N 2.817 125.727 122.820 0.149 0.000 2.407 104 A HA 0.589 4.909 4.320 -0.000 0.000 0.248 104 A C 0.101 177.722 177.584 0.063 0.000 1.082 104 A CA -0.285 51.815 52.037 0.106 0.000 0.785 104 A CB 0.180 19.235 19.000 0.092 0.000 1.020 104 A HN 0.924 nan 8.150 nan 0.000 0.489 105 D N -0.448 119.976 120.400 0.040 0.000 2.552 105 D HA 0.535 5.174 4.640 -0.000 0.000 0.239 105 D C -0.295 176.008 176.300 0.005 0.000 1.139 105 D CA -0.608 53.392 54.000 0.001 0.000 0.914 105 D CB 1.317 42.095 40.800 -0.036 0.000 1.461 105 D HN 0.413 nan 8.370 nan 0.000 0.462 106 R N 1.136 121.631 120.500 -0.008 0.000 2.738 106 R HA 0.340 4.680 4.340 -0.000 0.000 0.268 106 R C -1.765 174.542 176.300 0.012 0.000 1.062 106 R CA -0.664 55.438 56.100 0.003 0.000 1.158 106 R CB 0.157 30.456 30.300 -0.002 0.000 1.046 106 R HN 0.312 nan 8.270 nan 0.000 0.493 107 P HA 0.080 nan 4.420 nan 0.000 0.277 107 P C -0.159 177.216 177.300 0.125 0.000 1.271 107 P CA -0.220 62.944 63.100 0.107 0.000 0.795 107 P CB 0.553 32.308 31.700 0.093 0.000 1.101 108 H N 0.327 119.408 119.070 0.017 0.000 2.321 108 H HA -0.187 4.369 4.556 -0.001 0.000 0.295 108 H C 1.760 177.100 175.328 0.020 0.000 1.102 108 H CA 2.347 58.412 56.048 0.029 0.000 1.266 108 H CB -0.595 29.179 29.762 0.021 0.000 1.363 108 H HN 0.551 nan 8.280 nan 0.000 0.492 109 E N 0.966 121.251 120.200 0.142 0.000 2.515 109 E HA -0.104 4.246 4.350 -0.000 0.000 0.201 109 E C 0.937 177.565 176.600 0.047 0.000 1.071 109 E CA 0.709 57.153 56.400 0.074 0.000 0.880 109 E CB -0.152 29.576 29.700 0.046 0.000 0.828 109 E HN 0.516 nan 8.360 nan 0.000 0.540 110 L N 0.418 121.667 121.223 0.044 0.000 3.069 110 L HA 0.301 4.640 4.340 -0.000 0.000 0.271 110 L C 0.529 177.407 176.870 0.013 0.000 1.201 110 L CA -0.283 54.571 54.840 0.023 0.000 1.015 110 L CB 0.470 42.539 42.059 0.017 0.000 1.371 110 L HN -0.139 nan 8.230 nan 0.000 0.574 111 R N 0.476 120.986 120.500 0.016 0.000 2.604 111 R HA 0.327 4.666 4.340 -0.000 0.000 0.287 111 R C 0.009 176.318 176.300 0.015 0.000 0.970 111 R CA -0.680 55.422 56.100 0.003 0.000 0.946 111 R CB 1.229 31.520 30.300 -0.015 0.000 1.127 111 R HN -0.048 nan 8.270 nan 0.000 0.473 112 E N -0.253 119.954 120.200 0.011 0.000 3.170 112 E HA -0.138 4.212 4.350 -0.000 0.000 0.284 112 E C 0.294 176.900 176.600 0.009 0.000 0.967 112 E CA 1.397 57.805 56.400 0.014 0.000 0.919 112 E CB -1.639 28.076 29.700 0.025 0.000 1.469 112 E HN 0.521 nan 8.360 nan 0.000 0.444 113 V N -4.432 115.486 119.914 0.007 0.000 2.991 113 V HA 0.639 4.759 4.120 -0.000 0.000 0.355 113 V C 1.131 177.226 176.094 0.002 0.000 1.384 113 V CA 0.474 62.777 62.300 0.006 0.000 1.171 113 V CB 0.499 32.328 31.823 0.010 0.000 1.190 113 V HN 0.510 nan 8.190 nan 0.000 0.540 114 G N 0.607 109.406 108.800 -0.002 0.000 2.221 114 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.265 114 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.265 114 G C 0.424 175.321 174.900 -0.005 0.000 1.041 114 G CA 0.445 45.542 45.100 -0.005 0.000 0.807 114 G HN 1.751 nan 8.290 nan 0.000 0.502 115 A N 0.316 123.134 122.820 -0.004 0.000 2.386 115 A HA 0.698 5.018 4.320 -0.000 0.000 0.248 115 A C -1.016 176.563 177.584 -0.008 0.000 1.082 115 A CA -0.711 51.323 52.037 -0.004 0.000 0.789 115 A CB 0.302 19.301 19.000 -0.002 0.000 1.025 115 A HN 0.304 nan 8.150 nan 0.000 0.490 116 P HA 0.097 nan 4.420 nan 0.000 0.267 116 P C -0.048 177.245 177.300 -0.013 0.000 1.205 116 P CA 0.240 63.335 63.100 -0.009 0.000 0.765 116 P CB 0.940 32.636 31.700 -0.007 0.000 0.828 117 Q N -0.143 119.646 119.800 -0.017 0.000 2.362 117 Q HA -0.230 4.109 4.340 -0.000 0.000 0.220 117 Q C -0.522 175.461 176.000 -0.028 0.000 0.713 117 Q CA 0.891 56.680 55.803 -0.023 0.000 1.345 117 Q CB -1.411 27.316 28.738 -0.019 0.000 1.570 117 Q HN 0.705 nan 8.270 nan 0.000 0.701 118 A N 1.148 123.952 122.820 -0.026 0.000 2.260 118 A HA 0.681 5.001 4.320 -0.000 0.000 0.308 118 A C 0.082 177.641 177.584 -0.040 0.000 1.254 118 A CA -0.310 51.708 52.037 -0.032 0.000 0.874 118 A CB 0.266 19.252 19.000 -0.024 0.000 1.153 118 A HN 0.466 nan 8.150 nan 0.000 0.527 119 I N -0.228 120.308 120.570 -0.057 0.000 3.108 119 I HA 0.585 4.755 4.170 -0.000 0.000 0.312 119 I C -0.365 175.703 176.117 -0.082 0.000 1.095 119 I CA -1.241 60.020 61.300 -0.065 0.000 1.000 119 I CB 2.039 39.992 38.000 -0.079 0.000 1.229 119 I HN 0.471 nan 8.210 nan 0.000 0.454 120 N N 2.356 121.013 118.700 -0.072 0.000 2.399 120 N HA 0.152 4.891 4.740 -0.000 0.000 0.259 120 N C -0.148 175.282 175.510 -0.133 0.000 1.160 120 N CA 0.256 53.265 53.050 -0.068 0.000 0.946 120 N CB 0.737 39.226 38.487 0.002 0.000 1.156 120 N HN 0.689 nan 8.380 nan 0.000 0.489 121 Q N 1.508 121.169 119.800 -0.231 0.000 2.247 121 Q HA 0.105 4.444 4.340 -0.000 0.000 0.211 121 Q C -0.406 175.496 176.000 -0.162 0.000 0.861 121 Q CA -0.218 55.473 55.803 -0.187 0.000 0.949 121 Q CB 0.332 29.006 28.738 -0.106 0.000 1.115 121 Q HN 0.648 nan 8.270 nan 0.000 0.507 122 H N 0.201 119.243 119.070 -0.048 0.000 2.899 122 H HA -0.025 4.531 4.556 -0.000 0.000 0.303 122 H C -0.003 175.063 175.328 -0.437 0.000 1.042 122 H CA 0.269 56.210 56.048 -0.179 0.000 1.479 122 H CB 0.074 29.877 29.762 0.069 0.000 1.493 122 H HN 0.199 nan 8.280 nan 0.000 0.534 123 F N 0.267 119.370 119.950 -1.411 0.000 3.100 123 F HA -0.281 4.246 4.527 -0.000 0.000 0.283 123 F C 1.594 177.128 175.800 -0.443 0.000 0.900 123 F CA 0.040 57.476 58.000 -0.940 0.000 1.010 123 F CB -1.586 37.097 39.000 -0.530 0.000 1.029 123 F HN 0.426 nan 8.300 nan 0.000 0.637 124 L N -0.253 120.779 121.223 -0.319 0.000 2.034 124 L HA -0.221 4.119 4.340 -0.000 0.000 0.217 124 L C 1.857 178.410 176.870 -0.528 0.000 1.077 124 L CA 2.271 56.810 54.840 -0.502 0.000 0.769 124 L CB -0.578 40.993 42.059 -0.814 0.000 0.890 124 L HN 0.225 nan 8.230 nan 0.000 0.435 125 F N -0.320 119.663 119.950 0.054 0.000 2.660 125 F HA 0.451 4.978 4.527 -0.001 0.000 0.302 125 F C 1.740 177.753 175.800 0.356 0.000 1.103 125 F CA 0.211 58.362 58.000 0.251 0.000 1.340 125 F CB -0.830 38.339 39.000 0.281 0.000 1.048 125 F HN 0.262 nan 8.300 nan 0.000 0.551 126 G N 1.622 110.587 108.800 0.274 0.000 2.583 126 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.292 126 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.292 126 G C 0.707 175.674 174.900 0.112 0.000 1.203 126 G CA 0.596 45.786 45.100 0.149 0.000 0.987 126 G HN 0.429 nan 8.290 nan 0.000 0.554 127 N N 0.360 118.989 118.700 -0.119 0.000 2.268 127 N HA 0.362 5.101 4.740 -0.000 0.000 0.204 127 N C 1.441 176.743 175.510 -0.346 0.000 1.124 127 N CA -0.019 52.934 53.050 -0.162 0.000 0.838 127 N CB 0.029 38.387 38.487 -0.214 0.000 0.994 127 N HN 0.379 nan 8.380 nan 0.000 0.489 128 F N 0.141 120.015 119.950 -0.127 0.000 2.546 128 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 128 F C 0.832 176.609 175.800 -0.039 0.000 1.120 128 F CA 0.192 57.980 58.000 -0.353 0.000 1.456 128 F CB 0.276 39.183 39.000 -0.155 0.000 1.088 128 F HN -0.088 nan 8.300 nan 0.000 0.572 129 V N 0.945 121.001 119.914 0.237 0.000 2.555 129 V HA 0.138 4.258 4.120 -0.000 0.000 0.302 129 V C 0.738 176.983 176.094 0.252 0.000 1.038 129 V CA -0.858 61.605 62.300 0.272 0.000 0.887 129 V CB 1.971 34.012 31.823 0.362 0.000 0.991 129 V HN 0.220 nan 8.190 nan 0.000 0.434 130 K N 4.617 125.173 120.400 0.259 0.000 2.379 130 K HA 0.161 4.481 4.320 -0.000 0.000 0.194 130 K C -0.142 176.656 176.600 0.329 0.000 1.031 130 K CA 0.373 56.808 56.287 0.247 0.000 1.037 130 K CB 0.402 33.023 32.500 0.200 0.000 0.824 130 K HN 0.372 nan 8.250 nan 0.000 0.516 131 F N 1.209 121.270 119.950 0.185 0.000 2.557 131 F HA 0.491 5.018 4.527 -0.000 0.000 0.316 131 F C -1.941 174.000 175.800 0.233 0.000 1.141 131 F CA -1.752 56.352 58.000 0.174 0.000 0.922 131 F CB 1.720 40.788 39.000 0.113 0.000 1.194 131 F HN -0.027 nan 8.300 nan 0.000 0.443 132 F N 4.898 124.401 119.950 -0.745 0.000 2.569 132 F HA 0.730 5.257 4.527 -0.001 0.000 0.312 132 F C -1.265 173.962 175.800 -0.955 0.000 1.109 132 F CA -0.189 57.382 58.000 -0.715 0.000 0.919 132 F CB 2.063 40.777 39.000 -0.477 0.000 1.211 132 F HN 0.582 nan 8.300 nan 0.000 0.446 133 T N 3.697 117.046 114.554 -2.008 0.000 2.932 133 T HA 0.244 4.594 4.350 -0.000 0.000 0.318 133 T C -2.108 171.709 174.700 -1.472 0.000 1.265 133 T CA -0.551 60.600 62.100 -1.580 0.000 1.036 133 T CB 1.371 69.832 68.868 -0.678 0.000 1.209 133 T HN 0.730 nan 8.240 nan 0.000 0.484 134 D N 2.519 122.424 120.400 -0.824 0.000 2.411 134 D HA 0.400 5.040 4.640 -0.000 0.000 0.225 134 D C 0.541 176.771 176.300 -0.117 0.000 1.156 134 D CA -0.207 53.612 54.000 -0.301 0.000 0.874 134 D CB 0.509 41.352 40.800 0.072 0.000 1.034 134 D HN 0.533 nan 8.370 nan 0.000 0.502 135 S N 2.532 118.176 115.700 -0.092 0.000 2.573 135 S HA 0.406 4.875 4.470 -0.000 0.000 0.277 135 S C 0.677 175.375 174.600 0.163 0.000 1.346 135 S CA -0.751 57.492 58.200 0.071 0.000 1.034 135 S CB 1.108 64.287 63.200 -0.035 0.000 0.879 135 S HN 0.603 nan 8.310 nan 0.000 0.528 136 A N 2.799 125.779 122.820 0.268 0.000 2.507 136 A HA 0.310 4.629 4.320 -0.000 0.000 0.235 136 A C 0.641 178.245 177.584 0.032 0.000 1.070 136 A CA -0.503 51.596 52.037 0.103 0.000 0.768 136 A CB -0.408 18.565 19.000 -0.045 0.000 1.011 136 A HN 0.899 nan 8.150 nan 0.000 0.502 137 L N 2.228 123.424 121.223 -0.044 0.000 2.559 137 L HA 0.068 4.408 4.340 -0.000 0.000 0.282 137 L C -1.826 174.801 176.870 -0.405 0.000 1.232 137 L CA -1.058 53.700 54.840 -0.136 0.000 0.885 137 L CB 0.051 42.041 42.059 -0.114 0.000 1.131 137 L HN 0.476 nan 8.230 nan 0.000 0.498 138 P HA 0.052 nan 4.420 nan 0.000 0.264 138 P C -0.998 175.948 177.300 -0.591 0.000 1.193 138 P CA 0.337 62.798 63.100 -1.064 0.000 0.763 138 P CB 0.544 31.931 31.700 -0.521 0.000 0.810 139 E N 1.693 121.556 120.200 -0.561 0.000 2.433 139 E HA 0.277 4.627 4.350 -0.000 0.000 0.273 139 E C -0.220 176.381 176.600 0.002 0.000 0.950 139 E CA -0.678 55.616 56.400 -0.177 0.000 0.796 139 E CB 1.669 31.300 29.700 -0.115 0.000 1.330 139 E HN 0.457 nan 8.360 nan 0.000 0.455 140 E N -0.619 119.610 120.200 0.048 0.000 2.876 140 E HA 0.147 4.496 4.350 -0.000 0.000 0.208 140 E C -0.478 176.167 176.600 0.074 0.000 0.981 140 E CA -0.325 56.143 56.400 0.115 0.000 1.174 140 E CB 0.587 30.374 29.700 0.145 0.000 1.047 140 E HN 0.318 nan 8.360 nan 0.000 0.477 141 S N 0.616 116.347 115.700 0.053 0.000 2.572 141 S HA 0.146 4.616 4.470 -0.000 0.000 0.279 141 S C -1.537 173.093 174.600 0.050 0.000 1.341 141 S CA -0.998 57.224 58.200 0.036 0.000 1.043 141 S CB 1.037 64.249 63.200 0.019 0.000 0.887 141 S HN -0.141 nan 8.310 nan 0.000 0.516 142 P HA -0.172 nan 4.420 nan 0.000 0.216 142 P C 1.647 178.976 177.300 0.048 0.000 1.153 142 P CA 1.271 64.391 63.100 0.034 0.000 0.858 142 P CB 0.047 31.762 31.700 0.025 0.000 0.789 143 Q N -1.133 118.697 119.800 0.050 0.000 2.079 143 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 143 Q C 1.948 178.008 176.000 0.100 0.000 0.974 143 Q CA 1.727 57.567 55.803 0.062 0.000 0.840 143 Q CB -0.855 27.907 28.738 0.040 0.000 0.898 143 Q HN 0.061 nan 8.270 nan 0.000 0.430 144 M N -0.401 119.264 119.600 0.109 0.000 2.296 144 M HA -0.052 4.427 4.480 -0.000 0.000 0.265 144 M C 1.903 178.365 176.300 0.269 0.000 1.064 144 M CA 1.080 56.508 55.300 0.213 0.000 1.109 144 M CB -0.795 31.914 32.600 0.182 0.000 1.396 144 M HN 0.259 nan 8.290 nan 0.000 0.430 145 L N -1.041 120.270 121.223 0.147 0.000 2.217 145 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 145 L C 2.577 179.398 176.870 -0.082 0.000 1.107 145 L CA 0.740 55.608 54.840 0.046 0.000 0.783 145 L CB -0.521 41.560 42.059 0.038 0.000 0.919 145 L HN 0.286 nan 8.230 nan 0.000 0.442 146 R N -0.776 119.691 120.500 -0.054 0.000 2.090 146 R HA -0.186 4.154 4.340 -0.000 0.000 0.228 146 R C 2.322 178.559 176.300 -0.105 0.000 1.110 146 R CA 1.487 57.482 56.100 -0.175 0.000 0.973 146 R CB -0.425 29.892 30.300 0.028 0.000 0.869 146 R HN 0.289 nan 8.270 nan 0.000 0.440 147 Y N 1.077 121.333 120.300 -0.074 0.000 2.181 147 Y HA -0.213 4.336 4.550 -0.001 0.000 0.288 147 Y C 1.984 177.826 175.900 -0.097 0.000 1.146 147 Y CA 1.338 59.413 58.100 -0.040 0.000 1.164 147 Y CB -0.203 38.263 38.460 0.011 0.000 0.982 147 Y HN -0.077 nan 8.280 nan 0.000 0.515 148 I N 0.599 120.940 120.570 -0.382 0.000 2.500 148 I HA -0.114 4.056 4.170 -0.000 0.000 0.252 148 I C 2.330 178.231 176.117 -0.360 0.000 1.142 148 I CA 1.109 62.040 61.300 -0.615 0.000 1.451 148 I CB -0.512 36.991 38.000 -0.828 0.000 1.093 148 I HN 0.153 nan 8.210 nan 0.000 0.430 149 R N -0.706 119.603 120.500 -0.317 0.000 2.075 149 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 149 R C 2.092 178.246 176.300 -0.244 0.000 1.126 149 R CA 1.858 57.782 56.100 -0.294 0.000 0.963 149 R CB -0.803 29.250 30.300 -0.412 0.000 0.858 149 R HN 0.323 nan 8.270 nan 0.000 0.435 150 T N 1.983 116.409 114.554 -0.213 0.000 2.788 150 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 150 T C 1.727 176.335 174.700 -0.154 0.000 1.044 150 T CA 0.954 63.011 62.100 -0.071 0.000 1.139 150 T CB -0.199 68.675 68.868 0.009 0.000 0.867 150 T HN 0.055 nan 8.240 nan 0.000 0.454 151 L N 1.570 122.643 121.223 -0.250 0.000 2.017 151 L HA 0.090 4.430 4.340 -0.000 0.000 0.208 151 L C 2.616 179.430 176.870 -0.093 0.000 1.073 151 L CA 1.869 56.597 54.840 -0.186 0.000 0.745 151 L CB -1.250 40.593 42.059 -0.361 0.000 0.894 151 L HN 0.222 nan 8.230 nan 0.000 0.432 152 A N -1.229 121.466 122.820 -0.208 0.000 1.865 152 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 152 A C 2.348 179.602 177.584 -0.550 0.000 1.191 152 A CA 2.259 53.807 52.037 -0.814 0.000 0.623 152 A CB -1.064 17.055 19.000 -1.468 0.000 0.826 152 A HN 0.563 nan 8.150 nan 0.000 0.444 153 S N -0.814 114.680 115.700 -0.344 0.000 2.383 153 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 153 S C 2.022 176.530 174.600 -0.153 0.000 1.026 153 S CA 1.254 59.334 58.200 -0.200 0.000 0.981 153 S CB -0.323 62.804 63.200 -0.121 0.000 0.818 153 S HN 0.648 nan 8.310 nan 0.000 0.472 154 R N 1.421 121.813 120.500 -0.181 0.000 2.066 154 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 154 R C 2.453 178.555 176.300 -0.330 0.000 1.131 154 R CA 1.201 57.148 56.100 -0.256 0.000 0.955 154 R CB -0.530 29.586 30.300 -0.307 0.000 0.851 154 R HN 0.378 nan 8.270 nan 0.000 0.432 155 A N 0.976 123.675 122.820 -0.202 0.000 1.883 155 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 155 A C 2.395 180.009 177.584 0.050 0.000 1.186 155 A CA 1.964 54.004 52.037 0.005 0.000 0.624 155 A CB -1.001 18.203 19.000 0.341 0.000 0.822 155 A HN 0.556 nan 8.150 nan 0.000 0.444 156 A N -0.642 122.233 122.820 0.091 0.000 1.883 156 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 156 A C 2.462 180.040 177.584 -0.010 0.000 1.186 156 A CA 2.149 54.228 52.037 0.070 0.000 0.624 156 A CB -1.490 17.560 19.000 0.083 0.000 0.822 156 A HN 0.820 nan 8.150 nan 0.000 0.444 157 G N -0.654 108.110 108.800 -0.060 0.000 2.418 157 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 157 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 157 G C 1.423 176.279 174.900 -0.074 0.000 1.158 157 G CA 0.943 45.999 45.100 -0.073 0.000 0.771 157 G HN 0.539 nan 8.290 nan 0.000 0.545 158 E N 0.893 121.026 120.200 -0.112 0.000 2.072 158 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 158 E C 2.987 179.590 176.600 0.005 0.000 0.985 158 E CA 0.935 57.294 56.400 -0.067 0.000 0.801 158 E CB -0.440 29.190 29.700 -0.116 0.000 0.750 158 E HN 0.362 nan 8.360 nan 0.000 0.452 159 A N 1.313 124.144 122.820 0.018 0.000 1.917 159 A HA -0.265 4.054 4.320 -0.000 0.000 0.219 159 A C 2.106 179.685 177.584 -0.009 0.000 1.182 159 A CA 1.820 53.868 52.037 0.019 0.000 0.633 159 A CB -0.566 18.441 19.000 0.011 0.000 0.819 159 A HN 0.196 nan 8.150 nan 0.000 0.448 160 Q N -0.781 119.007 119.800 -0.019 0.000 2.378 160 Q HA 0.031 4.371 4.340 -0.000 0.000 0.205 160 Q C 0.838 176.824 176.000 -0.024 0.000 0.954 160 Q CA 0.273 56.060 55.803 -0.027 0.000 0.901 160 Q CB 0.053 28.774 28.738 -0.029 0.000 0.981 160 Q HN 0.536 nan 8.270 nan 0.000 0.483 161 K N 1.428 121.816 120.400 -0.020 0.000 2.448 161 K HA 0.020 4.339 4.320 -0.000 0.000 0.278 161 K C -0.401 176.191 176.600 -0.014 0.000 1.009 161 K CA -0.083 56.194 56.287 -0.016 0.000 0.995 161 K CB 0.518 33.010 32.500 -0.013 0.000 0.917 161 K HN 0.069 nan 8.250 nan 0.000 0.481 162 R N 3.264 123.754 120.500 -0.017 0.000 2.784 162 R HA 0.035 4.375 4.340 -0.000 0.000 0.266 162 R C -2.006 174.276 176.300 -0.030 0.000 1.044 162 R CA -0.892 55.193 56.100 -0.025 0.000 1.151 162 R CB -0.061 30.225 30.300 -0.024 0.000 1.037 162 R HN 0.659 nan 8.270 nan 0.000 0.478 163 P HA -0.247 nan 4.420 nan 0.000 0.021 163 P C -0.442 176.827 177.300 -0.050 0.000 0.603 163 P CA 1.092 64.153 63.100 -0.064 0.000 1.036 163 P CB -0.418 31.241 31.700 -0.068 0.000 1.899 164 M N 0.949 120.519 119.600 -0.050 0.000 2.250 164 M HA 0.273 4.753 4.480 -0.000 0.000 0.337 164 M C 1.332 177.600 176.300 -0.053 0.000 1.161 164 M CA 1.664 56.938 55.300 -0.044 0.000 1.088 164 M CB 0.324 32.892 32.600 -0.053 0.000 1.639 164 M HN 0.514 nan 8.290 nan 0.000 0.447 165 G N 2.937 111.721 108.800 -0.026 0.000 2.488 165 G HA2 0.591 4.550 3.960 -0.000 0.000 0.301 165 G HA3 0.591 4.550 3.960 -0.000 0.000 0.301 165 G C -3.307 171.601 174.900 0.013 0.000 1.339 165 G CA -0.803 44.290 45.100 -0.012 0.000 0.803 165 G HN 0.391 nan 8.290 nan 0.000 0.482 166 P HA 0.509 nan 4.420 nan 0.000 0.276 166 P C -0.154 177.208 177.300 0.103 0.000 1.244 166 P CA -0.335 62.767 63.100 0.002 0.000 0.801 166 P CB 1.686 33.336 31.700 -0.083 0.000 1.006 167 V N -1.915 118.079 119.914 0.133 0.000 3.160 167 V HA 0.634 4.754 4.120 -0.000 0.000 0.310 167 V C -1.034 175.252 176.094 0.321 0.000 1.181 167 V CA -0.797 61.668 62.300 0.274 0.000 1.047 167 V CB 2.179 34.216 31.823 0.357 0.000 1.068 167 V HN 0.796 nan 8.190 nan 0.000 0.441 168 H N 0.281 119.500 119.070 0.248 0.000 2.782 168 H HA 0.770 5.326 4.556 -0.001 0.000 0.347 168 H C -2.137 173.266 175.328 0.124 0.000 1.038 168 H CA -0.598 55.617 56.048 0.279 0.000 1.255 168 H CB 2.312 32.393 29.762 0.531 0.000 1.623 168 H HN 0.677 nan 8.280 nan 0.000 0.525 169 V N 5.027 124.988 119.914 0.079 0.000 2.409 169 V HA 0.104 4.224 4.120 -0.000 0.000 0.291 169 V C 0.023 176.005 176.094 -0.186 0.000 1.020 169 V CA -0.885 61.313 62.300 -0.170 0.000 0.848 169 V CB 1.297 33.237 31.823 0.195 0.000 0.990 169 V HN 0.706 nan 8.190 nan 0.000 0.430 170 N N 3.972 122.402 118.700 -0.449 0.000 2.434 170 N HA 0.424 5.163 4.740 -0.000 0.000 0.272 170 N C -0.924 174.544 175.510 -0.071 0.000 1.040 170 N CA -0.202 52.754 53.050 -0.157 0.000 0.956 170 N CB 1.598 40.011 38.487 -0.124 0.000 1.108 170 N HN 0.388 nan 8.380 nan 0.000 0.481 171 V N 6.231 126.168 119.914 0.038 0.000 2.266 171 V HA 0.407 4.527 4.120 -0.000 0.000 0.271 171 V C -2.128 174.001 176.094 0.058 0.000 1.032 171 V CA -1.513 60.821 62.300 0.056 0.000 0.806 171 V CB 0.871 32.772 31.823 0.130 0.000 1.052 171 V HN 0.701 nan 8.190 nan 0.000 0.449 172 P HA 0.428 nan 4.420 nan 0.000 0.280 172 P C -0.948 176.383 177.300 0.053 0.000 1.244 172 P CA -0.173 62.952 63.100 0.041 0.000 0.784 172 P CB 1.504 33.233 31.700 0.048 0.000 0.913 173 L N 2.486 123.737 121.223 0.045 0.000 2.470 173 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 173 L C 0.454 177.339 176.870 0.026 0.000 0.964 173 L CA -0.752 54.111 54.840 0.039 0.000 0.839 173 L CB 2.779 44.873 42.059 0.058 0.000 1.276 173 L HN 0.311 nan 8.230 nan 0.000 0.403 174 R N 1.811 122.316 120.500 0.010 0.000 2.457 174 R HA 0.267 4.607 4.340 -0.000 0.000 0.284 174 R C -0.243 176.060 176.300 0.004 0.000 1.024 174 R CA -0.513 55.590 56.100 0.005 0.000 1.025 174 R CB 1.251 31.544 30.300 -0.011 0.000 1.063 174 R HN 0.573 nan 8.270 nan 0.000 0.493 175 E N 4.425 124.629 120.200 0.005 0.000 2.166 175 E HA 0.203 4.552 4.350 -0.000 0.000 0.279 175 E C -2.199 174.401 176.600 -0.000 0.000 1.095 175 E CA -1.644 54.759 56.400 0.005 0.000 0.888 175 E CB 0.803 30.507 29.700 0.006 0.000 1.041 175 E HN 0.350 nan 8.360 nan 0.000 0.414 176 P HA 0.241 nan 4.420 nan 0.000 0.313 176 P C -0.327 176.975 177.300 0.003 0.000 1.615 176 P CA -0.504 62.596 63.100 -0.000 0.000 1.256 176 P CB 1.470 33.167 31.700 -0.005 0.000 1.279 177 L N 0.374 121.602 121.223 0.009 0.000 2.477 177 L HA 0.282 4.622 4.340 -0.000 0.000 0.220 177 L C 0.935 177.816 176.870 0.018 0.000 1.106 177 L CA 0.287 55.138 54.840 0.019 0.000 0.851 177 L CB -0.052 42.022 42.059 0.026 0.000 0.994 177 L HN 0.377 nan 8.230 nan 0.000 0.462 178 M N 2.664 122.268 119.600 0.008 0.000 2.194 178 M HA 0.264 4.744 4.480 -0.000 0.000 0.347 178 M C -2.282 174.010 176.300 -0.013 0.000 1.439 178 M CA -2.385 52.917 55.300 0.003 0.000 1.131 178 M CB 0.256 32.855 32.600 -0.000 0.000 1.733 178 M HN -0.249 nan 8.290 nan 0.000 0.467 179 P HA 0.137 nan 4.420 nan 0.000 0.277 179 P C -1.161 176.093 177.300 -0.076 0.000 1.240 179 P CA -0.258 62.809 63.100 -0.055 0.000 0.798 179 P CB 0.536 32.204 31.700 -0.053 0.000 0.979 180 D N 2.147 122.480 120.400 -0.112 0.000 2.393 180 D HA 0.072 4.712 4.640 -0.000 0.000 0.232 180 D C 1.081 177.304 176.300 -0.129 0.000 1.192 180 D CA -0.139 53.800 54.000 -0.101 0.000 0.882 180 D CB -0.032 40.713 40.800 -0.093 0.000 1.038 180 D HN 0.218 nan 8.370 nan 0.000 0.499 181 L N 2.603 123.767 121.223 -0.100 0.000 2.465 181 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 181 L C 1.848 178.665 176.870 -0.090 0.000 1.145 181 L CA 0.722 55.495 54.840 -0.113 0.000 0.834 181 L CB -0.262 41.758 42.059 -0.066 0.000 0.944 181 L HN 0.374 nan 8.230 nan 0.000 0.451 182 S N -3.359 112.304 115.700 -0.061 0.000 2.572 182 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 182 S C 0.730 175.317 174.600 -0.021 0.000 0.963 182 S CA -0.313 57.867 58.200 -0.034 0.000 0.939 182 S CB 0.084 63.273 63.200 -0.019 0.000 0.804 182 S HN 0.201 nan 8.310 nan 0.000 0.480 183 D N 2.622 123.001 120.400 -0.035 0.000 2.772 183 D HA 0.155 4.794 4.640 -0.000 0.000 0.272 183 D C -0.597 175.756 176.300 0.088 0.000 1.314 183 D CA -0.296 53.722 54.000 0.029 0.000 0.835 183 D CB -0.560 40.258 40.800 0.030 0.000 1.080 183 D HN 0.413 nan 8.370 nan 0.000 0.482 184 E N 0.281 120.487 120.200 0.009 0.000 2.272 184 E HA -0.195 4.155 4.350 -0.000 0.000 0.160 184 E C -1.626 174.982 176.600 0.012 0.000 1.627 184 E CA 0.041 56.441 56.400 -0.001 0.000 0.641 184 E CB -0.401 29.331 29.700 0.053 0.000 1.060 184 E HN 0.422 nan 8.360 nan 0.000 0.324 185 P HA -0.189 nan 4.420 nan 0.000 0.219 185 P C 0.777 178.008 177.300 -0.115 0.000 1.146 185 P CA 1.422 64.343 63.100 -0.297 0.000 0.808 185 P CB -0.026 31.277 31.700 -0.662 0.000 0.779 186 F N -0.018 120.015 119.950 0.138 0.000 2.765 186 F HA 0.273 4.800 4.527 -0.000 0.000 0.302 186 F C 1.796 177.655 175.800 0.098 0.000 1.111 186 F CA -0.626 57.449 58.000 0.125 0.000 1.359 186 F CB -0.540 38.518 39.000 0.097 0.000 1.097 186 F HN -0.140 nan 8.300 nan 0.000 0.577 187 G N 1.990 110.912 108.800 0.205 0.000 2.224 187 G HA2 0.131 4.091 3.960 -0.000 0.000 0.239 187 G HA3 0.131 4.091 3.960 -0.000 0.000 0.239 187 G C 0.066 175.024 174.900 0.097 0.000 1.240 187 G CA -0.414 44.756 45.100 0.117 0.000 0.896 187 G HN 0.310 nan 8.290 nan 0.000 0.496 188 R N 1.967 122.515 120.500 0.080 0.000 2.607 188 R HA 0.494 4.834 4.340 -0.000 0.000 0.261 188 R C 0.880 177.206 176.300 0.043 0.000 1.051 188 R CA -0.877 55.261 56.100 0.064 0.000 1.110 188 R CB 1.246 31.588 30.300 0.071 0.000 1.158 188 R HN 0.501 nan 8.270 nan 0.000 0.543 189 M N -0.012 119.619 119.600 0.050 0.000 2.337 189 M HA 0.211 4.690 4.480 -0.000 0.000 0.256 189 M C 0.140 176.475 176.300 0.058 0.000 1.075 189 M CA 0.633 55.962 55.300 0.049 0.000 1.024 189 M CB 0.658 33.293 32.600 0.059 0.000 1.429 189 M HN 0.326 nan 8.290 nan 0.000 0.497 190 R N -0.811 119.730 120.500 0.067 0.000 2.867 190 R HA 0.466 4.806 4.340 -0.000 0.000 0.268 190 R C -0.790 175.535 176.300 0.042 0.000 1.014 190 R CA -0.658 55.474 56.100 0.053 0.000 0.946 190 R CB 1.790 32.128 30.300 0.063 0.000 1.208 190 R HN -0.147 nan 8.270 nan 0.000 0.477 191 T N 1.558 116.129 114.554 0.027 0.000 2.761 191 T HA 0.443 4.793 4.350 -0.000 0.000 0.296 191 T C 0.512 175.224 174.700 0.020 0.000 0.934 191 T CA 0.584 62.698 62.100 0.023 0.000 1.091 191 T CB 1.009 69.885 68.868 0.015 0.000 0.896 191 T HN 0.842 nan 8.240 nan 0.000 0.515 192 G N 3.761 112.575 108.800 0.024 0.000 2.584 192 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.229 192 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.229 192 G C -0.366 174.548 174.900 0.024 0.000 1.320 192 G CA -0.922 44.189 45.100 0.018 0.000 0.891 192 G HN 0.841 nan 8.290 nan 0.000 0.573 193 R N -0.360 120.147 120.500 0.011 0.000 2.698 193 R HA 0.291 4.631 4.340 -0.000 0.000 0.266 193 R C 1.399 177.722 176.300 0.038 0.000 1.026 193 R CA 0.599 56.708 56.100 0.014 0.000 1.102 193 R CB 0.279 30.573 30.300 -0.011 0.000 0.978 193 R HN 0.758 nan 8.270 nan 0.000 0.436 194 H N 1.325 120.370 119.070 -0.043 0.000 2.333 194 H HA 0.054 4.610 4.556 -0.000 0.000 0.302 194 H C -0.136 175.168 175.328 -0.041 0.000 1.075 194 H CA 1.274 57.300 56.048 -0.038 0.000 1.348 194 H CB 0.591 30.325 29.762 -0.048 0.000 1.393 194 H HN 0.216 nan 8.280 nan 0.000 0.509 195 V N 1.070 120.964 119.914 -0.032 0.000 2.686 195 V HA 0.338 4.458 4.120 -0.000 0.000 0.306 195 V C -0.455 175.609 176.094 -0.051 0.000 1.065 195 V CA -0.592 61.656 62.300 -0.086 0.000 0.894 195 V CB 1.614 33.408 31.823 -0.049 0.000 1.004 195 V HN 0.468 nan 8.190 nan 0.000 0.424 196 S N 2.937 118.604 115.700 -0.056 0.000 2.541 196 S HA 0.826 5.295 4.470 -0.000 0.000 0.283 196 S C -0.617 173.957 174.600 -0.044 0.000 1.196 196 S CA -0.699 57.475 58.200 -0.044 0.000 1.062 196 S CB 1.802 64.980 63.200 -0.037 0.000 1.009 196 S HN 0.663 nan 8.310 nan 0.000 0.502 197 V N 3.486 123.375 119.914 -0.042 0.000 2.378 197 V HA 0.440 4.560 4.120 -0.000 0.000 0.288 197 V C -0.445 175.629 176.094 -0.033 0.000 1.016 197 V CA -0.742 61.533 62.300 -0.042 0.000 0.840 197 V CB 1.407 33.199 31.823 -0.052 0.000 0.994 197 V HN 0.828 nan 8.190 nan 0.000 0.431 198 K N 3.676 124.060 120.400 -0.028 0.000 2.292 198 K HA 0.388 4.708 4.320 -0.000 0.000 0.270 198 K C 0.377 176.966 176.600 -0.019 0.000 1.062 198 K CA -0.238 56.036 56.287 -0.022 0.000 0.916 198 K CB 1.669 34.158 32.500 -0.018 0.000 1.166 198 K HN 0.862 nan 8.250 nan 0.000 0.458 199 T N -0.721 113.822 114.554 -0.018 0.000 2.882 199 T HA 0.582 4.932 4.350 -0.000 0.000 0.287 199 T C 0.602 175.297 174.700 -0.009 0.000 1.014 199 T CA -0.662 61.429 62.100 -0.015 0.000 1.049 199 T CB 1.606 70.464 68.868 -0.017 0.000 1.001 199 T HN 0.466 nan 8.240 nan 0.000 0.525 200 G N 0.009 108.807 108.800 -0.004 0.000 2.537 200 G HA2 0.569 4.528 3.960 -0.000 0.000 0.308 200 G HA3 0.569 4.528 3.960 -0.000 0.000 0.308 200 G C -0.486 174.418 174.900 0.006 0.000 1.237 200 G CA -0.737 44.364 45.100 0.002 0.000 0.968 200 G HN 0.964 nan 8.290 nan 0.000 0.481 201 T N -0.943 113.618 114.554 0.011 0.000 2.913 201 T HA 0.425 4.774 4.350 -0.000 0.000 0.287 201 T C -0.013 174.702 174.700 0.024 0.000 1.008 201 T CA -0.255 61.855 62.100 0.017 0.000 1.067 201 T CB 1.169 70.050 68.868 0.021 0.000 0.996 201 T HN 0.453 nan 8.240 nan 0.000 0.513 202 Q N 2.008 121.826 119.800 0.031 0.000 2.241 202 Q HA 0.519 4.858 4.340 -0.000 0.000 0.254 202 Q C -0.958 175.075 176.000 0.054 0.000 0.917 202 Q CA -0.504 55.324 55.803 0.041 0.000 0.919 202 Q CB 1.201 29.965 28.738 0.045 0.000 1.237 202 Q HN 0.677 nan 8.270 nan 0.000 0.434 203 S N 1.535 117.267 115.700 0.054 0.000 2.536 203 S HA 0.652 5.122 4.470 -0.000 0.000 0.298 203 S C -1.221 173.417 174.600 0.063 0.000 1.083 203 S CA -0.595 57.640 58.200 0.059 0.000 0.995 203 S CB 1.678 64.904 63.200 0.044 0.000 1.058 203 S HN 0.434 nan 8.310 nan 0.000 0.488 204 V N 3.229 123.187 119.914 0.074 0.000 2.680 204 V HA 0.421 4.541 4.120 -0.000 0.000 0.309 204 V C -0.705 175.425 176.094 0.059 0.000 1.052 204 V CA -0.985 61.355 62.300 0.067 0.000 0.908 204 V CB 2.151 34.021 31.823 0.080 0.000 1.001 204 V HN 0.988 nan 8.190 nan 0.000 0.431 205 D N 2.651 123.076 120.400 0.041 0.000 2.388 205 D HA 0.328 4.968 4.640 -0.000 0.000 0.254 205 D C 1.024 177.335 176.300 0.018 0.000 1.111 205 D CA -0.767 53.249 54.000 0.026 0.000 0.993 205 D CB 0.960 41.771 40.800 0.019 0.000 1.118 205 D HN 0.321 nan 8.370 nan 0.000 0.502 206 R N -0.280 120.222 120.500 0.004 0.000 2.094 206 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 206 R C 1.741 178.038 176.300 -0.005 0.000 1.137 206 R CA 1.879 57.974 56.100 -0.009 0.000 0.943 206 R CB -0.104 30.186 30.300 -0.016 0.000 0.850 206 R HN 0.611 nan 8.270 nan 0.000 0.433 207 E N -0.406 119.794 120.200 0.000 0.000 2.106 207 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 207 E C 1.730 178.334 176.600 0.006 0.000 0.984 207 E CA 1.546 57.947 56.400 0.001 0.000 0.806 207 E CB 0.021 29.723 29.700 0.002 0.000 0.750 207 E HN 0.456 nan 8.360 nan 0.000 0.458 208 S N 0.151 115.859 115.700 0.013 0.000 2.603 208 S HA 0.015 4.485 4.470 -0.000 0.000 0.220 208 S C 1.583 176.198 174.600 0.025 0.000 0.967 208 S CA 0.120 58.331 58.200 0.019 0.000 0.920 208 S CB 0.213 63.425 63.200 0.021 0.000 0.773 208 S HN 0.030 nan 8.310 nan 0.000 0.529 209 L N 1.218 122.454 121.223 0.023 0.000 2.556 209 L HA 0.396 4.736 4.340 -0.000 0.000 0.226 209 L C 2.211 179.081 176.870 -0.000 0.000 1.089 209 L CA 0.504 55.364 54.840 0.033 0.000 0.864 209 L CB -0.845 41.233 42.059 0.032 0.000 1.067 209 L HN 0.205 nan 8.230 nan 0.000 0.477 210 S N 0.212 115.907 115.700 -0.010 0.000 2.369 210 S HA -0.256 4.213 4.470 -0.000 0.000 0.225 210 S C 1.445 176.028 174.600 -0.029 0.000 1.043 210 S CA 1.912 60.099 58.200 -0.022 0.000 1.074 210 S CB -0.315 62.876 63.200 -0.014 0.000 0.962 210 S HN 0.494 nan 8.310 nan 0.000 0.433 211 D N 0.737 121.124 120.400 -0.021 0.000 2.154 211 D HA -0.123 4.517 4.640 -0.000 0.000 0.190 211 D C 2.008 178.258 176.300 -0.082 0.000 1.003 211 D CA 1.207 55.188 54.000 -0.032 0.000 0.849 211 D CB -0.811 39.988 40.800 -0.002 0.000 0.942 211 D HN 0.242 nan 8.370 nan 0.000 0.446 212 V N 1.048 120.894 119.914 -0.114 0.000 2.307 212 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 212 V C 2.497 178.550 176.094 -0.069 0.000 1.045 212 V CA 1.801 64.018 62.300 -0.138 0.000 1.024 212 V CB -0.861 30.926 31.823 -0.060 0.000 0.651 212 V HN 0.238 nan 8.190 nan 0.000 0.449 213 A N -0.379 122.404 122.820 -0.063 0.000 1.917 213 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 213 A C 2.154 179.700 177.584 -0.063 0.000 1.182 213 A CA 2.278 54.265 52.037 -0.082 0.000 0.633 213 A CB -0.503 18.445 19.000 -0.087 0.000 0.819 213 A HN 0.645 nan 8.150 nan 0.000 0.448 214 E N -0.426 119.744 120.200 -0.051 0.000 2.046 214 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 214 E C 2.199 178.779 176.600 -0.034 0.000 0.982 214 E CA 1.547 57.924 56.400 -0.039 0.000 0.800 214 E CB -0.320 29.362 29.700 -0.030 0.000 0.756 214 E HN 0.886 nan 8.360 nan 0.000 0.449 215 M N -0.263 119.314 119.600 -0.039 0.000 2.374 215 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 215 M C 1.751 178.045 176.300 -0.009 0.000 1.067 215 M CA 1.397 56.679 55.300 -0.030 0.000 1.103 215 M CB -0.174 32.399 32.600 -0.045 0.000 1.402 215 M HN 0.017 nan 8.290 nan 0.000 0.444 216 L N 0.726 121.946 121.223 -0.005 0.000 2.127 216 L HA 0.077 4.416 4.340 -0.000 0.000 0.203 216 L C 3.086 179.961 176.870 0.008 0.000 1.080 216 L CA 0.808 55.670 54.840 0.037 0.000 0.768 216 L CB -0.745 41.321 42.059 0.011 0.000 0.924 216 L HN 0.425 nan 8.230 nan 0.000 0.444 217 A N -0.152 122.651 122.820 -0.029 0.000 1.902 217 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 217 A C 2.164 179.738 177.584 -0.017 0.000 1.181 217 A CA 1.420 53.435 52.037 -0.036 0.000 0.623 217 A CB -0.290 18.684 19.000 -0.043 0.000 0.818 217 A HN 0.328 nan 8.150 nan 0.000 0.443 218 E N 0.104 120.296 120.200 -0.013 0.000 2.152 218 E HA 0.071 4.420 4.350 -0.000 0.000 0.192 218 E C 0.975 177.568 176.600 -0.011 0.000 0.983 218 E CA 0.793 57.185 56.400 -0.013 0.000 0.818 218 E CB -0.446 29.243 29.700 -0.017 0.000 0.758 218 E HN 0.517 nan 8.360 nan 0.000 0.467 219 A N 1.697 124.518 122.820 0.003 0.000 2.320 219 A HA 0.103 4.422 4.320 -0.000 0.000 0.287 219 A C 1.099 178.694 177.584 0.018 0.000 1.181 219 A CA -0.232 51.795 52.037 -0.016 0.000 0.831 219 A CB 0.775 19.760 19.000 -0.025 0.000 1.102 219 A HN 0.062 nan 8.150 nan 0.000 0.513 220 E N 2.387 122.542 120.200 -0.075 0.000 2.086 220 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 220 E C 0.010 176.399 176.600 -0.352 0.000 0.975 220 E CA 0.619 56.973 56.400 -0.077 0.000 0.813 220 E CB 0.022 29.670 29.700 -0.086 0.000 0.768 220 E HN 0.670 nan 8.360 nan 0.000 0.457 221 K N 1.171 121.162 120.400 -0.682 0.000 2.183 221 K HA 0.282 4.601 4.320 -0.000 0.000 0.272 221 K C -0.383 175.666 176.600 -0.918 0.000 1.113 221 K CA -0.311 55.120 56.287 -1.427 0.000 0.949 221 K CB 1.223 32.977 32.500 -1.243 0.000 1.365 221 K HN 0.073 nan 8.250 nan 0.000 0.420 222 G N 2.460 110.646 108.800 -1.023 0.000 2.563 222 G HA2 0.700 4.660 3.960 -0.000 0.000 0.302 222 G HA3 0.700 4.660 3.960 -0.000 0.000 0.302 222 G C -0.896 173.461 174.900 -0.904 0.000 1.301 222 G CA -0.874 43.388 45.100 -1.396 0.000 0.965 222 G HN 0.484 nan 8.290 nan 0.000 0.480 223 M N 0.420 119.683 119.600 -0.562 0.000 2.484 223 M HA 0.696 5.176 4.480 -0.000 0.000 0.289 223 M C -1.870 174.343 176.300 -0.145 0.000 1.206 223 M CA -0.886 54.237 55.300 -0.296 0.000 0.892 223 M CB 2.314 34.709 32.600 -0.342 0.000 1.712 223 M HN 0.290 nan 8.290 nan 0.000 0.462 224 I N 2.836 123.372 120.570 -0.058 0.000 2.359 224 I HA 0.518 4.688 4.170 -0.000 0.000 0.294 224 I C -0.822 175.250 176.117 -0.074 0.000 0.987 224 I CA -1.104 60.217 61.300 0.036 0.000 1.225 224 I CB 1.975 40.060 38.000 0.141 0.000 1.366 224 I HN 0.495 nan 8.210 nan 0.000 0.466 225 V N 5.964 125.850 119.914 -0.047 0.000 2.384 225 V HA 0.282 4.402 4.120 -0.000 0.000 0.287 225 V C -0.586 175.500 176.094 -0.014 0.000 1.020 225 V CA -0.458 61.777 62.300 -0.109 0.000 0.850 225 V CB 1.671 33.420 31.823 -0.125 0.000 0.987 225 V HN 0.841 nan 8.190 nan 0.000 0.436 226 C N 5.149 124.421 119.300 -0.048 0.000 2.356 226 C HA 0.796 5.256 4.460 -0.000 0.000 0.324 226 C C 0.969 175.945 174.990 -0.022 0.000 1.167 226 C CA -0.180 58.844 59.018 0.011 0.000 1.420 226 C CB -0.153 27.568 27.740 -0.033 0.000 2.036 226 C HN 1.057 nan 8.230 nan 0.000 0.435 227 G N 2.460 111.259 108.800 -0.002 0.000 2.531 227 G HA2 0.309 4.269 3.960 -0.000 0.000 0.253 227 G HA3 0.309 4.269 3.960 -0.000 0.000 0.253 227 G C -0.274 174.598 174.900 -0.045 0.000 1.439 227 G CA -0.269 44.818 45.100 -0.021 0.000 1.056 227 G HN 0.879 nan 8.290 nan 0.000 0.555 228 E N -0.649 119.519 120.200 -0.055 0.000 2.558 228 E HA 0.139 4.489 4.350 -0.000 0.000 0.255 228 E C -0.549 175.981 176.600 -0.116 0.000 0.968 228 E CA 0.233 56.569 56.400 -0.107 0.000 0.939 228 E CB 0.029 29.693 29.700 -0.060 0.000 0.921 228 E HN 0.195 nan 8.360 nan 0.000 0.477 229 L N 4.030 125.112 121.223 -0.233 0.000 2.354 229 L HA 0.366 4.706 4.340 -0.000 0.000 0.264 229 L C 0.571 177.208 176.870 -0.388 0.000 1.008 229 L CA -0.961 53.762 54.840 -0.195 0.000 0.819 229 L CB 1.939 43.904 42.059 -0.157 0.000 1.339 229 L HN 0.668 nan 8.230 nan 0.000 0.420 230 H N -0.776 118.279 119.070 -0.024 0.000 3.266 230 H HA 0.106 4.662 4.556 -0.000 0.000 0.246 230 H C 0.572 175.891 175.328 -0.015 0.000 0.998 230 H CA 0.054 56.096 56.048 -0.009 0.000 1.152 230 H CB 1.381 31.156 29.762 0.022 0.000 1.466 230 H HN 0.536 nan 8.280 nan 0.000 0.481 231 S N 1.516 117.263 115.700 0.078 0.000 2.531 231 S HA -0.011 4.459 4.470 -0.000 0.000 0.279 231 S C 0.952 175.543 174.600 -0.014 0.000 1.305 231 S CA -0.449 57.771 58.200 0.032 0.000 1.058 231 S CB 0.784 63.997 63.200 0.021 0.000 0.899 231 S HN 0.152 nan 8.310 nan 0.000 0.493 232 D N 4.251 124.646 120.400 -0.009 0.000 2.123 232 D HA -0.035 4.604 4.640 -0.000 0.000 0.200 232 D C 2.185 178.459 176.300 -0.044 0.000 0.976 232 D CA 1.443 55.425 54.000 -0.029 0.000 0.831 232 D CB -0.496 40.298 40.800 -0.010 0.000 0.974 232 D HN 0.704 nan 8.370 nan 0.000 0.469 233 A N 1.731 124.534 122.820 -0.029 0.000 1.869 233 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 233 A C 1.873 179.420 177.584 -0.061 0.000 1.203 233 A CA 2.166 54.182 52.037 -0.034 0.000 0.638 233 A CB -0.659 18.332 19.000 -0.016 0.000 0.831 233 A HN 0.072 nan 8.150 nan 0.000 0.450 234 D N -0.320 120.042 120.400 -0.063 0.000 2.116 234 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 234 D C 1.954 178.143 176.300 -0.185 0.000 0.998 234 D CA 1.637 55.573 54.000 -0.107 0.000 0.836 234 D CB -0.329 40.425 40.800 -0.077 0.000 0.951 234 D HN 0.564 nan 8.370 nan 0.000 0.449 235 K N 0.580 120.877 120.400 -0.172 0.000 1.991 235 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 235 K C 2.194 178.666 176.600 -0.212 0.000 1.049 235 K CA 1.317 57.469 56.287 -0.226 0.000 0.932 235 K CB -0.198 32.167 32.500 -0.224 0.000 0.717 235 K HN 0.210 nan 8.250 nan 0.000 0.441 236 E N 0.540 120.653 120.200 -0.145 0.000 2.118 236 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 236 E C 1.893 178.426 176.600 -0.111 0.000 0.992 236 E CA 0.977 57.314 56.400 -0.106 0.000 0.804 236 E CB -0.033 29.630 29.700 -0.062 0.000 0.741 236 E HN 0.267 nan 8.360 nan 0.000 0.458 237 N N 0.464 119.092 118.700 -0.121 0.000 2.216 237 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 237 N C 1.853 177.262 175.510 -0.168 0.000 1.017 237 N CA 0.775 53.755 53.050 -0.117 0.000 0.861 237 N CB 0.033 38.468 38.487 -0.087 0.000 0.986 237 N HN 0.182 nan 8.380 nan 0.000 0.428 238 I N 0.837 121.247 120.570 -0.267 0.000 2.315 238 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 238 I C 2.004 177.987 176.117 -0.223 0.000 1.117 238 I CA 0.609 61.684 61.300 -0.374 0.000 1.404 238 I CB -0.028 37.611 38.000 -0.603 0.000 1.071 238 I HN 0.019 nan 8.210 nan 0.000 0.419 239 I N 0.634 121.093 120.570 -0.185 0.000 2.113 239 I HA -0.308 3.862 4.170 -0.000 0.000 0.238 239 I C 2.831 178.898 176.117 -0.083 0.000 1.070 239 I CA 1.458 62.687 61.300 -0.119 0.000 1.332 239 I CB -0.520 37.417 38.000 -0.106 0.000 1.044 239 I HN 0.168 nan 8.210 nan 0.000 0.402 240 A N 0.610 123.381 122.820 -0.082 0.000 1.940 240 A HA -0.291 4.029 4.320 -0.000 0.000 0.221 240 A C 2.267 179.804 177.584 -0.078 0.000 1.190 240 A CA 2.182 54.178 52.037 -0.068 0.000 0.647 240 A CB -1.045 17.915 19.000 -0.066 0.000 0.821 240 A HN 0.446 nan 8.150 nan 0.000 0.457 241 L N 0.692 121.859 121.223 -0.092 0.000 2.141 241 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 241 L C 2.720 179.530 176.870 -0.101 0.000 1.094 241 L CA 2.679 57.463 54.840 -0.093 0.000 0.763 241 L CB -0.591 41.432 42.059 -0.060 0.000 0.908 241 L HN 0.534 nan 8.230 nan 0.000 0.437 242 S N -1.417 114.242 115.700 -0.068 0.000 2.368 242 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 242 S C 2.060 176.633 174.600 -0.045 0.000 1.029 242 S CA 0.970 59.148 58.200 -0.037 0.000 0.988 242 S CB -0.520 62.679 63.200 -0.001 0.000 0.838 242 S HN 0.476 nan 8.310 nan 0.000 0.462 243 K N 1.607 121.982 120.400 -0.041 0.000 2.002 243 K HA 0.024 4.344 4.320 -0.000 0.000 0.209 243 K C 2.608 179.177 176.600 -0.052 0.000 1.048 243 K CA 1.255 57.525 56.287 -0.028 0.000 0.930 243 K CB -0.662 31.825 32.500 -0.023 0.000 0.714 243 K HN 0.473 nan 8.250 nan 0.000 0.438 244 A N 1.134 123.906 122.820 -0.081 0.000 1.917 244 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 244 A C 2.038 179.535 177.584 -0.145 0.000 1.182 244 A CA 1.511 53.488 52.037 -0.101 0.000 0.633 244 A CB -0.542 18.391 19.000 -0.111 0.000 0.819 244 A HN 0.227 nan 8.150 nan 0.000 0.448 245 L N -2.119 118.961 121.223 -0.238 0.000 2.375 245 L HA 0.004 4.344 4.340 -0.000 0.000 0.215 245 L C 0.305 177.012 176.870 -0.272 0.000 1.108 245 L CA 0.152 54.732 54.840 -0.434 0.000 0.830 245 L CB 0.006 41.481 42.059 -0.974 0.000 0.959 245 L HN 0.376 nan 8.230 nan 0.000 0.457 246 Q N -0.421 119.328 119.800 -0.085 0.000 2.470 246 Q HA -0.221 4.119 4.340 -0.000 0.000 0.294 246 Q C -1.345 174.862 176.000 0.344 0.000 1.356 246 Q CA 0.824 56.691 55.803 0.107 0.000 0.805 246 Q CB -2.007 26.816 28.738 0.142 0.000 1.157 246 Q HN 0.294 nan 8.270 nan 0.000 0.431 247 Y N 0.263 120.627 120.300 0.107 0.000 2.361 247 Y HA 0.460 5.010 4.550 -0.001 0.000 0.332 247 Y C -1.608 174.277 175.900 -0.025 0.000 1.101 247 Y CA -3.056 55.109 58.100 0.109 0.000 1.137 247 Y CB 0.607 39.109 38.460 0.069 0.000 1.207 247 Y HN 0.001 nan 8.280 nan 0.000 0.463 248 P HA 0.194 nan 4.420 nan 0.000 0.272 248 P C -0.479 176.706 177.300 -0.191 0.000 1.223 248 P CA 0.146 63.116 63.100 -0.216 0.000 0.784 248 P CB 1.299 32.588 31.700 -0.684 0.000 0.923 249 I N 2.478 122.963 120.570 -0.141 0.000 2.355 249 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 249 I C 0.510 176.511 176.117 -0.194 0.000 0.999 249 I CA -0.880 60.338 61.300 -0.136 0.000 1.163 249 I CB 1.006 38.960 38.000 -0.077 0.000 1.316 249 I HN 0.068 nan 8.210 nan 0.000 0.454 250 L N 6.414 127.432 121.223 -0.341 0.000 2.407 250 L HA 0.339 4.679 4.340 -0.000 0.000 0.282 250 L C 0.622 177.254 176.870 -0.397 0.000 1.110 250 L CA -0.173 54.305 54.840 -0.605 0.000 0.863 250 L CB 0.320 41.772 42.059 -1.011 0.000 1.207 250 L HN 0.639 nan 8.230 nan 0.000 0.454 251 A N 3.158 125.936 122.820 -0.071 0.000 2.260 251 A HA 0.284 4.604 4.320 -0.000 0.000 0.312 251 A C -0.207 177.486 177.584 0.181 0.000 1.321 251 A CA -0.602 51.458 52.037 0.038 0.000 0.928 251 A CB 0.398 19.428 19.000 0.051 0.000 1.158 251 A HN 0.725 nan 8.150 nan 0.000 0.542 252 D N 3.414 123.868 120.400 0.090 0.000 2.382 252 D HA 0.302 4.942 4.640 -0.000 0.000 0.245 252 D C -1.419 174.891 176.300 0.015 0.000 1.120 252 D CA -1.198 52.864 54.000 0.102 0.000 0.890 252 D CB 1.094 41.909 40.800 0.026 0.000 1.201 252 D HN 0.212 nan 8.370 nan 0.000 0.433 253 P HA -0.201 nan 4.420 nan 0.000 0.218 253 P C 0.959 178.198 177.300 -0.102 0.000 1.152 253 P CA 0.850 63.908 63.100 -0.069 0.000 0.857 253 P CB 0.148 31.758 31.700 -0.151 0.000 0.787 254 L N -0.917 120.235 121.223 -0.118 0.000 2.478 254 L HA -0.008 4.332 4.340 -0.000 0.000 0.223 254 L C 2.193 178.949 176.870 -0.191 0.000 1.140 254 L CA 1.471 56.212 54.840 -0.166 0.000 0.842 254 L CB -1.659 40.314 42.059 -0.143 0.000 0.953 254 L HN 0.046 nan 8.230 nan 0.000 0.452 255 S N -1.453 114.162 115.700 -0.142 0.000 2.453 255 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 255 S C 1.089 175.577 174.600 -0.187 0.000 1.005 255 S CA 0.461 58.567 58.200 -0.158 0.000 0.949 255 S CB -0.403 62.728 63.200 -0.115 0.000 0.774 255 S HN 0.526 nan 8.310 nan 0.000 0.510 256 N N 0.581 119.183 118.700 -0.164 0.000 2.725 256 N HA -0.128 4.612 4.740 -0.000 0.000 0.249 256 N C 0.152 175.594 175.510 -0.113 0.000 1.103 256 N CA 0.981 53.934 53.050 -0.162 0.000 0.707 256 N CB -1.685 36.674 38.487 -0.214 0.000 1.043 256 N HN 0.525 nan 8.380 nan 0.000 0.553 257 L N -0.474 120.692 121.223 -0.095 0.000 2.592 257 L HA 0.099 4.439 4.340 -0.000 0.000 0.227 257 L C 2.089 179.063 176.870 0.174 0.000 1.127 257 L CA 0.169 54.965 54.840 -0.074 0.000 0.884 257 L CB 0.045 42.014 42.059 -0.150 0.000 1.065 257 L HN 0.094 nan 8.230 nan 0.000 0.457 258 R N 0.768 121.317 120.500 0.081 0.000 2.246 258 R HA 0.074 4.414 4.340 -0.000 0.000 0.199 258 R C 0.020 176.322 176.300 0.003 0.000 0.984 258 R CA 0.440 56.589 56.100 0.082 0.000 1.015 258 R CB 0.051 30.410 30.300 0.099 0.000 0.930 258 R HN 0.430 nan 8.270 nan 0.000 0.475 259 N N 0.375 119.024 118.700 -0.085 0.000 2.664 259 N HA 0.329 5.069 4.740 -0.000 0.000 0.257 259 N C -0.616 174.747 175.510 -0.246 0.000 1.108 259 N CA -0.256 52.615 53.050 -0.298 0.000 0.822 259 N CB 2.074 40.066 38.487 -0.824 0.000 1.199 259 N HN 0.105 nan 8.380 nan 0.000 0.529 260 G N -0.722 107.911 108.800 -0.279 0.000 2.349 260 G HA2 0.235 4.195 3.960 -0.000 0.000 0.294 260 G HA3 0.235 4.195 3.960 -0.000 0.000 0.294 260 G C 0.305 174.908 174.900 -0.495 0.000 1.380 260 G CA -0.336 44.594 45.100 -0.283 0.000 0.811 260 G HN 0.252 nan 8.290 nan 0.000 0.519 261 V N -1.161 118.594 119.914 -0.266 0.000 3.306 261 V HA 0.191 4.311 4.120 -0.000 0.000 0.264 261 V C 1.391 177.366 176.094 -0.197 0.000 1.149 261 V CA 1.225 63.408 62.300 -0.195 0.000 1.143 261 V CB -1.647 30.133 31.823 -0.072 0.000 0.767 261 V HN 0.917 nan 8.190 nan 0.000 0.476 262 H N 0.566 119.614 119.070 -0.037 0.000 2.964 262 H HA 0.072 4.627 4.556 -0.001 0.000 0.368 262 H C -0.380 174.931 175.328 -0.028 0.000 1.212 262 H CA 0.325 56.351 56.048 -0.036 0.000 1.421 262 H CB 0.149 29.881 29.762 -0.050 0.000 1.385 262 H HN 0.336 nan 8.280 nan 0.000 0.614 263 D N 0.858 121.331 120.400 0.121 0.000 2.382 263 D HA 0.006 4.646 4.640 -0.000 0.000 0.259 263 D C 0.158 176.535 176.300 0.129 0.000 1.224 263 D CA 0.047 54.090 54.000 0.071 0.000 0.894 263 D CB 0.416 41.246 40.800 0.050 0.000 1.127 263 D HN 0.524 nan 8.370 nan 0.000 0.487 264 K N 1.400 121.843 120.400 0.072 0.000 2.372 264 K HA 0.017 4.336 4.320 -0.000 0.000 0.200 264 K C 1.797 178.442 176.600 0.074 0.000 1.022 264 K CA -0.028 56.318 56.287 0.097 0.000 1.125 264 K CB 0.385 32.915 32.500 0.049 0.000 0.855 264 K HN 0.358 nan 8.250 nan 0.000 0.524 265 S N -0.130 115.606 115.700 0.060 0.000 2.400 265 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 265 S C 1.834 176.476 174.600 0.069 0.000 1.025 265 S CA 1.544 59.780 58.200 0.060 0.000 0.993 265 S CB -0.341 62.889 63.200 0.050 0.000 0.808 265 S HN 0.093 nan 8.310 nan 0.000 0.478 266 T N 1.413 116.004 114.554 0.061 0.000 3.067 266 T HA 0.256 4.606 4.350 -0.000 0.000 0.257 266 T C 0.427 175.156 174.700 0.047 0.000 1.105 266 T CA 0.149 62.280 62.100 0.051 0.000 1.104 266 T CB -0.110 68.777 68.868 0.033 0.000 0.925 266 T HN 0.226 nan 8.240 nan 0.000 0.498 267 V N 3.746 123.700 119.914 0.067 0.000 2.508 267 V HA 0.175 4.295 4.120 -0.000 0.000 0.281 267 V C 0.024 176.188 176.094 0.118 0.000 1.041 267 V CA -0.342 62.004 62.300 0.076 0.000 1.016 267 V CB 0.504 32.387 31.823 0.100 0.000 0.984 267 V HN 0.293 nan 8.190 nan 0.000 0.478 268 I N 5.313 125.961 120.570 0.131 0.000 2.354 268 I HA 0.342 4.511 4.170 -0.000 0.000 0.292 268 I C 0.518 176.839 176.117 0.340 0.000 0.989 268 I CA -0.441 61.013 61.300 0.256 0.000 1.188 268 I CB 1.438 39.616 38.000 0.296 0.000 1.342 268 I HN 0.820 nan 8.210 nan 0.000 0.457 269 D N 3.537 124.111 120.400 0.290 0.000 2.449 269 D HA 0.125 4.765 4.640 -0.000 0.000 0.210 269 D C 1.081 177.342 176.300 -0.065 0.000 1.094 269 D CA 0.082 54.187 54.000 0.175 0.000 0.846 269 D CB 0.594 41.479 40.800 0.141 0.000 1.003 269 D HN 0.412 nan 8.370 nan 0.000 0.504 270 A N -0.030 122.786 122.820 -0.007 0.000 2.387 270 A HA 0.202 4.522 4.320 -0.000 0.000 0.234 270 A C 1.303 178.377 177.584 -0.849 0.000 1.253 270 A CA -0.203 51.649 52.037 -0.309 0.000 0.894 270 A CB -0.989 17.949 19.000 -0.103 0.000 0.963 270 A HN 0.363 nan 8.150 nan 0.000 0.508 271 Y N -0.575 119.293 120.300 -0.722 0.000 2.151 271 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 271 Y C 1.598 176.998 175.900 -0.833 0.000 1.166 271 Y CA 1.504 58.926 58.100 -1.130 0.000 1.163 271 Y CB -0.983 37.270 38.460 -0.344 0.000 0.974 271 Y HN 0.334 nan 8.280 nan 0.000 0.511 272 D N 0.320 120.175 120.400 -0.907 0.000 2.158 272 D HA -0.181 4.458 4.640 -0.000 0.000 0.197 272 D C 1.992 178.022 176.300 -0.450 0.000 0.995 272 D CA 2.032 55.721 54.000 -0.518 0.000 0.846 272 D CB -0.142 40.341 40.800 -0.528 0.000 0.941 272 D HN 0.438 nan 8.370 nan 0.000 0.456 273 S N -0.959 114.392 115.700 -0.582 0.000 2.348 273 S HA -0.055 4.415 4.470 -0.000 0.000 0.219 273 S C 1.737 176.120 174.600 -0.362 0.000 1.033 273 S CA 1.009 58.948 58.200 -0.435 0.000 0.974 273 S CB -0.535 62.362 63.200 -0.506 0.000 0.868 273 S HN 0.577 nan 8.310 nan 0.000 0.459 274 F N 0.831 120.506 119.950 -0.459 0.000 2.661 274 F HA 0.349 4.876 4.527 -0.000 0.000 0.298 274 F C 1.355 177.002 175.800 -0.255 0.000 1.137 274 F CA 0.255 58.056 58.000 -0.330 0.000 1.454 274 F CB -0.473 38.301 39.000 -0.376 0.000 1.103 274 F HN -0.005 nan 8.300 nan 0.000 0.577 275 L N 0.758 121.789 121.223 -0.321 0.000 2.599 275 L HA 0.097 4.437 4.340 -0.000 0.000 0.230 275 L C 1.565 178.283 176.870 -0.252 0.000 1.141 275 L CA 0.426 55.095 54.840 -0.285 0.000 0.877 275 L CB -0.469 41.425 42.059 -0.274 0.000 1.009 275 L HN 0.136 nan 8.230 nan 0.000 0.447 276 K N -0.031 120.266 120.400 -0.173 0.000 2.551 276 K HA -0.023 4.297 4.320 -0.000 0.000 0.192 276 K C -0.090 176.447 176.600 -0.105 0.000 1.027 276 K CA 0.157 56.374 56.287 -0.117 0.000 1.059 276 K CB -0.033 32.426 32.500 -0.068 0.000 0.831 276 K HN 0.155 nan 8.250 nan 0.000 0.508 277 D N 0.173 120.493 120.400 -0.132 0.000 2.308 277 D HA 0.055 4.695 4.640 -0.000 0.000 0.242 277 D C 0.291 176.484 176.300 -0.178 0.000 1.059 277 D CA -0.467 53.463 54.000 -0.116 0.000 0.830 277 D CB 1.280 42.033 40.800 -0.078 0.000 1.161 277 D HN -0.129 nan 8.370 nan 0.000 0.494 278 D N 2.617 122.931 120.400 -0.144 0.000 2.144 278 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 278 D C 1.334 177.537 176.300 -0.162 0.000 0.984 278 D CA 0.872 54.781 54.000 -0.152 0.000 0.834 278 D CB 0.148 40.892 40.800 -0.094 0.000 0.955 278 D HN 0.670 nan 8.370 nan 0.000 0.465 279 E N 0.441 120.550 120.200 -0.151 0.000 2.047 279 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 279 E C 2.349 178.797 176.600 -0.254 0.000 0.987 279 E CA 0.346 56.638 56.400 -0.180 0.000 0.799 279 E CB -0.010 29.594 29.700 -0.160 0.000 0.752 279 E HN 0.172 nan 8.360 nan 0.000 0.449 280 L N 0.514 121.586 121.223 -0.251 0.000 2.083 280 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 280 L C 2.659 179.333 176.870 -0.326 0.000 1.083 280 L CA 1.203 55.861 54.840 -0.302 0.000 0.752 280 L CB -0.327 41.607 42.059 -0.208 0.000 0.899 280 L HN 0.104 nan 8.230 nan 0.000 0.433 281 K N 0.090 120.270 120.400 -0.367 0.000 2.025 281 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 281 K C 2.304 178.819 176.600 -0.142 0.000 1.049 281 K CA 1.168 57.121 56.287 -0.556 0.000 0.933 281 K CB -0.062 31.969 32.500 -0.780 0.000 0.714 281 K HN 0.091 nan 8.250 nan 0.000 0.438 282 R N 1.052 121.489 120.500 -0.105 0.000 2.083 282 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 282 R C 1.694 177.998 176.300 0.006 0.000 1.137 282 R CA 1.939 58.036 56.100 -0.004 0.000 0.951 282 R CB -0.003 30.259 30.300 -0.063 0.000 0.851 282 R HN 0.055 nan 8.270 nan 0.000 0.434 283 K N -0.059 120.266 120.400 -0.125 0.000 2.217 283 K HA -0.006 4.313 4.320 -0.000 0.000 0.202 283 K C 1.584 178.190 176.600 0.010 0.000 1.051 283 K CA 0.829 57.033 56.287 -0.138 0.000 0.952 283 K CB 0.171 32.421 32.500 -0.416 0.000 0.736 283 K HN 0.246 nan 8.250 nan 0.000 0.453 284 L N 0.735 121.957 121.223 -0.003 0.000 2.653 284 L HA 0.145 4.485 4.340 -0.000 0.000 0.231 284 L C 0.609 177.937 176.870 0.764 0.000 1.153 284 L CA -0.375 54.520 54.840 0.091 0.000 0.933 284 L CB 0.034 41.766 42.059 -0.545 0.000 1.175 284 L HN 0.058 nan 8.230 nan 0.000 0.473 285 R N 3.229 124.133 120.500 0.673 0.000 2.458 285 R HA 0.091 4.431 4.340 -0.000 0.000 0.303 285 R C -2.323 174.203 176.300 0.377 0.000 1.013 285 R CA -1.045 55.410 56.100 0.593 0.000 1.026 285 R CB 0.495 31.027 30.300 0.387 0.000 0.948 285 R HN -0.076 nan 8.270 nan 0.000 0.417 286 P HA 0.182 nan 4.420 nan 0.000 0.290 286 P C -0.813 176.385 177.300 -0.170 0.000 1.275 286 P CA -0.531 62.557 63.100 -0.019 0.000 0.841 286 P CB 1.384 33.082 31.700 -0.003 0.000 1.042 287 D N 0.339 120.598 120.400 -0.235 0.000 2.123 287 D HA -0.031 4.609 4.640 -0.000 0.000 0.200 287 D C 0.828 177.027 176.300 -0.169 0.000 0.976 287 D CA 1.441 55.332 54.000 -0.181 0.000 0.831 287 D CB -0.008 40.688 40.800 -0.175 0.000 0.974 287 D HN 0.292 nan 8.370 nan 0.000 0.469 288 V N -1.796 117.994 119.914 -0.207 0.000 2.864 288 V HA 0.708 4.828 4.120 -0.000 0.000 0.314 288 V C -0.329 175.640 176.094 -0.209 0.000 1.073 288 V CA -0.863 61.338 62.300 -0.165 0.000 0.956 288 V CB 2.574 34.340 31.823 -0.095 0.000 1.023 288 V HN -0.224 nan 8.190 nan 0.000 0.435 289 V N 4.635 124.456 119.914 -0.156 0.000 2.656 289 V HA 0.566 4.686 4.120 -0.000 0.000 0.307 289 V C -0.335 175.702 176.094 -0.095 0.000 1.051 289 V CA -0.409 61.799 62.300 -0.153 0.000 0.893 289 V CB 1.848 33.562 31.823 -0.182 0.000 0.999 289 V HN 0.855 nan 8.190 nan 0.000 0.426 290 I N 4.524 125.065 120.570 -0.049 0.000 2.378 290 I HA 0.562 4.732 4.170 -0.000 0.000 0.291 290 I C 0.064 176.110 176.117 -0.118 0.000 0.992 290 I CA -0.581 60.679 61.300 -0.067 0.000 1.154 290 I CB 1.531 39.597 38.000 0.111 0.000 1.315 290 I HN 0.412 nan 8.210 nan 0.000 0.448 291 R N 5.256 125.587 120.500 -0.282 0.000 2.393 291 R HA 0.630 4.969 4.340 -0.000 0.000 0.310 291 R C -1.521 174.513 176.300 -0.443 0.000 0.968 291 R CA -0.637 55.321 56.100 -0.237 0.000 0.867 291 R CB 1.830 32.011 30.300 -0.198 0.000 1.124 291 R HN 0.378 nan 8.270 nan 0.000 0.450 292 F N 0.717 120.608 119.950 -0.097 0.000 2.520 292 F HA 0.487 5.014 4.527 -0.001 0.000 0.322 292 F C 1.020 176.772 175.800 -0.081 0.000 1.103 292 F CA -0.026 57.920 58.000 -0.090 0.000 0.926 292 F CB 2.188 41.148 39.000 -0.068 0.000 1.154 292 F HN 0.805 nan 8.300 nan 0.000 0.453 293 G N 3.166 112.021 108.800 0.090 0.000 2.752 293 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.234 293 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.234 293 G C -2.926 171.972 174.900 -0.002 0.000 1.367 293 G CA -1.226 43.899 45.100 0.040 0.000 0.879 293 G HN 0.497 nan 8.290 nan 0.000 0.563 294 P HA 0.307 nan 4.420 nan 0.000 0.273 294 P C 0.568 177.861 177.300 -0.013 0.000 1.250 294 P CA -0.357 62.740 63.100 -0.004 0.000 0.793 294 P CB 0.266 31.973 31.700 0.012 0.000 1.011 295 M N 1.252 120.843 119.600 -0.014 0.000 2.240 295 M HA 0.030 4.510 4.480 -0.000 0.000 0.346 295 M C -1.635 174.658 176.300 -0.011 0.000 1.236 295 M CA -0.865 54.430 55.300 -0.009 0.000 0.986 295 M CB -1.402 31.187 32.600 -0.020 0.000 1.786 295 M HN 0.307 nan 8.290 nan 0.000 0.457 296 P HA 0.108 nan 4.420 nan 0.000 0.273 296 P C 0.737 178.040 177.300 0.005 0.000 1.250 296 P CA -0.382 62.725 63.100 0.012 0.000 0.793 296 P CB 0.472 32.196 31.700 0.039 0.000 1.011 297 V N -0.877 119.032 119.914 -0.008 0.000 2.720 297 V HA -0.126 3.994 4.120 -0.000 0.000 0.256 297 V C 1.626 177.702 176.094 -0.031 0.000 1.082 297 V CA 1.629 63.901 62.300 -0.047 0.000 1.101 297 V CB -1.160 30.610 31.823 -0.089 0.000 0.693 297 V HN 0.663 nan 8.190 nan 0.000 0.479 298 S N 0.294 116.018 115.700 0.041 0.000 2.466 298 S HA 0.056 4.525 4.470 -0.000 0.000 0.286 298 S C 1.287 175.942 174.600 0.092 0.000 1.221 298 S CA -0.232 58.004 58.200 0.061 0.000 1.091 298 S CB 0.423 63.745 63.200 0.204 0.000 0.956 298 S HN 0.507 nan 8.310 nan 0.000 0.501 299 K N 5.622 126.052 120.400 0.051 0.000 2.057 299 K HA -0.010 4.309 4.320 -0.000 0.000 0.207 299 K C -1.070 175.645 176.600 0.192 0.000 1.049 299 K CA 1.508 57.875 56.287 0.133 0.000 0.931 299 K CB -0.704 31.833 32.500 0.063 0.000 0.714 299 K HN 0.454 nan 8.250 nan 0.000 0.440 300 P HA -0.153 nan 4.420 nan 0.000 0.216 300 P C 1.301 178.707 177.300 0.176 0.000 1.150 300 P CA 0.993 64.142 63.100 0.083 0.000 0.837 300 P CB 0.080 31.775 31.700 -0.008 0.000 0.786 301 V N -0.803 119.243 119.914 0.221 0.000 2.343 301 V HA -0.237 3.882 4.120 -0.000 0.000 0.247 301 V C 2.198 178.447 176.094 0.257 0.000 1.051 301 V CA 1.751 64.220 62.300 0.282 0.000 1.036 301 V CB -1.299 30.649 31.823 0.207 0.000 0.654 301 V HN 0.031 nan 8.190 nan 0.000 0.451 302 F N 0.639 120.650 119.950 0.102 0.000 2.102 302 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 302 F C 2.032 177.892 175.800 0.100 0.000 1.105 302 F CA 1.751 59.795 58.000 0.073 0.000 1.239 302 F CB -0.433 38.593 39.000 0.043 0.000 0.991 302 F HN 0.034 nan 8.300 nan 0.000 0.474 303 L N -1.208 119.941 121.223 -0.123 0.000 2.083 303 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 303 L C 2.381 179.221 176.870 -0.051 0.000 1.083 303 L CA 1.325 56.029 54.840 -0.226 0.000 0.752 303 L CB -1.028 41.027 42.059 -0.007 0.000 0.899 303 L HN 0.398 nan 8.230 nan 0.000 0.433 304 W N 1.118 122.342 121.300 -0.126 0.000 2.333 304 W HA -0.197 4.463 4.660 -0.001 0.000 0.316 304 W C 2.301 178.761 176.519 -0.098 0.000 1.215 304 W CA 1.383 58.683 57.345 -0.075 0.000 1.278 304 W CB -0.633 28.822 29.460 -0.009 0.000 1.154 304 W HN 0.003 nan 8.180 nan 0.000 0.486 305 L N 0.334 121.537 121.223 -0.034 0.000 2.141 305 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 305 L C 2.704 179.475 176.870 -0.165 0.000 1.094 305 L CA 1.317 56.050 54.840 -0.179 0.000 0.763 305 L CB -0.889 41.090 42.059 -0.133 0.000 0.908 305 L HN -0.114 nan 8.230 nan 0.000 0.437 306 K N 0.236 120.489 120.400 -0.245 0.000 2.031 306 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 306 K C 1.266 177.782 176.600 -0.141 0.000 1.049 306 K CA 1.410 57.538 56.287 -0.264 0.000 0.939 306 K CB 0.030 32.195 32.500 -0.558 0.000 0.717 306 K HN 0.261 nan 8.250 nan 0.000 0.438 307 D N 0.564 120.906 120.400 -0.097 0.000 2.355 307 D HA -0.059 4.581 4.640 -0.000 0.000 0.218 307 D C -0.106 176.202 176.300 0.013 0.000 1.004 307 D CA 0.638 54.622 54.000 -0.026 0.000 0.880 307 D CB 0.216 41.015 40.800 -0.001 0.000 0.911 307 D HN 0.135 nan 8.370 nan 0.000 0.528 308 D N 0.265 120.665 120.400 -0.000 0.000 2.443 308 D HA 0.111 4.751 4.640 -0.000 0.000 0.281 308 D C -2.137 174.121 176.300 -0.071 0.000 1.210 308 D CA -1.838 52.155 54.000 -0.010 0.000 0.875 308 D CB 1.339 42.157 40.800 0.029 0.000 1.125 308 D HN -0.098 nan 8.370 nan 0.000 0.503 309 P HA 0.018 nan 4.420 nan 0.000 0.253 309 P C 0.944 178.208 177.300 -0.060 0.000 1.281 309 P CA 0.353 63.416 63.100 -0.062 0.000 0.792 309 P CB -0.090 31.585 31.700 -0.040 0.000 1.193 310 T N -3.508 111.010 114.554 -0.059 0.000 3.067 310 T HA 0.124 4.474 4.350 -0.000 0.000 0.257 310 T C 1.033 175.687 174.700 -0.078 0.000 1.105 310 T CA -0.061 62.007 62.100 -0.054 0.000 1.104 310 T CB -0.550 68.296 68.868 -0.038 0.000 0.925 310 T HN 0.008 nan 8.240 nan 0.000 0.498 311 I N 2.674 123.172 120.570 -0.119 0.000 2.581 311 I HA 0.042 4.212 4.170 -0.000 0.000 0.285 311 I C 0.556 176.595 176.117 -0.130 0.000 1.129 311 I CA 0.054 61.255 61.300 -0.165 0.000 1.397 311 I CB 0.379 38.206 38.000 -0.288 0.000 1.399 311 I HN 0.234 nan 8.210 nan 0.000 0.537 312 Q N 7.129 126.869 119.800 -0.099 0.000 2.307 312 Q HA 0.156 4.496 4.340 -0.000 0.000 0.261 312 Q C -0.693 175.278 176.000 -0.050 0.000 1.051 312 Q CA -0.140 55.635 55.803 -0.046 0.000 0.911 312 Q CB 0.801 29.536 28.738 -0.006 0.000 1.227 312 Q HN 0.562 nan 8.270 nan 0.000 0.418 313 Q N 2.927 122.700 119.800 -0.045 0.000 2.241 313 Q HA 0.449 4.789 4.340 -0.000 0.000 0.254 313 Q C -0.571 175.418 176.000 -0.018 0.000 0.917 313 Q CA -0.234 55.528 55.803 -0.069 0.000 0.919 313 Q CB 1.516 30.193 28.738 -0.101 0.000 1.237 313 Q HN 0.548 nan 8.270 nan 0.000 0.434 314 I N 2.643 123.166 120.570 -0.079 0.000 2.390 314 I HA 0.260 4.430 4.170 -0.000 0.000 0.283 314 I C -0.779 175.172 176.117 -0.277 0.000 1.016 314 I CA -0.794 60.432 61.300 -0.122 0.000 1.151 314 I CB 1.478 39.392 38.000 -0.142 0.000 1.293 314 I HN 0.257 nan 8.210 nan 0.000 0.458 315 V N 7.491 127.226 119.914 -0.298 0.000 2.407 315 V HA 0.383 4.503 4.120 -0.000 0.000 0.278 315 V C -0.009 175.809 176.094 -0.461 0.000 1.037 315 V CA -0.408 61.668 62.300 -0.373 0.000 0.900 315 V CB 1.606 33.225 31.823 -0.340 0.000 0.983 315 V HN 0.415 nan 8.190 nan 0.000 0.459 316 I N 4.519 124.744 120.570 -0.574 0.000 2.362 316 I HA 0.494 4.664 4.170 -0.000 0.000 0.289 316 I C -0.406 175.526 176.117 -0.308 0.000 0.994 316 I CA 0.178 61.135 61.300 -0.573 0.000 1.158 316 I CB 1.637 39.062 38.000 -0.958 0.000 1.315 316 I HN 0.563 nan 8.210 nan 0.000 0.451 317 D N 5.092 125.390 120.400 -0.170 0.000 2.328 317 D HA 0.093 4.733 4.640 -0.000 0.000 0.243 317 D C 0.812 177.091 176.300 -0.035 0.000 1.324 317 D CA -0.302 53.650 54.000 -0.081 0.000 0.966 317 D CB 0.792 41.539 40.800 -0.088 0.000 1.324 317 D HN 0.627 nan 8.370 nan 0.000 0.549 318 E N 1.752 121.943 120.200 -0.015 0.000 2.136 318 E HA -0.263 4.087 4.350 -0.000 0.000 0.202 318 E C 0.342 176.918 176.600 -0.041 0.000 1.019 318 E CA 1.643 58.044 56.400 0.001 0.000 0.819 318 E CB 0.350 30.063 29.700 0.021 0.000 0.739 318 E HN 0.413 nan 8.360 nan 0.000 0.458 319 D N -1.458 118.900 120.400 -0.069 0.000 2.363 319 D HA 0.027 4.667 4.640 -0.000 0.000 0.220 319 D C 1.206 177.387 176.300 -0.199 0.000 0.994 319 D CA 1.023 54.965 54.000 -0.096 0.000 0.890 319 D CB 0.244 41.002 40.800 -0.070 0.000 0.906 319 D HN 0.416 nan 8.370 nan 0.000 0.530 320 G N 0.169 108.747 108.800 -0.370 0.000 2.143 320 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 320 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 320 G C 0.796 175.395 174.900 -0.502 0.000 0.991 320 G CA 0.182 44.705 45.100 -0.962 0.000 0.689 320 G HN 0.631 nan 8.290 nan 0.000 0.522 321 G N -1.482 107.205 108.800 -0.187 0.000 2.525 321 G HA2 0.389 4.349 3.960 -0.000 0.000 0.276 321 G HA3 0.389 4.349 3.960 -0.000 0.000 0.276 321 G C -0.163 174.830 174.900 0.157 0.000 1.388 321 G CA -0.050 45.058 45.100 0.013 0.000 1.050 321 G HN 0.669 nan 8.290 nan 0.000 0.520 322 W N 0.661 121.980 121.300 0.032 0.000 2.481 322 W HA 0.474 5.134 4.660 -0.001 0.000 0.285 322 W C -0.657 175.892 176.519 0.051 0.000 1.017 322 W CA -0.743 56.635 57.345 0.056 0.000 1.499 322 W CB 0.544 30.043 29.460 0.064 0.000 1.381 322 W HN 0.341 nan 8.180 nan 0.000 0.390 323 R N 3.519 124.004 120.500 -0.025 0.000 2.247 323 R HA 0.257 4.596 4.340 -0.000 0.000 0.329 323 R C -0.937 175.329 176.300 -0.057 0.000 1.014 323 R CA -0.221 55.894 56.100 0.025 0.000 0.907 323 R CB 1.039 31.343 30.300 0.006 0.000 1.146 323 R HN 0.152 nan 8.270 nan 0.000 0.499 324 D N 3.137 123.582 120.400 0.076 0.000 2.492 324 D HA 0.056 4.696 4.640 -0.000 0.000 0.229 324 D C -2.083 174.346 176.300 0.216 0.000 1.345 324 D CA -1.146 52.907 54.000 0.088 0.000 0.912 324 D CB 1.200 41.984 40.800 -0.026 0.000 1.526 324 D HN 0.197 nan 8.370 nan 0.000 0.505 325 P HA -0.016 nan 4.420 nan 0.000 0.242 325 P C 1.114 178.677 177.300 0.439 0.000 1.197 325 P CA 0.551 63.801 63.100 0.250 0.000 0.765 325 P CB -0.012 31.716 31.700 0.047 0.000 0.936 326 T N -4.354 110.422 114.554 0.370 0.000 3.043 326 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 326 T C 1.137 175.916 174.700 0.131 0.000 1.094 326 T CA 0.300 62.522 62.100 0.202 0.000 1.127 326 T CB -0.641 68.250 68.868 0.040 0.000 0.905 326 T HN 0.007 nan 8.240 nan 0.000 0.490 327 Q N -0.474 119.429 119.800 0.171 0.000 2.452 327 Q HA -0.223 4.117 4.340 -0.000 0.000 0.248 327 Q C 0.988 177.047 176.000 0.099 0.000 0.874 327 Q CA 1.077 56.972 55.803 0.153 0.000 1.208 327 Q CB -2.275 26.530 28.738 0.110 0.000 1.569 327 Q HN 0.861 nan 8.270 nan 0.000 0.579 328 A N -0.266 122.592 122.820 0.063 0.000 2.469 328 A HA 0.290 4.610 4.320 -0.000 0.000 0.245 328 A C 0.771 178.345 177.584 -0.017 0.000 1.221 328 A CA 0.556 52.599 52.037 0.010 0.000 0.946 328 A CB 0.433 19.417 19.000 -0.027 0.000 1.049 328 A HN 0.422 nan 8.150 nan 0.000 0.529 329 S N -0.474 115.220 115.700 -0.010 0.000 2.568 329 S HA 0.460 4.929 4.470 -0.000 0.000 0.282 329 S C 0.897 175.440 174.600 -0.094 0.000 1.338 329 S CA 0.099 58.257 58.200 -0.071 0.000 1.045 329 S CB 1.501 64.620 63.200 -0.135 0.000 0.873 329 S HN 0.937 nan 8.310 nan 0.000 0.516 330 A N 1.336 124.074 122.820 -0.137 0.000 2.229 330 A HA 0.285 4.605 4.320 -0.000 0.000 0.211 330 A C 0.514 177.695 177.584 -0.673 0.000 1.193 330 A CA -0.092 51.758 52.037 -0.311 0.000 0.879 330 A CB -0.054 18.804 19.000 -0.237 0.000 0.911 330 A HN 0.922 nan 8.150 nan 0.000 0.492 331 H N -0.583 118.411 119.070 -0.127 0.000 2.934 331 H HA 0.356 4.911 4.556 -0.000 0.000 0.340 331 H C -1.258 173.914 175.328 -0.260 0.000 1.008 331 H CA -0.601 55.352 56.048 -0.159 0.000 1.317 331 H CB 1.133 30.814 29.762 -0.135 0.000 1.670 331 H HN 0.128 nan 8.280 nan 0.000 0.516 332 M N 4.529 123.996 119.600 -0.222 0.000 2.044 332 M HA 0.316 4.796 4.480 -0.000 0.000 0.333 332 M C -0.427 175.678 176.300 -0.324 0.000 1.004 332 M CA -0.501 54.583 55.300 -0.361 0.000 0.954 332 M CB 1.041 33.299 32.600 -0.570 0.000 1.468 332 M HN 0.431 nan 8.290 nan 0.000 0.414 333 I N 3.756 124.152 120.570 -0.290 0.000 2.312 333 I HA 0.226 4.395 4.170 -0.000 0.000 0.290 333 I C 0.213 176.255 176.117 -0.126 0.000 1.008 333 I CA -0.410 60.740 61.300 -0.250 0.000 1.226 333 I CB 0.442 38.257 38.000 -0.309 0.000 1.371 333 I HN 0.610 nan 8.210 nan 0.000 0.468 334 H N 5.038 124.053 119.070 -0.092 0.000 2.982 334 H HA 0.306 4.861 4.556 -0.000 0.000 0.261 334 H C -0.246 175.060 175.328 -0.035 0.000 1.603 334 H CA -0.274 55.737 56.048 -0.062 0.000 1.398 334 H CB 0.738 30.489 29.762 -0.019 0.000 1.693 334 H HN 0.533 nan 8.280 nan 0.000 0.535 335 C N 3.890 123.227 119.300 0.063 0.000 2.891 335 C HA 0.174 4.634 4.460 -0.000 0.000 0.342 335 C C -0.180 174.851 174.990 0.069 0.000 1.126 335 C CA -1.076 57.981 59.018 0.065 0.000 1.322 335 C CB 1.064 28.853 27.740 0.081 0.000 1.763 335 C HN 0.875 nan 8.230 nan 0.000 0.491 336 N N 2.690 121.443 118.700 0.088 0.000 2.356 336 N HA 0.035 4.775 4.740 -0.000 0.000 0.252 336 N C 1.101 176.712 175.510 0.168 0.000 1.241 336 N CA 0.964 54.074 53.050 0.100 0.000 0.861 336 N CB 1.508 40.042 38.487 0.078 0.000 1.075 336 N HN 0.905 nan 8.380 nan 0.000 0.461 337 A N 3.796 126.732 122.820 0.193 0.000 1.908 337 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 337 A C 2.365 180.108 177.584 0.266 0.000 1.181 337 A CA 1.786 54.028 52.037 0.342 0.000 0.627 337 A CB -0.654 18.527 19.000 0.302 0.000 0.818 337 A HN 0.775 nan 8.150 nan 0.000 0.445 338 S N -0.561 115.215 115.700 0.126 0.000 2.356 338 S HA -0.137 4.332 4.470 -0.000 0.000 0.223 338 S C 1.940 176.590 174.600 0.083 0.000 1.032 338 S CA 1.476 59.715 58.200 0.065 0.000 1.005 338 S CB -0.511 62.706 63.200 0.028 0.000 0.867 338 S HN 0.350 nan 8.310 nan 0.000 0.449 339 V N 1.422 121.398 119.914 0.103 0.000 2.287 339 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 339 V C 1.903 178.066 176.094 0.115 0.000 1.053 339 V CA 2.009 64.362 62.300 0.088 0.000 1.027 339 V CB -0.772 31.104 31.823 0.088 0.000 0.646 339 V HN 0.516 nan 8.190 nan 0.000 0.447 340 F N 1.467 121.452 119.950 0.058 0.000 2.091 340 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 340 F C 2.264 178.105 175.800 0.067 0.000 1.103 340 F CA 1.623 59.661 58.000 0.062 0.000 1.228 340 F CB -0.672 38.380 39.000 0.087 0.000 0.984 340 F HN 0.076 nan 8.300 nan 0.000 0.477 341 A N 0.251 123.120 122.820 0.081 0.000 1.851 341 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 341 A C 2.122 179.619 177.584 -0.144 0.000 1.195 341 A CA 2.032 54.035 52.037 -0.057 0.000 0.622 341 A CB -1.184 17.823 19.000 0.012 0.000 0.831 341 A HN 0.567 nan 8.150 nan 0.000 0.444 342 E N -0.500 119.653 120.200 -0.079 0.000 2.048 342 E HA -0.251 4.099 4.350 -0.000 0.000 0.202 342 E C 2.094 178.624 176.600 -0.116 0.000 1.021 342 E CA 1.466 57.819 56.400 -0.080 0.000 0.825 342 E CB -0.255 29.421 29.700 -0.041 0.000 0.756 342 E HN 0.542 nan 8.360 nan 0.000 0.454 343 E N 0.526 120.648 120.200 -0.130 0.000 2.065 343 E HA -0.220 4.130 4.350 -0.000 0.000 0.201 343 E C 2.154 178.634 176.600 -0.200 0.000 1.016 343 E CA 0.965 57.278 56.400 -0.144 0.000 0.818 343 E CB -0.330 29.293 29.700 -0.129 0.000 0.749 343 E HN 0.303 nan 8.360 nan 0.000 0.453 344 I N 0.698 121.071 120.570 -0.329 0.000 2.226 344 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 344 I C 2.501 178.495 176.117 -0.205 0.000 1.100 344 I CA 1.171 62.278 61.300 -0.321 0.000 1.374 344 I CB -0.950 36.766 38.000 -0.473 0.000 1.057 344 I HN 0.151 nan 8.210 nan 0.000 0.413 345 M N 0.307 119.800 119.600 -0.179 0.000 2.117 345 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 345 M C 2.427 178.666 176.300 -0.101 0.000 1.065 345 M CA 1.912 57.135 55.300 -0.129 0.000 1.114 345 M CB -0.475 32.059 32.600 -0.109 0.000 1.361 345 M HN 0.226 nan 8.290 nan 0.000 0.408 346 A N 0.295 123.058 122.820 -0.095 0.000 2.019 346 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 346 A C 2.188 179.730 177.584 -0.070 0.000 1.164 346 A CA 1.797 53.791 52.037 -0.072 0.000 0.644 346 A CB -1.204 17.757 19.000 -0.064 0.000 0.805 346 A HN 0.583 nan 8.150 nan 0.000 0.449 347 G N -1.143 107.606 108.800 -0.086 0.000 2.985 347 G HA2 0.378 4.337 3.960 -0.000 0.000 0.209 347 G HA3 0.378 4.337 3.960 -0.000 0.000 0.209 347 G C 0.452 175.308 174.900 -0.073 0.000 1.165 347 G CA -0.316 44.738 45.100 -0.076 0.000 0.776 347 G HN 0.378 nan 8.290 nan 0.000 0.541 348 L N 1.341 122.517 121.223 -0.078 0.000 2.418 348 L HA 0.358 4.698 4.340 -0.000 0.000 0.265 348 L C 0.592 177.430 176.870 -0.054 0.000 1.143 348 L CA -0.505 54.292 54.840 -0.072 0.000 0.809 348 L CB 1.450 43.458 42.059 -0.085 0.000 1.124 348 L HN 0.050 nan 8.230 nan 0.000 0.456 349 T N -1.067 113.460 114.554 -0.045 0.000 2.929 349 T HA 0.382 4.732 4.350 -0.000 0.000 0.331 349 T C 0.914 175.596 174.700 -0.030 0.000 1.120 349 T CA -0.451 61.629 62.100 -0.034 0.000 0.973 349 T CB 1.262 70.113 68.868 -0.028 0.000 1.036 349 T HN 0.699 nan 8.240 nan 0.000 0.502 350 A N 2.845 125.647 122.820 -0.029 0.000 2.394 350 A HA 0.018 4.337 4.320 -0.000 0.000 0.212 350 A C 1.967 179.540 177.584 -0.018 0.000 1.281 350 A CA 0.977 52.999 52.037 -0.025 0.000 0.707 350 A CB -1.329 17.658 19.000 -0.022 0.000 0.781 350 A HN 1.423 nan 8.150 nan 0.000 0.531 351 A N -0.374 122.436 122.820 -0.017 0.000 2.190 351 A HA 0.331 4.650 4.320 -0.000 0.000 0.226 351 A C 1.766 179.346 177.584 -0.007 0.000 1.402 351 A CA 1.607 53.638 52.037 -0.010 0.000 1.288 351 A CB -1.584 17.411 19.000 -0.009 0.000 0.833 351 A HN 1.974 nan 8.150 nan 0.000 0.564 352 T N -2.393 112.155 114.554 -0.009 0.000 12.383 352 T HA -0.418 3.932 4.350 -0.000 0.000 0.419 352 T C 0.585 175.283 174.700 -0.003 0.000 1.441 352 T CA 1.906 64.003 62.100 -0.005 0.000 2.385 352 T CB -1.367 67.502 68.868 0.003 0.000 2.852 352 T HN 1.634 nan 8.240 nan 0.000 0.818 353 R N 0.333 120.837 120.500 0.007 0.000 3.194 353 R HA 0.061 4.401 4.340 -0.000 0.000 0.412 353 R C -0.318 176.008 176.300 0.044 0.000 1.180 353 R CA 0.599 56.711 56.100 0.019 0.000 1.047 353 R CB -1.239 29.063 30.300 0.003 0.000 2.598 353 R HN 1.124 nan 8.270 nan 0.000 0.633 354 S N 0.898 116.636 115.700 0.063 0.000 2.549 354 S HA 0.124 4.594 4.470 -0.000 0.000 0.286 354 S C 1.238 175.914 174.600 0.127 0.000 1.314 354 S CA 0.525 58.778 58.200 0.089 0.000 1.062 354 S CB 0.824 64.082 63.200 0.097 0.000 0.865 354 S HN 0.651 nan 8.310 nan 0.000 0.498 355 S N 2.910 118.684 115.700 0.123 0.000 2.568 355 S HA 0.180 4.649 4.470 -0.000 0.000 0.232 355 S C 1.194 175.899 174.600 0.174 0.000 0.975 355 S CA 0.027 58.315 58.200 0.146 0.000 0.949 355 S CB -0.029 63.233 63.200 0.102 0.000 0.829 355 S HN 0.858 nan 8.310 nan 0.000 0.479 356 E N 1.100 121.412 120.200 0.188 0.000 2.077 356 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 356 E C 1.525 178.298 176.600 0.289 0.000 0.989 356 E CA 1.181 57.699 56.400 0.196 0.000 0.800 356 E CB -0.272 29.535 29.700 0.177 0.000 0.746 356 E HN 0.851 nan 8.360 nan 0.000 0.452 357 W N 1.116 122.515 121.300 0.165 0.000 2.353 357 W HA -0.253 4.407 4.660 -0.000 0.000 0.319 357 W C 2.075 178.784 176.519 0.317 0.000 1.207 357 W CA 0.949 58.433 57.345 0.232 0.000 1.291 357 W CB -0.502 29.093 29.460 0.226 0.000 1.159 357 W HN 0.216 nan 8.180 nan 0.000 0.478 358 L N 2.049 123.409 121.223 0.228 0.000 2.051 358 L HA -0.270 4.070 4.340 -0.000 0.000 0.214 358 L C 2.207 179.146 176.870 0.116 0.000 1.076 358 L CA 2.474 57.379 54.840 0.109 0.000 0.758 358 L CB -1.207 40.947 42.059 0.158 0.000 0.890 358 L HN 0.074 nan 8.230 nan 0.000 0.433 359 E N -0.937 119.340 120.200 0.128 0.000 2.150 359 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 359 E C 2.138 178.810 176.600 0.119 0.000 0.985 359 E CA 1.062 57.532 56.400 0.118 0.000 0.814 359 E CB -0.029 29.728 29.700 0.096 0.000 0.752 359 E HN 0.496 nan 8.360 nan 0.000 0.466 360 K N -0.378 120.065 120.400 0.072 0.000 2.063 360 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 360 K C 1.764 178.349 176.600 -0.025 0.000 1.048 360 K CA 1.399 57.708 56.287 0.038 0.000 0.928 360 K CB -0.165 32.284 32.500 -0.085 0.000 0.713 360 K HN 0.222 nan 8.250 nan 0.000 0.442 361 W N 1.731 122.925 121.300 -0.178 0.000 2.379 361 W HA -0.121 4.539 4.660 -0.001 0.000 0.307 361 W C 2.376 178.864 176.519 -0.052 0.000 1.200 361 W CA 0.958 58.213 57.345 -0.151 0.000 1.297 361 W CB -0.227 29.121 29.460 -0.185 0.000 1.140 361 W HN 0.139 nan 8.180 nan 0.000 0.507 362 Q N -0.990 118.949 119.800 0.230 0.000 2.124 362 Q HA -0.226 4.113 4.340 -0.000 0.000 0.202 362 Q C 2.061 178.144 176.000 0.138 0.000 0.977 362 Q CA 1.796 57.704 55.803 0.176 0.000 0.850 362 Q CB -0.727 28.105 28.738 0.155 0.000 0.901 362 Q HN 0.351 nan 8.270 nan 0.000 0.429 363 F N 0.497 120.445 119.950 -0.003 0.000 2.113 363 F HA -0.153 4.373 4.527 -0.000 0.000 0.297 363 F C 1.890 177.645 175.800 -0.076 0.000 1.103 363 F CA 0.932 58.908 58.000 -0.040 0.000 1.248 363 F CB -0.324 38.636 39.000 -0.067 0.000 0.999 363 F HN -0.208 nan 8.300 nan 0.000 0.475 364 V N 0.795 120.473 119.914 -0.392 0.000 2.343 364 V HA -0.326 3.793 4.120 -0.000 0.000 0.247 364 V C 2.186 177.965 176.094 -0.525 0.000 1.051 364 V CA 2.335 64.250 62.300 -0.642 0.000 1.036 364 V CB -1.053 30.285 31.823 -0.809 0.000 0.654 364 V HN 0.455 nan 8.190 nan 0.000 0.451 365 N N 0.069 118.604 118.700 -0.275 0.000 2.142 365 N HA -0.097 4.642 4.740 -0.000 0.000 0.186 365 N C 1.897 177.460 175.510 0.089 0.000 1.023 365 N CA 1.357 54.431 53.050 0.039 0.000 0.852 365 N CB -0.375 38.253 38.487 0.236 0.000 0.998 365 N HN 0.416 nan 8.380 nan 0.000 0.424 366 G N 0.011 108.818 108.800 0.012 0.000 2.421 366 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 366 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 366 G C 1.700 176.589 174.900 -0.020 0.000 1.171 366 G CA 0.529 45.646 45.100 0.028 0.000 0.775 366 G HN 0.193 nan 8.290 nan 0.000 0.543 367 R N -0.594 119.798 120.500 -0.181 0.000 2.092 367 R HA 0.087 4.426 4.340 -0.000 0.000 0.231 367 R C 2.169 178.439 176.300 -0.049 0.000 1.119 367 R CA 0.832 56.827 56.100 -0.175 0.000 0.970 367 R CB -0.720 29.343 30.300 -0.395 0.000 0.864 367 R HN 0.405 nan 8.270 nan 0.000 0.440 368 F N 1.111 120.970 119.950 -0.153 0.000 2.120 368 F HA -0.271 4.256 4.527 -0.001 0.000 0.300 368 F C 1.869 177.701 175.800 0.053 0.000 1.095 368 F CA 1.576 59.557 58.000 -0.032 0.000 1.249 368 F CB 0.117 39.130 39.000 0.022 0.000 0.995 368 F HN -0.105 nan 8.300 nan 0.000 0.480 369 R N 0.702 121.337 120.500 0.226 0.000 2.090 369 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 369 R C 2.151 178.467 176.300 0.026 0.000 1.110 369 R CA 1.416 57.605 56.100 0.148 0.000 0.973 369 R CB -0.914 29.515 30.300 0.215 0.000 0.869 369 R HN 0.477 nan 8.270 nan 0.000 0.440 370 E N -0.397 119.815 120.200 0.020 0.000 2.058 370 E HA -0.237 4.112 4.350 -0.000 0.000 0.194 370 E C 1.877 178.452 176.600 -0.040 0.000 0.997 370 E CA 1.438 57.835 56.400 -0.004 0.000 0.801 370 E CB -0.209 29.493 29.700 0.002 0.000 0.746 370 E HN 0.446 nan 8.360 nan 0.000 0.450 371 H N 0.240 119.231 119.070 -0.131 0.000 2.457 371 H HA 0.023 4.578 4.556 -0.000 0.000 0.294 371 H C 2.001 177.221 175.328 -0.181 0.000 1.064 371 H CA 0.820 56.776 56.048 -0.154 0.000 1.330 371 H CB 0.084 29.738 29.762 -0.179 0.000 1.395 371 H HN 0.061 nan 8.280 nan 0.000 0.541 372 L N 0.048 121.185 121.223 -0.144 0.000 2.131 372 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 372 L C 2.148 178.965 176.870 -0.089 0.000 1.092 372 L CA 0.882 55.645 54.840 -0.127 0.000 0.759 372 L CB -0.273 41.717 42.059 -0.115 0.000 0.903 372 L HN 0.456 nan 8.230 nan 0.000 0.435 373 Q N -0.565 119.183 119.800 -0.086 0.000 2.135 373 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 373 Q C 2.252 178.185 176.000 -0.111 0.000 0.981 373 Q CA 2.167 57.928 55.803 -0.071 0.000 0.856 373 Q CB -0.825 27.882 28.738 -0.052 0.000 0.902 373 Q HN 0.622 nan 8.270 nan 0.000 0.425 374 T N -1.660 112.774 114.554 -0.200 0.000 2.929 374 T HA -0.056 4.294 4.350 -0.000 0.000 0.271 374 T C 1.097 175.695 174.700 -0.170 0.000 1.085 374 T CA 0.304 62.270 62.100 -0.223 0.000 1.125 374 T CB -0.231 68.403 68.868 -0.389 0.000 0.874 374 T HN 0.069 nan 8.240 nan 0.000 0.494 375 I N 2.040 122.522 120.570 -0.147 0.000 2.396 375 I HA 0.278 4.447 4.170 -0.000 0.000 0.292 375 I C 0.593 176.683 176.117 -0.044 0.000 0.999 375 I CA -0.718 60.532 61.300 -0.084 0.000 1.310 375 I CB 1.474 39.440 38.000 -0.058 0.000 1.404 375 I HN 0.078 nan 8.210 nan 0.000 0.496 376 S N 3.397 119.081 115.700 -0.027 0.000 2.531 376 S HA 0.077 4.546 4.470 -0.000 0.000 0.279 376 S C 0.979 175.604 174.600 0.043 0.000 1.305 376 S CA -0.388 57.814 58.200 0.005 0.000 1.058 376 S CB 0.564 63.769 63.200 0.009 0.000 0.899 376 S HN 0.744 nan 8.310 nan 0.000 0.493 377 S N 3.147 118.885 115.700 0.065 0.000 2.572 377 S HA 0.229 4.698 4.470 -0.000 0.000 0.228 377 S C 0.916 175.699 174.600 0.304 0.000 0.963 377 S CA -0.341 57.925 58.200 0.111 0.000 0.939 377 S CB -0.151 63.040 63.200 -0.015 0.000 0.804 377 S HN 0.827 nan 8.310 nan 0.000 0.480 378 E N 1.558 121.902 120.200 0.240 0.000 2.072 378 E HA -0.088 4.261 4.350 -0.000 0.000 0.191 378 E C 0.196 176.900 176.600 0.173 0.000 0.985 378 E CA 0.769 57.319 56.400 0.249 0.000 0.801 378 E CB -0.091 29.673 29.700 0.108 0.000 0.750 378 E HN 0.490 nan 8.360 nan 0.000 0.452 379 D N 0.717 121.209 120.400 0.155 0.000 2.363 379 D HA -0.030 4.610 4.640 -0.000 0.000 0.263 379 D C 0.773 177.108 176.300 0.060 0.000 1.258 379 D CA 0.051 54.092 54.000 0.068 0.000 0.907 379 D CB 1.446 42.300 40.800 0.090 0.000 1.107 379 D HN -0.202 nan 8.370 nan 0.000 0.495 380 V N 3.510 123.282 119.914 -0.236 0.000 2.759 380 V HA -0.201 3.919 4.120 -0.000 0.000 0.256 380 V C 2.303 178.301 176.094 -0.159 0.000 1.080 380 V CA 2.022 64.044 62.300 -0.463 0.000 1.101 380 V CB -0.339 31.038 31.823 -0.743 0.000 0.698 380 V HN 0.684 nan 8.190 nan 0.000 0.477 381 S N -0.753 114.921 115.700 -0.043 0.000 2.489 381 S HA 0.005 4.474 4.470 -0.000 0.000 0.228 381 S C 0.649 175.329 174.600 0.134 0.000 0.995 381 S CA 0.019 58.233 58.200 0.025 0.000 0.934 381 S CB -0.350 62.869 63.200 0.031 0.000 0.771 381 S HN 0.420 nan 8.310 nan 0.000 0.522 382 F N 3.152 123.126 119.950 0.041 0.000 2.421 382 F HA 0.447 4.974 4.527 -0.000 0.000 0.358 382 F C 1.204 177.078 175.800 0.122 0.000 1.115 382 F CA -1.605 56.446 58.000 0.084 0.000 1.160 382 F CB 0.928 39.979 39.000 0.084 0.000 1.123 382 F HN 0.108 nan 8.300 nan 0.000 0.508 383 E N 3.699 123.600 120.200 -0.499 0.000 2.130 383 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 383 E C 2.191 178.548 176.600 -0.404 0.000 0.998 383 E CA 1.572 57.772 56.400 -0.334 0.000 0.806 383 E CB -0.263 29.348 29.700 -0.148 0.000 0.738 383 E HN 1.022 nan 8.360 nan 0.000 0.459 384 G N 0.745 108.903 108.800 -1.070 0.000 2.450 384 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 384 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 384 G C 1.419 176.008 174.900 -0.519 0.000 1.130 384 G CA 0.878 45.617 45.100 -0.600 0.000 0.760 384 G HN 0.212 nan 8.290 nan 0.000 0.557 385 N N 0.389 118.916 118.700 -0.288 0.000 2.166 385 N HA -0.057 4.682 4.740 -0.000 0.000 0.186 385 N C 2.107 177.347 175.510 -0.449 0.000 1.019 385 N CA 0.475 53.418 53.050 -0.178 0.000 0.856 385 N CB -0.441 38.205 38.487 0.265 0.000 0.993 385 N HN 0.298 nan 8.380 nan 0.000 0.426 386 L N 0.101 121.114 121.223 -0.351 0.000 2.089 386 L HA -0.251 4.088 4.340 -0.000 0.000 0.213 386 L C 1.512 177.931 176.870 -0.752 0.000 1.079 386 L CA 1.740 56.163 54.840 -0.695 0.000 0.758 386 L CB -0.248 41.424 42.059 -0.644 0.000 0.891 386 L HN 0.181 nan 8.230 nan 0.000 0.433 387 Y N -0.558 119.577 120.300 -0.275 0.000 2.365 387 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 387 Y C 2.648 178.474 175.900 -0.124 0.000 1.119 387 Y CA 0.539 58.628 58.100 -0.018 0.000 1.203 387 Y CB -0.228 38.370 38.460 0.230 0.000 1.026 387 Y HN 0.083 nan 8.280 nan 0.000 0.549 388 R N -0.591 119.786 120.500 -0.206 0.000 2.148 388 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 388 R C 1.478 177.591 176.300 -0.312 0.000 1.103 388 R CA 1.323 57.286 56.100 -0.229 0.000 0.983 388 R CB -0.281 29.857 30.300 -0.269 0.000 0.874 388 R HN 0.275 nan 8.270 nan 0.000 0.451 389 I N -0.283 119.991 120.570 -0.494 0.000 2.731 389 I HA -0.092 4.078 4.170 -0.000 0.000 0.260 389 I C 1.805 177.701 176.117 -0.368 0.000 1.138 389 I CA 0.558 61.561 61.300 -0.494 0.000 1.461 389 I CB -0.035 37.346 38.000 -1.031 0.000 1.128 389 I HN 0.043 nan 8.210 nan 0.000 0.438 390 L N 0.890 121.855 121.223 -0.430 0.000 2.217 390 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 390 L C 2.534 179.164 176.870 -0.399 0.000 1.107 390 L CA 1.569 56.222 54.840 -0.312 0.000 0.783 390 L CB -0.913 40.974 42.059 -0.286 0.000 0.919 390 L HN 0.481 nan 8.230 nan 0.000 0.442 391 Q N -1.831 117.532 119.800 -0.729 0.000 2.197 391 Q HA -0.255 4.084 4.340 -0.000 0.000 0.207 391 Q C 1.365 176.987 176.000 -0.631 0.000 0.984 391 Q CA 2.015 57.134 55.803 -1.140 0.000 0.869 391 Q CB -0.757 27.140 28.738 -1.402 0.000 0.906 391 Q HN 0.595 nan 8.270 nan 0.000 0.426 392 H N -0.198 118.727 119.070 -0.240 0.000 2.562 392 H HA 0.214 4.770 4.556 -0.000 0.000 0.267 392 H C 1.639 176.928 175.328 -0.064 0.000 0.959 392 H CA 0.582 56.561 56.048 -0.115 0.000 1.204 392 H CB 0.515 30.219 29.762 -0.097 0.000 1.430 392 H HN 0.285 nan 8.280 nan 0.000 0.545 393 L N 0.310 121.545 121.223 0.020 0.000 2.590 393 L HA 0.130 4.470 4.340 -0.000 0.000 0.227 393 L C 0.520 177.469 176.870 0.131 0.000 1.099 393 L CA -0.023 54.882 54.840 0.108 0.000 0.872 393 L CB 0.632 42.804 42.059 0.188 0.000 1.088 393 L HN -0.139 nan 8.230 nan 0.000 0.479 394 V N 2.575 122.457 119.914 -0.052 0.000 2.493 394 V HA 0.044 4.164 4.120 -0.000 0.000 0.292 394 V C -1.859 174.168 176.094 -0.112 0.000 1.016 394 V CA -1.032 61.179 62.300 -0.148 0.000 1.097 394 V CB -0.095 31.307 31.823 -0.702 0.000 0.947 394 V HN 0.033 nan 8.190 nan 0.000 0.479 395 P HA 0.071 nan 4.420 nan 0.000 0.267 395 P C -0.005 177.339 177.300 0.074 0.000 1.200 395 P CA -0.117 62.983 63.100 -0.001 0.000 0.772 395 P CB 0.393 32.070 31.700 -0.038 0.000 0.855 396 E N 2.781 123.039 120.200 0.097 0.000 2.415 396 E HA -0.050 4.300 4.350 -0.000 0.000 0.263 396 E C 0.321 176.998 176.600 0.127 0.000 0.995 396 E CA 0.177 56.662 56.400 0.142 0.000 0.915 396 E CB -0.231 29.528 29.700 0.097 0.000 0.951 396 E HN 0.425 nan 8.360 nan 0.000 0.449 397 N N 0.651 119.450 118.700 0.166 0.000 2.741 397 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 397 N C -0.278 175.319 175.510 0.145 0.000 1.112 397 N CA 1.307 54.440 53.050 0.139 0.000 0.750 397 N CB -1.657 36.885 38.487 0.091 0.000 1.119 397 N HN 0.553 nan 8.380 nan 0.000 0.561 398 S N -1.716 114.087 115.700 0.171 0.000 2.745 398 S HA 0.750 5.220 4.470 -0.000 0.000 0.292 398 S C 0.279 175.013 174.600 0.223 0.000 1.127 398 S CA -0.511 57.782 58.200 0.154 0.000 1.007 398 S CB 2.349 65.607 63.200 0.097 0.000 1.165 398 S HN 0.075 nan 8.310 nan 0.000 0.544 399 S N 0.276 116.114 115.700 0.230 0.000 2.532 399 S HA 0.626 5.096 4.470 -0.000 0.000 0.301 399 S C -1.204 173.560 174.600 0.273 0.000 1.083 399 S CA -0.641 57.747 58.200 0.314 0.000 1.025 399 S CB 1.118 64.594 63.200 0.461 0.000 1.056 399 S HN 0.681 nan 8.310 nan 0.000 0.494 400 L N 3.322 124.710 121.223 0.274 0.000 2.295 400 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 400 L C -1.253 175.767 176.870 0.251 0.000 1.018 400 L CA -0.446 54.529 54.840 0.225 0.000 0.841 400 L CB 0.079 42.232 42.059 0.157 0.000 1.218 400 L HN 0.607 nan 8.230 nan 0.000 0.424 401 F N 4.945 125.004 119.950 0.183 0.000 2.438 401 F HA 0.526 5.052 4.527 -0.000 0.000 0.356 401 F C -0.198 175.658 175.800 0.093 0.000 1.099 401 F CA -0.050 58.049 58.000 0.165 0.000 1.185 401 F CB 1.059 40.136 39.000 0.129 0.000 1.115 401 F HN 0.216 nan 8.300 nan 0.000 0.526 402 V N 6.130 126.020 119.914 -0.039 0.000 2.384 402 V HA 0.442 4.562 4.120 -0.000 0.000 0.287 402 V C 0.614 176.759 176.094 0.084 0.000 1.020 402 V CA -0.796 61.521 62.300 0.028 0.000 0.850 402 V CB 1.067 32.829 31.823 -0.102 0.000 0.987 402 V HN 0.936 nan 8.190 nan 0.000 0.436 403 G N 3.763 112.653 108.800 0.149 0.000 2.614 403 G HA2 0.125 4.085 3.960 -0.000 0.000 0.239 403 G HA3 0.125 4.085 3.960 -0.000 0.000 0.239 403 G C 0.161 175.078 174.900 0.029 0.000 1.240 403 G CA -0.320 44.855 45.100 0.124 0.000 0.842 403 G HN 0.640 nan 8.290 nan 0.000 0.584 404 N N -0.676 118.033 118.700 0.014 0.000 2.328 404 N HA 0.278 5.018 4.740 -0.000 0.000 0.277 404 N C 1.051 176.526 175.510 -0.059 0.000 1.286 404 N CA 0.480 53.508 53.050 -0.037 0.000 0.949 404 N CB 0.841 39.307 38.487 -0.035 0.000 1.136 404 N HN 0.706 nan 8.380 nan 0.000 0.550 405 S N -1.168 114.477 115.700 -0.091 0.000 3.851 405 S HA -0.213 4.257 4.470 -0.000 0.000 0.629 405 S C 1.312 175.821 174.600 -0.153 0.000 2.251 405 S CA 0.871 58.994 58.200 -0.128 0.000 3.800 405 S CB -0.950 62.186 63.200 -0.107 0.000 0.245 405 S HN 0.542 nan 8.310 nan 0.000 0.939 406 M N 2.043 121.559 119.600 -0.140 0.000 2.254 406 M HA 0.069 4.549 4.480 -0.000 0.000 0.265 406 M C -0.954 175.209 176.300 -0.228 0.000 1.066 406 M CA 1.572 56.764 55.300 -0.180 0.000 1.123 406 M CB -2.543 29.991 32.600 -0.110 0.000 1.388 406 M HN 0.360 nan 8.290 nan 0.000 0.425 407 P HA -0.195 nan 4.420 nan 0.000 0.215 407 P C 1.757 178.873 177.300 -0.308 0.000 1.163 407 P CA 1.271 64.284 63.100 -0.144 0.000 0.894 407 P CB -0.174 31.551 31.700 0.042 0.000 0.791 408 I N -0.786 119.654 120.570 -0.218 0.000 2.286 408 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 408 I C 2.157 178.094 176.117 -0.299 0.000 1.115 408 I CA 1.516 62.671 61.300 -0.242 0.000 1.392 408 I CB -0.524 37.370 38.000 -0.175 0.000 1.065 408 I HN -0.196 nan 8.210 nan 0.000 0.418 409 R N 0.024 120.339 120.500 -0.308 0.000 2.115 409 R HA -0.109 4.231 4.340 -0.000 0.000 0.226 409 R C 1.828 177.894 176.300 -0.391 0.000 1.100 409 R CA 1.384 57.285 56.100 -0.331 0.000 0.980 409 R CB -0.356 29.736 30.300 -0.347 0.000 0.875 409 R HN 0.369 nan 8.270 nan 0.000 0.445 410 D N 0.037 120.141 120.400 -0.493 0.000 2.123 410 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 410 D C 1.941 177.939 176.300 -0.504 0.000 0.976 410 D CA 0.894 54.557 54.000 -0.562 0.000 0.831 410 D CB -0.037 40.148 40.800 -1.025 0.000 0.974 410 D HN -0.042 nan 8.370 nan 0.000 0.469 411 V N 1.405 120.942 119.914 -0.627 0.000 2.332 411 V HA -0.240 3.879 4.120 -0.000 0.000 0.248 411 V C 2.205 178.100 176.094 -0.331 0.000 1.055 411 V CA 1.842 63.811 62.300 -0.553 0.000 1.038 411 V CB -0.402 30.978 31.823 -0.738 0.000 0.651 411 V HN 0.136 nan 8.190 nan 0.000 0.450 412 D N -0.163 120.040 120.400 -0.328 0.000 2.117 412 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 412 D C 2.186 178.287 176.300 -0.331 0.000 0.987 412 D CA 1.974 55.799 54.000 -0.290 0.000 0.829 412 D CB -0.105 40.520 40.800 -0.292 0.000 0.961 412 D HN 0.429 nan 8.370 nan 0.000 0.460 413 T N -0.955 113.360 114.554 -0.399 0.000 2.812 413 T HA -0.061 4.288 4.350 -0.000 0.000 0.264 413 T C 1.335 175.757 174.700 -0.464 0.000 1.042 413 T CA 0.898 62.651 62.100 -0.579 0.000 1.140 413 T CB -0.158 68.176 68.868 -0.890 0.000 0.870 413 T HN 0.124 nan 8.240 nan 0.000 0.445 414 F N -0.811 119.184 119.950 0.075 0.000 2.694 414 F HA 0.435 4.961 4.527 -0.001 0.000 0.292 414 F C 0.448 176.407 175.800 0.265 0.000 1.121 414 F CA -1.461 56.648 58.000 0.183 0.000 1.352 414 F CB -0.091 39.036 39.000 0.212 0.000 1.107 414 F HN 0.056 nan 8.300 nan 0.000 0.597 415 F N 2.161 122.192 119.950 0.135 0.000 2.502 415 F HA 0.170 4.697 4.527 -0.001 0.000 0.371 415 F C 0.668 176.509 175.800 0.068 0.000 1.083 415 F CA -0.434 57.619 58.000 0.089 0.000 1.174 415 F CB 0.186 39.240 39.000 0.089 0.000 1.096 415 F HN -0.050 nan 8.300 nan 0.000 0.545 416 E N 3.369 123.652 120.200 0.138 0.000 2.239 416 E HA 0.237 4.587 4.350 -0.000 0.000 0.261 416 E C -0.682 175.978 176.600 0.101 0.000 1.016 416 E CA -1.266 55.212 56.400 0.130 0.000 0.882 416 E CB 0.963 30.739 29.700 0.127 0.000 1.190 416 E HN 0.442 nan 8.360 nan 0.000 0.415 417 K N 1.128 121.591 120.400 0.104 0.000 2.414 417 K HA 0.040 4.360 4.320 -0.000 0.000 0.272 417 K C -0.461 176.168 176.600 0.048 0.000 0.993 417 K CA -0.124 56.207 56.287 0.074 0.000 0.964 417 K CB 0.241 32.791 32.500 0.082 0.000 0.925 417 K HN 0.609 nan 8.250 nan 0.000 0.487 418 Q N 0.582 120.387 119.800 0.008 0.000 2.479 418 Q HA 0.168 4.507 4.340 -0.000 0.000 0.276 418 Q C -1.188 174.781 176.000 -0.052 0.000 0.989 418 Q CA -0.894 54.913 55.803 0.008 0.000 0.864 418 Q CB 1.157 29.926 28.738 0.052 0.000 1.444 418 Q HN 0.480 nan 8.270 nan 0.000 0.388 419 D N 0.749 121.125 120.400 -0.041 0.000 2.310 419 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 419 D C -0.202 176.060 176.300 -0.064 0.000 0.965 419 D CA 0.760 54.712 54.000 -0.080 0.000 0.879 419 D CB 0.243 41.013 40.800 -0.050 0.000 0.921 419 D HN 0.346 nan 8.370 nan 0.000 0.510 420 R N 1.995 122.494 120.500 -0.002 0.000 2.401 420 R HA 0.192 4.531 4.340 -0.000 0.000 0.299 420 R C -2.255 174.048 176.300 0.005 0.000 1.064 420 R CA -1.179 54.956 56.100 0.059 0.000 1.000 420 R CB 0.199 30.601 30.300 0.169 0.000 0.973 420 R HN 0.023 nan 8.270 nan 0.000 0.438 421 P HA 0.154 nan 4.420 nan 0.000 0.287 421 P C -1.100 176.276 177.300 0.126 0.000 1.281 421 P CA -0.101 62.985 63.100 -0.024 0.000 0.781 421 P CB 0.492 32.199 31.700 0.011 0.000 0.903 422 F N -0.141 119.832 119.950 0.038 0.000 2.741 422 F HA 0.607 5.134 4.527 -0.000 0.000 0.311 422 F C -1.118 174.685 175.800 0.007 0.000 1.149 422 F CA -1.436 56.590 58.000 0.043 0.000 0.930 422 F CB 1.403 40.446 39.000 0.071 0.000 1.312 422 F HN -0.002 nan 8.300 nan 0.000 0.450 423 R N 1.825 122.456 120.500 0.218 0.000 2.445 423 R HA 0.701 5.041 4.340 -0.000 0.000 0.308 423 R C -1.230 175.014 176.300 -0.093 0.000 0.961 423 R CA -0.811 55.248 56.100 -0.068 0.000 0.862 423 R CB 1.937 32.119 30.300 -0.197 0.000 1.144 423 R HN 0.670 nan 8.270 nan 0.000 0.447 424 I N 4.002 124.438 120.570 -0.224 0.000 2.336 424 I HA 0.286 4.455 4.170 -0.000 0.000 0.292 424 I C -0.670 175.174 176.117 -0.456 0.000 0.991 424 I CA -0.491 60.703 61.300 -0.177 0.000 1.227 424 I CB 0.776 38.733 38.000 -0.072 0.000 1.366 424 I HN 0.458 nan 8.210 nan 0.000 0.466 425 Y N 3.659 123.846 120.300 -0.188 0.000 2.549 425 Y HA 0.642 5.192 4.550 -0.000 0.000 0.339 425 Y C 0.302 175.684 175.900 -0.863 0.000 1.053 425 Y CA -0.640 57.212 58.100 -0.413 0.000 1.105 425 Y CB 2.260 40.513 38.460 -0.345 0.000 1.258 425 Y HN 0.464 nan 8.280 nan 0.000 0.478 426 S N 0.812 116.151 115.700 -0.602 0.000 2.558 426 S HA 0.274 4.744 4.470 -0.000 0.000 0.277 426 S C -1.769 172.725 174.600 -0.176 0.000 1.143 426 S CA -0.940 56.921 58.200 -0.564 0.000 0.865 426 S CB 0.626 63.657 63.200 -0.281 0.000 1.102 426 S HN 0.637 nan 8.310 nan 0.000 0.454 427 N N 2.845 121.566 118.700 0.036 0.000 2.895 427 N HA 0.240 4.980 4.740 -0.000 0.000 0.277 427 N C 0.469 176.021 175.510 0.070 0.000 1.185 427 N CA -0.201 52.938 53.050 0.148 0.000 1.106 427 N CB 0.197 38.832 38.487 0.247 0.000 1.422 427 N HN 0.313 nan 8.380 nan 0.000 0.521 428 R N -0.058 120.465 120.500 0.039 0.000 2.317 428 R HA 0.175 4.515 4.340 -0.000 0.000 0.208 428 R C 1.718 178.037 176.300 0.031 0.000 0.914 428 R CA -0.117 55.989 56.100 0.010 0.000 1.060 428 R CB -0.377 29.913 30.300 -0.017 0.000 1.015 428 R HN 0.412 nan 8.270 nan 0.000 0.498 429 G N 0.413 109.261 108.800 0.080 0.000 2.421 429 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 429 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 429 G C 1.065 175.996 174.900 0.052 0.000 1.171 429 G CA 0.950 46.128 45.100 0.129 0.000 0.775 429 G HN 0.390 nan 8.290 nan 0.000 0.543 430 A N -0.982 121.859 122.820 0.036 0.000 2.551 430 A HA 0.374 4.694 4.320 -0.000 0.000 0.252 430 A C 0.848 178.410 177.584 -0.035 0.000 1.199 430 A CA 0.641 52.650 52.037 -0.047 0.000 0.972 430 A CB -0.139 18.855 19.000 -0.011 0.000 1.153 430 A HN 0.406 nan 8.150 nan 0.000 0.559 431 N N -0.466 118.228 118.700 -0.009 0.000 2.747 431 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 431 N C 0.541 176.036 175.510 -0.024 0.000 1.107 431 N CA 0.054 53.090 53.050 -0.023 0.000 0.707 431 N CB -1.039 37.418 38.487 -0.049 0.000 1.054 431 N HN 0.619 nan 8.380 nan 0.000 0.555 432 G N 0.630 109.424 108.800 -0.010 0.000 2.415 432 G HA2 0.460 4.420 3.960 -0.000 0.000 0.269 432 G HA3 0.460 4.420 3.960 -0.000 0.000 0.269 432 G C 1.146 175.978 174.900 -0.112 0.000 1.209 432 G CA -0.539 44.530 45.100 -0.050 0.000 0.835 432 G HN 0.404 nan 8.290 nan 0.000 0.534 433 I N -0.871 119.593 120.570 -0.176 0.000 3.564 433 I HA 0.154 4.324 4.170 -0.000 0.000 0.294 433 I C -0.243 175.598 176.117 -0.459 0.000 1.289 433 I CA -0.533 60.634 61.300 -0.223 0.000 1.325 433 I CB -0.240 37.680 38.000 -0.134 0.000 1.039 433 I HN 0.242 nan 8.210 nan 0.000 0.474 434 D N 1.446 121.491 120.400 -0.592 0.000 2.264 434 D HA 0.295 4.935 4.640 -0.000 0.000 0.249 434 D C 1.153 176.918 176.300 -0.892 0.000 1.070 434 D CA 0.008 53.593 54.000 -0.691 0.000 0.912 434 D CB 1.424 41.969 40.800 -0.425 0.000 1.193 434 D HN 0.249 nan 8.370 nan 0.000 0.427 435 G N 0.479 108.762 108.800 -0.863 0.000 2.168 435 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 435 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 435 G C 1.020 175.476 174.900 -0.741 0.000 0.977 435 G CA 0.425 44.773 45.100 -1.253 0.000 0.659 435 G HN 0.476 nan 8.290 nan 0.000 0.533 436 V N 0.106 119.737 119.914 -0.471 0.000 2.332 436 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 436 V C 2.929 178.824 176.094 -0.332 0.000 1.055 436 V CA 2.358 64.485 62.300 -0.289 0.000 1.038 436 V CB -0.630 31.138 31.823 -0.093 0.000 0.651 436 V HN 0.403 nan 8.190 nan 0.000 0.450 437 V N -0.294 119.497 119.914 -0.205 0.000 2.255 437 V HA -0.271 3.848 4.120 -0.000 0.000 0.247 437 V C 2.549 178.543 176.094 -0.168 0.000 1.051 437 V CA 2.470 64.684 62.300 -0.143 0.000 1.018 437 V CB -0.887 30.881 31.823 -0.090 0.000 0.641 437 V HN 0.554 nan 8.190 nan 0.000 0.445 438 S N -0.126 115.497 115.700 -0.128 0.000 2.400 438 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 438 S C 2.221 176.813 174.600 -0.014 0.000 1.025 438 S CA 1.693 59.898 58.200 0.009 0.000 0.993 438 S CB -0.309 62.951 63.200 0.100 0.000 0.808 438 S HN 0.603 nan 8.310 nan 0.000 0.478 439 S N 1.358 116.937 115.700 -0.201 0.000 2.368 439 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 439 S C 2.271 176.520 174.600 -0.585 0.000 1.029 439 S CA 0.939 58.944 58.200 -0.326 0.000 0.988 439 S CB -0.423 62.564 63.200 -0.354 0.000 0.838 439 S HN 0.619 nan 8.310 nan 0.000 0.462 440 A N 1.732 124.053 122.820 -0.832 0.000 1.930 440 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 440 A C 2.117 179.584 177.584 -0.195 0.000 1.175 440 A CA 1.242 52.938 52.037 -0.568 0.000 0.627 440 A CB -0.511 18.240 19.000 -0.415 0.000 0.815 440 A HN 0.347 nan 8.150 nan 0.000 0.443 441 M N -0.408 119.134 119.600 -0.097 0.000 2.080 441 M HA -0.139 4.341 4.480 -0.000 0.000 0.260 441 M C 2.351 178.649 176.300 -0.004 0.000 1.068 441 M CA 1.634 56.979 55.300 0.075 0.000 1.109 441 M CB -1.933 30.807 32.600 0.235 0.000 1.342 441 M HN 0.480 nan 8.290 nan 0.000 0.405 442 G N -0.125 108.527 108.800 -0.247 0.000 2.476 442 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.218 442 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.218 442 G C 1.653 176.269 174.900 -0.473 0.000 1.164 442 G CA 1.184 45.800 45.100 -0.808 0.000 0.768 442 G HN 0.358 nan 8.290 nan 0.000 0.560 443 V N 0.015 119.753 119.914 -0.293 0.000 2.407 443 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 443 V C 2.952 178.965 176.094 -0.135 0.000 1.055 443 V CA 1.724 63.883 62.300 -0.234 0.000 1.049 443 V CB -0.623 31.085 31.823 -0.193 0.000 0.662 443 V HN 0.609 nan 8.190 nan 0.000 0.455 444 C N -0.093 119.161 119.300 -0.078 0.000 2.436 444 C HA -0.141 4.318 4.460 -0.000 0.000 0.277 444 C C 2.826 177.796 174.990 -0.033 0.000 1.241 444 C CA 1.200 60.210 59.018 -0.014 0.000 1.721 444 C CB -0.908 26.849 27.740 0.028 0.000 2.043 444 C HN 0.581 nan 8.230 nan 0.000 0.472 445 E N 0.112 120.270 120.200 -0.071 0.000 2.130 445 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 445 E C 2.227 178.764 176.600 -0.105 0.000 0.998 445 E CA 1.743 58.095 56.400 -0.080 0.000 0.806 445 E CB -0.735 28.863 29.700 -0.171 0.000 0.738 445 E HN 0.802 nan 8.360 nan 0.000 0.459 446 G N -0.198 108.503 108.800 -0.164 0.000 2.430 446 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.216 446 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.216 446 G C 1.654 176.517 174.900 -0.062 0.000 1.146 446 G CA 1.378 46.395 45.100 -0.138 0.000 0.793 446 G HN 0.421 nan 8.290 nan 0.000 0.537 447 T N -2.583 111.952 114.554 -0.033 0.000 3.037 447 T HA 0.196 4.546 4.350 -0.000 0.000 0.252 447 T C 1.416 176.135 174.700 0.032 0.000 1.073 447 T CA 0.751 62.864 62.100 0.022 0.000 1.091 447 T CB 0.094 69.004 68.868 0.070 0.000 0.935 447 T HN 0.185 nan 8.240 nan 0.000 0.488 448 K N 0.487 120.900 120.400 0.022 0.000 3.104 448 K HA -0.155 4.165 4.320 -0.000 0.000 0.285 448 K C 0.273 176.898 176.600 0.042 0.000 1.136 448 K CA 0.626 56.932 56.287 0.032 0.000 0.842 448 K CB -1.852 30.666 32.500 0.031 0.000 1.217 448 K HN 0.804 nan 8.250 nan 0.000 0.467 449 A N -0.210 122.643 122.820 0.054 0.000 2.309 449 A HA 0.740 5.060 4.320 -0.000 0.000 0.317 449 A C -2.577 175.047 177.584 0.067 0.000 1.134 449 A CA -1.548 50.526 52.037 0.062 0.000 0.866 449 A CB 0.818 19.866 19.000 0.080 0.000 1.329 449 A HN -0.075 nan 8.150 nan 0.000 0.477 450 P HA 0.404 nan 4.420 nan 0.000 0.272 450 P C -1.062 176.295 177.300 0.095 0.000 1.223 450 P CA -0.094 63.041 63.100 0.059 0.000 0.784 450 P CB 0.786 32.501 31.700 0.026 0.000 0.923 451 V N 1.959 121.932 119.914 0.100 0.000 2.638 451 V HA 0.348 4.468 4.120 -0.000 0.000 0.306 451 V C -0.161 176.021 176.094 0.146 0.000 1.052 451 V CA -0.384 62.002 62.300 0.144 0.000 0.885 451 V CB 2.185 34.094 31.823 0.144 0.000 0.999 451 V HN 0.441 nan 8.190 nan 0.000 0.424 452 T N 5.788 120.452 114.554 0.183 0.000 2.758 452 T HA 0.547 4.897 4.350 -0.000 0.000 0.285 452 T C -0.571 174.246 174.700 0.195 0.000 0.981 452 T CA -0.183 62.038 62.100 0.201 0.000 0.965 452 T CB 1.117 70.141 68.868 0.261 0.000 0.927 452 T HN 0.456 nan 8.240 nan 0.000 0.448 453 L N 6.054 127.368 121.223 0.152 0.000 2.262 453 L HA 0.592 4.932 4.340 -0.000 0.000 0.288 453 L C -0.811 176.112 176.870 0.087 0.000 1.035 453 L CA -0.410 54.521 54.840 0.152 0.000 0.820 453 L CB 0.710 42.827 42.059 0.096 0.000 1.204 453 L HN 0.387 nan 8.230 nan 0.000 0.424 454 V N 7.154 127.133 119.914 0.108 0.000 2.383 454 V HA 0.525 4.645 4.120 -0.000 0.000 0.275 454 V C 0.073 176.206 176.094 0.065 0.000 1.036 454 V CA -0.344 61.983 62.300 0.045 0.000 0.889 454 V CB 1.060 32.917 31.823 0.055 0.000 0.985 454 V HN 0.773 nan 8.190 nan 0.000 0.459 455 I N 2.793 123.360 120.570 -0.004 0.000 2.775 455 I HA 0.720 4.889 4.170 -0.000 0.000 0.295 455 I C 0.464 176.559 176.117 -0.036 0.000 1.287 455 I CA -0.368 60.937 61.300 0.010 0.000 1.029 455 I CB 2.161 40.181 38.000 0.034 0.000 1.282 455 I HN 0.725 nan 8.210 nan 0.000 0.426 456 G N 3.518 112.326 108.800 0.013 0.000 2.562 456 G HA2 0.161 4.121 3.960 -0.000 0.000 0.275 456 G HA3 0.161 4.121 3.960 -0.000 0.000 0.275 456 G C 0.585 175.504 174.900 0.032 0.000 1.196 456 G CA 0.147 45.255 45.100 0.013 0.000 0.908 456 G HN 0.782 nan 8.290 nan 0.000 0.524 457 D N -0.347 120.080 120.400 0.044 0.000 2.149 457 D HA -0.137 4.502 4.640 -0.000 0.000 0.201 457 D C 2.322 178.772 176.300 0.250 0.000 0.972 457 D CA 0.644 54.686 54.000 0.069 0.000 0.835 457 D CB -0.141 40.757 40.800 0.164 0.000 0.966 457 D HN 0.340 nan 8.370 nan 0.000 0.476 458 L N 0.608 121.978 121.223 0.245 0.000 2.027 458 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 458 L C 2.899 179.981 176.870 0.354 0.000 1.074 458 L CA 1.181 56.215 54.840 0.323 0.000 0.745 458 L CB -0.620 41.596 42.059 0.261 0.000 0.898 458 L HN 0.095 nan 8.230 nan 0.000 0.433 459 S N -0.255 115.580 115.700 0.227 0.000 2.368 459 S HA -0.223 4.247 4.470 -0.000 0.000 0.225 459 S C 1.979 176.692 174.600 0.188 0.000 1.030 459 S CA 1.201 59.495 58.200 0.157 0.000 0.999 459 S CB -0.324 62.919 63.200 0.072 0.000 0.844 459 S HN 0.395 nan 8.310 nan 0.000 0.459 460 F N 0.759 120.726 119.950 0.029 0.000 2.146 460 F HA -0.108 4.418 4.527 -0.000 0.000 0.298 460 F C 2.118 177.970 175.800 0.087 0.000 1.096 460 F CA 1.780 59.762 58.000 -0.030 0.000 1.275 460 F CB -0.532 38.343 39.000 -0.208 0.000 1.008 460 F HN 0.419 nan 8.300 nan 0.000 0.480 461 Y N 0.269 120.627 120.300 0.097 0.000 2.165 461 Y HA -0.322 4.228 4.550 -0.001 0.000 0.286 461 Y C 2.732 178.654 175.900 0.037 0.000 1.155 461 Y CA 2.305 60.480 58.100 0.126 0.000 1.164 461 Y CB -1.364 37.265 38.460 0.281 0.000 0.978 461 Y HN 0.188 nan 8.280 nan 0.000 0.513 462 H N -0.486 118.413 119.070 -0.284 0.000 2.319 462 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 462 H C 0.590 175.698 175.328 -0.367 0.000 1.097 462 H CA 2.171 57.987 56.048 -0.385 0.000 1.285 462 H CB -0.302 29.381 29.762 -0.131 0.000 1.368 462 H HN 0.422 nan 8.280 nan 0.000 0.495 463 D N -0.038 120.281 120.400 -0.135 0.000 2.755 463 D HA 0.039 4.679 4.640 -0.000 0.000 0.257 463 D C 1.439 177.569 176.300 -0.284 0.000 1.291 463 D CA -0.214 53.674 54.000 -0.185 0.000 0.836 463 D CB -0.212 40.483 40.800 -0.176 0.000 1.059 463 D HN 0.071 nan 8.370 nan 0.000 0.486 464 L N 0.624 121.639 121.223 -0.346 0.000 2.137 464 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 464 L C 1.698 178.373 176.870 -0.325 0.000 1.085 464 L CA 1.399 56.023 54.840 -0.360 0.000 0.760 464 L CB -0.859 41.111 42.059 -0.149 0.000 0.893 464 L HN 0.210 nan 8.230 nan 0.000 0.434 465 N N -0.431 118.143 118.700 -0.211 0.000 2.289 465 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 465 N C 1.832 177.177 175.510 -0.276 0.000 1.016 465 N CA 1.161 54.110 53.050 -0.168 0.000 0.872 465 N CB -0.532 37.913 38.487 -0.071 0.000 0.973 465 N HN 0.423 nan 8.380 nan 0.000 0.433 466 G N 0.266 108.908 108.800 -0.263 0.000 2.509 466 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.218 466 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.218 466 G C 1.440 176.158 174.900 -0.305 0.000 1.124 466 G CA 0.162 45.129 45.100 -0.222 0.000 0.776 466 G HN 0.276 nan 8.290 nan 0.000 0.547 467 L N -0.239 120.669 121.223 -0.525 0.000 2.265 467 L HA -0.001 4.339 4.340 -0.000 0.000 0.215 467 L C 2.559 179.096 176.870 -0.555 0.000 1.117 467 L CA 0.085 54.572 54.840 -0.587 0.000 0.782 467 L CB -0.317 41.251 42.059 -0.818 0.000 0.914 467 L HN 0.210 nan 8.230 nan 0.000 0.441 468 L N 0.443 121.309 121.223 -0.595 0.000 2.263 468 L HA -0.196 4.143 4.340 -0.000 0.000 0.216 468 L C 2.555 179.370 176.870 -0.092 0.000 1.111 468 L CA 1.790 56.540 54.840 -0.150 0.000 0.773 468 L CB -0.559 41.486 42.059 -0.024 0.000 0.906 468 L HN 0.176 nan 8.230 nan 0.000 0.439 469 A N -0.811 121.911 122.820 -0.163 0.000 1.969 469 A HA -0.022 4.297 4.320 -0.000 0.000 0.218 469 A C 2.452 179.997 177.584 -0.065 0.000 1.169 469 A CA 1.414 53.354 52.037 -0.162 0.000 0.635 469 A CB -0.920 17.933 19.000 -0.244 0.000 0.810 469 A HN 0.558 nan 8.150 nan 0.000 0.445 470 A N 1.325 124.127 122.820 -0.030 0.000 1.842 470 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 470 A C 2.197 179.808 177.584 0.046 0.000 1.206 470 A CA 2.427 54.481 52.037 0.028 0.000 0.630 470 A CB -0.639 18.396 19.000 0.058 0.000 0.839 470 A HN 0.651 nan 8.150 nan 0.000 0.447 471 K N -0.380 120.061 120.400 0.069 0.000 1.984 471 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 471 K C 2.094 178.722 176.600 0.046 0.000 1.046 471 K CA 1.817 58.146 56.287 0.070 0.000 0.934 471 K CB -0.494 32.063 32.500 0.096 0.000 0.717 471 K HN 0.372 nan 8.250 nan 0.000 0.438 472 K N 0.638 121.059 120.400 0.035 0.000 2.103 472 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 472 K C 1.796 178.401 176.600 0.009 0.000 1.048 472 K CA 1.408 57.706 56.287 0.017 0.000 0.930 472 K CB 0.005 32.507 32.500 0.002 0.000 0.716 472 K HN 0.278 nan 8.250 nan 0.000 0.444 473 L N -0.524 120.697 121.223 -0.003 0.000 2.857 473 L HA 0.251 4.591 4.340 -0.000 0.000 0.249 473 L C 0.652 177.551 176.870 0.048 0.000 1.172 473 L CA 0.037 54.889 54.840 0.021 0.000 0.980 473 L CB 0.872 42.922 42.059 -0.015 0.000 1.299 473 L HN 0.302 nan 8.230 nan 0.000 0.535 474 G N 1.709 110.534 108.800 0.042 0.000 2.341 474 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.292 474 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.292 474 G C 0.125 175.058 174.900 0.056 0.000 1.021 474 G CA 0.153 45.283 45.100 0.049 0.000 0.905 474 G HN 0.378 nan 8.290 nan 0.000 0.508 475 I N 1.791 122.394 120.570 0.055 0.000 2.315 475 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 475 I C -1.712 174.442 176.117 0.062 0.000 1.006 475 I CA -2.351 58.989 61.300 0.067 0.000 1.265 475 I CB 1.576 39.630 38.000 0.089 0.000 1.387 475 I HN -0.051 nan 8.210 nan 0.000 0.475 476 P HA 0.316 nan 4.420 nan 0.000 0.280 476 P C -1.048 176.293 177.300 0.067 0.000 1.244 476 P CA -0.401 62.736 63.100 0.061 0.000 0.784 476 P CB 1.869 33.599 31.700 0.048 0.000 0.913 477 L N 2.653 123.924 121.223 0.080 0.000 2.526 477 L HA 0.395 4.734 4.340 -0.000 0.000 0.263 477 L C -0.787 176.147 176.870 0.106 0.000 0.943 477 L CA -0.031 54.860 54.840 0.086 0.000 0.859 477 L CB 2.204 44.309 42.059 0.076 0.000 1.313 477 L HN 0.208 nan 8.230 nan 0.000 0.406 478 T N 4.079 118.698 114.554 0.109 0.000 2.733 478 T HA 0.571 4.921 4.350 -0.000 0.000 0.294 478 T C -0.538 174.213 174.700 0.085 0.000 0.956 478 T CA -0.247 61.925 62.100 0.121 0.000 0.987 478 T CB 0.855 69.823 68.868 0.165 0.000 0.920 478 T HN 0.329 nan 8.240 nan 0.000 0.470 479 V N 5.872 125.793 119.914 0.011 0.000 2.347 479 V HA 0.399 4.519 4.120 -0.000 0.000 0.280 479 V C 0.224 176.235 176.094 -0.138 0.000 1.021 479 V CA -0.764 61.500 62.300 -0.060 0.000 0.847 479 V CB 1.116 32.879 31.823 -0.101 0.000 0.990 479 V HN 0.819 nan 8.190 nan 0.000 0.444 480 I N 6.156 126.662 120.570 -0.107 0.000 2.282 480 I HA 0.204 4.374 4.170 -0.000 0.000 0.290 480 I C -0.268 175.713 176.117 -0.226 0.000 1.090 480 I CA -0.442 60.777 61.300 -0.135 0.000 1.231 480 I CB 1.044 38.987 38.000 -0.095 0.000 1.434 480 I HN 0.419 nan 8.210 nan 0.000 0.487 481 L N 8.983 130.017 121.223 -0.315 0.000 2.325 481 L HA 0.257 4.597 4.340 -0.000 0.000 0.284 481 L C -0.136 176.589 176.870 -0.241 0.000 1.089 481 L CA 0.043 54.642 54.840 -0.402 0.000 0.836 481 L CB 0.929 42.636 42.059 -0.587 0.000 1.184 481 L HN 0.240 nan 8.230 nan 0.000 0.444 482 V N 5.699 125.507 119.914 -0.176 0.000 2.338 482 V HA 0.248 4.367 4.120 -0.000 0.000 0.255 482 V C 0.286 176.346 176.094 -0.058 0.000 1.082 482 V CA -0.444 61.797 62.300 -0.099 0.000 0.951 482 V CB 0.167 31.966 31.823 -0.039 0.000 1.102 482 V HN 0.788 nan 8.190 nan 0.000 0.489 483 N N 4.526 123.205 118.700 -0.035 0.000 2.589 483 N HA 0.180 4.920 4.740 -0.000 0.000 0.232 483 N C 0.488 176.040 175.510 0.070 0.000 1.015 483 N CA -0.538 52.534 53.050 0.036 0.000 0.931 483 N CB 0.788 39.330 38.487 0.092 0.000 1.150 483 N HN 0.678 nan 8.380 nan 0.000 0.512 484 N N 1.648 120.398 118.700 0.082 0.000 2.273 484 N HA 0.089 4.829 4.740 -0.000 0.000 0.231 484 N C -0.644 174.936 175.510 0.116 0.000 1.134 484 N CA -0.417 52.688 53.050 0.091 0.000 0.856 484 N CB 0.043 38.580 38.487 0.085 0.000 1.068 484 N HN 0.296 nan 8.380 nan 0.000 0.510 485 D N -0.427 120.057 120.400 0.141 0.000 3.003 485 D HA -0.051 4.589 4.640 -0.000 0.000 0.223 485 D C 0.436 176.819 176.300 0.139 0.000 1.204 485 D CA 1.974 56.064 54.000 0.151 0.000 0.828 485 D CB -1.170 39.704 40.800 0.123 0.000 0.918 485 D HN 0.837 nan 8.370 nan 0.000 0.401 486 G N 0.028 108.919 108.800 0.152 0.000 2.325 486 G HA2 0.475 4.434 3.960 -0.000 0.000 0.285 486 G HA3 0.475 4.434 3.960 -0.000 0.000 0.285 486 G C 0.070 175.073 174.900 0.171 0.000 1.303 486 G CA -0.010 45.183 45.100 0.156 0.000 0.970 486 G HN 0.839 nan 8.290 nan 0.000 0.490 487 G N 0.190 109.120 108.800 0.216 0.000 2.922 487 G HA2 0.576 4.536 3.960 -0.000 0.000 0.335 487 G HA3 0.576 4.536 3.960 -0.000 0.000 0.335 487 G C 1.163 176.161 174.900 0.163 0.000 1.016 487 G CA 0.933 46.151 45.100 0.197 0.000 1.306 487 G HN 1.663 nan 8.290 nan 0.000 0.465 488 G N 2.158 111.023 108.800 0.107 0.000 2.462 488 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 488 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 488 G C 1.581 176.558 174.900 0.128 0.000 1.121 488 G CA 0.790 45.968 45.100 0.129 0.000 0.758 488 G HN 0.630 nan 8.290 nan 0.000 0.559 489 I N -0.605 119.945 120.570 -0.033 0.000 2.361 489 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 489 I C 2.131 178.280 176.117 0.053 0.000 1.133 489 I CA 0.995 62.268 61.300 -0.046 0.000 1.413 489 I CB -0.042 37.750 38.000 -0.346 0.000 1.073 489 I HN 0.229 nan 8.210 nan 0.000 0.424 490 F N 0.078 120.198 119.950 0.283 0.000 2.502 490 F HA -0.127 4.400 4.527 -0.001 0.000 0.298 490 F C 2.552 178.598 175.800 0.410 0.000 1.111 490 F CA 0.624 58.811 58.000 0.312 0.000 1.445 490 F CB -0.421 38.723 39.000 0.240 0.000 1.081 490 F HN -0.015 nan 8.300 nan 0.000 0.558 491 S N -0.035 115.941 115.700 0.459 0.000 2.440 491 S HA -0.169 4.300 4.470 -0.000 0.000 0.238 491 S C 1.571 176.124 174.600 -0.078 0.000 1.010 491 S CA 1.010 59.266 58.200 0.093 0.000 0.972 491 S CB -0.560 62.609 63.200 -0.050 0.000 0.774 491 S HN 0.316 nan 8.310 nan 0.000 0.501 492 F N 1.312 121.303 119.950 0.069 0.000 2.604 492 F HA 0.187 4.713 4.527 -0.001 0.000 0.298 492 F C 0.834 176.655 175.800 0.035 0.000 1.131 492 F CA 0.204 58.221 58.000 0.027 0.000 1.457 492 F CB -0.261 38.735 39.000 -0.007 0.000 1.095 492 F HN 0.064 nan 8.300 nan 0.000 0.574 493 L N 1.567 122.914 121.223 0.207 0.000 2.395 493 L HA 0.132 4.472 4.340 -0.000 0.000 0.269 493 L C -0.906 175.983 176.870 0.031 0.000 1.133 493 L CA -1.830 53.089 54.840 0.131 0.000 0.812 493 L CB 0.306 42.447 42.059 0.137 0.000 1.125 493 L HN -0.201 nan 8.230 nan 0.000 0.452 494 P HA -0.190 nan 4.420 nan 0.000 0.216 494 P C 0.905 178.175 177.300 -0.049 0.000 1.150 494 P CA 1.273 64.366 63.100 -0.012 0.000 0.837 494 P CB 0.195 31.900 31.700 0.009 0.000 0.786 495 Q N -0.322 119.447 119.800 -0.050 0.000 2.508 495 Q HA 0.005 4.345 4.340 -0.000 0.000 0.214 495 Q C 2.184 178.122 176.000 -0.102 0.000 0.979 495 Q CA 1.093 56.858 55.803 -0.063 0.000 0.911 495 Q CB -0.718 27.944 28.738 -0.126 0.000 0.969 495 Q HN 0.240 nan 8.270 nan 0.000 0.504 496 A N 0.771 123.436 122.820 -0.259 0.000 2.019 496 A HA -0.171 4.148 4.320 -0.000 0.000 0.219 496 A C 2.126 179.353 177.584 -0.596 0.000 1.164 496 A CA 1.562 53.097 52.037 -0.835 0.000 0.644 496 A CB -0.382 18.190 19.000 -0.712 0.000 0.805 496 A HN 0.427 nan 8.150 nan 0.000 0.449 497 S N 0.037 115.571 115.700 -0.277 0.000 2.593 497 S HA 0.049 4.518 4.470 -0.000 0.000 0.217 497 S C 0.040 174.585 174.600 -0.092 0.000 0.966 497 S CA -0.092 58.005 58.200 -0.171 0.000 0.914 497 S CB -0.061 63.071 63.200 -0.113 0.000 0.776 497 S HN 0.505 nan 8.310 nan 0.000 0.523 498 E N 2.130 122.297 120.200 -0.055 0.000 1.998 498 E HA 0.242 4.591 4.350 -0.000 0.000 0.257 498 E C -0.024 176.617 176.600 0.069 0.000 1.038 498 E CA -0.268 56.143 56.400 0.018 0.000 0.869 498 E CB 0.529 30.266 29.700 0.062 0.000 1.135 498 E HN 0.497 nan 8.360 nan 0.000 0.430 499 K N 0.587 121.006 120.400 0.031 0.000 2.486 499 K HA -0.041 4.279 4.320 -0.000 0.000 0.194 499 K C 1.570 178.208 176.600 0.063 0.000 1.033 499 K CA 0.804 57.136 56.287 0.074 0.000 1.004 499 K CB -0.040 32.476 32.500 0.027 0.000 0.798 499 K HN 0.379 nan 8.250 nan 0.000 0.495 500 T N -0.497 114.042 114.554 -0.025 0.000 2.720 500 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 500 T C 1.536 176.097 174.700 -0.230 0.000 1.037 500 T CA 1.128 63.117 62.100 -0.185 0.000 1.144 500 T CB -0.200 68.466 68.868 -0.337 0.000 0.864 500 T HN 0.270 nan 8.240 nan 0.000 0.444 501 H N -1.328 117.834 119.070 0.153 0.000 2.874 501 H HA 0.384 4.940 4.556 -0.001 0.000 0.264 501 H C 1.537 177.010 175.328 0.242 0.000 1.007 501 H CA -0.592 55.551 56.048 0.158 0.000 1.207 501 H CB -0.175 29.673 29.762 0.143 0.000 1.487 501 H HN 0.368 nan 8.280 nan 0.000 0.505 502 F N 2.688 122.801 119.950 0.271 0.000 2.065 502 F HA -0.228 4.298 4.527 -0.000 0.000 0.298 502 F C 2.422 178.399 175.800 0.296 0.000 1.112 502 F CA 1.853 60.045 58.000 0.319 0.000 1.212 502 F CB 0.253 39.335 39.000 0.136 0.000 0.975 502 F HN -0.017 nan 8.300 nan 0.000 0.476 503 E N 0.675 121.050 120.200 0.292 0.000 2.051 503 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 503 E C 1.916 178.531 176.600 0.025 0.000 0.991 503 E CA 1.796 58.284 56.400 0.148 0.000 0.799 503 E CB -0.546 29.271 29.700 0.195 0.000 0.748 503 E HN 0.423 nan 8.360 nan 0.000 0.449 504 D N -0.533 119.897 120.400 0.050 0.000 2.104 504 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 504 D C 1.805 178.036 176.300 -0.116 0.000 0.994 504 D CA 1.079 55.077 54.000 -0.003 0.000 0.830 504 D CB -0.040 40.790 40.800 0.049 0.000 0.959 504 D HN 0.257 nan 8.370 nan 0.000 0.452 505 L N -1.806 119.290 121.223 -0.212 0.000 2.556 505 L HA 0.171 4.511 4.340 -0.000 0.000 0.226 505 L C 1.345 177.690 176.870 -0.875 0.000 1.089 505 L CA 0.116 54.636 54.840 -0.534 0.000 0.864 505 L CB 0.172 41.812 42.059 -0.697 0.000 1.067 505 L HN -0.064 nan 8.230 nan 0.000 0.477 506 F N -1.238 118.428 119.950 -0.474 0.000 2.496 506 F HA 0.291 4.818 4.527 -0.000 0.000 0.274 506 F C 2.374 177.939 175.800 -0.393 0.000 0.924 506 F CA 0.412 57.990 58.000 -0.702 0.000 1.147 506 F CB -0.781 37.568 39.000 -1.084 0.000 0.969 506 F HN -0.158 nan 8.300 nan 0.000 0.749 507 G N 0.115 108.745 108.800 -0.284 0.000 2.421 507 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 507 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 507 G C 0.763 175.701 174.900 0.063 0.000 1.171 507 G CA 1.506 46.600 45.100 -0.011 0.000 0.775 507 G HN 0.403 nan 8.290 nan 0.000 0.543 508 T N 0.448 115.001 114.554 -0.002 0.000 3.151 508 T HA -0.143 4.206 4.350 -0.000 0.000 0.438 508 T C -1.703 173.022 174.700 0.041 0.000 0.772 508 T CA 0.503 62.606 62.100 0.006 0.000 2.200 508 T CB -1.586 67.275 68.868 -0.012 0.000 1.653 508 T HN 0.437 nan 8.240 nan 0.000 0.581 509 P HA 0.207 nan 4.420 nan 0.000 0.272 509 P C 1.209 178.512 177.300 0.004 0.000 1.230 509 P CA 0.269 63.399 63.100 0.050 0.000 0.788 509 P CB 0.928 32.661 31.700 0.054 0.000 0.949 510 T N -4.226 110.326 114.554 -0.004 0.000 2.969 510 T HA 0.262 4.612 4.350 -0.000 0.000 0.250 510 T C 1.416 176.068 174.700 -0.080 0.000 1.021 510 T CA 0.784 62.832 62.100 -0.085 0.000 1.003 510 T CB -0.792 67.978 68.868 -0.164 0.000 1.040 510 T HN 0.617 nan 8.240 nan 0.000 0.492 511 G N 1.546 110.327 108.800 -0.030 0.000 2.196 511 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.268 511 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.268 511 G C -0.039 174.808 174.900 -0.088 0.000 0.975 511 G CA 0.276 45.356 45.100 -0.033 0.000 0.648 511 G HN 0.583 nan 8.290 nan 0.000 0.538 512 L N 1.263 122.375 121.223 -0.186 0.000 2.490 512 L HA 0.335 4.675 4.340 -0.000 0.000 0.274 512 L C 0.466 177.082 176.870 -0.423 0.000 1.201 512 L CA -0.215 54.389 54.840 -0.393 0.000 0.869 512 L CB 0.883 42.495 42.059 -0.744 0.000 1.123 512 L HN 0.237 nan 8.230 nan 0.000 0.484 513 D N 2.981 123.221 120.400 -0.267 0.000 2.443 513 D HA 0.077 4.716 4.640 -0.000 0.000 0.221 513 D C 0.703 176.910 176.300 -0.155 0.000 1.097 513 D CA -0.220 53.696 54.000 -0.139 0.000 0.865 513 D CB 0.320 41.109 40.800 -0.018 0.000 1.034 513 D HN 0.344 nan 8.370 nan 0.000 0.511 514 F N 2.458 122.482 119.950 0.123 0.000 2.748 514 F HA -0.031 4.495 4.527 -0.000 0.000 0.299 514 F C 2.493 178.360 175.800 0.112 0.000 1.154 514 F CA 0.208 58.340 58.000 0.221 0.000 1.446 514 F CB 0.114 39.340 39.000 0.376 0.000 1.112 514 F HN 0.394 nan 8.300 nan 0.000 0.584 515 K N 0.172 120.495 120.400 -0.128 0.000 2.209 515 K HA -0.206 4.114 4.320 -0.000 0.000 0.204 515 K C 1.424 177.880 176.600 -0.240 0.000 1.048 515 K CA 1.673 57.643 56.287 -0.527 0.000 0.940 515 K CB -0.605 31.214 32.500 -1.135 0.000 0.729 515 K HN 0.303 nan 8.250 nan 0.000 0.451 516 H N 0.734 119.781 119.070 -0.038 0.000 2.423 516 H HA 0.041 4.596 4.556 -0.000 0.000 0.297 516 H C 2.231 177.585 175.328 0.044 0.000 1.075 516 H CA 1.444 57.481 56.048 -0.019 0.000 1.342 516 H CB -0.057 29.677 29.762 -0.047 0.000 1.395 516 H HN 0.472 nan 8.280 nan 0.000 0.530 517 A N 1.251 124.229 122.820 0.264 0.000 1.897 517 A HA 0.020 4.339 4.320 -0.000 0.000 0.215 517 A C 2.719 180.512 177.584 0.349 0.000 1.181 517 A CA 1.386 53.611 52.037 0.313 0.000 0.620 517 A CB -0.772 18.506 19.000 0.464 0.000 0.821 517 A HN 0.393 nan 8.150 nan 0.000 0.443 518 A N 0.133 123.173 122.820 0.366 0.000 1.892 518 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 518 A C 2.499 180.216 177.584 0.223 0.000 1.188 518 A CA 2.521 54.759 52.037 0.336 0.000 0.631 518 A CB -1.075 18.144 19.000 0.364 0.000 0.822 518 A HN 1.112 nan 8.150 nan 0.000 0.447 519 A N -0.907 121.995 122.820 0.137 0.000 1.930 519 A HA 0.052 4.371 4.320 -0.000 0.000 0.217 519 A C 2.106 179.709 177.584 0.032 0.000 1.175 519 A CA 1.587 53.673 52.037 0.081 0.000 0.627 519 A CB -0.559 18.474 19.000 0.056 0.000 0.815 519 A HN 0.759 nan 8.150 nan 0.000 0.443 520 L N -1.497 119.711 121.223 -0.026 0.000 2.079 520 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 520 L C 1.525 178.177 176.870 -0.363 0.000 1.081 520 L CA 1.811 56.502 54.840 -0.248 0.000 0.752 520 L CB -0.587 41.223 42.059 -0.415 0.000 0.896 520 L HN 0.484 nan 8.230 nan 0.000 0.433 521 Y N -0.405 119.944 120.300 0.083 0.000 2.571 521 Y HA 0.429 4.978 4.550 -0.000 0.000 0.275 521 Y C 1.584 177.530 175.900 0.077 0.000 1.179 521 Y CA 0.021 58.164 58.100 0.071 0.000 1.242 521 Y CB -0.036 38.468 38.460 0.073 0.000 1.126 521 Y HN 0.240 nan 8.280 nan 0.000 0.524 522 G N 0.500 109.392 108.800 0.153 0.000 2.198 522 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 522 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 522 G C 0.543 175.532 174.900 0.148 0.000 1.025 522 G CA 0.066 45.241 45.100 0.124 0.000 0.769 522 G HN 0.697 nan 8.290 nan 0.000 0.507 523 G N -0.901 108.014 108.800 0.191 0.000 2.488 523 G HA2 0.832 4.792 3.960 -0.000 0.000 0.318 523 G HA3 0.832 4.792 3.960 -0.000 0.000 0.318 523 G C 0.357 175.387 174.900 0.216 0.000 1.188 523 G CA 0.526 45.752 45.100 0.210 0.000 0.944 523 G HN 1.177 nan 8.290 nan 0.000 0.495 524 T N -2.668 112.037 114.554 0.251 0.000 2.936 524 T HA 0.611 4.960 4.350 -0.000 0.000 0.282 524 T C -1.121 173.836 174.700 0.428 0.000 1.003 524 T CA -0.668 61.602 62.100 0.283 0.000 1.005 524 T CB 1.784 70.754 68.868 0.171 0.000 1.097 524 T HN 0.585 nan 8.240 nan 0.000 0.532 525 Y N 0.057 120.496 120.300 0.232 0.000 2.401 525 Y HA 0.522 5.072 4.550 -0.000 0.000 0.330 525 Y C -1.133 174.859 175.900 0.153 0.000 1.071 525 Y CA -0.531 57.663 58.100 0.157 0.000 1.049 525 Y CB 1.893 40.413 38.460 0.100 0.000 1.239 525 Y HN 0.956 nan 8.280 nan 0.000 0.437 526 S N 3.951 119.428 115.700 -0.372 0.000 2.566 526 S HA 0.497 4.967 4.470 -0.000 0.000 0.298 526 S C -1.333 172.910 174.600 -0.594 0.000 1.083 526 S CA -0.763 57.286 58.200 -0.251 0.000 0.978 526 S CB 1.740 64.913 63.200 -0.045 0.000 1.073 526 S HN 0.767 nan 8.310 nan 0.000 0.491 527 C N 4.264 123.434 119.300 -0.217 0.000 3.414 527 C HA 0.418 4.878 4.460 -0.000 0.000 0.208 527 C C -2.499 172.463 174.990 -0.047 0.000 1.422 527 C CA -2.047 56.891 59.018 -0.134 0.000 1.437 527 C CB -1.341 26.446 27.740 0.078 0.000 1.850 527 C HN 0.715 nan 8.230 nan 0.000 0.481 528 P HA 0.151 nan 4.420 nan 0.000 0.265 528 P C 0.243 177.482 177.300 -0.103 0.000 1.187 528 P CA 0.586 63.675 63.100 -0.019 0.000 0.766 528 P CB 1.033 32.783 31.700 0.084 0.000 0.820 529 A N 1.686 124.438 122.820 -0.113 0.000 2.431 529 A HA 0.335 4.654 4.320 -0.000 0.000 0.239 529 A C 0.742 178.172 177.584 -0.258 0.000 1.230 529 A CA 0.507 52.445 52.037 -0.165 0.000 0.928 529 A CB -0.080 18.864 19.000 -0.094 0.000 1.006 529 A HN 0.686 nan 8.150 nan 0.000 0.520 530 S N -3.394 112.151 115.700 -0.258 0.000 2.607 530 S HA 0.433 4.903 4.470 -0.000 0.000 0.273 530 S C -0.056 174.413 174.600 -0.217 0.000 1.148 530 S CA -0.620 57.389 58.200 -0.318 0.000 0.833 530 S CB 0.021 63.145 63.200 -0.126 0.000 1.130 530 S HN 0.323 nan 8.310 nan 0.000 0.470 531 W N 0.695 122.019 121.300 0.040 0.000 2.519 531 W HA 0.039 4.699 4.660 -0.001 0.000 0.266 531 W C 1.397 177.998 176.519 0.137 0.000 1.253 531 W CA 0.399 57.796 57.345 0.087 0.000 1.274 531 W CB -0.060 29.421 29.460 0.035 0.000 1.114 531 W HN 0.698 nan 8.180 nan 0.000 0.596 532 D N 0.595 121.151 120.400 0.260 0.000 2.097 532 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 532 D C 1.932 178.318 176.300 0.144 0.000 0.984 532 D CA 1.766 55.868 54.000 0.172 0.000 0.826 532 D CB -0.541 40.320 40.800 0.102 0.000 0.973 532 D HN 0.471 nan 8.370 nan 0.000 0.460 533 E N -0.046 120.225 120.200 0.119 0.000 2.285 533 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 533 E C 1.995 178.683 176.600 0.146 0.000 0.997 533 E CA 0.173 56.630 56.400 0.096 0.000 0.845 533 E CB -0.483 29.248 29.700 0.052 0.000 0.782 533 E HN 0.209 nan 8.360 nan 0.000 0.491 534 F N 2.839 122.839 119.950 0.085 0.000 2.051 534 F HA -0.082 4.445 4.527 -0.001 0.000 0.296 534 F C 1.977 177.873 175.800 0.161 0.000 1.122 534 F CA 1.697 59.775 58.000 0.130 0.000 1.201 534 F CB -0.116 39.044 39.000 0.266 0.000 0.978 534 F HN -0.229 nan 8.300 nan 0.000 0.472 535 K N -0.377 120.084 120.400 0.102 0.000 2.127 535 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 535 K C 1.971 178.548 176.600 -0.039 0.000 1.047 535 K CA 2.110 58.394 56.287 -0.005 0.000 0.927 535 K CB -0.639 31.930 32.500 0.115 0.000 0.716 535 K HN 0.323 nan 8.250 nan 0.000 0.450 536 T N 0.715 115.270 114.554 0.001 0.000 2.674 536 T HA -0.160 4.189 4.350 -0.000 0.000 0.265 536 T C 1.980 176.666 174.700 -0.024 0.000 1.039 536 T CA 1.558 63.654 62.100 -0.005 0.000 1.150 536 T CB -0.249 68.630 68.868 0.019 0.000 0.864 536 T HN 0.370 nan 8.240 nan 0.000 0.427 537 A N 0.164 122.975 122.820 -0.014 0.000 2.014 537 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 537 A C 1.012 178.648 177.584 0.087 0.000 1.163 537 A CA 0.393 52.466 52.037 0.061 0.000 0.652 537 A CB -0.606 18.466 19.000 0.120 0.000 0.808 537 A HN 0.545 nan 8.150 nan 0.000 0.449 538 Y N 1.082 121.211 120.300 -0.285 0.000 2.613 538 Y HA 0.424 4.973 4.550 -0.001 0.000 0.354 538 Y C 0.223 176.022 175.900 -0.169 0.000 1.063 538 Y CA -1.019 56.883 58.100 -0.330 0.000 1.384 538 Y CB -0.306 37.671 38.460 -0.805 0.000 1.199 538 Y HN 0.207 nan 8.280 nan 0.000 0.517 539 A N 8.097 130.697 122.820 -0.366 0.000 3.127 539 A HA 0.490 4.810 4.320 -0.000 0.000 0.319 539 A C -2.782 174.622 177.584 -0.301 0.000 1.104 539 A CA -1.333 50.487 52.037 -0.362 0.000 0.802 539 A CB -0.189 18.694 19.000 -0.195 0.000 1.193 539 A HN 0.548 nan 8.150 nan 0.000 0.479 540 P HA 0.469 nan 4.420 nan 0.000 0.271 540 P C -0.562 176.661 177.300 -0.128 0.000 1.218 540 P CA 0.242 63.211 63.100 -0.219 0.000 0.780 540 P CB 0.755 32.309 31.700 -0.244 0.000 0.901 541 Q N 0.338 120.105 119.800 -0.055 0.000 2.503 541 Q HA 0.667 5.007 4.340 -0.000 0.000 0.268 541 Q C -1.423 174.578 176.000 0.001 0.000 0.982 541 Q CA -0.884 54.900 55.803 -0.032 0.000 0.907 541 Q CB 0.809 29.522 28.738 -0.042 0.000 1.467 541 Q HN 0.250 nan 8.270 nan 0.000 0.394 542 A N 1.187 124.013 122.820 0.010 0.000 2.564 542 A HA 0.237 4.557 4.320 -0.000 0.000 0.279 542 A C 0.327 177.924 177.584 0.022 0.000 1.232 542 A CA -0.003 52.048 52.037 0.024 0.000 0.950 542 A CB 0.008 19.028 19.000 0.033 0.000 1.138 542 A HN 0.759 nan 8.150 nan 0.000 0.526 543 D N 1.231 121.639 120.400 0.013 0.000 2.194 543 D HA -0.013 4.626 4.640 -0.000 0.000 0.204 543 D C 0.711 177.021 176.300 0.016 0.000 0.964 543 D CA 1.198 55.206 54.000 0.013 0.000 0.846 543 D CB 0.348 41.151 40.800 0.004 0.000 0.962 543 D HN 0.767 nan 8.370 nan 0.000 0.490 544 K N -0.320 120.090 120.400 0.017 0.000 2.571 544 K HA 0.469 4.789 4.320 -0.000 0.000 0.289 544 K C -3.186 173.431 176.600 0.027 0.000 1.028 544 K CA -1.540 54.760 56.287 0.021 0.000 0.895 544 K CB 1.240 33.749 32.500 0.016 0.000 1.534 544 K HN -0.389 nan 8.250 nan 0.000 0.421 545 P HA 0.125 nan 4.420 nan 0.000 0.269 545 P C -0.492 176.831 177.300 0.039 0.000 1.205 545 P CA 0.555 63.679 63.100 0.040 0.000 0.780 545 P CB 0.275 32.000 31.700 0.041 0.000 0.858 546 G N 1.334 110.166 108.800 0.054 0.000 2.046 546 G HA2 0.099 4.059 3.960 -0.000 0.000 0.180 546 G HA3 0.099 4.059 3.960 -0.000 0.000 0.180 546 G C -1.492 173.463 174.900 0.092 0.000 1.990 546 G CA -0.725 44.411 45.100 0.061 0.000 0.997 546 G HN 0.553 nan 8.290 nan 0.000 0.592 547 L N 3.983 125.277 121.223 0.119 0.000 2.281 547 L HA 0.538 4.877 4.340 -0.000 0.000 0.285 547 L C -0.274 176.729 176.870 0.221 0.000 1.074 547 L CA -0.645 54.288 54.840 0.154 0.000 0.817 547 L CB 0.923 43.080 42.059 0.162 0.000 1.168 547 L HN 0.699 nan 8.230 nan 0.000 0.434 548 H N 5.825 124.943 119.070 0.080 0.000 2.708 548 H HA 0.255 4.810 4.556 -0.001 0.000 0.320 548 H C -1.304 174.064 175.328 0.067 0.000 0.991 548 H CA -1.005 55.086 56.048 0.071 0.000 1.243 548 H CB 1.925 31.710 29.762 0.037 0.000 1.446 548 H HN 0.490 nan 8.280 nan 0.000 0.502 549 L N 7.461 128.652 121.223 -0.052 0.000 2.257 549 L HA 0.361 4.701 4.340 -0.000 0.000 0.290 549 L C -1.044 175.560 176.870 -0.444 0.000 1.044 549 L CA -0.227 54.518 54.840 -0.159 0.000 0.810 549 L CB 0.372 42.492 42.059 0.102 0.000 1.193 549 L HN 0.568 nan 8.230 nan 0.000 0.425 550 I N 5.138 125.442 120.570 -0.443 0.000 2.371 550 I HA 0.304 4.474 4.170 -0.000 0.000 0.282 550 I C -0.076 175.862 176.117 -0.298 0.000 1.031 550 I CA -0.409 60.654 61.300 -0.394 0.000 1.180 550 I CB 1.178 39.060 38.000 -0.196 0.000 1.336 550 I HN 0.624 nan 8.210 nan 0.000 0.467 551 E N 7.277 127.251 120.200 -0.376 0.000 2.200 551 E HA 0.375 4.724 4.350 -0.000 0.000 0.283 551 E C -0.933 175.581 176.600 -0.144 0.000 1.015 551 E CA -0.586 55.683 56.400 -0.217 0.000 0.819 551 E CB 1.058 30.709 29.700 -0.083 0.000 1.081 551 E HN 0.433 nan 8.360 nan 0.000 0.397 552 I N 5.020 125.514 120.570 -0.126 0.000 2.355 552 I HA 0.234 4.404 4.170 -0.000 0.000 0.288 552 I C -0.033 176.038 176.117 -0.076 0.000 0.999 552 I CA -0.647 60.578 61.300 -0.125 0.000 1.163 552 I CB 1.290 39.194 38.000 -0.161 0.000 1.316 552 I HN 0.487 nan 8.210 nan 0.000 0.454 553 K N 4.650 125.017 120.400 -0.056 0.000 2.205 553 K HA 0.485 4.804 4.320 -0.000 0.000 0.279 553 K C 0.245 176.833 176.600 -0.019 0.000 1.027 553 K CA -0.234 56.047 56.287 -0.011 0.000 0.932 553 K CB 1.452 33.960 32.500 0.013 0.000 1.032 553 K HN 0.753 nan 8.250 nan 0.000 0.466 554 T N -1.457 113.104 114.554 0.013 0.000 2.864 554 T HA 0.258 4.608 4.350 -0.000 0.000 0.299 554 T C -1.333 173.401 174.700 0.056 0.000 1.166 554 T CA -1.013 61.103 62.100 0.027 0.000 1.007 554 T CB 1.831 70.707 68.868 0.014 0.000 1.219 554 T HN 0.373 nan 8.240 nan 0.000 0.506 555 D N -0.161 120.286 120.400 0.078 0.000 2.441 555 D HA 0.329 4.969 4.640 -0.000 0.000 0.231 555 D C 1.337 177.695 176.300 0.097 0.000 1.073 555 D CA -0.982 53.069 54.000 0.085 0.000 0.850 555 D CB 1.255 42.105 40.800 0.082 0.000 1.062 555 D HN 0.688 nan 8.370 nan 0.000 0.524 556 R N 2.578 123.133 120.500 0.092 0.000 2.200 556 R HA 0.004 4.344 4.340 -0.000 0.000 0.208 556 R C 0.900 177.240 176.300 0.066 0.000 1.033 556 R CA 0.339 56.493 56.100 0.090 0.000 1.000 556 R CB -0.020 30.349 30.300 0.116 0.000 0.906 556 R HN 0.274 nan 8.270 nan 0.000 0.462 557 Q N 1.405 121.246 119.800 0.068 0.000 2.224 557 Q HA -0.060 4.279 4.340 -0.000 0.000 0.203 557 Q C 1.739 177.746 176.000 0.011 0.000 0.970 557 Q CA 2.009 57.835 55.803 0.038 0.000 0.865 557 Q CB 0.136 28.901 28.738 0.045 0.000 0.922 557 Q HN 0.571 nan 8.270 nan 0.000 0.445 558 S N -1.023 114.699 115.700 0.038 0.000 2.540 558 S HA 0.170 4.640 4.470 -0.000 0.000 0.222 558 S C 1.620 176.265 174.600 0.075 0.000 1.008 558 S CA -0.499 57.723 58.200 0.036 0.000 0.939 558 S CB 0.469 63.694 63.200 0.041 0.000 0.865 558 S HN 0.095 nan 8.310 nan 0.000 0.499 559 R N 1.898 122.467 120.500 0.115 0.000 2.091 559 R HA -0.042 4.297 4.340 -0.000 0.000 0.238 559 R C 1.711 178.120 176.300 0.181 0.000 1.136 559 R CA 1.778 58.029 56.100 0.251 0.000 0.959 559 R CB -0.971 29.441 30.300 0.186 0.000 0.856 559 R HN 0.407 nan 8.270 nan 0.000 0.437 560 V N 1.094 120.950 119.914 -0.097 0.000 2.343 560 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 560 V C 2.498 178.580 176.094 -0.019 0.000 1.051 560 V CA 2.101 64.235 62.300 -0.278 0.000 1.036 560 V CB -0.543 30.960 31.823 -0.533 0.000 0.654 560 V HN 0.328 nan 8.190 nan 0.000 0.451 561 Q N -0.154 119.637 119.800 -0.016 0.000 2.083 561 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 561 Q C 2.055 178.066 176.000 0.018 0.000 0.969 561 Q CA 1.692 57.497 55.803 0.003 0.000 0.838 561 Q CB -0.394 28.330 28.738 -0.023 0.000 0.900 561 Q HN 0.610 nan 8.270 nan 0.000 0.436 562 L N -0.696 120.520 121.223 -0.012 0.000 1.989 562 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 562 L C 2.418 179.236 176.870 -0.086 0.000 1.071 562 L CA 1.845 56.583 54.840 -0.170 0.000 0.749 562 L CB -0.707 41.097 42.059 -0.426 0.000 0.890 562 L HN 0.413 nan 8.230 nan 0.000 0.431 563 H N 0.271 119.432 119.070 0.151 0.000 2.265 563 H HA -0.189 4.367 4.556 -0.000 0.000 0.295 563 H C 2.496 177.983 175.328 0.265 0.000 1.084 563 H CA 2.082 58.389 56.048 0.431 0.000 1.261 563 H CB 0.078 30.197 29.762 0.595 0.000 1.360 563 H HN 0.071 nan 8.280 nan 0.000 0.487 564 R N -0.072 120.604 120.500 0.294 0.000 2.081 564 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 564 R C 1.923 178.268 176.300 0.075 0.000 1.131 564 R CA 1.522 57.731 56.100 0.182 0.000 0.960 564 R CB -0.042 30.359 30.300 0.169 0.000 0.856 564 R HN 0.507 nan 8.270 nan 0.000 0.436 565 D N 0.467 120.891 120.400 0.040 0.000 2.097 565 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 565 D C 1.800 178.097 176.300 -0.005 0.000 0.984 565 D CA 1.031 55.034 54.000 0.005 0.000 0.826 565 D CB -0.233 40.556 40.800 -0.018 0.000 0.973 565 D HN 0.126 nan 8.370 nan 0.000 0.460 566 M N 0.455 120.042 119.600 -0.022 0.000 2.113 566 M HA -0.240 4.240 4.480 -0.000 0.000 0.255 566 M C 1.971 178.275 176.300 0.007 0.000 1.073 566 M CA 1.630 56.924 55.300 -0.010 0.000 1.091 566 M CB -0.065 32.535 32.600 0.000 0.000 1.309 566 M HN -0.018 nan 8.290 nan 0.000 0.407 567 L N -0.433 120.801 121.223 0.018 0.000 2.072 567 L HA -0.185 4.154 4.340 -0.000 0.000 0.205 567 L C 2.166 179.097 176.870 0.102 0.000 1.079 567 L CA 0.922 55.814 54.840 0.086 0.000 0.752 567 L CB -1.177 40.925 42.059 0.072 0.000 0.906 567 L HN 0.378 nan 8.230 nan 0.000 0.436 568 N N 0.442 119.175 118.700 0.055 0.000 2.069 568 N HA -0.248 4.491 4.740 -0.000 0.000 0.191 568 N C 1.727 177.231 175.510 -0.010 0.000 1.031 568 N CA 1.458 54.530 53.050 0.037 0.000 0.852 568 N CB -0.284 38.218 38.487 0.023 0.000 1.018 568 N HN 0.391 nan 8.380 nan 0.000 0.423 569 E N 0.604 120.778 120.200 -0.043 0.000 2.085 569 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 569 E C 1.694 178.111 176.600 -0.305 0.000 0.994 569 E CA 1.289 57.616 56.400 -0.122 0.000 0.801 569 E CB -0.072 29.597 29.700 -0.051 0.000 0.743 569 E HN 0.333 nan 8.360 nan 0.000 0.453 570 A N 0.531 123.197 122.820 -0.258 0.000 1.969 570 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 570 A C 2.356 179.850 177.584 -0.149 0.000 1.169 570 A CA 1.215 53.016 52.037 -0.394 0.000 0.635 570 A CB -0.375 18.240 19.000 -0.643 0.000 0.810 570 A HN 0.234 nan 8.150 nan 0.000 0.445 571 V N -0.151 119.799 119.914 0.061 0.000 2.548 571 V HA -0.194 3.925 4.120 -0.000 0.000 0.249 571 V C 2.568 178.668 176.094 0.009 0.000 1.055 571 V CA 1.907 64.287 62.300 0.135 0.000 1.065 571 V CB -0.750 31.163 31.823 0.151 0.000 0.681 571 V HN 0.505 nan 8.190 nan 0.000 0.462 572 R N -0.171 120.296 120.500 -0.056 0.000 2.092 572 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 572 R C 2.344 178.588 176.300 -0.095 0.000 1.119 572 R CA 1.380 57.441 56.100 -0.064 0.000 0.970 572 R CB -0.212 30.043 30.300 -0.075 0.000 0.864 572 R HN 0.429 nan 8.270 nan 0.000 0.440 573 E N 0.525 120.595 120.200 -0.217 0.000 2.085 573 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 573 E C 1.794 178.340 176.600 -0.091 0.000 0.994 573 E CA 1.168 57.439 56.400 -0.215 0.000 0.801 573 E CB -0.001 29.433 29.700 -0.443 0.000 0.743 573 E HN 0.051 nan 8.360 nan 0.000 0.453 574 V N 0.391 120.262 119.914 -0.072 0.000 2.427 574 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 574 V C 2.011 178.187 176.094 0.137 0.000 1.051 574 V CA 1.948 64.222 62.300 -0.043 0.000 1.048 574 V CB -0.392 31.390 31.823 -0.070 0.000 0.666 574 V HN 0.190 nan 8.190 nan 0.000 0.456 575 K N 0.032 120.517 120.400 0.142 0.000 2.283 575 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 575 K C 2.118 178.873 176.600 0.258 0.000 1.048 575 K CA 0.789 57.227 56.287 0.252 0.000 0.948 575 K CB -0.139 32.426 32.500 0.108 0.000 0.742 575 K HN 0.412 nan 8.250 nan 0.000 0.458 576 K N 0.763 121.239 120.400 0.126 0.000 2.097 576 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 576 K C 1.646 178.279 176.600 0.055 0.000 1.049 576 K CA 1.073 57.406 56.287 0.077 0.000 0.933 576 K CB 0.068 32.583 32.500 0.026 0.000 0.717 576 K HN 0.159 nan 8.250 nan 0.000 0.442 577 Q N -0.637 119.165 119.800 0.002 0.000 2.561 577 Q HA -0.157 4.183 4.340 -0.000 0.000 0.217 577 Q C 0.781 176.512 176.000 -0.448 0.000 0.980 577 Q CA 0.805 56.470 55.803 -0.231 0.000 0.927 577 Q CB 0.044 28.628 28.738 -0.257 0.000 0.980 577 Q HN 0.545 nan 8.270 nan 0.000 0.525 578 W N 0.644 121.963 121.300 0.031 0.000 2.714 578 W HA 0.220 4.879 4.660 -0.001 0.000 0.353 578 W C 0.273 176.793 176.519 0.002 0.000 0.999 578 W CA -0.498 56.853 57.345 0.009 0.000 1.629 578 W CB 0.933 30.396 29.460 0.006 0.000 1.106 578 W HN 0.003 nan 8.180 nan 0.000 0.545 579 E N 1.411 121.711 120.200 0.167 0.000 2.392 579 E HA 0.199 4.549 4.350 -0.000 0.000 0.256 579 E C 0.425 177.061 176.600 0.059 0.000 1.145 579 E CA 0.019 56.477 56.400 0.098 0.000 0.929 579 E CB 1.526 31.265 29.700 0.065 0.000 0.998 579 E HN -0.031 nan 8.360 nan 0.000 0.442 580 L N 0.000 121.250 121.223 0.045 0.000 2.949 580 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 580 L CA 0.000 54.856 54.840 0.027 0.000 0.813 580 L CB 0.000 42.074 42.059 0.026 0.000 0.961 580 L HN 0.000 nan 8.230 nan 0.000 0.502