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 1a2v_1_E DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPYGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD CKGVIHYLDA HFSDRAGDPI TVKNAVCIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.301 177.300 0.002 0.000 1.155 18 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 18 P CB 0.000 31.697 31.700 -0.005 0.000 0.726 19 A N 0.315 123.136 122.820 0.003 0.000 2.292 19 A HA 0.679 4.998 4.320 -0.001 0.000 0.319 19 A C 0.170 177.763 177.584 0.014 0.000 1.206 19 A CA -0.547 51.495 52.037 0.008 0.000 0.835 19 A CB 0.301 19.306 19.000 0.009 0.000 1.164 19 A HN 0.429 nan 8.150 nan 0.000 0.505 20 R N 2.117 122.625 120.500 0.014 0.000 2.698 20 R HA 0.262 4.602 4.340 -0.001 0.000 0.266 20 R C -1.978 174.339 176.300 0.030 0.000 1.026 20 R CA -0.570 55.539 56.100 0.015 0.000 1.102 20 R CB -0.075 30.229 30.300 0.006 0.000 0.978 20 R HN 0.605 nan 8.270 nan 0.000 0.436 21 P HA 0.121 nan 4.420 nan 0.000 0.278 21 P C -0.295 177.057 177.300 0.087 0.000 1.266 21 P CA -0.387 62.755 63.100 0.071 0.000 0.807 21 P CB 0.978 32.733 31.700 0.091 0.000 1.094 22 A N 0.226 123.120 122.820 0.124 0.000 1.877 22 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 22 A C 1.075 178.778 177.584 0.199 0.000 1.186 22 A CA 1.463 53.590 52.037 0.150 0.000 0.620 22 A CB -1.377 17.720 19.000 0.162 0.000 0.822 22 A HN 0.789 nan 8.150 nan 0.000 0.443 23 H N -1.823 117.327 119.070 0.133 0.000 2.495 23 H HA 0.414 4.969 4.556 -0.001 0.000 0.348 23 H C -2.177 173.149 175.328 -0.004 0.000 1.113 23 H CA -2.144 53.987 56.048 0.139 0.000 1.195 23 H CB 1.988 31.916 29.762 0.276 0.000 1.521 23 H HN -0.060 nan 8.280 nan 0.000 0.509 24 P HA -0.162 nan 4.420 nan 0.000 0.220 24 P C 0.717 178.058 177.300 0.068 0.000 1.144 24 P CA 1.229 64.263 63.100 -0.111 0.000 0.800 24 P CB 0.263 31.697 31.700 -0.444 0.000 0.772 25 L N -1.978 119.372 121.223 0.211 0.000 2.592 25 L HA 0.127 4.467 4.340 -0.001 0.000 0.227 25 L C 0.326 177.102 176.870 -0.157 0.000 1.127 25 L CA -0.147 54.550 54.840 -0.238 0.000 0.884 25 L CB -0.493 41.075 42.059 -0.819 0.000 1.065 25 L HN -0.123 nan 8.230 nan 0.000 0.457 26 D N 1.788 122.256 120.400 0.114 0.000 2.455 26 D HA 0.113 4.753 4.640 -0.001 0.000 0.241 26 D C -2.027 174.377 176.300 0.172 0.000 1.138 26 D CA -1.007 53.148 54.000 0.258 0.000 0.877 26 D CB 0.665 41.611 40.800 0.244 0.000 1.187 26 D HN -0.056 nan 8.370 nan 0.000 0.451 27 P HA 0.054 nan 4.420 nan 0.000 0.271 27 P C 0.067 177.466 177.300 0.165 0.000 1.233 27 P CA -0.336 62.875 63.100 0.184 0.000 0.789 27 P CB 0.558 32.388 31.700 0.217 0.000 0.951 28 L N 0.579 121.899 121.223 0.162 0.000 2.485 28 L HA 0.082 4.421 4.340 -0.001 0.000 0.275 28 L C 1.306 178.247 176.870 0.119 0.000 1.207 28 L CA 0.025 54.940 54.840 0.126 0.000 0.855 28 L CB -0.062 42.070 42.059 0.122 0.000 1.114 28 L HN 0.503 nan 8.230 nan 0.000 0.485 29 S N -0.061 115.673 115.700 0.057 0.000 2.624 29 S HA 0.100 4.570 4.470 -0.001 0.000 0.263 29 S C 1.278 175.821 174.600 -0.095 0.000 1.287 29 S CA -0.169 58.017 58.200 -0.024 0.000 0.990 29 S CB 1.221 64.401 63.200 -0.033 0.000 0.950 29 S HN 0.767 nan 8.310 nan 0.000 0.561 30 T N -1.533 112.866 114.554 -0.259 0.000 2.881 30 T HA -0.061 4.288 4.350 -0.001 0.000 0.270 30 T C 1.862 176.496 174.700 -0.110 0.000 1.068 30 T CA 1.017 62.990 62.100 -0.212 0.000 1.131 30 T CB -0.918 67.778 68.868 -0.285 0.000 0.871 30 T HN 0.850 nan 8.240 nan 0.000 0.479 31 A N 1.937 124.701 122.820 -0.093 0.000 1.897 31 A HA -0.005 4.314 4.320 -0.001 0.000 0.215 31 A C 2.311 179.871 177.584 -0.039 0.000 1.181 31 A CA 1.308 53.310 52.037 -0.058 0.000 0.620 31 A CB -0.534 18.439 19.000 -0.045 0.000 0.821 31 A HN 0.610 nan 8.150 nan 0.000 0.443 32 E N -0.271 119.914 120.200 -0.024 0.000 2.152 32 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 32 E C 1.825 178.419 176.600 -0.010 0.000 0.983 32 E CA 0.876 57.273 56.400 -0.005 0.000 0.818 32 E CB -0.236 29.476 29.700 0.020 0.000 0.758 32 E HN 0.675 nan 8.360 nan 0.000 0.467 33 I N 1.100 121.662 120.570 -0.014 0.000 2.142 33 I HA -0.294 3.875 4.170 -0.001 0.000 0.240 33 I C 2.477 178.541 176.117 -0.087 0.000 1.078 33 I CA 1.112 62.396 61.300 -0.026 0.000 1.343 33 I CB -0.141 37.856 38.000 -0.005 0.000 1.046 33 I HN -0.010 nan 8.210 nan 0.000 0.405 34 K N 1.452 121.802 120.400 -0.084 0.000 2.026 34 K HA -0.113 4.206 4.320 -0.001 0.000 0.208 34 K C 2.050 178.594 176.600 -0.093 0.000 1.048 34 K CA 1.709 57.934 56.287 -0.103 0.000 0.929 34 K CB -0.434 32.021 32.500 -0.075 0.000 0.713 34 K HN 0.280 nan 8.250 nan 0.000 0.439 35 A N 0.372 123.156 122.820 -0.061 0.000 1.978 35 A HA -0.087 4.232 4.320 -0.001 0.000 0.220 35 A C 2.313 179.865 177.584 -0.052 0.000 1.170 35 A CA 2.051 54.061 52.037 -0.045 0.000 0.636 35 A CB -0.943 18.041 19.000 -0.025 0.000 0.810 35 A HN 0.435 nan 8.150 nan 0.000 0.448 36 A N -0.232 122.550 122.820 -0.062 0.000 1.854 36 A HA -0.061 4.258 4.320 -0.001 0.000 0.214 36 A C 2.471 179.977 177.584 -0.130 0.000 1.192 36 A CA 2.450 54.449 52.037 -0.064 0.000 0.611 36 A CB -1.444 17.540 19.000 -0.027 0.000 0.832 36 A HN 0.736 nan 8.150 nan 0.000 0.442 37 T N -1.355 113.044 114.554 -0.259 0.000 2.746 37 T HA -0.185 4.165 4.350 -0.001 0.000 0.267 37 T C 1.682 176.292 174.700 -0.149 0.000 1.039 37 T CA 1.552 63.359 62.100 -0.488 0.000 1.142 37 T CB -0.633 67.680 68.868 -0.925 0.000 0.866 37 T HN 0.359 nan 8.240 nan 0.000 0.444 38 N N 1.392 120.028 118.700 -0.106 0.000 2.069 38 N HA -0.070 4.670 4.740 -0.001 0.000 0.191 38 N C 2.119 177.632 175.510 0.004 0.000 1.031 38 N CA 1.888 54.923 53.050 -0.026 0.000 0.852 38 N CB -1.134 37.334 38.487 -0.031 0.000 1.018 38 N HN 0.509 nan 8.380 nan 0.000 0.423 39 T N 0.707 115.248 114.554 -0.022 0.000 2.746 39 T HA -0.055 4.295 4.350 -0.001 0.000 0.267 39 T C 2.115 176.802 174.700 -0.020 0.000 1.039 39 T CA 0.882 62.970 62.100 -0.020 0.000 1.142 39 T CB -0.299 68.546 68.868 -0.040 0.000 0.866 39 T HN -0.016 nan 8.240 nan 0.000 0.444 40 V N 1.459 121.357 119.914 -0.027 0.000 2.270 40 V HA -0.145 3.975 4.120 -0.001 0.000 0.245 40 V C 2.518 178.729 176.094 0.195 0.000 1.043 40 V CA 1.457 63.750 62.300 -0.012 0.000 1.014 40 V CB -0.448 31.381 31.823 0.010 0.000 0.645 40 V HN 0.444 nan 8.190 nan 0.000 0.447 41 K N 0.203 120.764 120.400 0.269 0.000 2.074 41 K HA -0.195 4.124 4.320 -0.001 0.000 0.209 41 K C 2.394 179.085 176.600 0.153 0.000 1.048 41 K CA 1.925 58.358 56.287 0.245 0.000 0.926 41 K CB -0.406 32.221 32.500 0.211 0.000 0.713 41 K HN 0.416 nan 8.250 nan 0.000 0.444 42 S N 0.501 116.257 115.700 0.094 0.000 2.356 42 S HA -0.172 4.297 4.470 -0.001 0.000 0.223 42 S C 1.762 176.372 174.600 0.017 0.000 1.032 42 S CA 1.087 59.316 58.200 0.048 0.000 1.005 42 S CB -0.434 62.785 63.200 0.031 0.000 0.867 42 S HN 0.335 nan 8.310 nan 0.000 0.449 43 Y N 1.226 121.422 120.300 -0.173 0.000 2.165 43 Y HA -0.115 4.435 4.550 -0.001 0.000 0.286 43 Y C 0.708 176.345 175.900 -0.438 0.000 1.155 43 Y CA 1.354 59.234 58.100 -0.366 0.000 1.164 43 Y CB -0.173 37.936 38.460 -0.586 0.000 0.978 43 Y HN 0.183 nan 8.280 nan 0.000 0.513 44 F N 0.907 120.934 119.950 0.128 0.000 2.986 44 F HA 0.437 4.963 4.527 -0.001 0.000 0.297 44 F C 0.777 176.574 175.800 -0.004 0.000 1.210 44 F CA -0.586 57.435 58.000 0.034 0.000 1.346 44 F CB -0.929 38.110 39.000 0.064 0.000 1.007 44 F HN 0.006 nan 8.300 nan 0.000 0.512 45 A N 0.098 122.958 122.820 0.067 0.000 2.520 45 A HA 0.427 4.746 4.320 -0.001 0.000 0.245 45 A C 1.546 179.156 177.584 0.043 0.000 1.072 45 A CA 0.813 52.878 52.037 0.046 0.000 0.761 45 A CB -0.452 18.548 19.000 -0.000 0.000 1.004 45 A HN 1.130 nan 8.150 nan 0.000 0.499 46 G N 1.632 110.459 108.800 0.043 0.000 2.199 46 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.254 46 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.254 46 G C 0.223 175.144 174.900 0.035 0.000 0.982 46 G CA 0.561 45.679 45.100 0.030 0.000 0.632 46 G HN 0.776 nan 8.290 nan 0.000 0.529 47 K N 0.368 120.803 120.400 0.058 0.000 2.159 47 K HA 0.421 4.740 4.320 -0.001 0.000 0.266 47 K C -0.129 176.477 176.600 0.010 0.000 0.975 47 K CA -0.825 55.484 56.287 0.037 0.000 0.865 47 K CB 2.018 34.557 32.500 0.064 0.000 1.087 47 K HN 0.165 nan 8.250 nan 0.000 0.446 48 K N 4.438 124.826 120.400 -0.019 0.000 2.150 48 K HA 0.146 4.466 4.320 -0.001 0.000 0.261 48 K C 0.187 176.741 176.600 -0.077 0.000 1.127 48 K CA -0.218 56.051 56.287 -0.030 0.000 0.989 48 K CB -0.370 32.115 32.500 -0.025 0.000 1.475 48 K HN 0.567 nan 8.250 nan 0.000 0.391 49 I N -0.354 120.154 120.570 -0.103 0.000 2.676 49 I HA 0.528 4.697 4.170 -0.001 0.000 0.309 49 I C -0.438 175.544 176.117 -0.224 0.000 0.990 49 I CA -0.662 60.505 61.300 -0.221 0.000 1.168 49 I CB 1.981 39.776 38.000 -0.342 0.000 1.343 49 I HN 0.379 nan 8.210 nan 0.000 0.482 50 S N 3.988 119.510 115.700 -0.297 0.000 2.536 50 S HA 0.630 5.100 4.470 -0.001 0.000 0.287 50 S C -1.089 173.317 174.600 -0.324 0.000 1.101 50 S CA -0.624 57.458 58.200 -0.197 0.000 0.950 50 S CB 1.216 64.367 63.200 -0.081 0.000 1.056 50 S HN 0.498 nan 8.310 nan 0.000 0.481 51 F N 3.800 123.747 119.950 -0.004 0.000 2.411 51 F HA 0.443 4.969 4.527 -0.001 0.000 0.350 51 F C 1.735 177.537 175.800 0.004 0.000 1.114 51 F CA -0.525 57.479 58.000 0.006 0.000 1.135 51 F CB 1.179 40.189 39.000 0.016 0.000 1.120 51 F HN 0.825 nan 8.300 nan 0.000 0.495 52 N N 1.096 119.874 118.700 0.130 0.000 2.482 52 N HA 0.024 4.763 4.740 -0.001 0.000 0.179 52 N C -0.397 175.177 175.510 0.105 0.000 1.039 52 N CA 0.689 53.791 53.050 0.087 0.000 0.884 52 N CB 0.667 39.178 38.487 0.041 0.000 1.113 52 N HN 0.551 nan 8.380 nan 0.000 0.440 53 T N 0.528 115.128 114.554 0.076 0.000 3.193 53 T HA 0.404 4.753 4.350 -0.001 0.000 0.332 53 T C -1.512 173.185 174.700 -0.005 0.000 1.208 53 T CA -0.467 61.587 62.100 -0.077 0.000 1.080 53 T CB 2.375 71.044 68.868 -0.332 0.000 1.180 53 T HN -0.151 nan 8.240 nan 0.000 0.469 54 V N 2.884 122.807 119.914 0.015 0.000 2.462 54 V HA 0.781 4.900 4.120 -0.001 0.000 0.288 54 V C -0.084 176.074 176.094 0.107 0.000 1.020 54 V CA -0.484 61.868 62.300 0.087 0.000 0.857 54 V CB 1.606 33.472 31.823 0.071 0.000 1.013 54 V HN 0.963 nan 8.190 nan 0.000 0.431 55 T N 3.822 118.474 114.554 0.162 0.000 2.816 55 T HA 0.640 4.989 4.350 -0.001 0.000 0.299 55 T C -1.253 173.599 174.700 0.254 0.000 1.230 55 T CA -0.502 61.740 62.100 0.237 0.000 1.007 55 T CB 1.673 70.723 68.868 0.303 0.000 1.289 55 T HN 0.542 nan 8.240 nan 0.000 0.508 56 L N 2.812 124.170 121.223 0.224 0.000 2.456 56 L HA 0.637 4.976 4.340 -0.001 0.000 0.272 56 L C 0.154 177.119 176.870 0.159 0.000 1.189 56 L CA 0.014 54.956 54.840 0.170 0.000 0.846 56 L CB 0.522 42.661 42.059 0.134 0.000 1.111 56 L HN 0.606 nan 8.230 nan 0.000 0.475 57 R N 4.245 124.823 120.500 0.131 0.000 2.278 57 R HA 0.319 4.658 4.340 -0.001 0.000 0.322 57 R C -0.629 175.698 176.300 0.044 0.000 1.058 57 R CA -0.247 55.905 56.100 0.086 0.000 0.991 57 R CB -0.193 30.173 30.300 0.111 0.000 1.140 57 R HN 0.749 nan 8.270 nan 0.000 0.518 58 E N 5.043 125.253 120.200 0.016 0.000 2.467 58 E HA 0.024 4.373 4.350 -0.001 0.000 0.264 58 E C -1.838 174.770 176.600 0.012 0.000 1.020 58 E CA -1.113 55.283 56.400 -0.006 0.000 0.945 58 E CB 0.164 29.835 29.700 -0.047 0.000 0.942 58 E HN 0.544 nan 8.360 nan 0.000 0.449 59 P HA 0.018 nan 4.420 nan 0.000 0.272 59 P C -0.889 176.466 177.300 0.092 0.000 1.240 59 P CA -0.267 62.868 63.100 0.059 0.000 0.791 59 P CB 0.520 32.270 31.700 0.082 0.000 0.978 60 A N 1.817 124.694 122.820 0.094 0.000 2.498 60 A HA 0.013 4.332 4.320 -0.001 0.000 0.239 60 A C 1.832 179.499 177.584 0.138 0.000 1.068 60 A CA -0.121 51.982 52.037 0.110 0.000 0.766 60 A CB -0.360 18.691 19.000 0.085 0.000 1.003 60 A HN 0.690 nan 8.150 nan 0.000 0.497 61 R N 1.072 121.635 120.500 0.105 0.000 2.096 61 R HA -0.169 4.171 4.340 -0.001 0.000 0.240 61 R C 1.989 178.258 176.300 -0.052 0.000 1.139 61 R CA 2.041 58.097 56.100 -0.073 0.000 0.952 61 R CB -0.156 29.898 30.300 -0.410 0.000 0.854 61 R HN 0.812 nan 8.270 nan 0.000 0.436 62 K N -0.025 120.362 120.400 -0.021 0.000 2.026 62 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 62 K C 1.946 178.577 176.600 0.052 0.000 1.048 62 K CA 1.523 57.809 56.287 -0.003 0.000 0.929 62 K CB -0.217 32.289 32.500 0.011 0.000 0.713 62 K HN 0.288 nan 8.250 nan 0.000 0.439 63 A N 0.427 123.297 122.820 0.082 0.000 1.877 63 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 63 A C 2.122 179.795 177.584 0.148 0.000 1.186 63 A CA 1.583 53.678 52.037 0.096 0.000 0.620 63 A CB -0.961 18.087 19.000 0.081 0.000 0.822 63 A HN 0.543 nan 8.150 nan 0.000 0.443 64 Y N 0.527 120.886 120.300 0.100 0.000 2.097 64 Y HA -0.230 4.319 4.550 -0.001 0.000 0.282 64 Y C 2.043 178.116 175.900 0.288 0.000 1.152 64 Y CA 2.009 60.227 58.100 0.198 0.000 1.136 64 Y CB -0.299 38.283 38.460 0.204 0.000 0.975 64 Y HN 0.273 nan 8.280 nan 0.000 0.498 65 I N 0.162 120.843 120.570 0.184 0.000 2.226 65 I HA -0.371 3.798 4.170 -0.001 0.000 0.245 65 I C 2.455 178.556 176.117 -0.025 0.000 1.100 65 I CA 1.726 63.065 61.300 0.065 0.000 1.374 65 I CB -0.553 37.472 38.000 0.041 0.000 1.057 65 I HN 0.363 nan 8.210 nan 0.000 0.413 66 Q N -0.382 119.426 119.800 0.014 0.000 2.061 66 Q HA -0.286 4.053 4.340 -0.001 0.000 0.204 66 Q C 2.034 178.029 176.000 -0.009 0.000 0.984 66 Q CA 2.360 58.164 55.803 0.002 0.000 0.846 66 Q CB -0.366 28.392 28.738 0.032 0.000 0.902 66 Q HN 0.653 nan 8.270 nan 0.000 0.421 67 W N 1.618 122.814 121.300 -0.173 0.000 2.358 67 W HA -0.160 4.499 4.660 -0.001 0.000 0.303 67 W C 1.996 178.367 176.519 -0.248 0.000 1.208 67 W CA 1.219 58.444 57.345 -0.199 0.000 1.274 67 W CB -0.028 29.293 29.460 -0.230 0.000 1.138 67 W HN -0.136 nan 8.180 nan 0.000 0.515 68 K N 0.221 120.304 120.400 -0.528 0.000 2.097 68 K HA -0.150 4.169 4.320 -0.001 0.000 0.205 68 K C 1.200 177.505 176.600 -0.491 0.000 1.050 68 K CA 1.930 57.727 56.287 -0.817 0.000 0.938 68 K CB -0.087 32.111 32.500 -0.504 0.000 0.718 68 K HN 0.394 nan 8.250 nan 0.000 0.442 69 E N -1.306 118.726 120.200 -0.281 0.000 2.572 69 E HA 0.038 4.388 4.350 -0.001 0.000 0.220 69 E C 0.432 176.946 176.600 -0.144 0.000 0.945 69 E CA -0.042 56.247 56.400 -0.184 0.000 1.070 69 E CB 0.825 30.465 29.700 -0.099 0.000 1.090 69 E HN 0.195 nan 8.360 nan 0.000 0.506 70 Q N 0.190 119.907 119.800 -0.139 0.000 2.135 70 Q HA 0.221 4.560 4.340 -0.001 0.000 0.231 70 Q C 0.492 176.435 176.000 -0.095 0.000 0.817 70 Q CA 0.133 55.880 55.803 -0.093 0.000 1.073 70 Q CB 1.510 30.215 28.738 -0.055 0.000 1.176 70 Q HN 0.329 nan 8.270 nan 0.000 0.478 71 G N 0.737 109.445 108.800 -0.153 0.000 2.203 71 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.263 71 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.263 71 G C 0.472 175.336 174.900 -0.059 0.000 1.012 71 G CA 0.018 45.040 45.100 -0.131 0.000 0.749 71 G HN 0.511 nan 8.290 nan 0.000 0.512 72 G N 0.062 108.844 108.800 -0.031 0.000 2.667 72 G HA2 0.566 4.525 3.960 -0.001 0.000 0.250 72 G HA3 0.566 4.525 3.960 -0.001 0.000 0.250 72 G C -1.239 173.757 174.900 0.161 0.000 1.212 72 G CA -0.240 44.895 45.100 0.057 0.000 0.874 72 G HN 0.337 nan 8.290 nan 0.000 0.561 73 P HA 0.135 nan 4.420 nan 0.000 0.272 73 P C -0.316 177.095 177.300 0.184 0.000 1.230 73 P CA -0.696 62.501 63.100 0.162 0.000 0.788 73 P CB 0.964 32.710 31.700 0.076 0.000 0.949 74 L N 4.267 125.544 121.223 0.090 0.000 2.462 74 L HA 0.239 4.579 4.340 -0.001 0.000 0.272 74 L C -2.060 174.688 176.870 -0.203 0.000 1.166 74 L CA -1.451 53.250 54.840 -0.232 0.000 0.880 74 L CB -0.876 41.099 42.059 -0.140 0.000 1.142 74 L HN 0.286 nan 8.230 nan 0.000 0.473 75 P HA 0.206 nan 4.420 nan 0.000 0.269 75 P C -2.535 174.700 177.300 -0.109 0.000 1.215 75 P CA -0.908 62.106 63.100 -0.143 0.000 0.780 75 P CB -0.311 31.312 31.700 -0.128 0.000 0.898 76 P HA 0.188 nan 4.420 nan 0.000 0.268 76 P C -0.358 176.929 177.300 -0.023 0.000 1.205 76 P CA -0.160 62.924 63.100 -0.027 0.000 0.771 76 P CB 0.392 32.090 31.700 -0.003 0.000 0.858 77 R N 3.088 123.579 120.500 -0.015 0.000 2.248 77 R HA 0.356 4.695 4.340 -0.001 0.000 0.337 77 R C -0.768 175.548 176.300 0.027 0.000 1.085 77 R CA 0.149 56.249 56.100 0.001 0.000 0.934 77 R CB -0.917 29.383 30.300 0.001 0.000 1.034 77 R HN 0.430 nan 8.270 nan 0.000 0.465 78 L N 2.678 123.927 121.223 0.043 0.000 2.333 78 L HA 0.816 5.156 4.340 -0.001 0.000 0.269 78 L C -0.325 176.608 176.870 0.104 0.000 1.010 78 L CA -1.318 53.564 54.840 0.071 0.000 0.818 78 L CB 2.193 44.295 42.059 0.073 0.000 1.306 78 L HN 0.642 nan 8.230 nan 0.000 0.430 79 A N 1.274 124.174 122.820 0.135 0.000 2.355 79 A HA 0.612 4.932 4.320 -0.001 0.000 0.317 79 A C -1.714 176.024 177.584 0.257 0.000 1.094 79 A CA -0.391 51.753 52.037 0.177 0.000 0.764 79 A CB 1.110 20.195 19.000 0.142 0.000 1.230 79 A HN 0.605 nan 8.150 nan 0.000 0.448 80 Y N 3.110 123.489 120.300 0.132 0.000 2.330 80 Y HA 0.614 5.163 4.550 -0.001 0.000 0.336 80 Y C -0.859 175.135 175.900 0.156 0.000 1.036 80 Y CA -0.950 57.210 58.100 0.101 0.000 1.125 80 Y CB 0.920 39.417 38.460 0.062 0.000 1.194 80 Y HN 0.739 nan 8.280 nan 0.000 0.469 81 Y N 3.297 123.240 120.300 -0.595 0.000 2.570 81 Y HA 0.834 5.383 4.550 -0.001 0.000 0.345 81 Y C -2.058 173.478 175.900 -0.607 0.000 1.014 81 Y CA -1.767 56.063 58.100 -0.449 0.000 1.063 81 Y CB 1.351 39.791 38.460 -0.034 0.000 1.272 81 Y HN 0.359 nan 8.280 nan 0.000 0.477 82 V N 5.105 124.901 119.914 -0.197 0.000 2.524 82 V HA 0.479 4.599 4.120 -0.001 0.000 0.297 82 V C -0.267 175.822 176.094 -0.009 0.000 1.035 82 V CA -0.703 61.503 62.300 -0.155 0.000 0.867 82 V CB 1.191 32.976 31.823 -0.064 0.000 1.004 82 V HN 0.858 nan 8.190 nan 0.000 0.426 83 I N 2.751 123.287 120.570 -0.057 0.000 3.067 83 I HA 0.728 4.898 4.170 -0.001 0.000 0.312 83 I C -1.339 174.650 176.117 -0.213 0.000 1.073 83 I CA -1.016 60.159 61.300 -0.210 0.000 1.016 83 I CB 2.336 40.102 38.000 -0.391 0.000 1.227 83 I HN 0.247 nan 8.210 nan 0.000 0.456 84 L N 2.006 123.087 121.223 -0.237 0.000 2.362 84 L HA 0.555 4.894 4.340 -0.001 0.000 0.271 84 L C -0.623 176.115 176.870 -0.219 0.000 1.002 84 L CA -0.322 54.407 54.840 -0.186 0.000 0.818 84 L CB 1.898 43.882 42.059 -0.126 0.000 1.298 84 L HN 0.809 nan 8.230 nan 0.000 0.420 85 E N 1.621 121.707 120.200 -0.190 0.000 2.199 85 E HA 0.569 4.918 4.350 -0.001 0.000 0.265 85 E C -0.556 175.977 176.600 -0.113 0.000 0.882 85 E CA -0.693 55.600 56.400 -0.178 0.000 0.759 85 E CB 2.065 31.641 29.700 -0.206 0.000 1.148 85 E HN 0.728 nan 8.360 nan 0.000 0.412 86 A N 3.076 125.843 122.820 -0.088 0.000 2.584 86 A HA 0.354 4.673 4.320 -0.001 0.000 0.239 86 A C 1.299 178.853 177.584 -0.050 0.000 1.043 86 A CA 1.009 53.011 52.037 -0.058 0.000 0.756 86 A CB -0.582 18.392 19.000 -0.044 0.000 0.963 86 A HN 1.269 nan 8.150 nan 0.000 0.511 87 G N 1.405 110.181 108.800 -0.039 0.000 2.184 87 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.264 87 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.264 87 G C 0.244 175.124 174.900 -0.033 0.000 0.975 87 G CA 0.827 45.909 45.100 -0.030 0.000 0.642 87 G HN 0.757 nan 8.290 nan 0.000 0.536 88 K N 0.912 121.283 120.400 -0.048 0.000 2.207 88 K HA 0.559 4.878 4.320 -0.001 0.000 0.255 88 K C -2.302 174.268 176.600 -0.049 0.000 0.941 88 K CA -1.845 54.412 56.287 -0.050 0.000 0.825 88 K CB 2.240 34.695 32.500 -0.075 0.000 1.119 88 K HN 0.153 nan 8.250 nan 0.000 0.430 89 P HA 0.257 nan 4.420 nan 0.000 0.282 89 P C 0.523 177.795 177.300 -0.047 0.000 1.249 89 P CA 0.134 63.215 63.100 -0.031 0.000 0.806 89 P CB 0.938 32.631 31.700 -0.013 0.000 0.984 90 G N 1.147 109.917 108.800 -0.050 0.000 2.531 90 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.274 90 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.274 90 G C -0.242 174.589 174.900 -0.116 0.000 1.159 90 G CA 0.515 45.568 45.100 -0.078 0.000 0.969 90 G HN 1.009 nan 8.290 nan 0.000 0.554 91 V N -3.795 116.028 119.914 -0.152 0.000 3.112 91 V HA 0.961 5.080 4.120 -0.001 0.000 0.310 91 V C -0.646 175.354 176.094 -0.158 0.000 1.364 91 V CA -0.275 61.919 62.300 -0.176 0.000 1.058 91 V CB 1.873 33.550 31.823 -0.243 0.000 1.079 91 V HN 1.155 nan 8.190 nan 0.000 0.463 92 K N 0.656 120.962 120.400 -0.157 0.000 2.468 92 K HA 0.670 4.989 4.320 -0.001 0.000 0.252 92 K C -1.248 175.277 176.600 -0.125 0.000 0.932 92 K CA -0.496 55.727 56.287 -0.107 0.000 0.794 92 K CB 2.455 34.873 32.500 -0.137 0.000 1.241 92 K HN 1.015 nan 8.250 nan 0.000 0.428 93 E N 0.785 120.888 120.200 -0.160 0.000 2.433 93 E HA 0.841 5.190 4.350 -0.001 0.000 0.273 93 E C -0.358 175.892 176.600 -0.584 0.000 0.950 93 E CA -1.339 54.797 56.400 -0.441 0.000 0.796 93 E CB 2.270 31.885 29.700 -0.141 0.000 1.330 93 E HN 0.617 nan 8.360 nan 0.000 0.455 94 G N -0.176 108.016 108.800 -1.014 0.000 2.321 94 G HA2 0.382 4.341 3.960 -0.001 0.000 0.296 94 G HA3 0.382 4.341 3.960 -0.001 0.000 0.296 94 G C -1.833 172.870 174.900 -0.329 0.000 1.287 94 G CA -1.038 43.742 45.100 -0.534 0.000 0.846 94 G HN 0.397 nan 8.290 nan 0.000 0.508 95 L N -0.286 120.975 121.223 0.064 0.000 2.354 95 L HA 0.777 5.116 4.340 -0.001 0.000 0.269 95 L C -0.433 176.566 176.870 0.215 0.000 1.005 95 L CA -1.251 53.697 54.840 0.181 0.000 0.819 95 L CB 2.257 44.396 42.059 0.133 0.000 1.311 95 L HN 0.354 nan 8.230 nan 0.000 0.423 96 V N 0.599 120.633 119.914 0.201 0.000 2.448 96 V HA 0.186 4.305 4.120 -0.001 0.000 0.295 96 V C -0.744 175.395 176.094 0.076 0.000 1.025 96 V CA -0.501 61.864 62.300 0.109 0.000 0.859 96 V CB 1.961 33.833 31.823 0.081 0.000 0.988 96 V HN 0.729 nan 8.190 nan 0.000 0.431 97 D N 3.841 124.268 120.400 0.045 0.000 2.422 97 D HA 0.282 4.922 4.640 -0.001 0.000 0.227 97 D C 1.097 177.413 176.300 0.026 0.000 1.190 97 D CA -0.152 53.869 54.000 0.035 0.000 0.905 97 D CB 0.763 41.579 40.800 0.026 0.000 1.034 97 D HN 0.450 nan 8.370 nan 0.000 0.507 98 L N 3.202 124.442 121.223 0.028 0.000 2.081 98 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 98 L C 2.431 179.308 176.870 0.011 0.000 1.080 98 L CA 1.445 56.296 54.840 0.019 0.000 0.754 98 L CB -0.438 41.635 42.059 0.022 0.000 0.893 98 L HN 0.551 nan 8.230 nan 0.000 0.433 99 A N -0.235 122.592 122.820 0.011 0.000 1.908 99 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 99 A C 2.349 179.938 177.584 0.008 0.000 1.181 99 A CA 2.181 54.223 52.037 0.008 0.000 0.627 99 A CB -0.572 18.432 19.000 0.007 0.000 0.818 99 A HN 0.520 nan 8.150 nan 0.000 0.445 100 S N -1.300 114.406 115.700 0.010 0.000 2.557 100 S HA 0.416 4.885 4.470 -0.001 0.000 0.223 100 S C 0.433 175.039 174.600 0.009 0.000 0.969 100 S CA 0.061 58.267 58.200 0.010 0.000 0.927 100 S CB -0.634 62.574 63.200 0.012 0.000 0.806 100 S HN 0.580 nan 8.310 nan 0.000 0.489 101 L N 2.203 123.430 121.223 0.007 0.000 3.965 101 L HA -0.188 4.151 4.340 -0.001 0.000 0.499 101 L C -0.105 176.766 176.870 0.002 0.000 1.194 101 L CA 0.563 55.404 54.840 0.002 0.000 0.707 101 L CB -2.235 39.824 42.059 0.000 0.000 1.414 101 L HN 0.709 nan 8.230 nan 0.000 0.802 102 S N -1.805 113.896 115.700 0.001 0.000 2.536 102 S HA 0.657 5.126 4.470 -0.001 0.000 0.271 102 S C -0.404 174.178 174.600 -0.030 0.000 1.134 102 S CA -1.091 57.107 58.200 -0.004 0.000 0.897 102 S CB 2.294 65.502 63.200 0.013 0.000 1.094 102 S HN -0.019 nan 8.310 nan 0.000 0.473 103 V N 3.631 123.484 119.914 -0.102 0.000 2.446 103 V HA 0.144 4.263 4.120 -0.001 0.000 0.276 103 V C 1.286 177.314 176.094 -0.110 0.000 1.030 103 V CA 0.027 62.210 62.300 -0.195 0.000 1.033 103 V CB -0.062 31.351 31.823 -0.684 0.000 0.993 103 V HN 0.899 nan 8.190 nan 0.000 0.477 104 I N 1.441 121.997 120.570 -0.024 0.000 3.956 104 I HA 0.520 4.690 4.170 -0.001 0.000 0.333 104 I C 0.530 176.655 176.117 0.013 0.000 1.302 104 I CA 0.290 61.592 61.300 0.004 0.000 1.122 104 I CB 0.399 38.414 38.000 0.025 0.000 1.013 104 I HN 0.637 nan 8.210 nan 0.000 0.405 105 E N 0.639 120.844 120.200 0.008 0.000 2.388 105 E HA 0.408 4.757 4.350 -0.001 0.000 0.289 105 E C -1.395 175.219 176.600 0.022 0.000 0.944 105 E CA -0.385 56.030 56.400 0.025 0.000 0.792 105 E CB 2.173 31.898 29.700 0.040 0.000 1.239 105 E HN 0.123 nan 8.360 nan 0.000 0.412 106 T N 2.835 117.413 114.554 0.040 0.000 2.885 106 T HA 0.673 5.022 4.350 -0.001 0.000 0.322 106 T C -1.956 172.806 174.700 0.102 0.000 1.387 106 T CA -0.649 61.499 62.100 0.080 0.000 1.041 106 T CB 1.090 70.052 68.868 0.156 0.000 1.287 106 T HN 0.644 nan 8.240 nan 0.000 0.491 107 R N 1.550 122.105 120.500 0.091 0.000 2.664 107 R HA 0.802 5.142 4.340 -0.001 0.000 0.266 107 R C -1.892 174.440 176.300 0.053 0.000 1.046 107 R CA -1.083 55.066 56.100 0.081 0.000 0.885 107 R CB 0.952 31.286 30.300 0.057 0.000 1.254 107 R HN 0.717 nan 8.270 nan 0.000 0.465 108 A N 2.395 125.242 122.820 0.045 0.000 2.304 108 A HA 0.646 4.966 4.320 -0.001 0.000 0.323 108 A C -1.136 176.442 177.584 -0.009 0.000 1.195 108 A CA -0.759 51.281 52.037 0.005 0.000 0.826 108 A CB 1.048 20.054 19.000 0.011 0.000 1.184 108 A HN 0.397 nan 8.150 nan 0.000 0.496 109 L N 2.846 124.042 121.223 -0.045 0.000 2.356 109 L HA 0.349 4.689 4.340 -0.001 0.000 0.264 109 L C 0.927 177.761 176.870 -0.061 0.000 1.029 109 L CA 0.238 55.049 54.840 -0.049 0.000 0.897 109 L CB 0.427 42.437 42.059 -0.083 0.000 1.256 109 L HN 0.913 nan 8.230 nan 0.000 0.444 110 E N 0.445 120.628 120.200 -0.030 0.000 2.427 110 E HA -0.049 4.301 4.350 -0.001 0.000 0.196 110 E C 0.432 177.026 176.600 -0.010 0.000 1.028 110 E CA 0.980 57.366 56.400 -0.024 0.000 0.864 110 E CB 0.345 30.040 29.700 -0.008 0.000 0.813 110 E HN 0.640 nan 8.360 nan 0.000 0.514 111 T N -1.465 113.089 114.554 0.000 0.000 3.308 111 T HA 0.427 4.776 4.350 -0.001 0.000 0.270 111 T C -0.150 174.572 174.700 0.038 0.000 0.992 111 T CA -0.428 61.689 62.100 0.029 0.000 0.931 111 T CB 0.300 69.195 68.868 0.046 0.000 1.142 111 T HN -0.173 nan 8.240 nan 0.000 0.525 112 V N 0.660 120.573 119.914 -0.002 0.000 3.130 112 V HA 0.654 4.773 4.120 -0.001 0.000 0.310 112 V C -1.646 174.431 176.094 -0.029 0.000 1.158 112 V CA -0.783 61.515 62.300 -0.004 0.000 1.029 112 V CB 2.532 34.319 31.823 -0.060 0.000 1.057 112 V HN 0.350 nan 8.190 nan 0.000 0.436 113 Q N 3.444 123.254 119.800 0.017 0.000 2.347 113 Q HA 0.568 4.908 4.340 -0.001 0.000 0.271 113 Q C -2.719 173.310 176.000 0.047 0.000 1.064 113 Q CA -1.870 53.940 55.803 0.012 0.000 0.800 113 Q CB 2.671 31.440 28.738 0.052 0.000 1.304 113 Q HN 0.470 nan 8.270 nan 0.000 0.438 114 P HA 0.343 nan 4.420 nan 0.000 0.287 114 P C -0.002 177.364 177.300 0.110 0.000 1.296 114 P CA -0.808 62.382 63.100 0.150 0.000 0.811 114 P CB 1.227 32.993 31.700 0.111 0.000 1.211 115 I N 0.181 120.834 120.570 0.139 0.000 2.880 115 I HA -0.085 4.084 4.170 -0.001 0.000 0.296 115 I C -0.040 176.145 176.117 0.112 0.000 1.220 115 I CA 0.033 61.390 61.300 0.096 0.000 1.435 115 I CB 0.041 38.147 38.000 0.176 0.000 1.339 115 I HN 0.115 nan 8.210 nan 0.000 0.583 116 L N 7.685 128.957 121.223 0.083 0.000 2.283 116 L HA 0.202 4.541 4.340 -0.001 0.000 0.287 116 L C 0.692 177.653 176.870 0.151 0.000 1.073 116 L CA -0.405 54.510 54.840 0.125 0.000 0.822 116 L CB 0.676 42.837 42.059 0.169 0.000 1.186 116 L HN 0.661 nan 8.230 nan 0.000 0.436 117 T N -0.647 113.928 114.554 0.035 0.000 2.813 117 T HA 0.102 4.451 4.350 -0.001 0.000 0.297 117 T C 1.467 176.100 174.700 -0.112 0.000 1.036 117 T CA -0.291 61.698 62.100 -0.184 0.000 1.044 117 T CB 1.473 70.180 68.868 -0.268 0.000 0.993 117 T HN 0.394 nan 8.240 nan 0.000 0.535 118 V N -0.257 119.545 119.914 -0.186 0.000 2.720 118 V HA -0.070 4.049 4.120 -0.001 0.000 0.256 118 V C 2.139 178.214 176.094 -0.033 0.000 1.082 118 V CA 1.766 64.027 62.300 -0.065 0.000 1.101 118 V CB -1.149 30.647 31.823 -0.045 0.000 0.693 118 V HN 0.954 nan 8.190 nan 0.000 0.479 119 E N 1.294 121.459 120.200 -0.057 0.000 2.072 119 E HA -0.172 4.177 4.350 -0.001 0.000 0.190 119 E C 1.829 178.429 176.600 0.001 0.000 0.982 119 E CA 1.637 58.025 56.400 -0.020 0.000 0.803 119 E CB -0.171 29.515 29.700 -0.023 0.000 0.755 119 E HN 0.929 nan 8.360 nan 0.000 0.453 120 D N 0.202 120.604 120.400 0.002 0.000 2.317 120 D HA -0.099 4.540 4.640 -0.001 0.000 0.211 120 D C 1.673 177.998 176.300 0.043 0.000 0.966 120 D CA 0.547 54.560 54.000 0.022 0.000 0.876 120 D CB -0.068 40.747 40.800 0.026 0.000 0.927 120 D HN 0.153 nan 8.370 nan 0.000 0.519 121 L N -0.256 120.997 121.223 0.050 0.000 2.249 121 L HA 0.034 4.373 4.340 -0.001 0.000 0.207 121 L C 1.702 178.610 176.870 0.064 0.000 1.090 121 L CA 0.313 55.197 54.840 0.074 0.000 0.802 121 L CB -0.025 42.082 42.059 0.080 0.000 0.947 121 L HN 0.171 nan 8.230 nan 0.000 0.453 122 C N -0.332 118.996 119.300 0.046 0.000 2.448 122 C HA -0.083 4.376 4.460 -0.001 0.000 0.280 122 C C 3.000 178.016 174.990 0.044 0.000 1.398 122 C CA 1.117 60.163 59.018 0.047 0.000 1.774 122 C CB -0.790 26.973 27.740 0.038 0.000 1.888 122 C HN 0.626 nan 8.230 nan 0.000 0.519 123 S N -0.306 115.416 115.700 0.037 0.000 2.436 123 S HA -0.115 4.354 4.470 -0.001 0.000 0.228 123 S C 1.543 176.164 174.600 0.034 0.000 1.014 123 S CA 1.472 59.690 58.200 0.030 0.000 0.950 123 S CB -0.819 62.395 63.200 0.023 0.000 0.784 123 S HN 0.597 nan 8.310 nan 0.000 0.504 124 T N 2.544 117.126 114.554 0.047 0.000 2.685 124 T HA -0.195 4.154 4.350 -0.001 0.000 0.268 124 T C 1.673 176.405 174.700 0.053 0.000 1.034 124 T CA 1.909 64.041 62.100 0.054 0.000 1.149 124 T CB -0.426 68.487 68.868 0.076 0.000 0.860 124 T HN 0.648 nan 8.240 nan 0.000 0.449 125 E N 0.219 120.454 120.200 0.057 0.000 2.077 125 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 125 E C 2.251 178.859 176.600 0.014 0.000 0.989 125 E CA 1.035 57.462 56.400 0.045 0.000 0.800 125 E CB 0.015 29.744 29.700 0.048 0.000 0.746 125 E HN 0.275 nan 8.360 nan 0.000 0.452 126 E N -0.180 120.027 120.200 0.011 0.000 2.107 126 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 126 E C 2.044 178.649 176.600 0.009 0.000 0.982 126 E CA 0.991 57.392 56.400 0.001 0.000 0.809 126 E CB -0.127 29.575 29.700 0.003 0.000 0.756 126 E HN 0.280 nan 8.360 nan 0.000 0.459 127 V N 0.742 120.666 119.914 0.016 0.000 2.427 127 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 127 V C 2.122 178.229 176.094 0.022 0.000 1.051 127 V CA 1.898 64.207 62.300 0.016 0.000 1.048 127 V CB -0.660 31.172 31.823 0.015 0.000 0.666 127 V HN 0.435 nan 8.190 nan 0.000 0.456 128 I N -1.656 118.934 120.570 0.033 0.000 2.617 128 I HA 0.011 4.181 4.170 -0.001 0.000 0.256 128 I C 2.657 178.802 176.117 0.046 0.000 1.167 128 I CA 1.336 62.666 61.300 0.050 0.000 1.469 128 I CB -0.641 37.404 38.000 0.075 0.000 1.098 128 I HN 0.115 nan 8.210 nan 0.000 0.436 129 R N 1.199 121.715 120.500 0.027 0.000 2.115 129 R HA -0.020 4.319 4.340 -0.001 0.000 0.230 129 R C 1.375 177.685 176.300 0.016 0.000 1.111 129 R CA 1.388 57.498 56.100 0.016 0.000 0.976 129 R CB -0.169 30.124 30.300 -0.012 0.000 0.870 129 R HN 0.495 nan 8.270 nan 0.000 0.445 130 N N 0.497 119.204 118.700 0.013 0.000 2.280 130 N HA -0.055 4.684 4.740 -0.001 0.000 0.192 130 N C -0.636 174.877 175.510 0.005 0.000 1.109 130 N CA 0.266 53.320 53.050 0.008 0.000 0.855 130 N CB 0.300 38.790 38.487 0.005 0.000 0.974 130 N HN 0.210 nan 8.380 nan 0.000 0.482 131 D N 0.951 121.356 120.400 0.009 0.000 2.312 131 D HA 0.150 4.789 4.640 -0.001 0.000 0.252 131 D C -1.571 174.721 176.300 -0.012 0.000 1.150 131 D CA -1.902 52.098 54.000 0.000 0.000 0.870 131 D CB 1.893 42.696 40.800 0.006 0.000 1.153 131 D HN -0.101 nan 8.370 nan 0.000 0.457 132 P HA -0.183 nan 4.420 nan 0.000 0.216 132 P C 0.811 178.077 177.300 -0.056 0.000 1.150 132 P CA 1.292 64.372 63.100 -0.032 0.000 0.843 132 P CB 0.124 31.807 31.700 -0.029 0.000 0.787 133 A N -0.634 122.148 122.820 -0.065 0.000 1.858 133 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 133 A C 2.372 179.870 177.584 -0.143 0.000 1.190 133 A CA 1.869 53.843 52.037 -0.105 0.000 0.617 133 A CB -1.696 17.244 19.000 -0.102 0.000 0.827 133 A HN 0.018 nan 8.150 nan 0.000 0.443 134 V N 0.237 120.097 119.914 -0.089 0.000 2.287 134 V HA -0.304 3.815 4.120 -0.001 0.000 0.248 134 V C 2.441 178.480 176.094 -0.093 0.000 1.053 134 V CA 2.243 64.500 62.300 -0.071 0.000 1.027 134 V CB -0.733 31.128 31.823 0.064 0.000 0.646 134 V HN 0.576 nan 8.190 nan 0.000 0.447 135 I N -0.116 120.425 120.570 -0.049 0.000 2.264 135 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 135 I C 2.569 178.639 176.117 -0.078 0.000 1.111 135 I CA 1.917 63.195 61.300 -0.036 0.000 1.382 135 I CB -0.349 37.640 38.000 -0.020 0.000 1.060 135 I HN 0.419 nan 8.210 nan 0.000 0.418 136 E N 0.446 120.577 120.200 -0.115 0.000 2.106 136 E HA -0.244 4.105 4.350 -0.001 0.000 0.192 136 E C 2.133 178.619 176.600 -0.190 0.000 0.984 136 E CA 0.940 57.263 56.400 -0.129 0.000 0.806 136 E CB 0.158 29.782 29.700 -0.127 0.000 0.750 136 E HN 0.420 nan 8.360 nan 0.000 0.458 137 Q N -0.062 119.540 119.800 -0.330 0.000 2.167 137 Q HA -0.108 4.232 4.340 -0.001 0.000 0.202 137 Q C 2.330 178.134 176.000 -0.327 0.000 0.970 137 Q CA 0.976 56.451 55.803 -0.546 0.000 0.855 137 Q CB -0.544 27.396 28.738 -1.329 0.000 0.911 137 Q HN 0.424 nan 8.270 nan 0.000 0.438 138 C N -0.271 118.935 119.300 -0.156 0.000 2.446 138 C HA -0.051 4.409 4.460 -0.001 0.000 0.277 138 C C 2.841 177.821 174.990 -0.017 0.000 1.275 138 C CA 0.388 59.425 59.018 0.032 0.000 1.727 138 C CB -0.893 26.894 27.740 0.079 0.000 2.010 138 C HN 0.250 nan 8.230 nan 0.000 0.486 139 V N 0.738 120.625 119.914 -0.046 0.000 2.332 139 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 139 V C 2.421 178.486 176.094 -0.048 0.000 1.055 139 V CA 1.581 63.856 62.300 -0.041 0.000 1.038 139 V CB -0.702 31.095 31.823 -0.044 0.000 0.651 139 V HN 0.390 nan 8.190 nan 0.000 0.450 140 L N 0.126 121.308 121.223 -0.070 0.000 2.046 140 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 140 L C 2.436 179.285 176.870 -0.036 0.000 1.077 140 L CA 1.845 56.647 54.840 -0.062 0.000 0.747 140 L CB -1.218 40.784 42.059 -0.095 0.000 0.896 140 L HN 0.304 nan 8.230 nan 0.000 0.432 141 S N -0.633 115.055 115.700 -0.019 0.000 2.603 141 S HA 0.174 4.643 4.470 -0.001 0.000 0.229 141 S C 1.364 175.947 174.600 -0.027 0.000 0.972 141 S CA 0.724 58.933 58.200 0.015 0.000 0.935 141 S CB -0.223 63.042 63.200 0.109 0.000 0.769 141 S HN 0.681 nan 8.310 nan 0.000 0.536 142 G N 1.058 109.833 108.800 -0.042 0.000 2.131 142 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.201 142 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.201 142 G C -0.148 174.697 174.900 -0.092 0.000 1.000 142 G CA -0.409 44.654 45.100 -0.061 0.000 0.680 142 G HN 0.474 nan 8.290 nan 0.000 0.514 143 I N 1.384 121.907 120.570 -0.078 0.000 2.411 143 I HA 0.338 4.507 4.170 -0.001 0.000 0.284 143 I C -2.226 173.880 176.117 -0.019 0.000 1.012 143 I CA -2.574 58.679 61.300 -0.079 0.000 1.119 143 I CB 2.229 40.173 38.000 -0.093 0.000 1.261 143 I HN -0.178 nan 8.210 nan 0.000 0.448 144 P HA -0.033 nan 4.420 nan 0.000 0.266 144 P C 0.573 177.887 177.300 0.023 0.000 1.193 144 P CA 0.049 63.157 63.100 0.012 0.000 0.770 144 P CB 0.825 32.540 31.700 0.025 0.000 0.836 145 A N 3.482 126.312 122.820 0.016 0.000 2.125 145 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 145 A C 1.511 179.118 177.584 0.039 0.000 1.156 145 A CA 1.665 53.714 52.037 0.020 0.000 0.671 145 A CB -1.298 17.706 19.000 0.006 0.000 0.794 145 A HN 0.799 nan 8.150 nan 0.000 0.459 146 N N -1.439 117.291 118.700 0.050 0.000 2.336 146 N HA 0.038 4.777 4.740 -0.001 0.000 0.189 146 N C 0.492 176.082 175.510 0.133 0.000 1.113 146 N CA 0.300 53.395 53.050 0.075 0.000 0.858 146 N CB 0.093 38.617 38.487 0.061 0.000 0.970 146 N HN 0.514 nan 8.380 nan 0.000 0.471 147 E N -0.008 120.254 120.200 0.104 0.000 2.651 147 E HA 0.205 4.554 4.350 -0.001 0.000 0.208 147 E C 0.760 177.342 176.600 -0.030 0.000 0.997 147 E CA -0.323 56.119 56.400 0.069 0.000 1.020 147 E CB 0.362 30.096 29.700 0.056 0.000 1.052 147 E HN 0.282 nan 8.360 nan 0.000 0.465 148 M N 0.717 120.345 119.600 0.048 0.000 2.539 148 M HA -0.131 4.349 4.480 -0.001 0.000 0.261 148 M C 1.830 178.104 176.300 -0.042 0.000 1.069 148 M CA 1.323 56.636 55.300 0.021 0.000 1.081 148 M CB -0.984 31.639 32.600 0.040 0.000 1.412 148 M HN 0.370 nan 8.290 nan 0.000 0.482 149 H N -1.038 118.012 119.070 -0.034 0.000 2.555 149 H HA 0.061 4.616 4.556 -0.001 0.000 0.269 149 H C 0.891 176.129 175.328 -0.149 0.000 0.988 149 H CA 0.632 56.617 56.048 -0.106 0.000 1.178 149 H CB -0.245 29.480 29.762 -0.062 0.000 1.373 149 H HN 0.360 nan 8.280 nan 0.000 0.588 150 K N 0.872 120.966 120.400 -0.511 0.000 2.358 150 K HA 0.220 4.540 4.320 -0.001 0.000 0.197 150 K C -0.014 176.586 176.600 0.001 0.000 1.025 150 K CA -0.082 56.034 56.287 -0.285 0.000 1.104 150 K CB 1.420 33.729 32.500 -0.319 0.000 0.855 150 K HN -0.007 nan 8.250 nan 0.000 0.531 151 V N 2.287 122.173 119.914 -0.047 0.000 2.407 151 V HA 0.217 4.336 4.120 -0.001 0.000 0.278 151 V C -0.714 175.319 176.094 -0.102 0.000 1.037 151 V CA -0.491 61.871 62.300 0.105 0.000 0.900 151 V CB 0.218 32.107 31.823 0.110 0.000 0.983 151 V HN 0.045 nan 8.190 nan 0.000 0.459 152 Y N 3.053 123.397 120.300 0.075 0.000 2.659 152 Y HA 0.796 5.345 4.550 -0.002 0.000 0.333 152 Y C 0.254 176.222 175.900 0.112 0.000 1.064 152 Y CA -0.998 57.145 58.100 0.071 0.000 1.141 152 Y CB 2.008 40.487 38.460 0.032 0.000 1.316 152 Y HN 0.826 nan 8.280 nan 0.000 0.509 153 C N -0.787 118.692 119.300 0.299 0.000 3.181 153 C HA 0.573 5.033 4.460 -0.001 0.000 0.362 153 C C -1.843 173.317 174.990 0.284 0.000 1.125 153 C CA -0.982 58.189 59.018 0.255 0.000 1.265 153 C CB 1.091 28.912 27.740 0.134 0.000 1.632 153 C HN 0.764 nan 8.230 nan 0.000 0.525 154 D N 5.150 125.771 120.400 0.369 0.000 2.313 154 D HA 0.488 5.127 4.640 -0.001 0.000 0.239 154 D C -2.261 174.305 176.300 0.444 0.000 1.142 154 D CA -1.079 53.172 54.000 0.417 0.000 0.847 154 D CB 1.800 42.966 40.800 0.610 0.000 1.082 154 D HN 0.577 nan 8.370 nan 0.000 0.480 155 P HA 0.217 nan 4.420 nan 0.000 0.287 155 P C -0.813 176.741 177.300 0.424 0.000 1.307 155 P CA -0.501 62.785 63.100 0.309 0.000 0.777 155 P CB 0.451 32.264 31.700 0.189 0.000 0.883 156 W N 1.421 122.803 121.300 0.136 0.000 2.762 156 W HA 0.386 5.046 4.660 0.001 0.000 0.355 156 W C 0.418 177.048 176.519 0.185 0.000 1.124 156 W CA -0.275 57.203 57.345 0.222 0.000 1.141 156 W CB 0.459 30.011 29.460 0.153 0.000 1.432 156 W HN 0.147 nan 8.180 nan 0.000 0.586 157 T N 1.341 116.156 114.554 0.436 0.000 2.860 157 T HA 0.045 4.394 4.350 -0.001 0.000 0.299 157 T C 0.990 175.800 174.700 0.183 0.000 1.045 157 T CA -0.484 61.727 62.100 0.184 0.000 1.071 157 T CB 0.803 69.689 68.868 0.030 0.000 0.985 157 T HN 0.447 nan 8.240 nan 0.000 0.537 158 I N 0.698 121.322 120.570 0.091 0.000 3.001 158 I HA 0.094 4.263 4.170 -0.001 0.000 0.268 158 I C 1.676 177.816 176.117 0.038 0.000 1.267 158 I CA 1.514 62.843 61.300 0.047 0.000 1.472 158 I CB -0.849 37.158 38.000 0.012 0.000 1.089 158 I HN 1.071 nan 8.210 nan 0.000 0.468 159 G N 0.353 109.182 108.800 0.048 0.000 4.886 159 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.305 159 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.305 159 G C 0.015 175.018 174.900 0.172 0.000 1.483 159 G CA 0.431 45.524 45.100 -0.012 0.000 1.029 159 G HN 0.471 nan 8.290 nan 0.000 0.746 160 Y N 1.757 122.098 120.300 0.070 0.000 2.376 160 Y HA 0.564 5.113 4.550 -0.001 0.000 0.321 160 Y C -2.244 173.717 175.900 0.103 0.000 1.189 160 Y CA -0.541 57.622 58.100 0.106 0.000 1.069 160 Y CB 2.022 40.549 38.460 0.111 0.000 1.292 160 Y HN 0.455 nan 8.280 nan 0.000 0.430 161 D N 5.602 125.593 120.400 -0.681 0.000 2.542 161 D HA 0.128 4.767 4.640 -0.001 0.000 0.252 161 D C 0.609 176.503 176.300 -0.678 0.000 1.222 161 D CA -0.240 53.513 54.000 -0.411 0.000 0.895 161 D CB 1.395 42.211 40.800 0.028 0.000 1.207 161 D HN 0.838 nan 8.370 nan 0.000 0.558 162 E N 3.641 123.499 120.200 -0.571 0.000 2.396 162 E HA -0.185 4.165 4.350 -0.001 0.000 0.200 162 E C 0.809 177.223 176.600 -0.311 0.000 1.023 162 E CA 0.606 56.811 56.400 -0.325 0.000 0.857 162 E CB 0.028 29.706 29.700 -0.035 0.000 0.775 162 E HN 0.468 nan 8.360 nan 0.000 0.525 163 R N -0.715 119.510 120.500 -0.459 0.000 2.153 163 R HA 0.026 4.366 4.340 -0.001 0.000 0.218 163 R C 1.440 177.208 176.300 -0.886 0.000 1.072 163 R CA 1.331 56.944 56.100 -0.813 0.000 0.990 163 R CB 0.043 29.502 30.300 -1.403 0.000 0.889 163 R HN 0.348 nan 8.270 nan 0.000 0.452 164 W N -0.693 120.495 121.300 -0.186 0.000 2.773 164 W HA 0.306 4.964 4.660 -0.003 0.000 0.297 164 W C 1.049 177.508 176.519 -0.099 0.000 1.050 164 W CA 0.508 57.776 57.345 -0.128 0.000 1.467 164 W CB 0.016 29.407 29.460 -0.115 0.000 0.977 164 W HN 0.225 nan 8.180 nan 0.000 0.573 165 G N 2.024 110.835 108.800 0.018 0.000 2.583 165 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.292 165 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.292 165 G C 0.675 175.667 174.900 0.154 0.000 1.203 165 G CA 1.959 47.118 45.100 0.097 0.000 0.987 165 G HN 0.140 nan 8.290 nan 0.000 0.554 166 T N -1.816 112.838 114.554 0.167 0.000 3.176 166 T HA 0.518 4.868 4.350 -0.001 0.000 0.263 166 T C 1.968 176.726 174.700 0.097 0.000 1.021 166 T CA 1.021 63.203 62.100 0.137 0.000 0.905 166 T CB 0.730 69.684 68.868 0.144 0.000 1.057 166 T HN 1.602 nan 8.240 nan 0.000 0.558 167 G N 1.606 110.472 108.800 0.109 0.000 2.471 167 G HA2 0.089 4.048 3.960 -0.001 0.000 0.219 167 G HA3 0.089 4.048 3.960 -0.001 0.000 0.219 167 G C 0.377 175.318 174.900 0.068 0.000 1.125 167 G CA 0.076 45.231 45.100 0.092 0.000 0.775 167 G HN 0.509 nan 8.290 nan 0.000 0.548 168 K N -0.786 119.648 120.400 0.056 0.000 2.502 168 K HA 0.377 4.696 4.320 -0.001 0.000 0.257 168 K C -1.009 175.579 176.600 -0.019 0.000 0.938 168 K CA -0.937 55.348 56.287 -0.004 0.000 0.819 168 K CB 2.404 34.863 32.500 -0.068 0.000 1.333 168 K HN -0.013 nan 8.250 nan 0.000 0.434 169 R N 2.964 123.446 120.500 -0.029 0.000 2.248 169 R HA 0.194 4.533 4.340 -0.001 0.000 0.337 169 R C -0.932 175.339 176.300 -0.048 0.000 1.085 169 R CA -0.328 55.759 56.100 -0.021 0.000 0.934 169 R CB 0.130 30.420 30.300 -0.016 0.000 1.034 169 R HN 0.287 nan 8.270 nan 0.000 0.465 170 L N 2.897 124.090 121.223 -0.050 0.000 2.322 170 L HA 0.516 4.856 4.340 -0.001 0.000 0.269 170 L C -0.146 176.711 176.870 -0.021 0.000 1.012 170 L CA -0.614 54.175 54.840 -0.086 0.000 0.815 170 L CB 1.828 43.785 42.059 -0.169 0.000 1.295 170 L HN 0.677 nan 8.230 nan 0.000 0.438 171 Q N 0.496 120.285 119.800 -0.019 0.000 2.456 171 Q HA 0.575 4.914 4.340 -0.001 0.000 0.283 171 Q C -1.471 174.549 176.000 0.034 0.000 1.084 171 Q CA -0.808 55.027 55.803 0.054 0.000 0.801 171 Q CB 3.339 32.127 28.738 0.083 0.000 1.434 171 Q HN 0.626 nan 8.270 nan 0.000 0.419 172 Q N 0.007 119.855 119.800 0.081 0.000 2.353 172 Q HA 0.823 5.163 4.340 -0.001 0.000 0.268 172 Q C -1.541 174.486 176.000 0.044 0.000 1.045 172 Q CA -1.014 54.803 55.803 0.024 0.000 0.811 172 Q CB 2.030 30.747 28.738 -0.035 0.000 1.305 172 Q HN 0.524 nan 8.270 nan 0.000 0.447 173 A N 4.569 127.395 122.820 0.010 0.000 2.253 173 A HA 0.462 4.781 4.320 -0.001 0.000 0.316 173 A C -0.348 177.186 177.584 -0.083 0.000 1.327 173 A CA -0.818 51.232 52.037 0.022 0.000 0.917 173 A CB 0.382 19.410 19.000 0.046 0.000 1.162 173 A HN 0.819 nan 8.150 nan 0.000 0.535 174 L N 4.091 125.260 121.223 -0.090 0.000 2.342 174 L HA 0.200 4.539 4.340 -0.001 0.000 0.285 174 L C -0.316 176.423 176.870 -0.218 0.000 1.095 174 L CA -0.461 54.253 54.840 -0.209 0.000 0.843 174 L CB 0.513 42.481 42.059 -0.152 0.000 1.201 174 L HN 0.416 nan 8.230 nan 0.000 0.445 175 V N 4.271 123.933 119.914 -0.421 0.000 2.583 175 V HA 0.243 4.362 4.120 -0.001 0.000 0.287 175 V C -0.289 175.442 176.094 -0.606 0.000 1.051 175 V CA -0.115 61.947 62.300 -0.396 0.000 1.010 175 V CB 0.609 32.095 31.823 -0.560 0.000 0.988 175 V HN 0.423 nan 8.190 nan 0.000 0.478 176 Y N 2.832 123.143 120.300 0.019 0.000 2.669 176 Y HA 0.662 5.212 4.550 0.000 0.000 0.335 176 Y C -0.778 175.257 175.900 0.226 0.000 1.116 176 Y CA -1.054 57.089 58.100 0.072 0.000 1.081 176 Y CB 1.998 40.429 38.460 -0.047 0.000 1.297 176 Y HN 0.581 nan 8.280 nan 0.000 0.484 177 Y N 0.922 121.409 120.300 0.311 0.000 2.433 177 Y HA 0.646 5.197 4.550 0.001 0.000 0.337 177 Y C -1.343 174.710 175.900 0.256 0.000 1.026 177 Y CA -1.215 57.045 58.100 0.265 0.000 1.037 177 Y CB 1.365 39.954 38.460 0.214 0.000 1.245 177 Y HN 0.553 nan 8.280 nan 0.000 0.443 178 R N 3.129 123.285 120.500 -0.574 0.000 2.437 178 R HA 0.316 4.655 4.340 -0.001 0.000 0.310 178 R C 0.519 176.170 176.300 -1.081 0.000 0.955 178 R CA -0.006 55.625 56.100 -0.782 0.000 0.851 178 R CB 1.717 31.645 30.300 -0.620 0.000 1.161 178 R HN 0.898 nan 8.270 nan 0.000 0.446 179 S N 0.307 115.379 115.700 -1.046 0.000 2.496 179 S HA -0.051 4.418 4.470 -0.001 0.000 0.224 179 S C 0.322 174.705 174.600 -0.362 0.000 0.996 179 S CA 0.304 58.165 58.200 -0.565 0.000 0.927 179 S CB -0.007 63.056 63.200 -0.229 0.000 0.774 179 S HN 0.697 nan 8.310 nan 0.000 0.524 180 D N 0.236 120.382 120.400 -0.423 0.000 2.947 180 D HA 0.200 4.839 4.640 -0.001 0.000 0.224 180 D C 0.646 176.786 176.300 -0.267 0.000 1.230 180 D CA -0.563 53.288 54.000 -0.249 0.000 0.871 180 D CB 1.377 42.060 40.800 -0.194 0.000 1.671 180 D HN 0.115 nan 8.370 nan 0.000 0.507 181 E N 1.600 121.712 120.200 -0.146 0.000 2.273 181 E HA -0.228 4.121 4.350 -0.001 0.000 0.198 181 E C 0.173 176.645 176.600 -0.214 0.000 1.002 181 E CA 1.019 57.339 56.400 -0.133 0.000 0.828 181 E CB -0.018 29.672 29.700 -0.017 0.000 0.747 181 E HN 0.370 nan 8.360 nan 0.000 0.491 182 D N 0.977 121.251 120.400 -0.210 0.000 2.339 182 D HA 0.058 4.698 4.640 -0.001 0.000 0.217 182 D C -0.306 175.844 176.300 -0.250 0.000 1.050 182 D CA 0.149 54.011 54.000 -0.229 0.000 0.856 182 D CB -0.041 40.639 40.800 -0.199 0.000 0.922 182 D HN 0.139 nan 8.370 nan 0.000 0.518 183 D N -0.200 119.991 120.400 -0.348 0.000 2.360 183 D HA 0.054 4.694 4.640 -0.001 0.000 0.242 183 D C 0.017 176.081 176.300 -0.393 0.000 1.184 183 D CA 0.161 53.890 54.000 -0.453 0.000 0.930 183 D CB 0.890 41.288 40.800 -0.671 0.000 1.161 183 D HN -0.236 nan 8.370 nan 0.000 0.447 184 S N 0.033 115.535 115.700 -0.330 0.000 2.420 184 S HA 0.055 4.524 4.470 -0.001 0.000 0.313 184 S C 1.135 175.698 174.600 -0.063 0.000 1.079 184 S CA -0.676 57.423 58.200 -0.168 0.000 1.104 184 S CB 0.494 63.642 63.200 -0.087 0.000 0.969 184 S HN 0.374 nan 8.310 nan 0.000 0.471 185 Q N 4.146 123.787 119.800 -0.265 0.000 2.291 185 Q HA -0.178 4.162 4.340 -0.001 0.000 0.206 185 Q C 0.393 176.273 176.000 -0.199 0.000 0.976 185 Q CA 1.657 57.311 55.803 -0.249 0.000 0.875 185 Q CB -0.626 27.811 28.738 -0.501 0.000 0.927 185 Q HN 0.886 nan 8.270 nan 0.000 0.450 186 Y N 2.213 122.462 120.300 -0.084 0.000 2.651 186 Y HA -0.123 4.427 4.550 -0.002 0.000 0.293 186 Y C 2.466 178.538 175.900 0.287 0.000 1.151 186 Y CA 1.233 59.316 58.100 -0.028 0.000 1.362 186 Y CB -0.138 38.323 38.460 0.001 0.000 0.973 186 Y HN 0.369 nan 8.280 nan 0.000 0.561 187 S N -2.062 113.873 115.700 0.392 0.000 2.558 187 S HA 0.008 4.478 4.470 -0.001 0.000 0.217 187 S C 0.134 174.812 174.600 0.129 0.000 0.975 187 S CA 0.105 58.519 58.200 0.357 0.000 0.912 187 S CB -0.320 62.995 63.200 0.191 0.000 0.776 187 S HN 0.436 nan 8.310 nan 0.000 0.526 188 H N 2.397 121.541 119.070 0.123 0.000 2.336 188 H HA 0.462 5.018 4.556 -0.001 0.000 0.230 188 H C -2.848 172.635 175.328 0.257 0.000 1.426 188 H CA -1.777 54.357 56.048 0.145 0.000 1.359 188 H CB 0.763 30.595 29.762 0.117 0.000 1.555 188 H HN 0.344 nan 8.280 nan 0.000 0.512 189 P HA 0.113 nan 4.420 nan 0.000 0.276 189 P C -0.105 177.073 177.300 -0.202 0.000 1.244 189 P CA -0.343 62.711 63.100 -0.076 0.000 0.801 189 P CB 1.941 33.564 31.700 -0.127 0.000 1.006 190 L N 1.749 122.765 121.223 -0.344 0.000 2.387 190 L HA 0.243 4.582 4.340 -0.001 0.000 0.266 190 L C 1.654 178.319 176.870 -0.341 0.000 1.059 190 L CA -0.438 54.224 54.840 -0.296 0.000 0.801 190 L CB 1.019 42.851 42.059 -0.379 0.000 1.223 190 L HN 0.402 nan 8.230 nan 0.000 0.456 191 D N -0.247 120.069 120.400 -0.139 0.000 2.347 191 D HA -0.054 4.585 4.640 -0.001 0.000 0.213 191 D C 0.148 176.582 176.300 0.224 0.000 0.985 191 D CA 0.288 54.298 54.000 0.017 0.000 0.879 191 D CB -0.074 40.782 40.800 0.093 0.000 0.919 191 D HN 0.223 nan 8.370 nan 0.000 0.526 192 F N -0.687 119.306 119.950 0.073 0.000 2.509 192 F HA 0.620 5.146 4.527 -0.002 0.000 0.334 192 F C -0.568 175.251 175.800 0.032 0.000 1.060 192 F CA -2.193 55.844 58.000 0.061 0.000 0.997 192 F CB 1.158 40.171 39.000 0.022 0.000 1.271 192 F HN -0.126 nan 8.300 nan 0.000 0.488 193 C N 3.713 123.112 119.300 0.165 0.000 2.547 193 C HA 0.605 5.065 4.460 -0.001 0.000 0.327 193 C C -2.842 172.237 174.990 0.149 0.000 1.076 193 C CA -2.039 56.999 59.018 0.032 0.000 1.390 193 C CB 0.182 27.883 27.740 -0.065 0.000 1.918 193 C HN 0.664 nan 8.230 nan 0.000 0.438 194 P HA 0.314 nan 4.420 nan 0.000 0.275 194 P C -0.646 176.704 177.300 0.083 0.000 1.227 194 P CA -0.010 63.183 63.100 0.155 0.000 0.781 194 P CB 0.428 32.227 31.700 0.165 0.000 0.906 195 I N 3.399 124.015 120.570 0.077 0.000 2.354 195 I HA 0.305 4.474 4.170 -0.001 0.000 0.292 195 I C -0.031 176.044 176.117 -0.070 0.000 0.989 195 I CA -0.692 60.591 61.300 -0.028 0.000 1.188 195 I CB 1.354 39.281 38.000 -0.123 0.000 1.342 195 I HN 0.044 nan 8.210 nan 0.000 0.457 196 V N 4.871 124.738 119.914 -0.078 0.000 2.555 196 V HA 0.276 4.395 4.120 -0.001 0.000 0.302 196 V C -0.103 175.932 176.094 -0.099 0.000 1.038 196 V CA -0.773 61.488 62.300 -0.065 0.000 0.887 196 V CB 2.388 34.205 31.823 -0.010 0.000 0.991 196 V HN 0.635 nan 8.190 nan 0.000 0.434 197 D N 3.071 123.411 120.400 -0.100 0.000 2.352 197 D HA 0.137 4.777 4.640 -0.001 0.000 0.245 197 D C 1.215 177.484 176.300 -0.052 0.000 1.224 197 D CA 0.173 54.113 54.000 -0.100 0.000 0.879 197 D CB 1.724 42.468 40.800 -0.094 0.000 1.057 197 D HN 0.610 nan 8.370 nan 0.000 0.491 198 T N 3.299 117.829 114.554 -0.040 0.000 2.607 198 T HA -0.212 4.138 4.350 -0.001 0.000 0.267 198 T C 1.547 176.238 174.700 -0.015 0.000 1.049 198 T CA 1.190 63.281 62.100 -0.014 0.000 1.162 198 T CB -0.049 68.817 68.868 -0.004 0.000 0.863 198 T HN 0.560 nan 8.240 nan 0.000 0.424 199 E N 0.482 120.668 120.200 -0.023 0.000 2.031 199 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 199 E C 2.249 178.837 176.600 -0.020 0.000 0.994 199 E CA 1.036 57.423 56.400 -0.022 0.000 0.800 199 E CB -0.014 29.669 29.700 -0.027 0.000 0.752 199 E HN 0.310 nan 8.360 nan 0.000 0.447 200 E N 0.649 120.835 120.200 -0.024 0.000 2.268 200 E HA -0.085 4.264 4.350 -0.001 0.000 0.195 200 E C 0.119 176.710 176.600 -0.015 0.000 0.995 200 E CA 0.356 56.744 56.400 -0.020 0.000 0.836 200 E CB -0.023 29.663 29.700 -0.024 0.000 0.763 200 E HN 0.207 nan 8.360 nan 0.000 0.491 201 K N 0.578 120.969 120.400 -0.015 0.000 3.619 201 K HA -0.222 4.097 4.320 -0.001 0.000 0.275 201 K C -0.367 176.228 176.600 -0.008 0.000 0.993 201 K CA 0.794 57.077 56.287 -0.008 0.000 0.787 201 K CB -1.530 30.969 32.500 -0.002 0.000 1.431 201 K HN 0.321 nan 8.250 nan 0.000 0.451 202 K N -2.546 117.845 120.400 -0.015 0.000 2.572 202 K HA 0.351 4.670 4.320 -0.001 0.000 0.263 202 K C -0.586 176.002 176.600 -0.020 0.000 0.932 202 K CA -1.127 55.152 56.287 -0.013 0.000 0.838 202 K CB 1.419 33.911 32.500 -0.012 0.000 1.366 202 K HN -0.107 nan 8.250 nan 0.000 0.425 203 V N 4.370 124.278 119.914 -0.009 0.000 2.479 203 V HA 0.047 4.166 4.120 -0.001 0.000 0.281 203 V C 1.318 177.408 176.094 -0.007 0.000 1.031 203 V CA 0.096 62.393 62.300 -0.006 0.000 1.038 203 V CB 0.079 31.908 31.823 0.010 0.000 0.981 203 V HN 0.836 nan 8.190 nan 0.000 0.478 204 I N 1.934 122.491 120.570 -0.021 0.000 3.968 204 I HA 0.513 4.682 4.170 -0.001 0.000 0.328 204 I C 0.142 176.367 176.117 0.181 0.000 1.290 204 I CA 0.468 61.778 61.300 0.017 0.000 1.163 204 I CB 0.388 38.330 38.000 -0.098 0.000 1.024 204 I HN 0.464 nan 8.210 nan 0.000 0.413 205 F N 1.042 120.973 119.950 -0.033 0.000 2.746 205 F HA 0.599 5.125 4.527 -0.001 0.000 0.311 205 F C -1.933 173.907 175.800 0.067 0.000 1.135 205 F CA -0.926 57.114 58.000 0.067 0.000 0.954 205 F CB 1.673 40.792 39.000 0.199 0.000 1.276 205 F HN -0.237 nan 8.300 nan 0.000 0.440 206 I N 3.697 124.110 120.570 -0.263 0.000 2.499 206 I HA 0.293 4.462 4.170 -0.001 0.000 0.288 206 I C -1.364 174.792 176.117 0.065 0.000 1.048 206 I CA -0.811 60.486 61.300 -0.005 0.000 1.062 206 I CB 1.847 39.797 38.000 -0.083 0.000 1.238 206 I HN 0.359 nan 8.210 nan 0.000 0.426 207 D N 7.360 127.948 120.400 0.313 0.000 2.295 207 D HA 0.492 5.131 4.640 -0.001 0.000 0.248 207 D C -0.374 176.076 176.300 0.251 0.000 1.154 207 D CA 0.219 54.441 54.000 0.370 0.000 0.857 207 D CB 1.654 42.666 40.800 0.353 0.000 1.117 207 D HN 0.272 nan 8.370 nan 0.000 0.468 208 I N 4.370 125.057 120.570 0.196 0.000 2.465 208 I HA 0.252 4.421 4.170 -0.001 0.000 0.291 208 I C -1.936 174.273 176.117 0.154 0.000 1.014 208 I CA -1.895 59.502 61.300 0.162 0.000 1.093 208 I CB 2.151 40.185 38.000 0.056 0.000 1.267 208 I HN 0.114 nan 8.210 nan 0.000 0.431 209 P HA 0.180 nan 4.420 nan 0.000 0.274 209 P C -0.209 177.154 177.300 0.104 0.000 1.237 209 P CA -0.343 62.846 63.100 0.149 0.000 0.793 209 P CB 1.024 32.841 31.700 0.194 0.000 0.977 210 N N 0.415 119.166 118.700 0.085 0.000 2.270 210 N HA -0.082 4.658 4.740 -0.001 0.000 0.181 210 N C 0.928 176.473 175.510 0.059 0.000 1.016 210 N CA 0.818 53.902 53.050 0.057 0.000 0.870 210 N CB 0.199 38.712 38.487 0.042 0.000 0.979 210 N HN 0.416 nan 8.380 nan 0.000 0.431 211 R N 1.865 122.413 120.500 0.081 0.000 2.229 211 R HA 0.154 4.494 4.340 -0.001 0.000 0.332 211 R C -0.731 175.621 176.300 0.086 0.000 0.989 211 R CA -0.508 55.637 56.100 0.076 0.000 0.842 211 R CB 0.633 30.984 30.300 0.085 0.000 1.119 211 R HN -0.126 nan 8.270 nan 0.000 0.456 212 R N 3.401 123.939 120.500 0.063 0.000 2.390 212 R HA 0.273 4.612 4.340 -0.001 0.000 0.291 212 R C -0.394 175.934 176.300 0.047 0.000 1.070 212 R CA -0.582 55.556 56.100 0.062 0.000 1.014 212 R CB 0.729 31.053 30.300 0.040 0.000 1.007 212 R HN 0.504 nan 8.270 nan 0.000 0.466 213 R N 1.502 122.028 120.500 0.043 0.000 2.483 213 R HA 0.295 4.635 4.340 -0.001 0.000 0.303 213 R C -0.322 175.977 176.300 -0.002 0.000 0.987 213 R CA -0.424 55.680 56.100 0.007 0.000 0.881 213 R CB 1.759 32.044 30.300 -0.024 0.000 1.177 213 R HN 0.393 nan 8.270 nan 0.000 0.451 214 K N 1.084 121.479 120.400 -0.007 0.000 2.120 214 K HA 0.307 4.626 4.320 -0.001 0.000 0.245 214 K C -0.086 176.495 176.600 -0.033 0.000 1.024 214 K CA -0.803 55.476 56.287 -0.013 0.000 0.906 214 K CB 0.693 33.182 32.500 -0.019 0.000 1.051 214 K HN 0.207 nan 8.250 nan 0.000 0.491 215 V N 0.857 120.744 119.914 -0.045 0.000 2.752 215 V HA -0.095 4.024 4.120 -0.001 0.000 0.306 215 V C 0.717 176.804 176.094 -0.013 0.000 1.099 215 V CA -0.218 62.054 62.300 -0.045 0.000 1.240 215 V CB 0.587 32.320 31.823 -0.149 0.000 0.887 215 V HN 0.795 nan 8.190 nan 0.000 0.499 216 S N 2.795 118.492 115.700 -0.006 0.000 2.560 216 S HA 0.157 4.627 4.470 -0.001 0.000 0.284 216 S C 0.601 175.260 174.600 0.100 0.000 1.327 216 S CA -0.191 57.989 58.200 -0.033 0.000 1.055 216 S CB 0.440 63.472 63.200 -0.280 0.000 0.868 216 S HN 0.798 nan 8.310 nan 0.000 0.506 217 K N 1.882 122.278 120.400 -0.008 0.000 2.397 217 K HA 0.223 4.542 4.320 -0.001 0.000 0.202 217 K C -0.247 176.333 176.600 -0.034 0.000 1.022 217 K CA -0.077 56.203 56.287 -0.011 0.000 1.141 217 K CB 0.112 32.546 32.500 -0.110 0.000 0.857 217 K HN 0.708 nan 8.250 nan 0.000 0.514 218 H N 0.171 119.351 119.070 0.183 0.000 2.509 218 H HA 0.204 4.758 4.556 -0.002 0.000 0.359 218 H C -0.113 175.426 175.328 0.352 0.000 1.253 218 H CA -0.339 55.820 56.048 0.186 0.000 1.373 218 H CB 0.763 30.566 29.762 0.068 0.000 1.555 218 H HN -0.172 nan 8.280 nan 0.000 0.586 219 K N 0.780 121.452 120.400 0.453 0.000 2.319 219 K HA 0.063 4.383 4.320 -0.001 0.000 0.265 219 K C -0.442 176.452 176.600 0.490 0.000 1.000 219 K CA -0.165 56.358 56.287 0.393 0.000 0.943 219 K CB 0.282 32.958 32.500 0.292 0.000 0.950 219 K HN 0.497 nan 8.250 nan 0.000 0.485 220 H N -0.032 119.166 119.070 0.214 0.000 2.690 220 H HA 0.133 4.688 4.556 -0.001 0.000 0.365 220 H C -0.232 175.088 175.328 -0.014 0.000 1.142 220 H CA 0.281 56.412 56.048 0.138 0.000 1.417 220 H CB 0.797 30.489 29.762 -0.117 0.000 1.446 220 H HN 0.663 nan 8.280 nan 0.000 0.599 221 A N 3.951 126.681 122.820 -0.150 0.000 2.621 221 A HA 0.224 4.543 4.320 -0.001 0.000 0.329 221 A C -0.130 177.277 177.584 -0.294 0.000 1.458 221 A CA -0.718 51.088 52.037 -0.385 0.000 1.052 221 A CB -0.509 17.968 19.000 -0.872 0.000 1.142 221 A HN 0.660 nan 8.150 nan 0.000 0.523 222 N N 0.867 119.401 118.700 -0.276 0.000 2.485 222 N HA 0.620 5.359 4.740 -0.001 0.000 0.280 222 N C -0.140 175.267 175.510 -0.170 0.000 1.205 222 N CA -0.273 52.486 53.050 -0.484 0.000 0.959 222 N CB 1.105 38.903 38.487 -1.148 0.000 1.206 222 N HN 0.584 nan 8.380 nan 0.000 0.545 223 F N -2.361 117.562 119.950 -0.044 0.000 2.915 223 F HA 0.435 4.961 4.527 -0.002 0.000 0.347 223 F C -0.293 175.559 175.800 0.087 0.000 1.104 223 F CA -0.813 57.188 58.000 0.002 0.000 1.126 223 F CB -0.493 38.428 39.000 -0.132 0.000 1.145 223 F HN 0.196 nan 8.300 nan 0.000 0.541 224 Y N 2.722 123.191 120.300 0.282 0.000 2.326 224 Y HA 0.321 4.870 4.550 -0.002 0.000 0.333 224 Y C -1.083 174.854 175.900 0.062 0.000 1.240 224 Y CA -1.638 56.558 58.100 0.160 0.000 1.365 224 Y CB 0.320 38.768 38.460 -0.019 0.000 1.289 224 Y HN -0.224 nan 8.280 nan 0.000 0.548 225 P HA -0.293 nan 4.420 nan 0.000 0.218 225 P C 1.080 178.394 177.300 0.024 0.000 1.154 225 P CA 2.707 65.852 63.100 0.074 0.000 0.872 225 P CB 0.121 31.857 31.700 0.060 0.000 0.790 226 K N -1.143 119.220 120.400 -0.062 0.000 2.147 226 K HA -0.195 4.124 4.320 -0.001 0.000 0.205 226 K C 1.716 178.258 176.600 -0.097 0.000 1.049 226 K CA 1.631 57.840 56.287 -0.129 0.000 0.936 226 K CB -1.132 31.221 32.500 -0.245 0.000 0.722 226 K HN 0.273 nan 8.250 nan 0.000 0.446 227 H N 0.194 119.286 119.070 0.037 0.000 2.333 227 H HA 0.060 4.616 4.556 -0.001 0.000 0.302 227 H C 2.257 177.607 175.328 0.036 0.000 1.075 227 H CA 1.478 57.539 56.048 0.022 0.000 1.348 227 H CB 0.052 29.817 29.762 0.005 0.000 1.393 227 H HN 0.051 nan 8.280 nan 0.000 0.509 228 M N 0.266 119.969 119.600 0.173 0.000 2.117 228 M HA -0.133 4.346 4.480 -0.001 0.000 0.262 228 M C 2.394 178.741 176.300 0.078 0.000 1.065 228 M CA 1.309 56.677 55.300 0.114 0.000 1.114 228 M CB -0.789 31.868 32.600 0.096 0.000 1.361 228 M HN 0.295 nan 8.290 nan 0.000 0.408 229 I N -0.029 120.576 120.570 0.058 0.000 2.248 229 I HA -0.308 3.861 4.170 -0.001 0.000 0.248 229 I C 2.511 178.655 176.117 0.045 0.000 1.107 229 I CA 1.328 62.653 61.300 0.040 0.000 1.373 229 I CB -0.234 37.779 38.000 0.022 0.000 1.055 229 I HN 0.399 nan 8.210 nan 0.000 0.418 230 E N 0.259 120.493 120.200 0.057 0.000 2.072 230 E HA -0.237 4.112 4.350 -0.001 0.000 0.190 230 E C 2.122 178.765 176.600 0.071 0.000 0.982 230 E CA 0.935 57.372 56.400 0.062 0.000 0.803 230 E CB 0.088 29.833 29.700 0.075 0.000 0.755 230 E HN 0.330 nan 8.360 nan 0.000 0.453 231 K N 0.617 121.068 120.400 0.085 0.000 1.985 231 K HA -0.093 4.226 4.320 -0.001 0.000 0.210 231 K C 0.985 177.628 176.600 0.071 0.000 1.047 231 K CA 1.263 57.602 56.287 0.086 0.000 0.932 231 K CB 0.085 32.643 32.500 0.095 0.000 0.716 231 K HN 0.015 nan 8.250 nan 0.000 0.439 232 V N -2.701 117.251 119.914 0.064 0.000 2.881 232 V HA 0.497 4.617 4.120 -0.001 0.000 0.316 232 V C 1.232 177.353 176.094 0.045 0.000 1.070 232 V CA -0.398 61.934 62.300 0.052 0.000 0.976 232 V CB 1.135 32.987 31.823 0.048 0.000 1.038 232 V HN 0.350 nan 8.190 nan 0.000 0.446 233 G N 1.747 110.570 108.800 0.037 0.000 2.556 233 G HA2 0.165 4.124 3.960 -0.001 0.000 0.220 233 G HA3 0.165 4.124 3.960 -0.001 0.000 0.220 233 G C 0.570 175.487 174.900 0.029 0.000 1.156 233 G CA 1.698 46.816 45.100 0.032 0.000 0.766 233 G HN 1.850 nan 8.290 nan 0.000 0.583 234 A N -2.348 120.489 122.820 0.029 0.000 2.536 234 A HA 0.679 4.998 4.320 -0.001 0.000 0.293 234 A C -0.632 176.968 177.584 0.026 0.000 1.119 234 A CA -0.645 51.407 52.037 0.025 0.000 0.654 234 A CB 0.520 19.532 19.000 0.020 0.000 1.291 234 A HN 0.025 nan 8.150 nan 0.000 0.439 235 M N 0.675 120.289 119.600 0.023 0.000 2.283 235 M HA 0.398 4.877 4.480 -0.001 0.000 0.314 235 M C 0.555 176.865 176.300 0.017 0.000 1.153 235 M CA -0.087 55.227 55.300 0.022 0.000 1.084 235 M CB 0.475 33.088 32.600 0.021 0.000 1.468 235 M HN 0.738 nan 8.290 nan 0.000 0.474 236 R N 0.897 121.407 120.500 0.015 0.000 2.641 236 R HA 0.309 4.648 4.340 -0.001 0.000 0.269 236 R C -2.053 174.253 176.300 0.010 0.000 1.074 236 R CA -1.304 54.803 56.100 0.012 0.000 1.133 236 R CB -0.337 29.968 30.300 0.009 0.000 1.029 236 R HN 0.373 nan 8.270 nan 0.000 0.488 237 P HA 0.007 nan 4.420 nan 0.000 0.271 237 P C -0.721 176.583 177.300 0.007 0.000 1.216 237 P CA -0.269 62.836 63.100 0.008 0.000 0.776 237 P CB 0.524 32.229 31.700 0.007 0.000 0.881 238 E N 1.421 121.625 120.200 0.007 0.000 2.534 238 E HA 0.229 4.579 4.350 -0.001 0.000 0.264 238 E C -0.308 176.295 176.600 0.005 0.000 0.981 238 E CA 0.127 56.531 56.400 0.006 0.000 0.948 238 E CB 0.181 29.885 29.700 0.006 0.000 0.934 238 E HN 0.509 nan 8.360 nan 0.000 0.459 239 A N 5.098 127.920 122.820 0.003 0.000 2.293 239 A HA 0.530 4.849 4.320 -0.001 0.000 0.302 239 A C -2.178 175.408 177.584 0.003 0.000 1.119 239 A CA -1.514 50.525 52.037 0.003 0.000 0.823 239 A CB 0.146 19.147 19.000 0.001 0.000 1.097 239 A HN 0.613 nan 8.150 nan 0.000 0.491 240 P HA 0.200 nan 4.420 nan 0.000 0.262 240 P C -2.272 175.030 177.300 0.004 0.000 1.182 240 P CA -0.373 62.729 63.100 0.004 0.000 0.761 240 P CB -0.234 31.468 31.700 0.004 0.000 0.795 241 P HA 0.241 nan 4.420 nan 0.000 0.272 241 P C -0.613 176.691 177.300 0.006 0.000 1.230 241 P CA 0.098 63.201 63.100 0.006 0.000 0.788 241 P CB 0.900 32.604 31.700 0.007 0.000 0.949 242 I N 2.254 122.828 120.570 0.007 0.000 2.437 242 I HA 0.212 4.381 4.170 -0.001 0.000 0.279 242 I C -0.064 176.059 176.117 0.011 0.000 1.028 242 I CA -0.638 60.666 61.300 0.008 0.000 1.142 242 I CB 0.874 38.877 38.000 0.006 0.000 1.266 242 I HN 0.158 nan 8.210 nan 0.000 0.461 243 N N 5.966 124.673 118.700 0.012 0.000 2.479 243 N HA 0.383 5.123 4.740 -0.001 0.000 0.285 243 N C -0.598 174.924 175.510 0.020 0.000 1.075 243 N CA -0.397 52.662 53.050 0.015 0.000 0.967 243 N CB 2.768 41.263 38.487 0.014 0.000 1.137 243 N HN 0.152 nan 8.380 nan 0.000 0.472 244 V N 1.325 121.253 119.914 0.024 0.000 2.370 244 V HA 0.462 4.581 4.120 -0.001 0.000 0.283 244 V C 0.452 176.566 176.094 0.034 0.000 1.023 244 V CA -0.559 61.761 62.300 0.032 0.000 0.857 244 V CB 1.221 33.069 31.823 0.040 0.000 0.985 244 V HN 0.829 nan 8.190 nan 0.000 0.443 245 T N 2.691 117.267 114.554 0.036 0.000 2.893 245 T HA 0.567 4.916 4.350 -0.001 0.000 0.293 245 T C -0.780 173.944 174.700 0.040 0.000 1.027 245 T CA -0.657 61.464 62.100 0.034 0.000 0.988 245 T CB 2.066 70.950 68.868 0.025 0.000 1.043 245 T HN 0.583 nan 8.240 nan 0.000 0.461 246 Q N 3.407 123.231 119.800 0.040 0.000 2.907 246 Q HA 0.276 4.615 4.340 -0.001 0.000 0.262 246 Q C -1.625 174.390 176.000 0.025 0.000 0.997 246 Q CA -2.114 53.713 55.803 0.040 0.000 0.797 246 Q CB 1.587 30.358 28.738 0.054 0.000 1.228 246 Q HN 0.615 nan 8.270 nan 0.000 0.466 247 P HA -0.225 nan 4.420 nan 0.000 0.216 247 P C 0.099 177.404 177.300 0.007 0.000 1.154 247 P CA 1.444 64.552 63.100 0.013 0.000 0.865 247 P CB 0.420 32.128 31.700 0.014 0.000 0.789 248 E N -0.478 119.726 120.200 0.008 0.000 2.419 248 E HA 0.371 4.720 4.350 -0.001 0.000 0.190 248 E C 0.929 177.523 176.600 -0.010 0.000 1.040 248 E CA 0.075 56.475 56.400 -0.000 0.000 0.900 248 E CB -0.026 29.675 29.700 0.003 0.000 1.054 248 E HN 0.281 nan 8.360 nan 0.000 0.462 249 G N 0.489 109.282 108.800 -0.012 0.000 2.582 249 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.222 249 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.222 249 G C -0.235 174.641 174.900 -0.040 0.000 1.311 249 G CA -0.578 44.499 45.100 -0.038 0.000 0.915 249 G HN 0.395 nan 8.290 nan 0.000 0.528 250 V N -2.662 117.178 119.914 -0.122 0.000 2.975 250 V HA 0.875 4.994 4.120 -0.001 0.000 0.318 250 V C 1.501 177.531 176.094 -0.107 0.000 1.077 250 V CA 0.813 63.038 62.300 -0.126 0.000 1.000 250 V CB 1.479 33.053 31.823 -0.416 0.000 1.066 250 V HN 2.332 nan 8.190 nan 0.000 0.452 251 S N 1.059 116.811 115.700 0.086 0.000 2.548 251 S HA 0.212 4.682 4.470 -0.001 0.000 0.215 251 S C 0.443 175.197 174.600 0.257 0.000 0.976 251 S CA -0.162 58.126 58.200 0.146 0.000 0.908 251 S CB -0.762 62.558 63.200 0.200 0.000 0.781 251 S HN 0.975 nan 8.310 nan 0.000 0.519 252 F N 1.218 121.329 119.950 0.269 0.000 2.378 252 F HA 0.761 5.288 4.527 -0.001 0.000 0.325 252 F C -0.247 175.601 175.800 0.081 0.000 1.097 252 F CA -1.285 56.862 58.000 0.246 0.000 1.079 252 F CB 0.896 40.007 39.000 0.185 0.000 1.240 252 F HN -0.046 nan 8.300 nan 0.000 0.519 253 K N 4.109 124.657 120.400 0.247 0.000 2.545 253 K HA 0.446 4.765 4.320 -0.001 0.000 0.252 253 K C -1.640 175.008 176.600 0.080 0.000 0.948 253 K CA -0.665 55.674 56.287 0.086 0.000 0.827 253 K CB 1.238 33.760 32.500 0.036 0.000 1.128 253 K HN 0.898 nan 8.250 nan 0.000 0.429 254 M N 3.442 123.076 119.600 0.058 0.000 2.149 254 M HA 0.200 4.679 4.480 -0.001 0.000 0.342 254 M C -0.723 175.578 176.300 0.002 0.000 1.068 254 M CA -0.508 54.774 55.300 -0.030 0.000 0.991 254 M CB 1.873 34.393 32.600 -0.133 0.000 1.596 254 M HN 0.530 nan 8.290 nan 0.000 0.439 255 T N 3.164 117.708 114.554 -0.016 0.000 3.149 255 T HA 0.522 4.871 4.350 -0.001 0.000 0.373 255 T C 0.744 175.459 174.700 0.026 0.000 1.364 255 T CA 0.364 62.478 62.100 0.023 0.000 1.110 255 T CB 0.626 69.515 68.868 0.035 0.000 1.127 255 T HN 1.073 nan 8.240 nan 0.000 0.576 256 G N 4.076 112.898 108.800 0.036 0.000 2.552 256 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.267 256 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.267 256 G C 0.760 175.635 174.900 -0.043 0.000 1.174 256 G CA -0.069 45.052 45.100 0.034 0.000 0.955 256 G HN 0.521 nan 8.290 nan 0.000 0.546 257 N N 0.406 119.031 118.700 -0.124 0.000 2.299 257 N HA 0.197 4.936 4.740 -0.001 0.000 0.187 257 N C 0.605 175.860 175.510 -0.425 0.000 1.099 257 N CA 0.649 53.498 53.050 -0.334 0.000 0.867 257 N CB 0.788 38.918 38.487 -0.594 0.000 0.974 257 N HN 0.374 nan 8.380 nan 0.000 0.477 258 V N 2.648 122.421 119.914 -0.236 0.000 2.455 258 V HA 0.142 4.261 4.120 -0.001 0.000 0.273 258 V C 0.334 176.252 176.094 -0.293 0.000 1.045 258 V CA -0.286 61.889 62.300 -0.208 0.000 0.976 258 V CB 0.928 32.753 31.823 0.003 0.000 0.993 258 V HN 0.132 nan 8.190 nan 0.000 0.475 259 M N 5.515 124.784 119.600 -0.551 0.000 2.472 259 M HA 0.569 5.048 4.480 -0.001 0.000 0.331 259 M C -0.627 175.393 176.300 -0.466 0.000 1.170 259 M CA 0.309 55.241 55.300 -0.613 0.000 1.009 259 M CB 1.624 33.582 32.600 -1.070 0.000 1.672 259 M HN 0.627 nan 8.290 nan 0.000 0.453 260 E N 3.283 123.381 120.200 -0.171 0.000 2.260 260 E HA 0.470 4.819 4.350 -0.001 0.000 0.266 260 E C -2.305 174.416 176.600 0.202 0.000 0.887 260 E CA -0.310 56.089 56.400 -0.001 0.000 0.777 260 E CB 1.846 31.552 29.700 0.009 0.000 1.205 260 E HN 0.790 nan 8.360 nan 0.000 0.414 261 W N 2.236 123.551 121.300 0.024 0.000 3.800 261 W HA 0.168 4.827 4.660 -0.001 0.000 0.299 261 W C -0.466 176.154 176.519 0.168 0.000 1.231 261 W CA -0.282 57.127 57.345 0.106 0.000 1.232 261 W CB 1.316 30.842 29.460 0.109 0.000 1.291 261 W HN 0.458 nan 8.180 nan 0.000 0.514 262 S N 4.895 120.232 115.700 -0.605 0.000 3.549 262 S HA -0.307 4.162 4.470 -0.001 0.000 0.366 262 S C 0.738 175.065 174.600 -0.456 0.000 1.012 262 S CA 1.843 59.640 58.200 -0.671 0.000 1.141 262 S CB -1.308 61.188 63.200 -1.173 0.000 0.910 262 S HN 0.859 nan 8.310 nan 0.000 0.471 263 N N -2.968 115.490 118.700 -0.404 0.000 2.980 263 N HA -0.168 4.572 4.740 -0.001 0.000 0.219 263 N C -0.155 175.049 175.510 -0.510 0.000 0.883 263 N CA 1.540 54.206 53.050 -0.639 0.000 1.018 263 N CB -1.299 36.379 38.487 -1.349 0.000 1.041 263 N HN 0.530 nan 8.380 nan 0.000 0.592 264 F N 1.522 121.410 119.950 -0.103 0.000 2.382 264 F HA 0.469 4.995 4.527 -0.001 0.000 0.331 264 F C 0.951 176.819 175.800 0.114 0.000 1.121 264 F CA 0.290 58.384 58.000 0.158 0.000 1.183 264 F CB 0.929 40.172 39.000 0.405 0.000 1.207 264 F HN -0.193 nan 8.300 nan 0.000 0.555 265 K N 4.000 124.659 120.400 0.431 0.000 2.565 265 K HA 0.503 4.822 4.320 -0.001 0.000 0.251 265 K C -1.919 174.868 176.600 0.312 0.000 0.956 265 K CA -0.433 55.968 56.287 0.189 0.000 0.809 265 K CB 1.697 34.269 32.500 0.119 0.000 1.267 265 K HN 0.552 nan 8.250 nan 0.000 0.438 266 F N -0.277 119.681 119.950 0.014 0.000 2.773 266 F HA 0.416 4.943 4.527 -0.001 0.000 0.314 266 F C -1.522 174.270 175.800 -0.014 0.000 1.160 266 F CA -1.167 56.839 58.000 0.010 0.000 0.920 266 F CB 0.942 39.905 39.000 -0.061 0.000 1.323 266 F HN 0.412 nan 8.300 nan 0.000 0.457 267 H N 2.399 121.513 119.070 0.074 0.000 2.467 267 H HA 0.546 5.101 4.556 -0.001 0.000 0.326 267 H C -1.144 174.174 175.328 -0.016 0.000 1.094 267 H CA -0.634 55.344 56.048 -0.115 0.000 1.253 267 H CB 1.538 31.120 29.762 -0.300 0.000 1.439 267 H HN 0.735 nan 8.280 nan 0.000 0.479 268 I N 5.523 125.873 120.570 -0.367 0.000 2.287 268 I HA 0.219 4.388 4.170 -0.001 0.000 0.290 268 I C 1.015 177.015 176.117 -0.195 0.000 1.069 268 I CA -0.313 60.890 61.300 -0.162 0.000 1.237 268 I CB 0.937 38.843 38.000 -0.155 0.000 1.418 268 I HN 0.537 nan 8.210 nan 0.000 0.481 269 G N 5.197 114.031 108.800 0.056 0.000 2.552 269 G HA2 0.707 4.667 3.960 -0.001 0.000 0.318 269 G HA3 0.707 4.667 3.960 -0.001 0.000 0.318 269 G C -1.493 173.524 174.900 0.194 0.000 1.240 269 G CA -0.328 44.871 45.100 0.164 0.000 1.002 269 G HN 0.393 nan 8.290 nan 0.000 0.493 270 F N 0.427 120.396 119.950 0.032 0.000 2.672 270 F HA 0.463 4.990 4.527 -0.001 0.000 0.311 270 F C -1.254 174.609 175.800 0.105 0.000 1.113 270 F CA -0.886 57.141 58.000 0.046 0.000 0.996 270 F CB 2.133 41.160 39.000 0.044 0.000 1.286 270 F HN 0.818 nan 8.300 nan 0.000 0.441 271 N N 2.068 120.603 118.700 -0.274 0.000 2.708 271 N HA 0.217 4.956 4.740 -0.001 0.000 0.257 271 N C 0.137 175.529 175.510 -0.197 0.000 1.373 271 N CA -0.464 52.596 53.050 0.016 0.000 0.843 271 N CB 0.370 38.876 38.487 0.031 0.000 1.503 271 N HN 0.547 nan 8.380 nan 0.000 0.504 272 Y N -0.608 119.546 120.300 -0.244 0.000 2.181 272 Y HA -0.089 4.460 4.550 -0.001 0.000 0.284 272 Y C 2.127 177.559 175.900 -0.780 0.000 1.179 272 Y CA 1.645 59.200 58.100 -0.909 0.000 1.179 272 Y CB -0.456 37.110 38.460 -1.491 0.000 0.973 272 Y HN 0.636 nan 8.280 nan 0.000 0.519 273 R N 0.345 119.932 120.500 -1.522 0.000 2.041 273 R HA 0.011 4.350 4.340 -0.001 0.000 0.221 273 R C 2.178 178.063 176.300 -0.693 0.000 1.196 273 R CA 1.272 56.648 56.100 -1.206 0.000 0.969 273 R CB -0.085 29.319 30.300 -1.493 0.000 0.858 273 R HN 0.483 nan 8.270 nan 0.000 0.444 274 E N -0.348 119.533 120.200 -0.532 0.000 2.285 274 E HA 0.113 4.463 4.350 -0.001 0.000 0.194 274 E C 0.909 177.297 176.600 -0.353 0.000 0.997 274 E CA 0.401 56.613 56.400 -0.314 0.000 0.845 274 E CB 0.306 29.908 29.700 -0.163 0.000 0.782 274 E HN 0.570 nan 8.360 nan 0.000 0.491 275 G N 1.743 110.167 108.800 -0.626 0.000 2.509 275 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.256 275 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.256 275 G C 0.014 174.403 174.900 -0.852 0.000 1.152 275 G CA -0.258 44.267 45.100 -0.959 0.000 0.951 275 G HN 0.169 nan 8.290 nan 0.000 0.559 276 I N 0.861 121.281 120.570 -0.250 0.000 2.710 276 I HA 0.348 4.517 4.170 -0.001 0.000 0.286 276 I C 0.385 176.354 176.117 -0.247 0.000 1.181 276 I CA 0.177 61.452 61.300 -0.042 0.000 1.430 276 I CB 0.826 38.865 38.000 0.064 0.000 1.367 276 I HN 0.376 nan 8.210 nan 0.000 0.577 277 V N 7.499 127.272 119.914 -0.235 0.000 2.524 277 V HA 0.341 4.460 4.120 -0.001 0.000 0.297 277 V C -0.183 175.746 176.094 -0.274 0.000 1.035 277 V CA -0.559 61.562 62.300 -0.298 0.000 0.867 277 V CB 1.559 33.270 31.823 -0.187 0.000 1.004 277 V HN 0.435 nan 8.190 nan 0.000 0.426 278 L N 3.851 124.816 121.223 -0.430 0.000 2.292 278 L HA 0.716 5.055 4.340 -0.001 0.000 0.284 278 L C 0.258 177.015 176.870 -0.188 0.000 1.065 278 L CA 0.155 54.833 54.840 -0.270 0.000 0.806 278 L CB 1.587 43.383 42.059 -0.439 0.000 1.175 278 L HN 0.622 nan 8.230 nan 0.000 0.431 279 S N 0.477 116.145 115.700 -0.054 0.000 2.632 279 S HA 0.294 4.764 4.470 -0.001 0.000 0.289 279 S C -0.587 174.012 174.600 -0.000 0.000 1.115 279 S CA -0.594 57.515 58.200 -0.152 0.000 0.889 279 S CB 1.774 64.780 63.200 -0.324 0.000 1.116 279 S HN 0.743 nan 8.310 nan 0.000 0.486 280 D N 1.042 121.407 120.400 -0.058 0.000 2.697 280 D HA -0.139 4.501 4.640 -0.001 0.000 0.235 280 D C -0.643 175.802 176.300 0.241 0.000 1.167 280 D CA 0.401 54.498 54.000 0.161 0.000 0.656 280 D CB -1.098 39.870 40.800 0.279 0.000 1.025 280 D HN 0.245 nan 8.370 nan 0.000 0.419 281 V N 1.089 121.136 119.914 0.221 0.000 2.488 281 V HA 0.545 4.664 4.120 -0.001 0.000 0.277 281 V C 0.894 177.132 176.094 0.240 0.000 1.046 281 V CA 0.441 62.908 62.300 0.279 0.000 0.986 281 V CB 1.464 33.428 31.823 0.236 0.000 0.989 281 V HN 0.493 nan 8.190 nan 0.000 0.475 282 S N 4.702 120.596 115.700 0.324 0.000 2.651 282 S HA 0.760 5.229 4.470 -0.001 0.000 0.279 282 S C -1.446 173.362 174.600 0.348 0.000 1.148 282 S CA -0.771 57.591 58.200 0.271 0.000 0.837 282 S CB 2.072 65.398 63.200 0.210 0.000 1.138 282 S HN 0.597 nan 8.310 nan 0.000 0.478 283 Y N 1.644 122.023 120.300 0.130 0.000 2.406 283 Y HA 0.519 5.068 4.550 -0.001 0.000 0.340 283 Y C -0.553 175.389 175.900 0.070 0.000 0.975 283 Y CA -0.793 57.329 58.100 0.037 0.000 1.056 283 Y CB 1.678 40.136 38.460 -0.004 0.000 1.210 283 Y HN 0.855 nan 8.280 nan 0.000 0.448 284 N N 4.839 123.339 118.700 -0.334 0.000 2.508 284 N HA -0.001 4.738 4.740 -0.001 0.000 0.253 284 N C -1.027 174.464 175.510 -0.032 0.000 1.145 284 N CA 0.160 53.126 53.050 -0.140 0.000 0.973 284 N CB 0.113 38.477 38.487 -0.205 0.000 1.305 284 N HN 0.675 nan 8.380 nan 0.000 0.506 285 D N 2.357 122.926 120.400 0.281 0.000 2.498 285 D HA 0.021 4.660 4.640 -0.001 0.000 0.229 285 D C -0.332 176.076 176.300 0.180 0.000 1.188 285 D CA 0.069 54.275 54.000 0.343 0.000 1.028 285 D CB -0.882 40.159 40.800 0.402 0.000 1.087 285 D HN 0.548 nan 8.370 nan 0.000 0.510 286 H N 1.335 120.472 119.070 0.112 0.000 2.604 286 H HA -0.212 4.343 4.556 -0.001 0.000 0.321 286 H C 1.465 176.811 175.328 0.030 0.000 1.132 286 H CA 0.802 56.877 56.048 0.045 0.000 1.129 286 H CB -0.911 28.877 29.762 0.043 0.000 1.526 286 H HN 0.675 nan 8.280 nan 0.000 0.415 287 G N -0.036 108.821 108.800 0.094 0.000 2.279 287 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.223 287 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.223 287 G C 0.215 175.148 174.900 0.054 0.000 1.015 287 G CA 0.056 45.193 45.100 0.061 0.000 0.621 287 G HN 0.718 nan 8.290 nan 0.000 0.506 288 N N 0.667 119.416 118.700 0.080 0.000 2.437 288 N HA 0.444 5.183 4.740 -0.001 0.000 0.243 288 N C -0.120 175.444 175.510 0.091 0.000 1.041 288 N CA -0.362 52.729 53.050 0.069 0.000 0.940 288 N CB 0.892 39.419 38.487 0.067 0.000 1.133 288 N HN 0.054 nan 8.380 nan 0.000 0.506 289 V N 4.728 124.683 119.914 0.068 0.000 2.389 289 V HA 0.237 4.357 4.120 -0.001 0.000 0.264 289 V C 0.338 176.498 176.094 0.110 0.000 1.049 289 V CA -0.207 62.146 62.300 0.088 0.000 0.932 289 V CB 0.263 32.120 31.823 0.058 0.000 1.011 289 V HN 0.620 nan 8.190 nan 0.000 0.475 290 R N 6.011 126.618 120.500 0.178 0.000 2.338 290 R HA 0.476 4.815 4.340 -0.001 0.000 0.317 290 R C -2.732 173.701 176.300 0.221 0.000 0.968 290 R CA -1.827 54.386 56.100 0.188 0.000 0.849 290 R CB 1.679 32.107 30.300 0.213 0.000 1.128 290 R HN 0.406 nan 8.270 nan 0.000 0.448 291 P HA 0.160 nan 4.420 nan 0.000 0.274 291 P C -0.150 177.191 177.300 0.067 0.000 1.231 291 P CA -0.035 63.140 63.100 0.125 0.000 0.790 291 P CB 0.927 32.691 31.700 0.107 0.000 0.951 292 I N -0.711 119.797 120.570 -0.102 0.000 3.669 292 I HA 0.221 4.390 4.170 -0.001 0.000 0.255 292 I C -0.102 175.690 176.117 -0.541 0.000 1.144 292 I CA 0.432 61.410 61.300 -0.536 0.000 1.447 292 I CB 0.226 37.648 38.000 -0.963 0.000 1.622 292 I HN 0.095 nan 8.210 nan 0.000 0.435 293 F N 0.417 120.321 119.950 -0.077 0.000 2.540 293 F HA 0.365 4.892 4.527 -0.001 0.000 0.317 293 F C 1.037 176.839 175.800 0.004 0.000 1.104 293 F CA -1.015 56.942 58.000 -0.070 0.000 0.913 293 F CB 0.828 39.744 39.000 -0.139 0.000 1.170 293 F HN -0.012 nan 8.300 nan 0.000 0.450 294 H N 2.012 121.153 119.070 0.120 0.000 2.448 294 H HA 0.260 4.815 4.556 -0.001 0.000 0.292 294 H C 0.182 175.491 175.328 -0.033 0.000 1.035 294 H CA 0.855 56.917 56.048 0.025 0.000 1.349 294 H CB 0.574 30.307 29.762 -0.048 0.000 1.425 294 H HN 0.581 nan 8.280 nan 0.000 0.539 295 R N 0.375 120.796 120.500 -0.131 0.000 2.634 295 R HA 0.386 4.725 4.340 -0.001 0.000 0.263 295 R C -2.203 173.944 176.300 -0.254 0.000 1.060 295 R CA -0.527 55.421 56.100 -0.253 0.000 0.898 295 R CB 1.859 31.988 30.300 -0.285 0.000 1.253 295 R HN 0.235 nan 8.270 nan 0.000 0.461 296 I N 2.363 122.742 120.570 -0.319 0.000 2.722 296 I HA 0.561 4.730 4.170 -0.001 0.000 0.292 296 I C -1.635 174.239 176.117 -0.405 0.000 1.267 296 I CA -0.069 61.011 61.300 -0.367 0.000 1.036 296 I CB 2.166 39.893 38.000 -0.456 0.000 1.281 296 I HN 0.974 nan 8.210 nan 0.000 0.423 297 S N 6.087 121.672 115.700 -0.192 0.000 2.660 297 S HA 0.497 4.966 4.470 -0.001 0.000 0.264 297 S C -1.795 172.925 174.600 0.199 0.000 1.131 297 S CA -1.077 57.089 58.200 -0.057 0.000 0.846 297 S CB 0.978 64.080 63.200 -0.163 0.000 1.151 297 S HN 0.612 nan 8.310 nan 0.000 0.486 298 L N 2.611 123.989 121.223 0.258 0.000 2.264 298 L HA 0.479 4.818 4.340 -0.001 0.000 0.289 298 L C 1.169 178.085 176.870 0.075 0.000 1.044 298 L CA -0.254 54.702 54.840 0.194 0.000 0.807 298 L CB 1.681 43.883 42.059 0.238 0.000 1.192 298 L HN 1.005 nan 8.230 nan 0.000 0.425 299 S N 0.796 116.523 115.700 0.045 0.000 2.503 299 S HA 0.198 4.668 4.470 -0.001 0.000 0.215 299 S C 0.317 174.925 174.600 0.012 0.000 1.003 299 S CA -0.173 58.081 58.200 0.090 0.000 0.910 299 S CB 0.447 63.753 63.200 0.176 0.000 0.790 299 S HN 0.664 nan 8.310 nan 0.000 0.514 300 E N -0.713 119.378 120.200 -0.181 0.000 2.411 300 E HA 0.643 4.992 4.350 -0.001 0.000 0.279 300 E C -1.769 174.643 176.600 -0.313 0.000 1.132 300 E CA -0.444 55.794 56.400 -0.270 0.000 0.876 300 E CB 0.920 30.369 29.700 -0.419 0.000 1.335 300 E HN 0.290 nan 8.360 nan 0.000 0.436 301 M N 1.202 120.735 119.600 -0.112 0.000 2.755 301 M HA 0.666 5.145 4.480 -0.001 0.000 0.273 301 M C -1.361 175.063 176.300 0.206 0.000 1.278 301 M CA -0.972 54.293 55.300 -0.059 0.000 0.819 301 M CB 2.538 34.973 32.600 -0.276 0.000 1.694 301 M HN 0.559 nan 8.290 nan 0.000 0.460 302 I N 0.509 121.145 120.570 0.111 0.000 2.710 302 I HA 0.442 4.612 4.170 -0.001 0.000 0.290 302 I C -1.738 174.362 176.117 -0.028 0.000 1.318 302 I CA -0.500 60.847 61.300 0.079 0.000 1.045 302 I CB 1.994 40.013 38.000 0.033 0.000 1.307 302 I HN 0.423 nan 8.210 nan 0.000 0.424 303 V N 8.844 128.775 119.914 0.028 0.000 2.271 303 V HA 0.357 4.476 4.120 -0.001 0.000 0.259 303 V C -2.272 173.855 176.094 0.055 0.000 1.030 303 V CA -1.217 61.066 62.300 -0.029 0.000 0.957 303 V CB 0.640 32.485 31.823 0.036 0.000 1.186 303 V HN 0.524 nan 8.190 nan 0.000 0.471 304 P HA 0.184 nan 4.420 nan 0.000 0.276 304 P C -0.892 176.384 177.300 -0.039 0.000 1.243 304 P CA 0.037 63.175 63.100 0.063 0.000 0.768 304 P CB 0.701 32.380 31.700 -0.035 0.000 0.856 305 Y N 1.341 121.687 120.300 0.078 0.000 2.307 305 Y HA 0.424 4.973 4.550 -0.001 0.000 0.324 305 Y C 1.950 177.847 175.900 -0.006 0.000 1.238 305 Y CA 0.444 58.588 58.100 0.073 0.000 1.280 305 Y CB 0.860 39.366 38.460 0.078 0.000 1.248 305 Y HN 0.466 nan 8.280 nan 0.000 0.508 306 G N 0.331 109.182 108.800 0.086 0.000 3.605 306 G HA2 0.060 4.020 3.960 -0.001 0.000 0.277 306 G HA3 0.060 4.020 3.960 -0.001 0.000 0.277 306 G C -0.150 174.674 174.900 -0.127 0.000 1.093 306 G CA -0.159 44.946 45.100 0.007 0.000 0.821 306 G HN 0.436 nan 8.290 nan 0.000 0.532 307 S N 1.215 116.771 115.700 -0.240 0.000 2.475 307 S HA 0.477 4.946 4.470 -0.001 0.000 0.281 307 S C -0.974 173.324 174.600 -0.504 0.000 1.198 307 S CA -1.410 56.481 58.200 -0.516 0.000 1.063 307 S CB 1.860 64.581 63.200 -0.798 0.000 0.972 307 S HN 0.093 nan 8.310 nan 0.000 0.486 308 P HA 0.093 nan 4.420 nan 0.000 0.245 308 P C -0.424 176.737 177.300 -0.232 0.000 1.206 308 P CA 0.146 62.973 63.100 -0.455 0.000 0.781 308 P CB 0.078 31.433 31.700 -0.575 0.000 0.994 309 E N 0.339 120.433 120.200 -0.177 0.000 2.344 309 E HA 0.108 4.457 4.350 -0.001 0.000 0.270 309 E C -0.364 176.199 176.600 -0.062 0.000 1.021 309 E CA -0.746 55.640 56.400 -0.024 0.000 0.887 309 E CB 0.404 30.146 29.700 0.070 0.000 0.997 309 E HN 0.060 nan 8.360 nan 0.000 0.429 310 F N 5.102 124.942 119.950 -0.184 0.000 2.572 310 F HA 0.049 4.575 4.527 -0.001 0.000 0.370 310 F C -1.405 174.118 175.800 -0.460 0.000 1.103 310 F CA -1.598 56.256 58.000 -0.243 0.000 1.286 310 F CB 0.794 39.709 39.000 -0.143 0.000 1.105 310 F HN 0.321 nan 8.300 nan 0.000 0.583 311 P HA 0.127 nan 4.420 nan 0.000 0.254 311 P C -0.187 176.649 177.300 -0.773 0.000 1.620 311 P CA 0.321 62.602 63.100 -1.366 0.000 1.050 311 P CB -0.418 30.581 31.700 -1.169 0.000 1.539 312 H N -0.028 118.785 119.070 -0.427 0.000 2.563 312 H HA -0.046 4.509 4.556 -0.002 0.000 0.272 312 H C 1.438 176.644 175.328 -0.204 0.000 1.005 312 H CA 0.491 56.343 56.048 -0.327 0.000 1.171 312 H CB -0.182 29.384 29.762 -0.327 0.000 1.351 312 H HN 0.251 nan 8.280 nan 0.000 0.602 313 Q N 0.433 120.168 119.800 -0.109 0.000 2.311 313 Q HA 0.006 4.345 4.340 -0.001 0.000 0.203 313 Q C 1.517 177.610 176.000 0.154 0.000 0.954 313 Q CA 0.665 56.467 55.803 -0.002 0.000 0.885 313 Q CB 0.090 28.811 28.738 -0.028 0.000 0.963 313 Q HN 0.337 nan 8.270 nan 0.000 0.471 314 R N 0.893 121.395 120.500 0.003 0.000 2.323 314 R HA 0.091 4.430 4.340 -0.001 0.000 0.198 314 R C -0.059 176.208 176.300 -0.055 0.000 0.988 314 R CA 0.286 56.387 56.100 0.003 0.000 1.041 314 R CB 0.168 30.384 30.300 -0.139 0.000 0.926 314 R HN 0.119 nan 8.270 nan 0.000 0.476 315 K N 1.813 122.236 120.400 0.038 0.000 2.296 315 K HA 0.087 4.406 4.320 -0.001 0.000 0.257 315 K C -0.527 176.301 176.600 0.381 0.000 1.088 315 K CA -0.105 56.223 56.287 0.068 0.000 0.980 315 K CB 0.512 32.870 32.500 -0.236 0.000 1.430 315 K HN 0.301 nan 8.250 nan 0.000 0.441 316 H N 0.182 119.452 119.070 0.333 0.000 3.061 316 H HA 0.192 4.747 4.556 -0.002 0.000 0.210 316 H C -0.817 174.640 175.328 0.216 0.000 1.326 316 H CA -0.699 55.498 56.048 0.249 0.000 1.380 316 H CB -0.552 29.277 29.762 0.111 0.000 2.147 316 H HN 0.342 nan 8.280 nan 0.000 0.562 317 A N 1.974 124.934 122.820 0.233 0.000 2.511 317 A HA 0.341 4.660 4.320 -0.001 0.000 0.242 317 A C 0.179 177.819 177.584 0.093 0.000 1.069 317 A CA -0.216 51.894 52.037 0.122 0.000 0.763 317 A CB 0.184 19.240 19.000 0.094 0.000 1.001 317 A HN 0.503 nan 8.150 nan 0.000 0.498 318 L N 3.412 124.657 121.223 0.036 0.000 2.504 318 L HA 0.211 4.551 4.340 -0.001 0.000 0.249 318 L C 0.759 177.602 176.870 -0.046 0.000 1.120 318 L CA -0.069 54.797 54.840 0.044 0.000 0.997 318 L CB 0.646 42.761 42.059 0.094 0.000 1.349 318 L HN 0.797 nan 8.230 nan 0.000 0.439 319 D N 1.212 121.612 120.400 -0.001 0.000 2.133 319 D HA -0.252 4.387 4.640 -0.001 0.000 0.192 319 D C 1.999 178.243 176.300 -0.093 0.000 1.001 319 D CA 1.743 55.778 54.000 0.058 0.000 0.844 319 D CB 0.342 41.198 40.800 0.093 0.000 0.944 319 D HN 0.501 nan 8.370 nan 0.000 0.447 320 I N 0.906 121.373 120.570 -0.172 0.000 2.226 320 I HA -0.160 4.010 4.170 -0.001 0.000 0.245 320 I C 2.556 178.486 176.117 -0.312 0.000 1.100 320 I CA 1.403 62.538 61.300 -0.274 0.000 1.374 320 I CB -0.255 37.605 38.000 -0.233 0.000 1.057 320 I HN 0.011 nan 8.210 nan 0.000 0.413 321 G N -0.511 108.142 108.800 -0.245 0.000 2.683 321 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.213 321 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.213 321 G C 1.363 176.133 174.900 -0.216 0.000 1.142 321 G CA 0.027 44.968 45.100 -0.264 0.000 0.793 321 G HN 0.375 nan 8.290 nan 0.000 0.534 322 E N -1.264 118.769 120.200 -0.278 0.000 2.447 322 E HA 0.157 4.506 4.350 -0.001 0.000 0.204 322 E C 0.641 176.878 176.600 -0.605 0.000 0.977 322 E CA 0.224 56.348 56.400 -0.460 0.000 0.950 322 E CB 0.437 29.739 29.700 -0.662 0.000 0.975 322 E HN 0.571 nan 8.360 nan 0.000 0.496 323 Y N -0.383 119.880 120.300 -0.061 0.000 2.619 323 Y HA 0.330 4.879 4.550 -0.002 0.000 0.273 323 Y C 0.758 176.644 175.900 -0.024 0.000 1.175 323 Y CA 0.190 58.276 58.100 -0.023 0.000 1.157 323 Y CB 1.175 39.595 38.460 -0.066 0.000 1.329 323 Y HN -0.029 nan 8.280 nan 0.000 0.503 324 G N 0.839 109.596 108.800 -0.072 0.000 3.338 324 G HA2 0.164 4.124 3.960 -0.001 0.000 0.686 324 G HA3 0.164 4.124 3.960 -0.001 0.000 0.686 324 G C 0.524 175.166 174.900 -0.430 0.000 1.053 324 G CA -0.299 44.617 45.100 -0.307 0.000 0.852 324 G HN 0.644 nan 8.290 nan 0.000 0.545 325 A N 1.220 123.673 122.820 -0.611 0.000 2.119 325 A HA 0.398 4.717 4.320 -0.001 0.000 0.217 325 A C 2.505 179.876 177.584 -0.355 0.000 1.153 325 A CA 2.321 53.882 52.037 -0.793 0.000 0.692 325 A CB -0.277 18.364 19.000 -0.598 0.000 0.799 325 A HN 2.123 nan 8.150 nan 0.000 0.458 326 G N -1.579 107.019 108.800 -0.336 0.000 2.417 326 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.212 326 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.212 326 G C 1.376 176.382 174.900 0.176 0.000 1.187 326 G CA 0.711 45.807 45.100 -0.007 0.000 0.804 326 G HN 0.386 nan 8.290 nan 0.000 0.534 327 Y N 0.820 120.953 120.300 -0.279 0.000 2.256 327 Y HA 0.021 4.570 4.550 -0.001 0.000 0.288 327 Y C 2.791 178.704 175.900 0.021 0.000 1.155 327 Y CA 0.656 58.614 58.100 -0.238 0.000 1.203 327 Y CB -0.308 38.031 38.460 -0.202 0.000 0.980 327 Y HN 0.154 nan 8.280 nan 0.000 0.530 328 M N -1.381 118.319 119.600 0.166 0.000 2.495 328 M HA 0.030 4.509 4.480 -0.001 0.000 0.237 328 M C 0.817 177.295 176.300 0.296 0.000 1.131 328 M CA 0.145 55.553 55.300 0.180 0.000 1.032 328 M CB 0.026 32.697 32.600 0.117 0.000 1.513 328 M HN -0.160 nan 8.290 nan 0.000 0.488 329 T N 2.301 117.061 114.554 0.343 0.000 2.940 329 T HA 0.064 4.413 4.350 -0.001 0.000 0.309 329 T C 0.130 175.006 174.700 0.294 0.000 1.056 329 T CA 0.038 62.377 62.100 0.398 0.000 1.137 329 T CB 0.238 69.406 68.868 0.500 0.000 0.976 329 T HN 0.224 nan 8.240 nan 0.000 0.547 330 N N 5.252 124.097 118.700 0.243 0.000 2.479 330 N HA 0.345 5.084 4.740 -0.001 0.000 0.285 330 N C -2.679 172.901 175.510 0.117 0.000 1.075 330 N CA -1.893 51.254 53.050 0.161 0.000 0.967 330 N CB 1.036 39.599 38.487 0.128 0.000 1.137 330 N HN 0.356 nan 8.380 nan 0.000 0.472 331 P HA 0.102 nan 4.420 nan 0.000 0.271 331 P C 0.612 177.923 177.300 0.017 0.000 1.233 331 P CA -0.371 62.740 63.100 0.018 0.000 0.764 331 P CB 0.629 32.325 31.700 -0.008 0.000 0.825 332 L N 2.404 123.647 121.223 0.034 0.000 2.156 332 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 332 L C 2.319 179.212 176.870 0.039 0.000 1.095 332 L CA 1.487 56.382 54.840 0.091 0.000 0.770 332 L CB -1.889 40.322 42.059 0.252 0.000 0.914 332 L HN 0.346 nan 8.230 nan 0.000 0.439 333 S N -0.120 115.478 115.700 -0.170 0.000 2.456 333 S HA -0.257 4.212 4.470 -0.001 0.000 0.232 333 S C 2.070 176.637 174.600 -0.056 0.000 1.046 333 S CA 1.736 59.804 58.200 -0.219 0.000 1.175 333 S CB -0.473 62.502 63.200 -0.374 0.000 1.129 333 S HN 0.336 nan 8.310 nan 0.000 0.420 334 L N 0.607 121.797 121.223 -0.055 0.000 2.011 334 L HA -0.236 4.103 4.340 -0.001 0.000 0.225 334 L C 2.565 179.442 176.870 0.011 0.000 1.084 334 L CA 2.080 56.911 54.840 -0.016 0.000 0.791 334 L CB -1.358 40.696 42.059 -0.008 0.000 0.898 334 L HN 0.628 nan 8.230 nan 0.000 0.440 335 G N -2.267 106.547 108.800 0.023 0.000 2.501 335 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.220 335 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.220 335 G C 0.969 175.887 174.900 0.030 0.000 1.114 335 G CA 0.684 45.803 45.100 0.030 0.000 0.757 335 G HN 0.711 nan 8.290 nan 0.000 0.559 336 C N -0.436 118.886 119.300 0.037 0.000 4.584 336 C HA -0.155 4.304 4.460 -0.001 0.000 0.288 336 C C 1.501 176.515 174.990 0.040 0.000 1.284 336 C CA -0.023 59.017 59.018 0.036 0.000 2.038 336 C CB -2.398 25.356 27.740 0.023 0.000 1.246 336 C HN 0.639 nan 8.230 nan 0.000 0.765 337 D N 0.325 120.761 120.400 0.059 0.000 2.084 337 D HA -0.034 4.605 4.640 -0.001 0.000 0.194 337 D C 0.890 177.232 176.300 0.070 0.000 0.990 337 D CA 1.683 55.727 54.000 0.073 0.000 0.826 337 D CB -0.000 40.855 40.800 0.093 0.000 0.971 337 D HN 0.694 nan 8.370 nan 0.000 0.453 338 C N 1.668 120.998 119.300 0.049 0.000 2.239 338 C HA 0.448 4.907 4.460 -0.001 0.000 0.325 338 C C 0.221 175.124 174.990 -0.145 0.000 1.231 338 C CA -1.621 57.347 59.018 -0.083 0.000 1.652 338 C CB -0.390 27.258 27.740 -0.153 0.000 2.284 338 C HN 0.109 nan 8.230 nan 0.000 0.499 339 K N 2.638 122.947 120.400 -0.151 0.000 2.234 339 K HA 0.598 4.917 4.320 -0.001 0.000 0.282 339 K C 0.698 177.222 176.600 -0.127 0.000 1.039 339 K CA 0.900 57.133 56.287 -0.091 0.000 0.928 339 K CB 0.495 32.982 32.500 -0.022 0.000 1.039 339 K HN 1.139 nan 8.250 nan 0.000 0.470 340 G N 1.040 109.805 108.800 -0.058 0.000 2.396 340 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.254 340 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.254 340 G C -1.188 173.710 174.900 -0.004 0.000 1.248 340 G CA -0.582 44.512 45.100 -0.010 0.000 1.033 340 G HN 0.451 nan 8.290 nan 0.000 0.502 341 V N 2.310 122.255 119.914 0.051 0.000 2.352 341 V HA 0.329 4.449 4.120 -0.001 0.000 0.253 341 V C 0.726 176.875 176.094 0.093 0.000 1.083 341 V CA -0.251 62.090 62.300 0.068 0.000 0.993 341 V CB -0.112 31.760 31.823 0.082 0.000 1.111 341 V HN 0.536 nan 8.190 nan 0.000 0.490 342 I N 3.846 124.418 120.570 0.004 0.000 2.566 342 I HA 0.456 4.625 4.170 -0.001 0.000 0.303 342 I C 0.079 176.157 176.117 -0.066 0.000 0.983 342 I CA -0.349 60.881 61.300 -0.117 0.000 1.235 342 I CB 1.244 38.981 38.000 -0.438 0.000 1.386 342 I HN 0.515 nan 8.210 nan 0.000 0.494 343 H N 5.162 124.108 119.070 -0.208 0.000 2.906 343 H HA 0.408 4.963 4.556 -0.001 0.000 0.324 343 H C -1.552 173.634 175.328 -0.236 0.000 0.973 343 H CA -0.395 55.611 56.048 -0.069 0.000 1.321 343 H CB 0.837 30.703 29.762 0.173 0.000 1.535 343 H HN 0.368 nan 8.280 nan 0.000 0.518 344 Y N 3.476 123.863 120.300 0.144 0.000 2.458 344 Y HA 0.468 5.017 4.550 -0.001 0.000 0.322 344 Y C 0.262 176.224 175.900 0.102 0.000 1.259 344 Y CA -0.628 57.531 58.100 0.098 0.000 1.302 344 Y CB 1.447 39.907 38.460 -0.000 0.000 1.314 344 Y HN 0.398 nan 8.280 nan 0.000 0.509 345 L N 1.066 122.401 121.223 0.187 0.000 2.409 345 L HA 0.420 4.760 4.340 -0.001 0.000 0.262 345 L C -1.383 175.425 176.870 -0.104 0.000 0.992 345 L CA -1.018 53.839 54.840 0.028 0.000 0.817 345 L CB 2.345 44.381 42.059 -0.037 0.000 1.350 345 L HN 0.572 nan 8.230 nan 0.000 0.411 346 D N 0.884 121.168 120.400 -0.193 0.000 2.326 346 D HA 0.724 5.363 4.640 -0.001 0.000 0.248 346 D C -0.544 175.387 176.300 -0.615 0.000 1.001 346 D CA -0.170 53.622 54.000 -0.348 0.000 0.961 346 D CB 2.257 42.885 40.800 -0.287 0.000 1.183 346 D HN 0.571 nan 8.370 nan 0.000 0.502 347 A N 0.977 123.350 122.820 -0.745 0.000 2.365 347 A HA 0.615 4.934 4.320 -0.001 0.000 0.318 347 A C -1.142 175.797 177.584 -1.076 0.000 1.091 347 A CA -0.676 50.847 52.037 -0.857 0.000 0.763 347 A CB 1.047 19.604 19.000 -0.738 0.000 1.248 347 A HN 0.549 nan 8.150 nan 0.000 0.442 348 H N 1.583 120.346 119.070 -0.511 0.000 2.609 348 H HA 0.650 5.205 4.556 -0.001 0.000 0.344 348 H C -1.279 173.882 175.328 -0.277 0.000 1.040 348 H CA -0.276 55.539 56.048 -0.388 0.000 1.216 348 H CB 1.150 30.838 29.762 -0.122 0.000 1.529 348 H HN 0.532 nan 8.280 nan 0.000 0.519 349 F N 0.009 120.129 119.950 0.283 0.000 2.835 349 F HA 0.518 5.044 4.527 -0.001 0.000 0.373 349 F C 0.745 176.653 175.800 0.180 0.000 1.209 349 F CA -1.183 56.981 58.000 0.274 0.000 1.082 349 F CB 0.679 39.933 39.000 0.423 0.000 1.472 349 F HN 0.333 nan 8.300 nan 0.000 0.519 350 S N -0.321 115.613 115.700 0.391 0.000 2.536 350 S HA 0.587 5.056 4.470 -0.001 0.000 0.298 350 S C -1.438 173.261 174.600 0.165 0.000 1.083 350 S CA -0.752 57.554 58.200 0.177 0.000 0.995 350 S CB 0.890 64.130 63.200 0.068 0.000 1.058 350 S HN 0.588 nan 8.310 nan 0.000 0.488 351 D N 2.123 122.582 120.400 0.098 0.000 2.478 351 D HA 0.337 4.977 4.640 -0.001 0.000 0.263 351 D C 1.155 177.517 176.300 0.103 0.000 1.153 351 D CA -0.762 53.286 54.000 0.080 0.000 1.038 351 D CB 0.306 41.144 40.800 0.063 0.000 1.120 351 D HN 0.524 nan 8.370 nan 0.000 0.564 352 R N -0.630 119.924 120.500 0.090 0.000 2.154 352 R HA -0.175 4.165 4.340 -0.001 0.000 0.248 352 R C 1.715 178.139 176.300 0.206 0.000 1.155 352 R CA 1.664 57.841 56.100 0.128 0.000 0.979 352 R CB -0.497 29.844 30.300 0.068 0.000 0.869 352 R HN 0.609 nan 8.270 nan 0.000 0.452 353 A N -0.973 121.935 122.820 0.147 0.000 2.208 353 A HA 0.169 4.489 4.320 -0.001 0.000 0.209 353 A C 1.325 178.983 177.584 0.123 0.000 1.161 353 A CA 0.948 53.076 52.037 0.153 0.000 0.782 353 A CB 0.112 19.160 19.000 0.079 0.000 0.816 353 A HN 0.517 nan 8.150 nan 0.000 0.477 354 G N -0.734 108.061 108.800 -0.010 0.000 2.157 354 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.239 354 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.239 354 G C -0.484 174.271 174.900 -0.241 0.000 0.982 354 G CA 0.116 44.953 45.100 -0.438 0.000 0.650 354 G HN 0.455 nan 8.290 nan 0.000 0.527 355 D N 1.517 121.864 120.400 -0.089 0.000 2.210 355 D HA 0.478 5.118 4.640 -0.001 0.000 0.249 355 D C -2.269 174.021 176.300 -0.016 0.000 1.078 355 D CA -1.302 52.669 54.000 -0.049 0.000 0.875 355 D CB 1.517 42.310 40.800 -0.013 0.000 1.175 355 D HN 0.060 nan 8.370 nan 0.000 0.440 356 P HA 0.106 nan 4.420 nan 0.000 0.267 356 P C -0.385 176.948 177.300 0.054 0.000 1.200 356 P CA 0.083 63.195 63.100 0.019 0.000 0.772 356 P CB 0.455 32.138 31.700 -0.030 0.000 0.855 357 I N -1.429 119.207 120.570 0.110 0.000 2.689 357 I HA 0.631 4.800 4.170 -0.001 0.000 0.299 357 I C -0.695 175.473 176.117 0.086 0.000 1.059 357 I CA -0.704 60.664 61.300 0.114 0.000 1.055 357 I CB 2.513 40.616 38.000 0.172 0.000 1.243 357 I HN 0.066 nan 8.210 nan 0.000 0.425 358 T N 3.997 118.588 114.554 0.063 0.000 2.863 358 T HA 0.479 4.828 4.350 -0.001 0.000 0.285 358 T C -0.791 173.878 174.700 -0.052 0.000 1.009 358 T CA -0.616 61.489 62.100 0.009 0.000 0.989 358 T CB 2.408 71.343 68.868 0.110 0.000 1.004 358 T HN 0.586 nan 8.240 nan 0.000 0.455 359 V N 4.287 124.101 119.914 -0.167 0.000 2.376 359 V HA 0.487 4.606 4.120 -0.001 0.000 0.287 359 V C -0.472 175.531 176.094 -0.152 0.000 1.015 359 V CA -0.840 61.410 62.300 -0.085 0.000 0.834 359 V CB 0.770 32.603 31.823 0.017 0.000 1.001 359 V HN 0.738 nan 8.190 nan 0.000 0.428 360 K N 4.744 125.082 120.400 -0.103 0.000 2.326 360 K HA 0.303 4.622 4.320 -0.001 0.000 0.275 360 K C 0.390 176.910 176.600 -0.132 0.000 1.018 360 K CA 0.181 56.394 56.287 -0.123 0.000 0.962 360 K CB 0.226 32.665 32.500 -0.103 0.000 0.953 360 K HN 0.916 nan 8.250 nan 0.000 0.475 361 N N 0.522 119.141 118.700 -0.134 0.000 2.696 361 N HA -0.254 4.485 4.740 -0.001 0.000 0.256 361 N C 0.287 175.794 175.510 -0.006 0.000 1.031 361 N CA 0.255 53.261 53.050 -0.072 0.000 0.730 361 N CB -0.719 37.529 38.487 -0.399 0.000 0.894 361 N HN 0.762 nan 8.380 nan 0.000 0.544 362 A N -0.519 122.240 122.820 -0.101 0.000 1.975 362 A HA 0.229 4.548 4.320 -0.001 0.000 0.215 362 A C 0.856 178.398 177.584 -0.071 0.000 1.170 362 A CA 0.948 52.900 52.037 -0.142 0.000 0.656 362 A CB 0.726 19.455 19.000 -0.453 0.000 0.821 362 A HN 0.197 nan 8.150 nan 0.000 0.449 363 V N -0.431 119.445 119.914 -0.063 0.000 2.680 363 V HA 0.447 4.566 4.120 -0.001 0.000 0.309 363 V C -0.425 175.734 176.094 0.108 0.000 1.052 363 V CA -0.740 61.582 62.300 0.037 0.000 0.908 363 V CB 1.239 33.052 31.823 -0.017 0.000 1.001 363 V HN 0.529 nan 8.190 nan 0.000 0.431 364 C N 5.805 125.153 119.300 0.081 0.000 2.396 364 C HA 0.840 5.299 4.460 -0.001 0.000 0.321 364 C C -0.706 174.278 174.990 -0.011 0.000 1.233 364 C CA -0.591 58.390 59.018 -0.060 0.000 1.440 364 C CB -0.308 27.403 27.740 -0.048 0.000 2.110 364 C HN 0.788 nan 8.230 nan 0.000 0.473 365 I N 6.962 127.483 120.570 -0.081 0.000 2.441 365 I HA 0.679 4.848 4.170 -0.001 0.000 0.295 365 I C -0.058 176.038 176.117 -0.035 0.000 0.994 365 I CA 0.003 61.225 61.300 -0.130 0.000 1.144 365 I CB 1.662 39.468 38.000 -0.324 0.000 1.314 365 I HN 0.973 nan 8.210 nan 0.000 0.445 366 H N 3.944 122.812 119.070 -0.336 0.000 2.951 366 H HA 0.355 4.910 4.556 -0.001 0.000 0.292 366 H C -2.102 173.111 175.328 -0.192 0.000 1.412 366 H CA -1.134 54.816 56.048 -0.164 0.000 1.206 366 H CB 1.050 30.803 29.762 -0.015 0.000 1.862 366 H HN 0.646 nan 8.280 nan 0.000 0.502 367 E N 1.384 121.569 120.200 -0.024 0.000 2.212 367 E HA 0.578 4.927 4.350 -0.001 0.000 0.268 367 E C -0.996 175.627 176.600 0.038 0.000 0.902 367 E CA -0.905 55.439 56.400 -0.093 0.000 0.779 367 E CB 2.786 32.566 29.700 0.134 0.000 1.172 367 E HN 0.685 nan 8.360 nan 0.000 0.409 368 E N 1.817 122.007 120.200 -0.017 0.000 2.378 368 E HA 0.316 4.666 4.350 -0.001 0.000 0.265 368 E C -0.987 175.651 176.600 0.062 0.000 0.932 368 E CA -1.100 55.329 56.400 0.047 0.000 0.795 368 E CB 1.258 30.968 29.700 0.018 0.000 1.296 368 E HN 0.411 nan 8.360 nan 0.000 0.438 369 D N 0.620 121.054 120.400 0.057 0.000 2.345 369 D HA 0.092 4.732 4.640 -0.001 0.000 0.247 369 D C -0.709 175.608 176.300 0.028 0.000 1.108 369 D CA 0.376 54.406 54.000 0.050 0.000 0.894 369 D CB 1.081 41.903 40.800 0.037 0.000 1.203 369 D HN 0.369 nan 8.370 nan 0.000 0.430 370 D N 0.968 121.386 120.400 0.030 0.000 2.819 370 D HA 0.302 4.942 4.640 -0.001 0.000 0.326 370 D C 0.723 177.025 176.300 0.004 0.000 1.408 370 D CA 0.014 54.022 54.000 0.013 0.000 0.811 370 D CB -0.057 40.761 40.800 0.029 0.000 1.148 370 D HN 0.644 nan 8.370 nan 0.000 0.457 371 G N 0.391 109.190 108.800 -0.002 0.000 2.552 371 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.265 371 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.265 371 G C -0.218 174.666 174.900 -0.026 0.000 1.234 371 G CA -0.089 45.004 45.100 -0.012 0.000 0.944 371 G HN 0.312 nan 8.290 nan 0.000 0.568 372 L N 0.413 121.617 121.223 -0.031 0.000 2.371 372 L HA 0.435 4.774 4.340 -0.001 0.000 0.272 372 L C 1.624 178.446 176.870 -0.080 0.000 1.124 372 L CA -0.663 54.141 54.840 -0.059 0.000 0.816 372 L CB 1.255 43.295 42.059 -0.031 0.000 1.129 372 L HN 0.555 nan 8.230 nan 0.000 0.448 373 L N 3.525 124.623 121.223 -0.208 0.000 2.316 373 L HA 0.299 4.638 4.340 -0.001 0.000 0.207 373 L C -0.277 176.505 176.870 -0.147 0.000 1.070 373 L CA 1.077 55.758 54.840 -0.264 0.000 0.820 373 L CB 0.292 42.022 42.059 -0.547 0.000 0.992 373 L HN 0.586 nan 8.230 nan 0.000 0.466 374 F N -2.450 117.520 119.950 0.032 0.000 2.793 374 F HA 0.523 5.049 4.527 -0.001 0.000 0.316 374 F C -0.844 174.983 175.800 0.045 0.000 1.147 374 F CA -1.746 56.274 58.000 0.033 0.000 0.930 374 F CB 0.346 39.362 39.000 0.027 0.000 1.277 374 F HN -0.122 nan 8.300 nan 0.000 0.443 375 K N 0.913 121.523 120.400 0.349 0.000 2.587 375 K HA 0.666 4.986 4.320 -0.001 0.000 0.276 375 K C -2.606 174.145 176.600 0.252 0.000 0.956 375 K CA -0.846 55.591 56.287 0.251 0.000 0.857 375 K CB 2.403 34.976 32.500 0.120 0.000 1.431 375 K HN 1.155 nan 8.250 nan 0.000 0.420 376 H N 0.188 119.322 119.070 0.106 0.000 3.129 376 H HA 0.458 5.013 4.556 -0.001 0.000 0.342 376 H C -1.998 173.386 175.328 0.092 0.000 1.092 376 H CA -0.245 55.850 56.048 0.077 0.000 1.310 376 H CB 1.974 31.777 29.762 0.070 0.000 1.932 376 H HN 0.592 nan 8.280 nan 0.000 0.507 377 S N 3.402 118.758 115.700 -0.572 0.000 2.542 377 S HA 0.245 4.714 4.470 -0.001 0.000 0.293 377 S C -1.154 173.286 174.600 -0.266 0.000 1.089 377 S CA -0.941 57.100 58.200 -0.265 0.000 0.961 377 S CB 1.705 64.881 63.200 -0.040 0.000 1.062 377 S HN 0.672 nan 8.310 nan 0.000 0.483 378 D N 1.317 121.702 120.400 -0.024 0.000 2.249 378 D HA 0.228 4.867 4.640 -0.001 0.000 0.246 378 D C 0.704 177.032 176.300 0.046 0.000 1.114 378 D CA -0.815 53.183 54.000 -0.004 0.000 0.854 378 D CB 0.638 41.394 40.800 -0.073 0.000 1.132 378 D HN 0.462 nan 8.370 nan 0.000 0.461 379 F N 3.233 123.221 119.950 0.064 0.000 2.502 379 F HA 0.154 4.680 4.527 -0.001 0.000 0.298 379 F C 1.832 177.497 175.800 -0.225 0.000 1.111 379 F CA 0.099 57.986 58.000 -0.189 0.000 1.445 379 F CB -0.237 38.746 39.000 -0.029 0.000 1.081 379 F HN 0.201 nan 8.300 nan 0.000 0.558 380 R N 1.012 120.996 120.500 -0.860 0.000 2.096 380 R HA -0.135 4.204 4.340 -0.001 0.000 0.235 380 R C 0.508 176.637 176.300 -0.284 0.000 1.127 380 R CA 1.639 57.377 56.100 -0.603 0.000 0.968 380 R CB -0.668 29.281 30.300 -0.584 0.000 0.861 380 R HN 0.499 nan 8.270 nan 0.000 0.440 381 D N -1.297 118.964 120.400 -0.232 0.000 2.755 381 D HA 0.003 4.642 4.640 -0.001 0.000 0.257 381 D C -0.564 175.640 176.300 -0.160 0.000 1.291 381 D CA -0.440 53.472 54.000 -0.147 0.000 0.836 381 D CB -0.817 39.930 40.800 -0.090 0.000 1.059 381 D HN 0.126 nan 8.370 nan 0.000 0.486 382 N N 1.087 119.615 118.700 -0.286 0.000 2.727 382 N HA -0.293 4.446 4.740 -0.001 0.000 0.249 382 N C -0.644 174.639 175.510 -0.378 0.000 1.048 382 N CA 0.331 53.105 53.050 -0.459 0.000 0.714 382 N CB -0.807 37.537 38.487 -0.239 0.000 0.959 382 N HN 0.230 nan 8.380 nan 0.000 0.544 383 F N -4.627 115.323 119.950 -0.000 0.000 2.794 383 F HA -0.336 4.190 4.527 -0.001 0.000 0.335 383 F C 1.750 177.552 175.800 0.004 0.000 0.653 383 F CA 0.815 58.809 58.000 -0.011 0.000 1.266 383 F CB -2.202 36.795 39.000 -0.006 0.000 1.666 383 F HN 0.312 nan 8.300 nan 0.000 0.314 384 A N -0.919 121.972 122.820 0.117 0.000 1.902 384 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 384 A C 1.495 179.159 177.584 0.133 0.000 1.181 384 A CA 2.040 54.142 52.037 0.108 0.000 0.623 384 A CB -0.613 18.416 19.000 0.049 0.000 0.818 384 A HN 0.361 nan 8.150 nan 0.000 0.443 385 T N 1.048 115.654 114.554 0.087 0.000 2.751 385 T HA 0.430 4.779 4.350 -0.001 0.000 0.290 385 T C -0.199 174.566 174.700 0.109 0.000 0.919 385 T CA 0.780 62.925 62.100 0.075 0.000 1.136 385 T CB 0.035 68.918 68.868 0.025 0.000 0.875 385 T HN 0.411 nan 8.240 nan 0.000 0.532 386 S N 3.548 119.336 115.700 0.148 0.000 2.552 386 S HA 0.710 5.180 4.470 -0.001 0.000 0.272 386 S C -1.980 172.736 174.600 0.194 0.000 1.150 386 S CA -0.909 57.393 58.200 0.170 0.000 0.849 386 S CB 1.174 64.501 63.200 0.212 0.000 1.113 386 S HN 0.651 nan 8.310 nan 0.000 0.458 387 L N 3.546 124.882 121.223 0.189 0.000 2.470 387 L HA 0.863 5.202 4.340 -0.001 0.000 0.268 387 L C -1.861 175.141 176.870 0.220 0.000 0.964 387 L CA -0.450 54.504 54.840 0.189 0.000 0.839 387 L CB 1.825 43.983 42.059 0.166 0.000 1.276 387 L HN 0.564 nan 8.230 nan 0.000 0.403 388 V N 2.910 122.947 119.914 0.205 0.000 2.577 388 V HA 0.609 4.728 4.120 -0.001 0.000 0.303 388 V C -0.460 175.664 176.094 0.051 0.000 1.042 388 V CA -0.395 61.986 62.300 0.136 0.000 0.872 388 V CB 2.068 33.958 31.823 0.112 0.000 0.998 388 V HN 0.782 nan 8.190 nan 0.000 0.423 389 T N 4.943 119.430 114.554 -0.112 0.000 2.840 389 T HA 0.507 4.856 4.350 -0.001 0.000 0.287 389 T C -0.107 174.393 174.700 -0.334 0.000 0.991 389 T CA -0.647 61.286 62.100 -0.278 0.000 0.964 389 T CB 1.264 69.785 68.868 -0.578 0.000 0.954 389 T HN 0.538 nan 8.240 nan 0.000 0.438 390 R N 1.326 121.719 120.500 -0.178 0.000 2.560 390 R HA 0.753 5.092 4.340 -0.001 0.000 0.270 390 R C -0.065 176.158 176.300 -0.128 0.000 1.074 390 R CA -0.657 55.367 56.100 -0.127 0.000 1.140 390 R CB 0.849 31.119 30.300 -0.050 0.000 1.073 390 R HN 0.676 nan 8.270 nan 0.000 0.527 391 A N 0.677 123.455 122.820 -0.070 0.000 2.340 391 A HA 0.506 4.825 4.320 -0.001 0.000 0.331 391 A C -0.477 177.148 177.584 0.069 0.000 1.140 391 A CA -0.459 51.573 52.037 -0.008 0.000 0.801 391 A CB 1.819 20.820 19.000 0.001 0.000 1.234 391 A HN 0.594 nan 8.150 nan 0.000 0.469 392 T N 0.814 115.465 114.554 0.162 0.000 2.893 392 T HA 0.620 4.969 4.350 -0.001 0.000 0.293 392 T C -0.835 174.104 174.700 0.399 0.000 1.027 392 T CA -0.698 61.547 62.100 0.242 0.000 0.988 392 T CB 0.842 69.879 68.868 0.282 0.000 1.043 392 T HN 0.889 nan 8.240 nan 0.000 0.461 393 K N 4.032 124.563 120.400 0.218 0.000 2.318 393 K HA 0.642 4.961 4.320 -0.001 0.000 0.249 393 K C -1.097 175.308 176.600 -0.324 0.000 0.942 393 K CA -1.181 55.148 56.287 0.070 0.000 0.808 393 K CB 1.927 34.426 32.500 -0.003 0.000 1.189 393 K HN 0.488 nan 8.250 nan 0.000 0.428 394 L N 3.309 124.049 121.223 -0.805 0.000 2.275 394 L HA 0.386 4.726 4.340 -0.001 0.000 0.288 394 L C -1.236 175.351 176.870 -0.472 0.000 1.046 394 L CA -0.848 53.395 54.840 -0.995 0.000 0.805 394 L CB 1.606 42.705 42.059 -1.601 0.000 1.193 394 L HN 0.554 nan 8.230 nan 0.000 0.426 395 V N 5.719 125.351 119.914 -0.471 0.000 2.444 395 V HA 0.347 4.466 4.120 -0.001 0.000 0.294 395 V C -0.143 175.869 176.094 -0.137 0.000 1.022 395 V CA -0.672 61.473 62.300 -0.258 0.000 0.850 395 V CB 1.959 33.569 31.823 -0.354 0.000 0.992 395 V HN 0.468 nan 8.190 nan 0.000 0.426 396 V N 3.999 123.950 119.914 0.062 0.000 2.334 396 V HA 0.611 4.731 4.120 -0.001 0.000 0.281 396 V C 0.224 176.456 176.094 0.229 0.000 1.016 396 V CA -0.030 62.339 62.300 0.115 0.000 0.832 396 V CB 1.352 33.273 31.823 0.162 0.000 0.999 396 V HN 0.896 nan 8.190 nan 0.000 0.439 397 S N 4.376 120.179 115.700 0.172 0.000 2.638 397 S HA 0.889 5.358 4.470 -0.001 0.000 0.302 397 S C -0.926 173.747 174.600 0.121 0.000 1.096 397 S CA -0.536 57.734 58.200 0.117 0.000 0.953 397 S CB 2.198 65.442 63.200 0.072 0.000 1.107 397 S HN 0.928 nan 8.310 nan 0.000 0.503 398 Q N 1.539 121.375 119.800 0.061 0.000 2.435 398 Q HA 0.669 5.008 4.340 -0.001 0.000 0.282 398 Q C -1.959 174.079 176.000 0.063 0.000 1.020 398 Q CA -0.870 55.028 55.803 0.157 0.000 0.820 398 Q CB 1.335 30.283 28.738 0.350 0.000 1.436 398 Q HN 0.678 nan 8.270 nan 0.000 0.395 399 I N 3.430 124.076 120.570 0.126 0.000 2.500 399 I HA 0.458 4.628 4.170 -0.001 0.000 0.286 399 I C -1.153 175.087 176.117 0.205 0.000 1.063 399 I CA -0.877 60.462 61.300 0.066 0.000 1.062 399 I CB 1.289 39.298 38.000 0.016 0.000 1.223 399 I HN 0.688 nan 8.210 nan 0.000 0.435 400 F N 3.558 123.592 119.950 0.141 0.000 2.507 400 F HA 0.785 5.311 4.527 -0.002 0.000 0.327 400 F C -0.448 175.448 175.800 0.160 0.000 1.068 400 F CA -0.787 57.309 58.000 0.160 0.000 0.965 400 F CB 1.473 40.574 39.000 0.168 0.000 1.192 400 F HN 0.131 nan 8.300 nan 0.000 0.476 401 T N 2.515 117.321 114.554 0.420 0.000 2.770 401 T HA 0.675 5.024 4.350 -0.001 0.000 0.283 401 T C -0.454 174.423 174.700 0.295 0.000 0.988 401 T CA -0.419 61.831 62.100 0.250 0.000 0.957 401 T CB 1.091 70.047 68.868 0.147 0.000 0.930 401 T HN 0.905 nan 8.240 nan 0.000 0.443 402 A N 2.939 125.905 122.820 0.244 0.000 2.801 402 A HA 0.764 5.083 4.320 -0.001 0.000 0.344 402 A C 1.125 178.682 177.584 -0.045 0.000 1.322 402 A CA 0.070 52.164 52.037 0.095 0.000 0.913 402 A CB -0.893 18.266 19.000 0.266 0.000 1.140 402 A HN 1.460 nan 8.150 nan 0.000 0.487 403 A N 2.012 124.796 122.820 -0.059 0.000 5.042 403 A HA -0.308 4.011 4.320 -0.001 0.000 0.334 403 A C 1.028 178.654 177.584 0.069 0.000 1.811 403 A CA 1.618 53.667 52.037 0.020 0.000 0.704 403 A CB -2.068 16.933 19.000 0.001 0.000 1.410 403 A HN 1.548 nan 8.150 nan 0.000 0.386 407 Y N 0.221 120.192 120.300 -0.548 0.000 2.328 407 Y HA 0.374 4.923 4.550 -0.002 0.000 0.333 407 Y C -0.022 175.612 175.900 -0.443 0.000 0.958 407 Y CA -0.707 57.061 58.100 -0.552 0.000 1.167 407 Y CB 1.360 39.272 38.460 -0.913 0.000 1.151 407 Y HN 0.492 nan 8.280 nan 0.000 0.470 408 C N 5.555 124.747 119.300 -0.180 0.000 2.285 408 C HA 0.612 5.072 4.460 -0.001 0.000 0.335 408 C C 0.025 174.777 174.990 -0.397 0.000 1.267 408 C CA -1.203 57.656 59.018 -0.265 0.000 1.762 408 C CB -0.977 26.680 27.740 -0.138 0.000 2.365 408 C HN 0.638 nan 8.230 nan 0.000 0.527 409 L N 3.536 124.458 121.223 -0.502 0.000 2.322 409 L HA 0.531 4.870 4.340 -0.001 0.000 0.281 409 L C -1.125 175.350 176.870 -0.659 0.000 1.014 409 L CA -0.480 54.097 54.840 -0.438 0.000 0.815 409 L CB 0.795 42.778 42.059 -0.127 0.000 1.247 409 L HN 0.633 nan 8.230 nan 0.000 0.421 410 Y N 0.589 120.748 120.300 -0.236 0.000 2.402 410 Y HA 0.290 4.840 4.550 -0.001 0.000 0.325 410 Y C -0.902 174.821 175.900 -0.295 0.000 1.009 410 Y CA -0.730 57.268 58.100 -0.170 0.000 1.278 410 Y CB 0.937 39.316 38.460 -0.136 0.000 1.105 410 Y HN 0.467 nan 8.280 nan 0.000 0.476 411 W N 3.573 124.878 121.300 0.008 0.000 2.345 411 W HA 0.585 5.244 4.660 -0.001 0.000 0.308 411 W C -0.756 175.689 176.519 -0.122 0.000 1.273 411 W CA -0.664 56.619 57.345 -0.103 0.000 1.243 411 W CB 0.858 30.269 29.460 -0.081 0.000 1.260 411 W HN 0.130 nan 8.180 nan 0.000 0.509 412 V N 5.356 125.206 119.914 -0.107 0.000 2.448 412 V HA 0.427 4.546 4.120 -0.001 0.000 0.295 412 V C -0.540 175.365 176.094 -0.315 0.000 1.025 412 V CA -1.117 61.097 62.300 -0.145 0.000 0.859 412 V CB 0.702 32.439 31.823 -0.142 0.000 0.988 412 V HN 0.195 nan 8.190 nan 0.000 0.431 413 F N 4.415 124.216 119.950 -0.248 0.000 2.443 413 F HA 0.746 5.273 4.527 -0.001 0.000 0.335 413 F C 0.292 176.170 175.800 0.131 0.000 1.104 413 F CA -0.485 57.387 58.000 -0.214 0.000 1.013 413 F CB 1.840 40.550 39.000 -0.482 0.000 1.136 413 F HN 0.280 nan 8.300 nan 0.000 0.470 414 M N 1.868 121.796 119.600 0.546 0.000 2.644 414 M HA 0.308 4.787 4.480 -0.001 0.000 0.304 414 M C 0.495 177.206 176.300 0.685 0.000 1.215 414 M CA -0.627 55.023 55.300 0.583 0.000 0.871 414 M CB 2.294 35.073 32.600 0.297 0.000 1.740 414 M HN 0.571 nan 8.290 nan 0.000 0.464 415 Q N 0.734 120.812 119.800 0.463 0.000 2.515 415 Q HA -0.113 4.226 4.340 -0.001 0.000 0.212 415 Q C 0.123 176.228 176.000 0.174 0.000 0.970 415 Q CA 0.690 56.638 55.803 0.241 0.000 0.941 415 Q CB -0.190 28.603 28.738 0.092 0.000 0.998 415 Q HN 0.604 nan 8.270 nan 0.000 0.518 416 D N -1.562 118.957 120.400 0.198 0.000 2.395 416 D HA 0.096 4.735 4.640 -0.001 0.000 0.213 416 D C 1.110 177.457 176.300 0.078 0.000 1.110 416 D CA 0.507 54.567 54.000 0.100 0.000 0.835 416 D CB 0.421 41.289 40.800 0.113 0.000 0.965 416 D HN 0.186 nan 8.370 nan 0.000 0.505 417 G N -0.204 108.726 108.800 0.218 0.000 2.176 417 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.232 417 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.232 417 G C 0.463 175.662 174.900 0.498 0.000 0.986 417 G CA 0.053 45.319 45.100 0.277 0.000 0.643 417 G HN 0.790 nan 8.290 nan 0.000 0.522 418 A N -0.259 122.788 122.820 0.379 0.000 2.302 418 A HA 0.831 5.150 4.320 -0.001 0.000 0.285 418 A C 0.130 177.856 177.584 0.236 0.000 1.105 418 A CA -0.118 52.089 52.037 0.284 0.000 0.816 418 A CB 0.602 19.681 19.000 0.131 0.000 1.067 418 A HN 0.805 nan 8.150 nan 0.000 0.489 419 I N 0.750 121.376 120.570 0.094 0.000 2.498 419 I HA 0.529 4.699 4.170 -0.001 0.000 0.290 419 I C 0.127 176.135 176.117 -0.181 0.000 1.032 419 I CA -0.382 60.781 61.300 -0.228 0.000 1.073 419 I CB 1.986 39.800 38.000 -0.310 0.000 1.251 419 I HN 0.796 nan 8.210 nan 0.000 0.426 420 R N 5.983 126.323 120.500 -0.267 0.000 2.744 420 R HA 0.651 4.990 4.340 -0.001 0.000 0.279 420 R C -1.961 174.152 176.300 -0.312 0.000 0.977 420 R CA -0.721 55.240 56.100 -0.232 0.000 0.906 420 R CB 2.210 32.407 30.300 -0.172 0.000 1.197 420 R HN 0.610 nan 8.270 nan 0.000 0.463 421 L N 4.011 125.002 121.223 -0.387 0.000 2.316 421 L HA 0.454 4.793 4.340 -0.001 0.000 0.280 421 L C -1.473 175.144 176.870 -0.422 0.000 1.006 421 L CA -0.642 53.854 54.840 -0.573 0.000 0.836 421 L CB 1.555 43.138 42.059 -0.793 0.000 1.221 421 L HN 0.723 nan 8.230 nan 0.000 0.418 422 D N 5.793 126.015 120.400 -0.296 0.000 2.192 422 D HA 0.572 5.211 4.640 -0.001 0.000 0.246 422 D C -0.310 175.953 176.300 -0.062 0.000 1.042 422 D CA -0.023 53.880 54.000 -0.160 0.000 0.847 422 D CB 2.810 43.535 40.800 -0.126 0.000 1.186 422 D HN 0.346 nan 8.370 nan 0.000 0.461 423 I N 1.242 121.767 120.570 -0.075 0.000 2.689 423 I HA 0.419 4.588 4.170 -0.001 0.000 0.299 423 I C -0.067 176.046 176.117 -0.006 0.000 1.059 423 I CA -0.797 60.463 61.300 -0.067 0.000 1.055 423 I CB 2.291 40.155 38.000 -0.227 0.000 1.243 423 I HN -0.056 nan 8.210 nan 0.000 0.425 424 R N 5.602 126.118 120.500 0.028 0.000 2.532 424 R HA 0.614 4.953 4.340 -0.001 0.000 0.297 424 R C -1.534 174.707 176.300 -0.098 0.000 0.984 424 R CA -0.799 55.297 56.100 -0.007 0.000 0.884 424 R CB 2.340 32.693 30.300 0.088 0.000 1.182 424 R HN 0.489 nan 8.270 nan 0.000 0.442 425 L N 2.075 123.197 121.223 -0.169 0.000 2.295 425 L HA 0.564 4.903 4.340 -0.001 0.000 0.285 425 L C 0.517 177.230 176.870 -0.262 0.000 1.035 425 L CA -0.305 54.352 54.840 -0.305 0.000 0.806 425 L CB 1.761 43.580 42.059 -0.401 0.000 1.214 425 L HN 0.652 nan 8.230 nan 0.000 0.426 426 T N 0.929 115.306 114.554 -0.294 0.000 2.612 426 T HA 0.820 5.170 4.350 -0.001 0.000 0.296 426 T C -0.185 174.369 174.700 -0.244 0.000 1.148 426 T CA 0.404 62.371 62.100 -0.222 0.000 1.077 426 T CB 1.514 70.277 68.868 -0.176 0.000 1.591 426 T HN 1.025 nan 8.240 nan 0.000 0.479 427 G N 0.272 108.939 108.800 -0.221 0.000 2.445 427 G HA2 0.012 3.971 3.960 -0.001 0.000 0.212 427 G HA3 0.012 3.971 3.960 -0.001 0.000 0.212 427 G C -1.239 173.527 174.900 -0.223 0.000 1.217 427 G CA -0.225 44.742 45.100 -0.222 0.000 1.002 427 G HN 0.926 nan 8.290 nan 0.000 0.574 428 I N 0.830 121.263 120.570 -0.229 0.000 2.569 428 I HA 0.452 4.621 4.170 -0.001 0.000 0.296 428 I C 0.714 176.718 176.117 -0.187 0.000 1.028 428 I CA -0.914 60.242 61.300 -0.241 0.000 1.082 428 I CB 1.849 39.609 38.000 -0.401 0.000 1.264 428 I HN 0.511 nan 8.210 nan 0.000 0.429 429 L N 4.770 125.986 121.223 -0.012 0.000 2.485 429 L HA 0.040 4.380 4.340 -0.001 0.000 0.275 429 L C 0.794 177.654 176.870 -0.016 0.000 1.207 429 L CA 0.203 55.079 54.840 0.060 0.000 0.855 429 L CB 0.013 42.160 42.059 0.146 0.000 1.114 429 L HN 0.694 nan 8.230 nan 0.000 0.485 430 N N 1.954 120.681 118.700 0.044 0.000 2.497 430 N HA 0.111 4.851 4.740 -0.001 0.000 0.271 430 N C -0.761 174.796 175.510 0.078 0.000 1.142 430 N CA -0.235 52.868 53.050 0.088 0.000 0.965 430 N CB 1.123 39.649 38.487 0.066 0.000 1.077 430 N HN 0.690 nan 8.380 nan 0.000 0.462 431 T N 0.730 115.401 114.554 0.194 0.000 2.907 431 T HA 0.411 4.760 4.350 -0.001 0.000 0.292 431 T C -1.094 173.696 174.700 0.149 0.000 1.043 431 T CA -0.734 61.432 62.100 0.111 0.000 1.003 431 T CB 1.511 70.475 68.868 0.161 0.000 1.084 431 T HN 0.515 nan 8.240 nan 0.000 0.483 432 Y N 1.450 121.642 120.300 -0.180 0.000 2.570 432 Y HA 0.695 5.242 4.550 -0.003 0.000 0.345 432 Y C -0.414 175.431 175.900 -0.093 0.000 1.014 432 Y CA -2.165 55.836 58.100 -0.164 0.000 1.063 432 Y CB 1.480 39.775 38.460 -0.275 0.000 1.272 432 Y HN 0.992 nan 8.280 nan 0.000 0.477 433 I N 4.137 124.107 120.570 -0.999 0.000 2.754 433 I HA 0.239 4.408 4.170 -0.001 0.000 0.285 433 I C -1.251 174.647 176.117 -0.365 0.000 1.166 433 I CA -0.043 60.894 61.300 -0.605 0.000 1.417 433 I CB 0.407 38.051 38.000 -0.594 0.000 1.382 433 I HN 0.600 nan 8.210 nan 0.000 0.588 434 L N 7.312 128.434 121.223 -0.169 0.000 2.381 434 L HA 0.655 4.994 4.340 -0.001 0.000 0.274 434 L C 0.065 176.912 176.870 -0.039 0.000 0.988 434 L CA -0.137 54.671 54.840 -0.053 0.000 0.824 434 L CB 1.520 43.559 42.059 -0.034 0.000 1.263 434 L HN 0.649 nan 8.230 nan 0.000 0.410 435 G N 2.285 111.086 108.800 0.001 0.000 2.614 435 G HA2 0.070 4.030 3.960 -0.001 0.000 0.239 435 G HA3 0.070 4.030 3.960 -0.001 0.000 0.239 435 G C 0.308 175.209 174.900 0.002 0.000 1.240 435 G CA -0.151 44.952 45.100 0.005 0.000 0.842 435 G HN 0.800 nan 8.290 nan 0.000 0.584 436 D N -0.070 120.334 120.400 0.006 0.000 2.123 436 D HA -0.076 4.564 4.640 -0.001 0.000 0.196 436 D C 1.094 177.397 176.300 0.006 0.000 0.992 436 D CA 1.240 55.246 54.000 0.010 0.000 0.833 436 D CB 0.255 41.063 40.800 0.015 0.000 0.954 436 D HN 0.345 nan 8.370 nan 0.000 0.455 437 D N 0.090 120.496 120.400 0.009 0.000 2.593 437 D HA 0.054 4.693 4.640 -0.001 0.000 0.241 437 D C -0.169 176.140 176.300 0.015 0.000 1.257 437 D CA -0.099 53.906 54.000 0.009 0.000 0.828 437 D CB 0.294 41.100 40.800 0.009 0.000 1.049 437 D HN 0.264 nan 8.370 nan 0.000 0.490 438 E N 1.381 121.593 120.200 0.020 0.000 2.216 438 E HA 0.180 4.530 4.350 -0.001 0.000 0.279 438 E C -0.527 176.091 176.600 0.031 0.000 0.997 438 E CA -0.562 55.859 56.400 0.036 0.000 0.817 438 E CB 1.341 31.074 29.700 0.055 0.000 1.096 438 E HN -0.156 nan 8.360 nan 0.000 0.393 439 E N 2.811 123.032 120.200 0.035 0.000 2.227 439 E HA 0.273 4.622 4.350 -0.001 0.000 0.282 439 E C -0.139 176.488 176.600 0.044 0.000 1.015 439 E CA -0.065 56.348 56.400 0.022 0.000 0.823 439 E CB 1.411 31.112 29.700 0.002 0.000 1.081 439 E HN 0.542 nan 8.360 nan 0.000 0.396 440 A N 4.368 127.211 122.820 0.038 0.000 2.277 440 A HA 0.216 4.535 4.320 -0.001 0.000 0.208 440 A C 1.374 178.989 177.584 0.052 0.000 1.202 440 A CA 0.815 52.898 52.037 0.077 0.000 0.762 440 A CB -1.580 17.455 19.000 0.059 0.000 0.770 440 A HN 1.080 nan 8.150 nan 0.000 0.487 441 G N 0.113 108.903 108.800 -0.017 0.000 2.566 441 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.308 441 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.308 441 G C -0.794 173.954 174.900 -0.253 0.000 1.317 441 G CA 0.315 45.329 45.100 -0.143 0.000 0.930 441 G HN 0.389 nan 8.290 nan 0.000 0.547 442 P HA 0.091 nan 4.420 nan 0.000 0.240 442 P C 1.159 178.205 177.300 -0.424 0.000 1.190 442 P CA 1.491 64.231 63.100 -0.600 0.000 0.781 442 P CB -0.072 31.076 31.700 -0.920 0.000 0.931 443 W N 0.611 121.954 121.300 0.072 0.000 3.003 443 W HA 0.374 5.032 4.660 -0.004 0.000 0.257 443 W C 1.101 177.709 176.519 0.149 0.000 1.308 443 W CA 0.061 57.452 57.345 0.077 0.000 1.529 443 W CB 0.078 29.528 29.460 -0.016 0.000 1.115 443 W HN -0.026 nan 8.180 nan 0.000 0.659 444 G N -0.620 108.359 108.800 0.297 0.000 2.645 444 G HA2 0.541 4.500 3.960 -0.001 0.000 0.292 444 G HA3 0.541 4.500 3.960 -0.001 0.000 0.292 444 G C -1.446 173.546 174.900 0.153 0.000 1.415 444 G CA -0.643 44.631 45.100 0.290 0.000 0.785 444 G HN -0.288 nan 8.290 nan 0.000 0.483 445 T N 0.099 114.717 114.554 0.107 0.000 2.841 445 T HA 0.459 4.808 4.350 -0.001 0.000 0.283 445 T C -0.025 174.672 174.700 -0.004 0.000 1.000 445 T CA -0.620 61.508 62.100 0.048 0.000 0.977 445 T CB 1.858 70.756 68.868 0.050 0.000 0.979 445 T HN 0.540 nan 8.240 nan 0.000 0.446 446 R N 2.978 123.468 120.500 -0.015 0.000 2.325 446 R HA 0.272 4.611 4.340 -0.001 0.000 0.323 446 R C 0.980 177.244 176.300 -0.060 0.000 1.177 446 R CA -0.215 55.855 56.100 -0.051 0.000 1.018 446 R CB -0.260 30.014 30.300 -0.043 0.000 1.070 446 R HN 0.586 nan 8.270 nan 0.000 0.495 447 V N 2.068 121.909 119.914 -0.121 0.000 3.623 447 V HA 0.239 4.359 4.120 -0.001 0.000 0.271 447 V C -0.231 175.872 176.094 0.016 0.000 1.248 447 V CA 0.002 62.238 62.300 -0.106 0.000 1.156 447 V CB -1.077 30.571 31.823 -0.293 0.000 0.870 447 V HN 0.687 nan 8.190 nan 0.000 0.453 448 Y N -0.983 119.199 120.300 -0.196 0.000 2.598 448 Y HA 0.505 5.054 4.550 -0.001 0.000 0.333 448 Y C -3.171 172.626 175.900 -0.172 0.000 1.196 448 Y CA -2.108 55.929 58.100 -0.104 0.000 1.145 448 Y CB 1.368 39.842 38.460 0.023 0.000 1.349 448 Y HN -0.108 nan 8.280 nan 0.000 0.469 449 P HA 0.039 nan 4.420 nan 0.000 0.259 449 P C -0.416 176.658 177.300 -0.377 0.000 1.163 449 P CA 1.363 64.076 63.100 -0.647 0.000 0.760 449 P CB 0.282 31.227 31.700 -1.259 0.000 0.762 450 N N -0.452 118.133 118.700 -0.192 0.000 2.828 450 N HA -0.134 4.605 4.740 -0.001 0.000 0.248 450 N C -0.690 174.756 175.510 -0.106 0.000 1.044 450 N CA 0.798 53.785 53.050 -0.105 0.000 0.851 450 N CB -1.524 36.927 38.487 -0.059 0.000 1.136 450 N HN 0.179 nan 8.380 nan 0.000 0.572 451 V N 1.027 120.879 119.914 -0.103 0.000 2.459 451 V HA 0.385 4.504 4.120 -0.001 0.000 0.295 451 V C 0.370 176.381 176.094 -0.138 0.000 1.029 451 V CA -0.839 61.390 62.300 -0.119 0.000 0.874 451 V CB 2.173 33.901 31.823 -0.157 0.000 0.985 451 V HN 0.228 nan 8.190 nan 0.000 0.438 452 N N 2.771 121.393 118.700 -0.129 0.000 2.442 452 N HA 0.665 5.404 4.740 -0.001 0.000 0.274 452 N C -0.610 174.791 175.510 -0.181 0.000 1.002 452 N CA -0.454 52.536 53.050 -0.101 0.000 0.910 452 N CB 1.465 39.947 38.487 -0.010 0.000 1.244 452 N HN 0.853 nan 8.380 nan 0.000 0.492 453 A N 3.391 126.140 122.820 -0.118 0.000 2.253 453 A HA 0.297 4.616 4.320 -0.001 0.000 0.316 453 A C -0.691 176.936 177.584 0.072 0.000 1.327 453 A CA -0.438 51.554 52.037 -0.075 0.000 0.917 453 A CB -0.045 18.920 19.000 -0.059 0.000 1.162 453 A HN 0.850 nan 8.150 nan 0.000 0.535 454 H N 1.982 121.158 119.070 0.177 0.000 2.690 454 H HA 0.112 4.667 4.556 -0.002 0.000 0.365 454 H C 0.232 175.732 175.328 0.287 0.000 1.142 454 H CA -0.539 55.656 56.048 0.244 0.000 1.417 454 H CB 0.699 30.624 29.762 0.271 0.000 1.446 454 H HN 0.668 nan 8.280 nan 0.000 0.599 455 N N 2.256 121.151 118.700 0.324 0.000 2.415 455 N HA 0.046 4.786 4.740 -0.001 0.000 0.248 455 N C -0.160 175.299 175.510 -0.085 0.000 1.271 455 N CA 0.270 53.336 53.050 0.026 0.000 0.913 455 N CB 0.448 38.990 38.487 0.091 0.000 1.129 455 N HN 0.720 nan 8.380 nan 0.000 0.444 456 H N -2.481 116.315 119.070 -0.457 0.000 2.969 456 H HA 0.276 4.831 4.556 -0.002 0.000 0.304 456 H C -1.556 173.479 175.328 -0.488 0.000 1.400 456 H CA -0.781 54.871 56.048 -0.660 0.000 1.182 456 H CB 0.744 29.637 29.762 -1.447 0.000 1.865 456 H HN 0.429 nan 8.280 nan 0.000 0.512 457 Q N 0.741 120.336 119.800 -0.341 0.000 2.348 457 Q HA 0.382 4.721 4.340 -0.001 0.000 0.271 457 Q C -0.857 175.009 176.000 -0.224 0.000 1.067 457 Q CA -0.979 54.687 55.803 -0.229 0.000 0.839 457 Q CB 2.650 31.299 28.738 -0.148 0.000 1.354 457 Q HN 0.503 nan 8.270 nan 0.000 0.447 458 H N 1.944 121.022 119.070 0.014 0.000 2.638 458 H HA 0.430 4.985 4.556 -0.001 0.000 0.317 458 H C -0.883 174.356 175.328 -0.148 0.000 1.006 458 H CA -0.239 55.804 56.048 -0.008 0.000 1.222 458 H CB 0.863 30.761 29.762 0.227 0.000 1.419 458 H HN 0.368 nan 8.280 nan 0.000 0.489 459 L N 3.800 124.855 121.223 -0.281 0.000 2.362 459 L HA 0.485 4.825 4.340 -0.001 0.000 0.271 459 L C -0.873 175.674 176.870 -0.539 0.000 1.002 459 L CA -0.821 53.884 54.840 -0.225 0.000 0.818 459 L CB 1.512 43.545 42.059 -0.044 0.000 1.298 459 L HN 0.326 nan 8.230 nan 0.000 0.420 460 F N -0.171 119.587 119.950 -0.319 0.000 2.577 460 F HA 0.462 4.989 4.527 -0.001 0.000 0.318 460 F C 0.235 175.803 175.800 -0.388 0.000 1.065 460 F CA -0.850 56.881 58.000 -0.447 0.000 0.929 460 F CB 2.152 40.658 39.000 -0.824 0.000 1.237 460 F HN 0.213 nan 8.300 nan 0.000 0.468 461 S N 3.202 118.759 115.700 -0.238 0.000 2.577 461 S HA 0.414 4.884 4.470 -0.001 0.000 0.294 461 S C -0.962 173.677 174.600 0.064 0.000 1.161 461 S CA -0.577 57.488 58.200 -0.225 0.000 1.143 461 S CB 0.055 62.712 63.200 -0.905 0.000 0.991 461 S HN 0.641 nan 8.310 nan 0.000 0.475 462 L N 5.899 127.288 121.223 0.276 0.000 2.361 462 L HA 0.416 4.756 4.340 -0.001 0.000 0.278 462 L C 0.315 177.231 176.870 0.076 0.000 1.113 462 L CA -0.095 54.902 54.840 0.261 0.000 0.849 462 L CB 0.490 42.760 42.059 0.352 0.000 1.155 462 L HN 0.685 nan 8.230 nan 0.000 0.452 463 R N 6.366 126.802 120.500 -0.106 0.000 2.229 463 R HA 0.516 4.855 4.340 -0.001 0.000 0.332 463 R C -1.202 174.868 176.300 -0.383 0.000 0.989 463 R CA -0.545 55.253 56.100 -0.503 0.000 0.842 463 R CB 0.840 30.788 30.300 -0.588 0.000 1.119 463 R HN 0.643 nan 8.270 nan 0.000 0.456 464 I N 3.826 124.168 120.570 -0.380 0.000 2.382 464 I HA 0.151 4.321 4.170 -0.001 0.000 0.286 464 I C -0.602 175.371 176.117 -0.241 0.000 1.002 464 I CA -0.690 60.393 61.300 -0.362 0.000 1.135 464 I CB 1.846 39.589 38.000 -0.428 0.000 1.288 464 I HN 0.515 nan 8.210 nan 0.000 0.448 465 D N 9.785 130.073 120.400 -0.186 0.000 2.473 465 D HA 0.321 4.961 4.640 -0.001 0.000 0.226 465 D C -2.542 173.787 176.300 0.048 0.000 1.089 465 D CA -2.098 51.881 54.000 -0.035 0.000 0.883 465 D CB 1.369 42.179 40.800 0.016 0.000 1.029 465 D HN 0.130 nan 8.370 nan 0.000 0.517 466 P HA 0.360 nan 4.420 nan 0.000 0.278 466 P C -0.422 176.961 177.300 0.139 0.000 1.258 466 P CA -0.578 62.666 63.100 0.241 0.000 0.811 466 P CB 1.307 33.148 31.700 0.235 0.000 1.063 467 R N 1.242 121.818 120.500 0.127 0.000 2.522 467 R HA 0.244 4.583 4.340 -0.001 0.000 0.314 467 R C -0.146 176.184 176.300 0.051 0.000 1.178 467 R CA -0.268 55.870 56.100 0.064 0.000 1.294 467 R CB -0.311 30.033 30.300 0.074 0.000 1.345 467 R HN 0.261 nan 8.270 nan 0.000 0.710 468 I N 2.650 123.257 120.570 0.061 0.000 3.076 468 I HA -0.086 4.083 4.170 -0.001 0.000 0.287 468 I C 0.371 176.599 176.117 0.185 0.000 1.204 468 I CA 1.193 62.568 61.300 0.126 0.000 1.370 468 I CB -0.677 37.435 38.000 0.188 0.000 1.444 468 I HN 0.618 nan 8.210 nan 0.000 0.549 469 D N 4.777 125.327 120.400 0.250 0.000 2.837 469 D HA -0.147 4.493 4.640 -0.001 0.000 0.230 469 D C 0.549 176.870 176.300 0.035 0.000 1.152 469 D CA 1.646 55.704 54.000 0.097 0.000 0.736 469 D CB -0.704 40.028 40.800 -0.115 0.000 1.084 469 D HN 1.180 nan 8.370 nan 0.000 0.429 470 G N -1.085 107.746 108.800 0.051 0.000 2.331 470 G HA2 0.046 4.005 3.960 -0.001 0.000 0.479 470 G HA3 0.046 4.005 3.960 -0.001 0.000 0.479 470 G C -1.350 173.558 174.900 0.013 0.000 1.262 470 G CA -0.243 44.870 45.100 0.023 0.000 1.029 470 G HN 0.176 nan 8.290 nan 0.000 0.487 471 D N 0.585 120.983 120.400 -0.004 0.000 2.193 471 D HA 0.553 5.192 4.640 -0.001 0.000 0.249 471 D C 0.708 176.999 176.300 -0.016 0.000 1.034 471 D CA 1.145 55.134 54.000 -0.019 0.000 0.902 471 D CB 1.398 42.178 40.800 -0.033 0.000 1.182 471 D HN 2.027 nan 8.370 nan 0.000 0.436 472 G N 1.454 110.241 108.800 -0.022 0.000 2.858 472 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.272 472 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.272 472 G C -0.697 174.177 174.900 -0.042 0.000 1.003 472 G CA -0.798 44.288 45.100 -0.023 0.000 1.241 472 G HN 0.395 nan 8.290 nan 0.000 0.569 473 N N -0.340 118.324 118.700 -0.060 0.000 2.457 473 N HA 0.893 5.632 4.740 -0.001 0.000 0.290 473 N C -0.044 175.335 175.510 -0.219 0.000 1.232 473 N CA -0.322 52.651 53.050 -0.130 0.000 0.852 473 N CB 2.053 40.507 38.487 -0.056 0.000 1.313 473 N HN 0.453 nan 8.380 nan 0.000 0.522 474 S N -0.881 114.533 115.700 -0.476 0.000 2.638 474 S HA 0.916 5.385 4.470 -0.001 0.000 0.274 474 S C -1.320 173.018 174.600 -0.437 0.000 1.157 474 S CA -0.714 57.182 58.200 -0.507 0.000 0.826 474 S CB 1.929 64.642 63.200 -0.812 0.000 1.139 474 S HN 0.702 nan 8.310 nan 0.000 0.474 475 A N 0.276 123.066 122.820 -0.050 0.000 2.469 475 A HA 1.016 5.335 4.320 -0.001 0.000 0.299 475 A C -0.887 176.677 177.584 -0.033 0.000 1.098 475 A CA -0.512 51.652 52.037 0.210 0.000 0.737 475 A CB 1.536 20.858 19.000 0.537 0.000 1.312 475 A HN 1.423 nan 8.150 nan 0.000 0.414 476 A N -0.366 122.396 122.820 -0.096 0.000 2.609 476 A HA 0.905 5.225 4.320 -0.001 0.000 0.291 476 A C -0.500 176.916 177.584 -0.281 0.000 1.096 476 A CA -0.008 51.724 52.037 -0.508 0.000 0.684 476 A CB 1.072 20.045 19.000 -0.045 0.000 1.282 476 A HN 2.464 nan 8.150 nan 0.000 0.412 477 A N -0.234 122.434 122.820 -0.254 0.000 2.330 477 A HA 0.615 4.934 4.320 -0.001 0.000 0.327 477 A C -0.588 176.938 177.584 -0.097 0.000 1.155 477 A CA -0.362 51.661 52.037 -0.024 0.000 0.803 477 A CB 0.453 19.584 19.000 0.218 0.000 1.208 477 A HN 1.192 nan 8.150 nan 0.000 0.477 478 C N 2.585 121.784 119.300 -0.169 0.000 2.301 478 C HA 0.614 5.073 4.460 -0.001 0.000 0.323 478 C C -0.790 174.107 174.990 -0.156 0.000 1.265 478 C CA -0.779 58.165 59.018 -0.123 0.000 1.503 478 C CB 0.022 27.714 27.740 -0.080 0.000 2.195 478 C HN 0.789 nan 8.230 nan 0.000 0.477 479 D N 2.191 122.512 120.400 -0.133 0.000 2.505 479 D HA 0.495 5.134 4.640 -0.001 0.000 0.249 479 D C -0.308 175.879 176.300 -0.189 0.000 1.082 479 D CA 0.049 53.955 54.000 -0.157 0.000 0.839 479 D CB 2.194 42.913 40.800 -0.135 0.000 1.317 479 D HN 0.638 nan 8.370 nan 0.000 0.497 480 A N 2.859 125.567 122.820 -0.187 0.000 2.409 480 A HA 0.410 4.729 4.320 -0.001 0.000 0.262 480 A C 0.091 177.511 177.584 -0.273 0.000 1.113 480 A CA -0.038 51.868 52.037 -0.218 0.000 0.790 480 A CB 0.411 19.286 19.000 -0.208 0.000 1.046 480 A HN 0.400 nan 8.150 nan 0.000 0.496 481 K N 2.101 122.274 120.400 -0.379 0.000 2.498 481 K HA 0.420 4.739 4.320 -0.001 0.000 0.254 481 K C -0.786 175.759 176.600 -0.091 0.000 0.933 481 K CA -0.608 55.493 56.287 -0.311 0.000 0.806 481 K CB 2.227 34.471 32.500 -0.428 0.000 1.301 481 K HN 0.631 nan 8.250 nan 0.000 0.432 482 S N 0.954 116.684 115.700 0.049 0.000 2.593 482 S HA 0.040 4.510 4.470 -0.001 0.000 0.269 482 S C 0.428 175.220 174.600 0.321 0.000 1.334 482 S CA -0.360 57.958 58.200 0.196 0.000 1.015 482 S CB 1.099 64.374 63.200 0.124 0.000 0.912 482 S HN 0.612 nan 8.310 nan 0.000 0.541 483 S N 2.334 118.249 115.700 0.359 0.000 2.568 483 S HA 0.113 4.582 4.470 -0.001 0.000 0.282 483 S C -1.207 173.544 174.600 0.252 0.000 1.338 483 S CA -1.158 57.253 58.200 0.352 0.000 1.045 483 S CB 0.288 63.653 63.200 0.276 0.000 0.873 483 S HN 0.547 nan 8.310 nan 0.000 0.516 484 P HA -0.003 nan 4.420 nan 0.000 0.225 484 P C -0.271 176.983 177.300 -0.078 0.000 1.156 484 P CA 0.747 63.854 63.100 0.013 0.000 0.787 484 P CB -0.106 31.532 31.700 -0.103 0.000 0.802 485 Y N 2.363 122.686 120.300 0.037 0.000 2.346 485 Y HA 0.219 4.768 4.550 -0.001 0.000 0.330 485 Y C -1.388 174.530 175.900 0.030 0.000 1.178 485 Y CA -2.312 55.801 58.100 0.022 0.000 1.331 485 Y CB -0.393 38.073 38.460 0.010 0.000 1.253 485 Y HN 0.030 nan 8.280 nan 0.000 0.529 486 P HA 0.096 nan 4.420 nan 0.000 0.278 486 P C -0.420 176.928 177.300 0.081 0.000 1.266 486 P CA -0.592 62.564 63.100 0.093 0.000 0.807 486 P CB 1.270 33.003 31.700 0.054 0.000 1.094 487 L N 0.500 121.755 121.223 0.053 0.000 2.543 487 L HA 0.029 4.368 4.340 -0.001 0.000 0.285 487 L C 1.624 178.489 176.870 -0.008 0.000 1.236 487 L CA 1.894 56.749 54.840 0.024 0.000 0.871 487 L CB -0.715 41.357 42.059 0.021 0.000 1.121 487 L HN 0.919 nan 8.230 nan 0.000 0.501 488 G N 2.229 110.992 108.800 -0.061 0.000 2.184 488 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.264 488 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.264 488 G C 0.287 175.153 174.900 -0.057 0.000 0.975 488 G CA 0.479 45.527 45.100 -0.086 0.000 0.642 488 G HN 0.913 nan 8.290 nan 0.000 0.536 489 S N 0.046 115.736 115.700 -0.016 0.000 2.610 489 S HA 0.657 5.126 4.470 -0.001 0.000 0.273 489 S C -0.882 173.695 174.600 -0.038 0.000 1.274 489 S CA -0.739 57.465 58.200 0.007 0.000 1.023 489 S CB 2.385 65.643 63.200 0.097 0.000 0.962 489 S HN -0.036 nan 8.310 nan 0.000 0.523 490 P HA -0.109 nan 4.420 nan 0.000 0.217 490 P C 0.669 177.902 177.300 -0.112 0.000 1.148 490 P CA 1.281 64.337 63.100 -0.072 0.000 0.828 490 P CB 0.002 31.663 31.700 -0.064 0.000 0.783 491 E N -2.147 117.944 120.200 -0.182 0.000 2.371 491 E HA -0.005 4.345 4.350 -0.001 0.000 0.194 491 E C 0.731 177.233 176.600 -0.164 0.000 1.012 491 E CA 0.502 56.713 56.400 -0.314 0.000 0.860 491 E CB -0.263 28.907 29.700 -0.882 0.000 0.811 491 E HN 0.092 nan 8.360 nan 0.000 0.502 492 N N -0.383 118.285 118.700 -0.052 0.000 2.604 492 N HA 0.077 4.817 4.740 -0.001 0.000 0.284 492 N C 0.268 175.786 175.510 0.013 0.000 1.716 492 N CA -0.008 53.058 53.050 0.027 0.000 0.859 492 N CB -0.001 38.546 38.487 0.100 0.000 1.403 492 N HN -0.065 nan 8.380 nan 0.000 0.501 493 M N 0.143 119.717 119.600 -0.043 0.000 2.116 493 M HA -0.158 4.321 4.480 -0.001 0.000 0.255 493 M C 0.241 176.333 176.300 -0.345 0.000 1.075 493 M CA 2.095 57.265 55.300 -0.216 0.000 1.087 493 M CB -0.321 32.082 32.600 -0.329 0.000 1.340 493 M HN 0.374 nan 8.290 nan 0.000 0.402 494 Y N -0.939 119.374 120.300 0.020 0.000 2.485 494 Y HA 0.448 4.997 4.550 -0.001 0.000 0.260 494 Y C 1.437 177.361 175.900 0.040 0.000 1.173 494 Y CA 0.034 58.150 58.100 0.026 0.000 1.252 494 Y CB -0.283 38.190 38.460 0.020 0.000 1.123 494 Y HN 0.406 nan 8.280 nan 0.000 0.524 495 G N 1.720 110.605 108.800 0.142 0.000 2.249 495 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.273 495 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.273 495 G C 0.820 175.812 174.900 0.153 0.000 1.036 495 G CA 0.790 45.968 45.100 0.130 0.000 0.824 495 G HN 0.587 nan 8.290 nan 0.000 0.504 496 N N -0.408 118.394 118.700 0.168 0.000 2.254 496 N HA 0.379 5.118 4.740 -0.001 0.000 0.190 496 N C 1.037 176.666 175.510 0.198 0.000 1.107 496 N CA 0.639 53.795 53.050 0.177 0.000 0.869 496 N CB 0.086 38.655 38.487 0.137 0.000 0.983 496 N HN 0.960 nan 8.380 nan 0.000 0.487 497 A N 1.030 123.944 122.820 0.158 0.000 2.511 497 A HA 0.434 4.753 4.320 -0.001 0.000 0.242 497 A C -0.431 177.320 177.584 0.278 0.000 1.069 497 A CA -0.142 51.972 52.037 0.127 0.000 0.763 497 A CB -0.527 18.536 19.000 0.105 0.000 1.001 497 A HN 0.485 nan 8.150 nan 0.000 0.498 498 F N 0.811 120.854 119.950 0.156 0.000 2.693 498 F HA 0.729 5.255 4.527 -0.001 0.000 0.309 498 F C -1.116 174.825 175.800 0.236 0.000 1.129 498 F CA -1.552 56.558 58.000 0.184 0.000 0.948 498 F CB 0.707 39.745 39.000 0.063 0.000 1.315 498 F HN 0.791 nan 8.300 nan 0.000 0.447 499 Y N -0.481 120.025 120.300 0.343 0.000 2.896 499 Y HA 0.819 5.368 4.550 -0.001 0.000 0.317 499 Y C -1.446 174.580 175.900 0.210 0.000 1.444 499 Y CA -1.811 56.401 58.100 0.188 0.000 1.084 499 Y CB 0.822 39.326 38.460 0.073 0.000 1.382 499 Y HN 0.808 nan 8.280 nan 0.000 0.471 500 S N 0.370 116.085 115.700 0.026 0.000 2.498 500 S HA 0.318 4.787 4.470 -0.001 0.000 0.317 500 S C -1.147 173.439 174.600 -0.025 0.000 1.090 500 S CA -0.602 57.550 58.200 -0.079 0.000 1.089 500 S CB 0.457 63.671 63.200 0.023 0.000 0.997 500 S HN 0.688 nan 8.310 nan 0.000 0.470 501 E N 3.813 123.929 120.200 -0.140 0.000 2.152 501 E HA 0.199 4.548 4.350 -0.001 0.000 0.285 501 E C -0.553 176.052 176.600 0.008 0.000 1.043 501 E CA -0.379 56.038 56.400 0.029 0.000 0.839 501 E CB 0.514 30.215 29.700 0.001 0.000 1.069 501 E HN 0.439 nan 8.360 nan 0.000 0.399 502 K N 3.629 124.045 120.400 0.027 0.000 2.234 502 K HA 0.222 4.541 4.320 -0.001 0.000 0.277 502 K C -1.203 175.396 176.600 -0.002 0.000 1.038 502 K CA -0.342 55.930 56.287 -0.025 0.000 0.888 502 K CB 1.206 33.660 32.500 -0.076 0.000 1.091 502 K HN 0.413 nan 8.250 nan 0.000 0.467 503 T N 3.068 117.618 114.554 -0.006 0.000 2.963 503 T HA 0.063 4.413 4.350 -0.001 0.000 0.343 503 T C -0.158 174.523 174.700 -0.033 0.000 1.146 503 T CA -0.503 61.624 62.100 0.044 0.000 1.016 503 T CB 0.798 69.743 68.868 0.129 0.000 1.046 503 T HN 0.631 nan 8.240 nan 0.000 0.496 504 T N 2.293 116.856 114.554 0.015 0.000 2.832 504 T HA 0.481 4.830 4.350 -0.001 0.000 0.296 504 T C -0.009 174.776 174.700 0.141 0.000 0.968 504 T CA -0.646 61.461 62.100 0.012 0.000 1.107 504 T CB -0.176 68.829 68.868 0.230 0.000 0.916 504 T HN 0.207 nan 8.240 nan 0.000 0.517 505 F N 3.699 123.773 119.950 0.207 0.000 2.504 505 F HA 0.373 4.899 4.527 -0.001 0.000 0.369 505 F C 1.387 177.257 175.800 0.116 0.000 1.082 505 F CA -0.942 57.145 58.000 0.146 0.000 1.216 505 F CB 0.468 39.552 39.000 0.139 0.000 1.108 505 F HN 0.711 nan 8.300 nan 0.000 0.554 506 K N 0.328 120.895 120.400 0.279 0.000 2.244 506 K HA 0.107 4.426 4.320 -0.001 0.000 0.200 506 K C 0.572 177.253 176.600 0.136 0.000 1.052 506 K CA 0.643 57.034 56.287 0.174 0.000 0.980 506 K CB 0.379 32.960 32.500 0.135 0.000 0.838 506 K HN 0.571 nan 8.250 nan 0.000 0.481 507 T N -0.203 114.424 114.554 0.122 0.000 2.908 507 T HA 0.163 4.512 4.350 -0.001 0.000 0.290 507 T C 1.134 175.858 174.700 0.040 0.000 1.034 507 T CA -0.649 61.494 62.100 0.072 0.000 1.010 507 T CB 2.012 70.912 68.868 0.052 0.000 1.068 507 T HN -0.252 nan 8.240 nan 0.000 0.481 508 V N 3.298 123.225 119.914 0.022 0.000 2.277 508 V HA -0.218 3.902 4.120 -0.001 0.000 0.253 508 V C 2.674 178.711 176.094 -0.094 0.000 1.067 508 V CA 2.005 64.293 62.300 -0.019 0.000 1.047 508 V CB -0.507 31.318 31.823 0.003 0.000 0.649 508 V HN 0.834 nan 8.190 nan 0.000 0.447 509 K N -0.347 120.012 120.400 -0.069 0.000 2.113 509 K HA -0.265 4.054 4.320 -0.001 0.000 0.208 509 K C 1.799 178.308 176.600 -0.151 0.000 1.047 509 K CA 1.978 58.205 56.287 -0.099 0.000 0.928 509 K CB -0.290 32.183 32.500 -0.045 0.000 0.716 509 K HN 0.534 nan 8.250 nan 0.000 0.446 510 D N -0.139 120.190 120.400 -0.117 0.000 2.218 510 D HA -0.123 4.517 4.640 -0.001 0.000 0.204 510 D C 1.935 177.900 176.300 -0.558 0.000 0.976 510 D CA 1.446 55.368 54.000 -0.129 0.000 0.853 510 D CB -0.057 40.800 40.800 0.096 0.000 0.939 510 D HN 0.341 nan 8.370 nan 0.000 0.481 511 S N 0.289 115.517 115.700 -0.787 0.000 2.436 511 S HA -0.045 4.424 4.470 -0.001 0.000 0.228 511 S C 1.351 175.476 174.600 -0.791 0.000 1.014 511 S CA -0.085 57.271 58.200 -1.407 0.000 0.950 511 S CB -0.563 62.192 63.200 -0.741 0.000 0.784 511 S HN 0.185 nan 8.310 nan 0.000 0.504 512 L N 3.897 124.797 121.223 -0.539 0.000 2.694 512 L HA 0.167 4.506 4.340 -0.001 0.000 0.287 512 L C 0.472 177.117 176.870 -0.375 0.000 1.249 512 L CA -0.123 54.350 54.840 -0.612 0.000 1.177 512 L CB -1.471 40.077 42.059 -0.851 0.000 1.435 512 L HN 0.448 nan 8.230 nan 0.000 0.440 513 T N -1.276 113.222 114.554 -0.092 0.000 2.907 513 T HA 0.576 4.925 4.350 -0.001 0.000 0.290 513 T C -0.253 174.704 174.700 0.429 0.000 1.066 513 T CA -1.091 61.148 62.100 0.232 0.000 1.012 513 T CB 2.540 71.671 68.868 0.438 0.000 1.184 513 T HN 0.206 nan 8.240 nan 0.000 0.522 514 N N -0.284 118.699 118.700 0.472 0.000 2.328 514 N HA 0.352 5.092 4.740 -0.001 0.000 0.299 514 N C -1.522 174.354 175.510 0.611 0.000 1.179 514 N CA -0.671 52.686 53.050 0.512 0.000 0.793 514 N CB 1.466 40.144 38.487 0.319 0.000 1.366 514 N HN 0.783 nan 8.380 nan 0.000 0.493 515 Y N 1.077 121.742 120.300 0.609 0.000 2.511 515 Y HA 0.081 4.630 4.550 -0.001 0.000 0.332 515 Y C -0.281 175.742 175.900 0.206 0.000 1.177 515 Y CA 0.430 58.794 58.100 0.441 0.000 1.422 515 Y CB 0.536 39.307 38.460 0.518 0.000 1.271 515 Y HN 0.287 nan 8.280 nan 0.000 0.550 516 E N 3.690 123.402 120.200 -0.814 0.000 2.216 516 E HA 0.144 4.493 4.350 -0.001 0.000 0.260 516 E C 0.439 176.533 176.600 -0.844 0.000 0.880 516 E CA -0.023 56.021 56.400 -0.594 0.000 0.765 516 E CB 1.676 31.201 29.700 -0.291 0.000 1.174 516 E HN 0.796 nan 8.360 nan 0.000 0.417 517 S N 1.758 117.134 115.700 -0.540 0.000 2.402 517 S HA -0.143 4.326 4.470 -0.001 0.000 0.229 517 S C 1.864 176.357 174.600 -0.179 0.000 1.021 517 S CA 0.875 58.911 58.200 -0.273 0.000 0.974 517 S CB -0.098 63.083 63.200 -0.031 0.000 0.800 517 S HN 0.491 nan 8.310 nan 0.000 0.484 518 A N 1.929 124.649 122.820 -0.167 0.000 2.024 518 A HA -0.038 4.281 4.320 -0.001 0.000 0.220 518 A C 2.307 179.808 177.584 -0.138 0.000 1.164 518 A CA 1.899 53.863 52.037 -0.121 0.000 0.643 518 A CB -1.050 17.892 19.000 -0.096 0.000 0.806 518 A HN 0.801 nan 8.150 nan 0.000 0.451 519 T N -5.255 109.190 114.554 -0.181 0.000 3.084 519 T HA 0.435 4.785 4.350 -0.001 0.000 0.270 519 T C 1.053 175.651 174.700 -0.170 0.000 1.008 519 T CA 0.865 62.859 62.100 -0.175 0.000 0.900 519 T CB -0.040 68.724 68.868 -0.173 0.000 1.084 519 T HN 1.654 nan 8.240 nan 0.000 0.538 520 G N 2.866 111.572 108.800 -0.157 0.000 2.393 520 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.299 520 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.299 520 G C -0.022 174.857 174.900 -0.034 0.000 0.990 520 G CA 0.298 45.376 45.100 -0.036 0.000 1.118 520 G HN 0.945 nan 8.290 nan 0.000 0.513 521 R N -0.078 120.323 120.500 -0.165 0.000 2.590 521 R HA 0.462 4.801 4.340 -0.001 0.000 0.274 521 R C 0.674 176.826 176.300 -0.247 0.000 1.061 521 R CA 0.579 56.517 56.100 -0.269 0.000 1.081 521 R CB 0.386 30.406 30.300 -0.468 0.000 0.984 521 R HN 0.707 nan 8.270 nan 0.000 0.448 522 S N 3.621 119.086 115.700 -0.391 0.000 2.627 522 S HA 0.580 5.050 4.470 -0.001 0.000 0.283 522 S C -1.182 173.243 174.600 -0.292 0.000 1.127 522 S CA -1.024 57.031 58.200 -0.242 0.000 0.863 522 S CB 1.339 64.533 63.200 -0.010 0.000 1.121 522 S HN 0.634 nan 8.310 nan 0.000 0.479 523 W N 0.624 122.025 121.300 0.169 0.000 2.761 523 W HA 0.462 5.121 4.660 -0.001 0.000 0.340 523 W C -1.253 175.354 176.519 0.146 0.000 1.072 523 W CA -0.461 57.014 57.345 0.215 0.000 1.215 523 W CB 2.006 31.718 29.460 0.420 0.000 1.420 523 W HN 0.624 nan 8.180 nan 0.000 0.519 524 D N 1.905 122.535 120.400 0.383 0.000 2.256 524 D HA 0.503 5.142 4.640 -0.001 0.000 0.246 524 D C -0.468 176.089 176.300 0.430 0.000 1.042 524 D CA -0.340 53.858 54.000 0.331 0.000 0.841 524 D CB 2.042 42.995 40.800 0.255 0.000 1.223 524 D HN 0.071 nan 8.370 nan 0.000 0.470 525 I N 3.461 124.235 120.570 0.341 0.000 2.382 525 I HA 0.419 4.588 4.170 -0.001 0.000 0.286 525 I C -0.681 175.634 176.117 0.329 0.000 1.002 525 I CA -0.908 60.544 61.300 0.254 0.000 1.135 525 I CB 0.441 38.522 38.000 0.135 0.000 1.288 525 I HN 0.235 nan 8.210 nan 0.000 0.448 526 F N 3.352 123.384 119.950 0.137 0.000 2.650 526 F HA 0.507 5.033 4.527 -0.001 0.000 0.320 526 F C -0.831 175.029 175.800 0.098 0.000 1.091 526 F CA -1.401 56.672 58.000 0.121 0.000 0.962 526 F CB 1.389 40.441 39.000 0.085 0.000 1.363 526 F HN 0.274 nan 8.300 nan 0.000 0.482 527 N N 2.293 121.129 118.700 0.227 0.000 2.527 527 N HA 0.367 5.106 4.740 -0.001 0.000 0.236 527 N C -2.014 173.620 175.510 0.207 0.000 0.999 527 N CA -2.161 50.951 53.050 0.104 0.000 0.935 527 N CB 1.250 39.789 38.487 0.087 0.000 1.132 527 N HN 0.375 nan 8.380 nan 0.000 0.511 528 P HA -0.071 nan 4.420 nan 0.000 0.234 528 P C -0.181 177.190 177.300 0.118 0.000 1.167 528 P CA 0.873 64.116 63.100 0.238 0.000 0.763 528 P CB 0.261 32.075 31.700 0.190 0.000 0.835 529 N N -0.210 118.532 118.700 0.071 0.000 2.336 529 N HA 0.072 4.812 4.740 -0.001 0.000 0.189 529 N C 0.517 176.041 175.510 0.023 0.000 1.113 529 N CA 0.420 53.492 53.050 0.037 0.000 0.858 529 N CB 0.597 39.095 38.487 0.018 0.000 0.970 529 N HN 0.335 nan 8.380 nan 0.000 0.471 530 K N 0.183 120.600 120.400 0.029 0.000 2.433 530 K HA 0.638 4.957 4.320 -0.001 0.000 0.252 530 K C -1.022 175.577 176.600 -0.001 0.000 1.015 530 K CA -0.742 55.543 56.287 -0.004 0.000 0.860 530 K CB 2.937 35.415 32.500 -0.037 0.000 1.359 530 K HN -0.302 nan 8.250 nan 0.000 0.452 531 V N 0.529 120.426 119.914 -0.028 0.000 2.841 531 V HA 0.293 4.413 4.120 -0.001 0.000 0.310 531 V C -0.728 175.338 176.094 -0.046 0.000 1.090 531 V CA -1.195 61.088 62.300 -0.029 0.000 0.930 531 V CB 1.834 33.644 31.823 -0.021 0.000 1.014 531 V HN 0.749 nan 8.190 nan 0.000 0.425 532 N N 4.817 123.501 118.700 -0.027 0.000 2.470 532 N HA 0.206 4.946 4.740 -0.001 0.000 0.268 532 N C -1.513 173.985 175.510 -0.019 0.000 1.136 532 N CA -1.476 51.560 53.050 -0.024 0.000 0.961 532 N CB 2.121 40.653 38.487 0.074 0.000 1.067 532 N HN 0.406 nan 8.380 nan 0.000 0.468 533 P HA -0.117 nan 4.420 nan 0.000 0.222 533 P C 0.501 177.863 177.300 0.102 0.000 1.147 533 P CA 1.241 64.307 63.100 -0.056 0.000 0.790 533 P CB 0.192 31.789 31.700 -0.171 0.000 0.780 534 Y N 0.854 121.165 120.300 0.018 0.000 2.265 534 Y HA 0.000 4.550 4.550 -0.001 0.000 0.290 534 Y C 2.898 178.816 175.900 0.031 0.000 1.137 534 Y CA 0.939 59.051 58.100 0.020 0.000 1.147 534 Y CB -1.383 37.090 38.460 0.022 0.000 1.104 534 Y HN 0.029 nan 8.280 nan 0.000 0.514 535 S N -0.780 115.075 115.700 0.259 0.000 2.453 535 S HA 0.124 4.593 4.470 -0.001 0.000 0.231 535 S C 1.881 176.529 174.600 0.079 0.000 1.005 535 S CA 0.890 59.201 58.200 0.185 0.000 0.949 535 S CB -0.488 62.919 63.200 0.346 0.000 0.774 535 S HN 0.696 nan 8.310 nan 0.000 0.510 536 G N 0.768 109.603 108.800 0.058 0.000 2.159 536 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.256 536 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.256 536 G C -0.026 174.837 174.900 -0.062 0.000 0.977 536 G CA 0.408 45.508 45.100 0.000 0.000 0.652 536 G HN 0.528 nan 8.290 nan 0.000 0.531 537 K N 0.753 121.083 120.400 -0.118 0.000 2.095 537 K HA 0.601 4.921 4.320 -0.001 0.000 0.252 537 K C -2.214 174.299 176.600 -0.145 0.000 0.977 537 K CA -2.445 53.688 56.287 -0.256 0.000 0.900 537 K CB 1.365 33.444 32.500 -0.702 0.000 1.060 537 K HN 0.142 nan 8.250 nan 0.000 0.449 538 P HA 0.207 nan 4.420 nan 0.000 0.274 538 P C -2.534 174.800 177.300 0.057 0.000 1.237 538 P CA -1.495 61.607 63.100 0.003 0.000 0.793 538 P CB -0.289 31.479 31.700 0.113 0.000 0.977 539 P HA 0.080 nan 4.420 nan 0.000 0.271 539 P C -0.251 177.225 177.300 0.294 0.000 1.218 539 P CA 0.425 63.589 63.100 0.107 0.000 0.780 539 P CB 0.498 32.128 31.700 -0.117 0.000 0.901 540 S N 1.679 117.598 115.700 0.366 0.000 2.611 540 S HA 0.550 5.019 4.470 -0.001 0.000 0.268 540 S C -1.982 172.742 174.600 0.207 0.000 1.156 540 S CA -0.678 57.736 58.200 0.356 0.000 0.817 540 S CB 0.934 64.318 63.200 0.308 0.000 1.122 540 S HN 0.247 nan 8.310 nan 0.000 0.466 541 Y N 1.132 121.486 120.300 0.091 0.000 2.350 541 Y HA 0.597 5.146 4.550 -0.001 0.000 0.338 541 Y C 0.048 175.992 175.900 0.074 0.000 0.961 541 Y CA -0.484 57.619 58.100 0.005 0.000 1.100 541 Y CB 1.956 40.377 38.460 -0.066 0.000 1.179 541 Y HN 0.871 nan 8.280 nan 0.000 0.454 542 K N 4.476 124.911 120.400 0.058 0.000 2.185 542 K HA 0.464 4.783 4.320 -0.001 0.000 0.269 542 K C -1.393 175.261 176.600 0.090 0.000 0.987 542 K CA -0.879 55.465 56.287 0.095 0.000 0.865 542 K CB 0.866 33.400 32.500 0.056 0.000 1.090 542 K HN 0.639 nan 8.250 nan 0.000 0.450 543 L N 5.872 127.165 121.223 0.116 0.000 2.283 543 L HA 0.233 4.572 4.340 -0.001 0.000 0.287 543 L C -1.310 175.647 176.870 0.144 0.000 1.073 543 L CA -0.026 54.852 54.840 0.064 0.000 0.822 543 L CB 1.076 43.119 42.059 -0.026 0.000 1.186 543 L HN 0.389 nan 8.230 nan 0.000 0.436 544 V N 5.065 125.010 119.914 0.052 0.000 2.277 544 V HA 0.471 4.590 4.120 -0.001 0.000 0.269 544 V C 0.118 176.212 176.094 0.000 0.000 1.036 544 V CA -0.177 62.150 62.300 0.045 0.000 0.821 544 V CB 0.606 32.435 31.823 0.009 0.000 1.052 544 V HN 0.849 nan 8.190 nan 0.000 0.462 545 S N 2.848 118.579 115.700 0.051 0.000 2.538 545 S HA 0.606 5.075 4.470 -0.001 0.000 0.288 545 S C 0.360 174.893 174.600 -0.111 0.000 1.108 545 S CA -0.161 58.055 58.200 0.026 0.000 0.971 545 S CB 2.257 65.541 63.200 0.141 0.000 1.041 545 S HN 0.632 nan 8.310 nan 0.000 0.483 546 T N 2.772 117.215 114.554 -0.185 0.000 2.993 546 T HA 0.245 4.594 4.350 -0.001 0.000 0.260 546 T C -0.039 174.562 174.700 -0.166 0.000 0.939 546 T CA 0.156 61.983 62.100 -0.455 0.000 0.886 546 T CB 0.124 68.809 68.868 -0.305 0.000 1.209 546 T HN 0.666 nan 8.240 nan 0.000 0.518 547 Q N 1.304 121.115 119.800 0.017 0.000 3.006 547 Q HA 0.278 4.617 4.340 -0.001 0.000 0.260 547 Q C -0.870 175.261 176.000 0.219 0.000 1.356 547 Q CA -0.263 55.613 55.803 0.122 0.000 1.070 547 Q CB -0.298 28.523 28.738 0.139 0.000 1.507 547 Q HN 0.344 nan 8.270 nan 0.000 0.568 548 C N 2.779 122.212 119.300 0.221 0.000 2.439 548 C HA 0.362 4.822 4.460 -0.001 0.000 0.298 548 C C -2.048 173.093 174.990 0.250 0.000 1.094 548 C CA -1.951 57.236 59.018 0.281 0.000 1.609 548 C CB -0.853 27.136 27.740 0.415 0.000 1.723 548 C HN 0.520 nan 8.230 nan 0.000 0.423 549 P HA 0.261 nan 4.420 nan 0.000 0.271 549 P C -2.219 175.145 177.300 0.106 0.000 1.216 549 P CA -0.744 62.438 63.100 0.138 0.000 0.776 549 P CB 0.083 31.842 31.700 0.098 0.000 0.881 550 P HA 0.122 nan 4.420 nan 0.000 0.274 550 P C -0.672 176.624 177.300 -0.007 0.000 1.231 550 P CA -0.473 62.655 63.100 0.047 0.000 0.790 550 P CB 0.576 32.307 31.700 0.051 0.000 0.951 551 L N 2.976 124.160 121.223 -0.065 0.000 2.433 551 L HA 0.057 4.396 4.340 -0.001 0.000 0.275 551 L C 1.124 177.943 176.870 -0.085 0.000 1.128 551 L CA 0.360 55.133 54.840 -0.112 0.000 0.875 551 L CB -0.659 41.286 42.059 -0.190 0.000 1.171 551 L HN 0.319 nan 8.230 nan 0.000 0.463 552 L N 4.823 126.007 121.223 -0.064 0.000 2.291 552 L HA 0.104 4.443 4.340 -0.001 0.000 0.214 552 L C 1.364 178.198 176.870 -0.059 0.000 1.120 552 L CA 0.393 55.213 54.840 -0.034 0.000 0.799 552 L CB -0.470 41.590 42.059 0.002 0.000 0.925 552 L HN 0.831 nan 8.230 nan 0.000 0.446 553 A N 0.558 123.317 122.820 -0.101 0.000 2.477 553 A HA 0.186 4.506 4.320 -0.001 0.000 0.246 553 A C 0.266 177.775 177.584 -0.125 0.000 1.078 553 A CA -0.238 51.725 52.037 -0.123 0.000 0.770 553 A CB 0.149 19.050 19.000 -0.166 0.000 1.011 553 A HN 0.047 nan 8.150 nan 0.000 0.494 554 K N 1.435 121.768 120.400 -0.112 0.000 2.397 554 K HA 0.113 4.432 4.320 -0.001 0.000 0.265 554 K C 0.294 176.817 176.600 -0.128 0.000 0.982 554 K CA 0.493 56.718 56.287 -0.103 0.000 0.931 554 K CB 0.304 32.751 32.500 -0.088 0.000 0.943 554 K HN 0.774 nan 8.250 nan 0.000 0.501 555 E N 0.190 120.320 120.200 -0.116 0.000 2.383 555 E HA 0.179 4.528 4.350 -0.001 0.000 0.264 555 E C 0.791 177.313 176.600 -0.130 0.000 1.050 555 E CA 0.410 56.733 56.400 -0.129 0.000 0.896 555 E CB 0.465 30.102 29.700 -0.105 0.000 0.982 555 E HN 0.761 nan 8.360 nan 0.000 0.424 556 G N 2.129 110.838 108.800 -0.153 0.000 2.176 556 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.253 556 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.253 556 G C 0.418 175.213 174.900 -0.175 0.000 0.979 556 G CA 0.411 45.418 45.100 -0.154 0.000 0.641 556 G HN 0.690 nan 8.290 nan 0.000 0.530 557 S N -0.323 115.265 115.700 -0.188 0.000 2.614 557 S HA 0.655 5.125 4.470 -0.001 0.000 0.265 557 S C 1.599 176.036 174.600 -0.271 0.000 1.303 557 S CA -0.089 57.989 58.200 -0.204 0.000 1.000 557 S CB 1.632 64.714 63.200 -0.197 0.000 0.935 557 S HN 0.410 nan 8.310 nan 0.000 0.551 558 L N 1.137 122.187 121.223 -0.288 0.000 2.012 558 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 558 L C 2.567 179.155 176.870 -0.469 0.000 1.073 558 L CA 1.426 56.040 54.840 -0.376 0.000 0.748 558 L CB -0.615 41.239 42.059 -0.341 0.000 0.891 558 L HN 0.690 nan 8.230 nan 0.000 0.431 559 V N -0.115 119.510 119.914 -0.481 0.000 2.233 559 V HA -0.330 3.790 4.120 -0.001 0.000 0.247 559 V C 2.697 178.570 176.094 -0.368 0.000 1.050 559 V CA 1.936 63.973 62.300 -0.437 0.000 1.010 559 V CB -0.950 30.673 31.823 -0.334 0.000 0.637 559 V HN 0.550 nan 8.190 nan 0.000 0.444 560 A N -0.735 121.888 122.820 -0.329 0.000 1.978 560 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 560 A C 2.294 179.675 177.584 -0.338 0.000 1.170 560 A CA 1.814 53.657 52.037 -0.322 0.000 0.636 560 A CB -0.383 18.460 19.000 -0.261 0.000 0.810 560 A HN 0.546 nan 8.150 nan 0.000 0.448 561 K N -0.655 119.527 120.400 -0.363 0.000 2.076 561 K HA -0.033 4.286 4.320 -0.001 0.000 0.204 561 K C 2.071 178.356 176.600 -0.524 0.000 1.051 561 K CA 1.113 57.147 56.287 -0.422 0.000 0.949 561 K CB -0.158 32.056 32.500 -0.477 0.000 0.726 561 K HN 0.422 nan 8.250 nan 0.000 0.443 562 R N 0.293 120.493 120.500 -0.500 0.000 2.236 562 R HA 0.052 4.392 4.340 -0.001 0.000 0.208 562 R C 0.676 176.911 176.300 -0.108 0.000 1.036 562 R CA 0.529 56.405 56.100 -0.373 0.000 1.001 562 R CB 0.228 30.408 30.300 -0.201 0.000 0.896 562 R HN -0.005 nan 8.270 nan 0.000 0.464 563 A N 1.687 124.323 122.820 -0.306 0.000 3.165 563 A HA 0.293 4.613 4.320 -0.001 0.000 0.331 563 A C -1.952 175.190 177.584 -0.736 0.000 1.034 563 A CA -1.330 50.347 52.037 -0.599 0.000 0.906 563 A CB 0.499 19.008 19.000 -0.818 0.000 1.054 563 A HN -0.076 nan 8.150 nan 0.000 0.484 564 P HA -0.189 nan 4.420 nan 0.000 0.217 564 P C 1.415 178.574 177.300 -0.236 0.000 1.148 564 P CA 1.303 64.252 63.100 -0.251 0.000 0.828 564 P CB -0.223 31.421 31.700 -0.094 0.000 0.783 565 W N 0.014 121.250 121.300 -0.107 0.000 2.519 565 W HA 0.262 4.921 4.660 -0.001 0.000 0.266 565 W C 1.591 178.087 176.519 -0.039 0.000 1.253 565 W CA 0.597 57.895 57.345 -0.078 0.000 1.274 565 W CB -1.744 27.650 29.460 -0.109 0.000 1.114 565 W HN -0.088 nan 8.180 nan 0.000 0.596 566 A N 1.538 123.898 122.820 -0.767 0.000 2.168 566 A HA -0.075 4.244 4.320 -0.001 0.000 0.215 566 A C 2.025 179.422 177.584 -0.312 0.000 1.152 566 A CA 1.516 53.195 52.037 -0.597 0.000 0.716 566 A CB -0.825 17.559 19.000 -1.026 0.000 0.794 566 A HN 0.279 nan 8.150 nan 0.000 0.465 567 S N -0.749 114.756 115.700 -0.326 0.000 2.561 567 S HA 0.061 4.531 4.470 -0.001 0.000 0.225 567 S C 0.231 174.513 174.600 -0.531 0.000 0.977 567 S CA 0.210 58.167 58.200 -0.404 0.000 0.926 567 S CB -0.320 62.593 63.200 -0.479 0.000 0.769 567 S HN 0.744 nan 8.310 nan 0.000 0.533 568 H N -0.587 118.480 119.070 -0.004 0.000 2.717 568 H HA 0.457 5.012 4.556 -0.001 0.000 0.366 568 H C 0.436 175.818 175.328 0.090 0.000 1.132 568 H CA -0.535 55.542 56.048 0.048 0.000 1.180 568 H CB 1.717 31.491 29.762 0.021 0.000 1.678 568 H HN -0.084 nan 8.280 nan 0.000 0.537 569 S N 0.809 116.672 115.700 0.272 0.000 2.402 569 S HA 0.010 4.480 4.470 -0.001 0.000 0.229 569 S C 0.467 175.142 174.600 0.126 0.000 1.021 569 S CA 0.610 58.947 58.200 0.229 0.000 0.974 569 S CB 0.309 63.760 63.200 0.418 0.000 0.800 569 S HN 0.245 nan 8.310 nan 0.000 0.484 570 V N 2.434 122.368 119.914 0.033 0.000 2.709 570 V HA 0.435 4.555 4.120 -0.001 0.000 0.308 570 V C -1.092 174.884 176.094 -0.196 0.000 1.062 570 V CA -0.957 61.203 62.300 -0.232 0.000 0.901 570 V CB 2.100 33.557 31.823 -0.610 0.000 1.003 570 V HN 0.245 nan 8.190 nan 0.000 0.425 571 N N 3.021 121.587 118.700 -0.223 0.000 2.480 571 N HA 0.490 5.229 4.740 -0.001 0.000 0.289 571 N C -1.478 173.957 175.510 -0.126 0.000 1.073 571 N CA -0.285 52.692 53.050 -0.122 0.000 0.885 571 N CB 2.633 41.151 38.487 0.052 0.000 1.421 571 N HN 0.333 nan 8.380 nan 0.000 0.503 572 V N 2.284 122.107 119.914 -0.150 0.000 2.409 572 V HA 0.481 4.601 4.120 -0.001 0.000 0.291 572 V C 0.323 176.459 176.094 0.070 0.000 1.020 572 V CA -0.736 61.548 62.300 -0.027 0.000 0.848 572 V CB 1.456 33.285 31.823 0.009 0.000 0.990 572 V HN 0.456 nan 8.190 nan 0.000 0.430 573 V N 3.488 123.494 119.914 0.154 0.000 3.074 573 V HA 0.791 4.910 4.120 -0.001 0.000 0.314 573 V C -2.882 173.274 176.094 0.103 0.000 1.117 573 V CA -3.088 59.292 62.300 0.133 0.000 1.014 573 V CB 2.137 34.073 31.823 0.189 0.000 1.057 573 V HN 0.607 nan 8.190 nan 0.000 0.438 574 P HA 0.194 nan 4.420 nan 0.000 0.271 574 P C -1.196 176.102 177.300 -0.005 0.000 1.218 574 P CA 0.161 63.290 63.100 0.049 0.000 0.780 574 P CB 0.062 31.782 31.700 0.033 0.000 0.901 575 Y N 3.143 123.410 120.300 -0.055 0.000 2.411 575 Y HA 0.345 4.894 4.550 -0.001 0.000 0.333 575 Y C 0.166 175.991 175.900 -0.124 0.000 1.186 575 Y CA 0.522 58.560 58.100 -0.103 0.000 1.381 575 Y CB 0.641 39.055 38.460 -0.077 0.000 1.273 575 Y HN 0.262 nan 8.280 nan 0.000 0.546 576 K N 3.714 123.363 120.400 -1.252 0.000 2.542 576 K HA 0.216 4.536 4.320 -0.001 0.000 0.259 576 K C -1.817 174.113 176.600 -1.117 0.000 0.932 576 K CA -0.754 55.026 56.287 -0.845 0.000 0.820 576 K CB 1.225 33.429 32.500 -0.493 0.000 1.345 576 K HN 0.618 nan 8.250 nan 0.000 0.432 577 D N 2.675 122.748 120.400 -0.544 0.000 2.455 577 D HA 0.023 4.662 4.640 -0.001 0.000 0.241 577 D C -0.068 176.040 176.300 -0.319 0.000 1.138 577 D CA 1.030 54.854 54.000 -0.294 0.000 0.877 577 D CB 0.421 41.187 40.800 -0.056 0.000 1.187 577 D HN 0.572 nan 8.370 nan 0.000 0.451 578 N N 1.568 120.101 118.700 -0.278 0.000 2.818 578 N HA -0.218 4.521 4.740 -0.001 0.000 0.250 578 N C -0.418 174.880 175.510 -0.353 0.000 1.108 578 N CA 0.424 53.311 53.050 -0.271 0.000 0.745 578 N CB -0.848 37.525 38.487 -0.189 0.000 1.104 578 N HN 0.461 nan 8.380 nan 0.000 0.557 579 R N 0.883 121.057 120.500 -0.543 0.000 2.755 579 R HA 0.345 4.685 4.340 -0.001 0.000 0.268 579 R C 1.309 177.248 176.300 -0.602 0.000 1.295 579 R CA -0.129 55.465 56.100 -0.843 0.000 1.379 579 R CB 0.307 29.780 30.300 -1.378 0.000 1.170 579 R HN 0.209 nan 8.270 nan 0.000 0.584 580 L N 0.948 121.928 121.223 -0.405 0.000 2.435 580 L HA 0.221 4.560 4.340 -0.001 0.000 0.195 580 L C -0.158 176.503 176.870 -0.348 0.000 1.072 580 L CA 0.253 54.759 54.840 -0.557 0.000 0.833 580 L CB 0.073 41.389 42.059 -1.238 0.000 1.081 580 L HN 0.332 nan 8.230 nan 0.000 0.485 581 Y N 1.528 121.985 120.300 0.261 0.000 2.434 581 Y HA 0.266 4.815 4.550 -0.001 0.000 0.341 581 Y C -1.562 174.367 175.900 0.049 0.000 0.965 581 Y CA -3.320 54.854 58.100 0.123 0.000 1.205 581 Y CB -0.195 38.243 38.460 -0.037 0.000 1.121 581 Y HN -0.047 nan 8.280 nan 0.000 0.507 582 P HA -0.116 nan 4.420 nan 0.000 0.221 582 P C 0.688 177.902 177.300 -0.142 0.000 1.145 582 P CA 1.171 64.026 63.100 -0.408 0.000 0.795 582 P CB 0.498 31.889 31.700 -0.516 0.000 0.775 583 S N -1.084 114.647 115.700 0.052 0.000 2.572 583 S HA 0.471 4.941 4.470 -0.001 0.000 0.228 583 S C 0.825 175.376 174.600 -0.082 0.000 0.963 583 S CA 0.340 58.646 58.200 0.177 0.000 0.939 583 S CB -0.147 63.264 63.200 0.352 0.000 0.804 583 S HN 0.509 nan 8.310 nan 0.000 0.480 584 G N 1.295 109.975 108.800 -0.200 0.000 2.663 584 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.686 584 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.686 584 G C -0.432 174.389 174.900 -0.131 0.000 1.288 584 G CA -0.416 44.510 45.100 -0.289 0.000 0.836 584 G HN 0.185 nan 8.290 nan 0.000 0.584 585 D N -0.123 120.179 120.400 -0.163 0.000 2.149 585 D HA 0.047 4.687 4.640 -0.001 0.000 0.201 585 D C 0.817 176.825 176.300 -0.485 0.000 0.972 585 D CA 1.356 55.210 54.000 -0.244 0.000 0.835 585 D CB 0.012 40.635 40.800 -0.295 0.000 0.966 585 D HN 0.474 nan 8.370 nan 0.000 0.476 586 H N 0.333 119.366 119.070 -0.061 0.000 2.786 586 H HA 0.246 4.801 4.556 -0.001 0.000 0.284 586 H C 0.917 176.218 175.328 -0.046 0.000 1.104 586 H CA -0.293 55.732 56.048 -0.038 0.000 1.339 586 H CB 1.599 31.349 29.762 -0.020 0.000 1.427 586 H HN -0.201 nan 8.280 nan 0.000 0.497 587 V N 3.873 123.815 119.914 0.045 0.000 2.446 587 V HA -0.027 4.092 4.120 -0.001 0.000 0.244 587 V C -1.620 174.568 176.094 0.156 0.000 1.039 587 V CA 0.531 62.887 62.300 0.093 0.000 1.045 587 V CB -0.976 30.870 31.823 0.039 0.000 0.681 587 V HN 0.471 nan 8.190 nan 0.000 0.459 588 P HA 0.040 nan 4.420 nan 0.000 0.262 588 P C 0.254 177.664 177.300 0.184 0.000 1.182 588 P CA 0.749 63.907 63.100 0.097 0.000 0.761 588 P CB 0.057 31.777 31.700 0.033 0.000 0.795 589 Q N -1.847 118.091 119.800 0.229 0.000 2.452 589 Q HA -0.226 4.113 4.340 -0.001 0.000 0.248 589 Q C -0.434 175.852 176.000 0.478 0.000 0.874 589 Q CA 0.489 56.491 55.803 0.332 0.000 1.208 589 Q CB -1.701 27.168 28.738 0.217 0.000 1.569 589 Q HN 0.557 nan 8.270 nan 0.000 0.579 590 W N 1.387 122.790 121.300 0.173 0.000 2.287 590 W HA 0.346 5.005 4.660 -0.001 0.000 0.313 590 W C 1.239 177.694 176.519 -0.107 0.000 1.267 590 W CA -0.182 57.202 57.345 0.066 0.000 1.201 590 W CB 0.595 30.064 29.460 0.015 0.000 1.196 590 W HN 0.106 nan 8.180 nan 0.000 0.536 591 S N 3.568 118.934 115.700 -0.558 0.000 2.453 591 S HA 0.091 4.560 4.470 -0.001 0.000 0.231 591 S C 1.556 175.352 174.600 -1.340 0.000 1.005 591 S CA 1.090 58.490 58.200 -1.333 0.000 0.949 591 S CB -0.427 62.256 63.200 -0.861 0.000 0.774 591 S HN 1.726 nan 8.310 nan 0.000 0.510 592 G N 0.438 107.969 108.800 -2.116 0.000 2.179 592 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.220 592 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.220 592 G C -0.512 173.745 174.900 -1.072 0.000 0.990 592 G CA 0.031 43.856 45.100 -2.124 0.000 0.646 592 G HN 0.556 nan 8.290 nan 0.000 0.517 593 D N 1.153 121.177 120.400 -0.627 0.000 2.249 593 D HA 0.562 5.201 4.640 -0.001 0.000 0.246 593 D C 0.662 177.083 176.300 0.203 0.000 1.114 593 D CA 1.410 55.316 54.000 -0.156 0.000 0.854 593 D CB 1.358 42.084 40.800 -0.123 0.000 1.132 593 D HN 1.311 nan 8.370 nan 0.000 0.461 594 G N 0.304 109.219 108.800 0.192 0.000 2.402 594 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.666 594 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.666 594 G C -1.065 173.945 174.900 0.183 0.000 1.402 594 G CA -0.988 44.247 45.100 0.224 0.000 0.920 594 G HN 0.321 nan 8.290 nan 0.000 0.651 595 V N 2.538 122.493 119.914 0.068 0.000 2.322 595 V HA 0.640 4.759 4.120 -0.001 0.000 0.258 595 V C 0.770 176.825 176.094 -0.065 0.000 1.074 595 V CA 0.572 62.876 62.300 0.006 0.000 0.909 595 V CB -0.242 31.580 31.823 -0.002 0.000 1.090 595 V HN 1.026 nan 8.190 nan 0.000 0.486 596 R N 3.035 123.450 120.500 -0.142 0.000 2.734 596 R HA 0.807 5.147 4.340 -0.001 0.000 0.271 596 R C 0.345 176.373 176.300 -0.454 0.000 1.021 596 R CA -0.129 55.791 56.100 -0.300 0.000 0.893 596 R CB 1.275 31.308 30.300 -0.445 0.000 1.244 596 R HN 0.826 nan 8.270 nan 0.000 0.464 597 G N 1.285 109.705 108.800 -0.634 0.000 2.564 597 G HA2 -0.421 3.539 3.960 -0.001 0.000 0.273 597 G HA3 -0.421 3.539 3.960 -0.001 0.000 0.273 597 G C 0.516 174.397 174.900 -1.698 0.000 1.242 597 G CA 0.728 45.182 45.100 -1.076 0.000 0.951 597 G HN 0.792 nan 8.290 nan 0.000 0.564 598 M N 0.372 119.210 119.600 -1.269 0.000 2.106 598 M HA -0.046 4.433 4.480 -0.001 0.000 0.259 598 M C 2.490 178.523 176.300 -0.445 0.000 1.068 598 M CA 2.942 57.742 55.300 -0.833 0.000 1.100 598 M CB -0.552 31.835 32.600 -0.355 0.000 1.351 598 M HN 0.641 nan 8.290 nan 0.000 0.404 599 R N -0.391 119.924 120.500 -0.309 0.000 2.117 599 R HA -0.229 4.110 4.340 -0.001 0.000 0.243 599 R C 2.234 178.446 176.300 -0.146 0.000 1.143 599 R CA 2.133 58.141 56.100 -0.153 0.000 0.968 599 R CB -0.401 29.859 30.300 -0.067 0.000 0.863 599 R HN 0.685 nan 8.270 nan 0.000 0.444 600 E N -0.618 119.428 120.200 -0.255 0.000 2.072 600 E HA -0.169 4.180 4.350 -0.001 0.000 0.190 600 E C 1.468 178.093 176.600 0.041 0.000 0.982 600 E CA 1.037 57.363 56.400 -0.124 0.000 0.803 600 E CB -0.081 29.529 29.700 -0.150 0.000 0.755 600 E HN 0.410 nan 8.360 nan 0.000 0.453 601 W N 0.820 122.079 121.300 -0.068 0.000 2.363 601 W HA -0.059 4.600 4.660 -0.001 0.000 0.296 601 W C 2.087 178.576 176.519 -0.050 0.000 1.212 601 W CA 0.247 57.550 57.345 -0.069 0.000 1.260 601 W CB -0.884 28.517 29.460 -0.100 0.000 1.131 601 W HN 0.164 nan 8.180 nan 0.000 0.530 602 I N -0.108 120.534 120.570 0.120 0.000 2.252 602 I HA -0.116 4.053 4.170 -0.001 0.000 0.245 602 I C 2.166 178.306 176.117 0.039 0.000 1.102 602 I CA 1.632 62.964 61.300 0.054 0.000 1.385 602 I CB -1.113 36.887 38.000 -0.000 0.000 1.064 602 I HN 0.124 nan 8.210 nan 0.000 0.414 603 G N 2.261 111.079 108.800 0.029 0.000 2.591 603 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.298 603 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.298 603 G C 0.398 175.305 174.900 0.011 0.000 1.195 603 G CA 0.615 45.729 45.100 0.024 0.000 0.989 603 G HN 0.527 nan 8.290 nan 0.000 0.551 604 D N 1.325 121.733 120.400 0.013 0.000 2.325 604 D HA 0.407 5.047 4.640 -0.001 0.000 0.225 604 D C 1.760 178.063 176.300 0.005 0.000 1.096 604 D CA 1.031 55.036 54.000 0.008 0.000 0.844 604 D CB -0.401 40.405 40.800 0.010 0.000 0.925 604 D HN 2.158 nan 8.370 nan 0.000 0.513 605 G N 0.573 109.376 108.800 0.006 0.000 2.166 605 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.260 605 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.260 605 G C 1.049 175.953 174.900 0.006 0.000 0.986 605 G CA 0.951 46.049 45.100 -0.003 0.000 0.683 605 G HN 0.740 nan 8.290 nan 0.000 0.527 606 S N -1.001 114.709 115.700 0.016 0.000 2.535 606 S HA 0.313 4.782 4.470 -0.001 0.000 0.214 606 S C 0.614 175.232 174.600 0.030 0.000 0.980 606 S CA 0.592 58.805 58.200 0.022 0.000 0.907 606 S CB 0.414 63.627 63.200 0.021 0.000 0.790 606 S HN 0.594 nan 8.310 nan 0.000 0.510 607 E N 2.446 122.665 120.200 0.033 0.000 2.373 607 E HA 0.188 4.537 4.350 -0.001 0.000 0.267 607 E C -0.229 176.399 176.600 0.047 0.000 1.032 607 E CA -0.411 56.012 56.400 0.039 0.000 0.889 607 E CB 0.319 30.043 29.700 0.041 0.000 0.984 607 E HN 0.433 nan 8.360 nan 0.000 0.425 608 N N 2.552 121.282 118.700 0.049 0.000 2.492 608 N HA 0.001 4.740 4.740 -0.001 0.000 0.260 608 N C -0.019 175.531 175.510 0.067 0.000 1.215 608 N CA 0.340 53.425 53.050 0.059 0.000 0.923 608 N CB 0.400 38.918 38.487 0.052 0.000 1.092 608 N HN 0.564 nan 8.380 nan 0.000 0.448 609 I N -2.027 118.594 120.570 0.085 0.000 4.026 609 I HA 0.403 4.572 4.170 -0.001 0.000 0.324 609 I C -0.540 175.632 176.117 0.091 0.000 1.474 609 I CA -0.521 60.837 61.300 0.097 0.000 1.107 609 I CB 0.303 38.378 38.000 0.125 0.000 1.345 609 I HN 0.245 nan 8.210 nan 0.000 0.531 610 D N 2.626 123.072 120.400 0.076 0.000 2.329 610 D HA 0.212 4.851 4.640 -0.001 0.000 0.232 610 D C 0.246 176.558 176.300 0.021 0.000 1.088 610 D CA 0.069 54.101 54.000 0.053 0.000 0.835 610 D CB 0.652 41.502 40.800 0.084 0.000 1.078 610 D HN 0.271 nan 8.370 nan 0.000 0.495 611 N N 2.516 121.199 118.700 -0.028 0.000 2.681 611 N HA -0.216 4.523 4.740 -0.001 0.000 0.259 611 N C -1.426 174.082 175.510 -0.004 0.000 1.066 611 N CA 1.274 54.307 53.050 -0.027 0.000 0.717 611 N CB -0.992 37.496 38.487 0.002 0.000 0.885 611 N HN 0.524 nan 8.380 nan 0.000 0.547 612 T N -0.695 113.857 114.554 -0.003 0.000 2.648 612 T HA 0.315 4.664 4.350 -0.001 0.000 0.304 612 T C -1.908 172.800 174.700 0.014 0.000 1.312 612 T CA -0.553 61.555 62.100 0.013 0.000 1.023 612 T CB 0.653 69.540 68.868 0.032 0.000 1.612 612 T HN 0.075 nan 8.240 nan 0.000 0.487 613 D N 2.375 122.792 120.400 0.028 0.000 2.316 613 D HA 0.469 5.108 4.640 -0.001 0.000 0.245 613 D C 0.254 176.616 176.300 0.104 0.000 1.171 613 D CA 0.038 54.054 54.000 0.027 0.000 0.856 613 D CB 0.410 41.208 40.800 -0.004 0.000 1.090 613 D HN 0.626 nan 8.370 nan 0.000 0.476 614 I N -1.844 118.788 120.570 0.102 0.000 3.170 614 I HA 0.625 4.794 4.170 -0.001 0.000 0.312 614 I C -1.088 175.128 176.117 0.165 0.000 1.085 614 I CA -1.166 60.218 61.300 0.141 0.000 0.999 614 I CB 1.909 39.990 38.000 0.136 0.000 1.233 614 I HN 0.024 nan 8.210 nan 0.000 0.467 615 L N 2.363 123.689 121.223 0.171 0.000 2.438 615 L HA 0.465 4.805 4.340 -0.001 0.000 0.270 615 L C -1.565 175.429 176.870 0.206 0.000 0.972 615 L CA -0.375 54.542 54.840 0.129 0.000 0.831 615 L CB 2.356 44.486 42.059 0.118 0.000 1.273 615 L HN 0.523 nan 8.230 nan 0.000 0.405 616 F N 3.780 123.692 119.950 -0.063 0.000 2.375 616 F HA 0.551 5.077 4.527 -0.001 0.000 0.361 616 F C -0.981 174.769 175.800 -0.082 0.000 1.117 616 F CA -0.616 57.395 58.000 0.018 0.000 1.037 616 F CB 0.757 39.753 39.000 -0.005 0.000 1.192 616 F HN 0.110 nan 8.300 nan 0.000 0.452 617 F N 5.271 125.292 119.950 0.117 0.000 2.426 617 F HA 0.287 4.813 4.527 -0.001 0.000 0.348 617 F C -0.312 175.607 175.800 0.198 0.000 1.124 617 F CA -0.719 57.386 58.000 0.174 0.000 1.008 617 F CB 0.911 39.986 39.000 0.124 0.000 1.139 617 F HN 0.433 nan 8.300 nan 0.000 0.452 618 H N 1.465 120.748 119.070 0.355 0.000 2.481 618 H HA 0.484 5.039 4.556 -0.001 0.000 0.333 618 H C -0.874 174.683 175.328 0.381 0.000 1.066 618 H CA -0.573 55.659 56.048 0.305 0.000 1.209 618 H CB 1.262 31.213 29.762 0.316 0.000 1.445 618 H HN 0.509 nan 8.280 nan 0.000 0.488 619 T N 7.590 122.112 114.554 -0.053 0.000 2.744 619 T HA 0.416 4.765 4.350 -0.001 0.000 0.291 619 T C -0.903 173.699 174.700 -0.163 0.000 0.957 619 T CA -0.350 61.772 62.100 0.037 0.000 1.002 619 T CB -0.416 68.582 68.868 0.217 0.000 0.919 619 T HN 0.494 nan 8.240 nan 0.000 0.468 620 F N 0.384 120.265 119.950 -0.115 0.000 2.685 620 F HA 0.960 5.487 4.527 -0.001 0.000 0.315 620 F C 0.099 176.040 175.800 0.236 0.000 1.126 620 F CA -0.851 57.131 58.000 -0.030 0.000 0.950 620 F CB 1.168 40.110 39.000 -0.096 0.000 1.360 620 F HN 0.851 nan 8.300 nan 0.000 0.469 621 G N 0.434 109.387 108.800 0.255 0.000 2.368 621 G HA2 0.463 4.422 3.960 -0.001 0.000 0.269 621 G HA3 0.463 4.422 3.960 -0.001 0.000 0.269 621 G C -2.027 173.022 174.900 0.248 0.000 1.291 621 G CA -0.280 44.993 45.100 0.288 0.000 0.903 621 G HN 1.527 nan 8.290 nan 0.000 0.483 622 I N -3.126 117.581 120.570 0.229 0.000 3.174 622 I HA 0.870 5.039 4.170 -0.001 0.000 0.313 622 I C -0.714 175.452 176.117 0.080 0.000 1.155 622 I CA -1.037 60.350 61.300 0.144 0.000 0.977 622 I CB 2.307 40.374 38.000 0.112 0.000 1.248 622 I HN 0.439 nan 8.210 nan 0.000 0.453 623 T N 1.056 115.612 114.554 0.003 0.000 2.788 623 T HA 0.312 4.661 4.350 -0.001 0.000 0.296 623 T C -0.923 173.608 174.700 -0.283 0.000 1.009 623 T CA -0.114 61.882 62.100 -0.172 0.000 0.949 623 T CB -0.131 68.658 68.868 -0.132 0.000 0.946 623 T HN 0.612 nan 8.240 nan 0.000 0.453 624 H N 3.243 121.953 119.070 -0.599 0.000 2.640 624 H HA 0.367 4.923 4.556 -0.000 0.000 0.297 624 H C -1.028 173.839 175.328 -0.769 0.000 1.073 624 H CA -0.989 54.693 56.048 -0.609 0.000 1.305 624 H CB 0.233 29.587 29.762 -0.680 0.000 1.404 624 H HN 0.413 nan 8.280 nan 0.000 0.459 625 F N 6.765 126.788 119.950 0.121 0.000 2.291 625 F HA 0.271 4.797 4.527 -0.002 0.000 0.368 625 F C -1.928 173.924 175.800 0.086 0.000 1.085 625 F CA -2.585 55.435 58.000 0.033 0.000 1.165 625 F CB 0.698 39.724 39.000 0.044 0.000 1.429 625 F HN 0.538 nan 8.300 nan 0.000 0.503 626 P HA 0.190 nan 4.420 nan 0.000 0.264 626 P C -0.670 176.712 177.300 0.138 0.000 1.179 626 P CA 0.133 63.263 63.100 0.050 0.000 0.763 626 P CB 0.739 32.404 31.700 -0.059 0.000 0.806 627 A N 4.340 127.256 122.820 0.160 0.000 2.515 627 A HA 0.608 4.927 4.320 -0.001 0.000 0.296 627 A C -2.041 175.618 177.584 0.125 0.000 1.094 627 A CA -1.495 50.616 52.037 0.123 0.000 0.718 627 A CB 0.890 19.964 19.000 0.122 0.000 1.307 627 A HN 0.251 nan 8.150 nan 0.000 0.408 628 P HA -0.181 nan 4.420 nan 0.000 0.217 628 P C 0.804 178.206 177.300 0.170 0.000 1.148 628 P CA 1.575 64.762 63.100 0.145 0.000 0.834 628 P CB 0.262 32.035 31.700 0.121 0.000 0.783 629 E N -0.694 119.582 120.200 0.126 0.000 2.267 629 E HA -0.164 4.186 4.350 -0.001 0.000 0.197 629 E C 1.217 177.881 176.600 0.107 0.000 0.998 629 E CA 1.037 57.497 56.400 0.100 0.000 0.830 629 E CB -0.660 29.085 29.700 0.073 0.000 0.751 629 E HN 0.342 nan 8.360 nan 0.000 0.491 630 D N -1.025 119.469 120.400 0.158 0.000 2.340 630 D HA 0.007 4.646 4.640 -0.001 0.000 0.220 630 D C -0.377 176.054 176.300 0.219 0.000 1.039 630 D CA 0.307 54.409 54.000 0.170 0.000 0.866 630 D CB 0.151 41.103 40.800 0.253 0.000 0.913 630 D HN 0.052 nan 8.370 nan 0.000 0.523 631 F N 1.140 121.102 119.950 0.020 0.000 2.522 631 F HA 0.330 4.857 4.527 -0.001 0.000 0.324 631 F C -1.733 174.064 175.800 -0.006 0.000 1.077 631 F CA -2.417 55.584 58.000 0.002 0.000 0.944 631 F CB 2.130 41.148 39.000 0.030 0.000 1.175 631 F HN -0.300 nan 8.300 nan 0.000 0.468 632 P HA 0.093 nan 4.420 nan 0.000 0.245 632 P C -0.531 176.435 177.300 -0.557 0.000 1.206 632 P CA 0.791 63.152 63.100 -1.232 0.000 0.781 632 P CB 0.986 32.155 31.700 -0.885 0.000 0.994 633 L N 0.957 121.926 121.223 -0.423 0.000 2.439 633 L HA 0.464 4.803 4.340 -0.001 0.000 0.270 633 L C -0.418 176.293 176.870 -0.265 0.000 0.972 633 L CA -1.204 53.332 54.840 -0.508 0.000 0.836 633 L CB 2.420 43.944 42.059 -0.891 0.000 1.255 633 L HN -0.126 nan 8.230 nan 0.000 0.404 634 M N 5.848 125.338 119.600 -0.183 0.000 2.233 634 M HA 0.576 5.055 4.480 -0.001 0.000 0.355 634 M C -2.508 173.722 176.300 -0.117 0.000 1.191 634 M CA -1.315 53.930 55.300 -0.091 0.000 1.101 634 M CB 1.231 33.826 32.600 -0.008 0.000 1.592 634 M HN 0.213 nan 8.290 nan 0.000 0.461 635 P HA 0.177 nan 4.420 nan 0.000 0.271 635 P C -0.785 176.459 177.300 -0.093 0.000 1.216 635 P CA -0.161 62.888 63.100 -0.086 0.000 0.776 635 P CB 0.570 32.236 31.700 -0.057 0.000 0.881 636 A N 2.426 125.190 122.820 -0.094 0.000 2.565 636 A HA 0.006 4.326 4.320 -0.001 0.000 0.237 636 A C 0.373 177.896 177.584 -0.100 0.000 1.053 636 A CA 0.393 52.370 52.037 -0.100 0.000 0.755 636 A CB -0.529 18.426 19.000 -0.075 0.000 0.980 636 A HN 0.606 nan 8.150 nan 0.000 0.506 637 E N 3.164 123.288 120.200 -0.126 0.000 2.158 637 E HA 0.503 4.853 4.350 -0.001 0.000 0.271 637 E C -2.647 173.892 176.600 -0.102 0.000 0.911 637 E CA -2.262 54.063 56.400 -0.125 0.000 0.767 637 E CB 1.737 31.325 29.700 -0.188 0.000 1.120 637 E HN 0.507 nan 8.360 nan 0.000 0.405 638 P HA 0.388 nan 4.420 nan 0.000 0.286 638 P C -0.783 176.488 177.300 -0.048 0.000 1.261 638 P CA -0.360 62.701 63.100 -0.065 0.000 0.821 638 P CB 1.337 32.995 31.700 -0.068 0.000 1.013 639 I N 0.430 120.970 120.570 -0.050 0.000 2.656 639 I HA 0.464 4.634 4.170 -0.001 0.000 0.292 639 I C -0.072 175.995 176.117 -0.083 0.000 1.144 639 I CA -0.380 60.907 61.300 -0.021 0.000 1.038 639 I CB 2.621 40.641 38.000 0.033 0.000 1.244 639 I HN 0.272 nan 8.210 nan 0.000 0.420 640 T N 6.460 120.951 114.554 -0.105 0.000 2.864 640 T HA 0.817 5.166 4.350 -0.001 0.000 0.299 640 T C -1.851 172.701 174.700 -0.247 0.000 1.166 640 T CA -0.547 61.440 62.100 -0.189 0.000 1.007 640 T CB 1.867 70.646 68.868 -0.148 0.000 1.219 640 T HN 0.636 nan 8.240 nan 0.000 0.506 641 L N 2.924 123.962 121.223 -0.308 0.000 2.612 641 L HA 0.799 5.139 4.340 -0.001 0.000 0.256 641 L C -2.112 174.613 176.870 -0.241 0.000 0.949 641 L CA -0.945 53.713 54.840 -0.303 0.000 0.867 641 L CB 2.148 43.890 42.059 -0.527 0.000 1.417 641 L HN 0.942 nan 8.230 nan 0.000 0.414 642 M N 3.332 122.835 119.600 -0.161 0.000 2.593 642 M HA 0.616 5.095 4.480 -0.001 0.000 0.290 642 M C -2.209 174.060 176.300 -0.051 0.000 1.244 642 M CA -0.642 54.594 55.300 -0.108 0.000 0.857 642 M CB 2.583 35.140 32.600 -0.072 0.000 1.738 642 M HN 0.696 nan 8.290 nan 0.000 0.461 643 L N 3.964 125.200 121.223 0.022 0.000 2.417 643 L HA 0.523 4.862 4.340 -0.001 0.000 0.259 643 L C -0.925 176.058 176.870 0.188 0.000 1.023 643 L CA -0.520 54.411 54.840 0.153 0.000 0.901 643 L CB 1.291 43.522 42.059 0.287 0.000 1.227 643 L HN 0.702 nan 8.230 nan 0.000 0.454 644 R N 2.914 123.413 120.500 -0.002 0.000 2.404 644 R HA 0.522 4.861 4.340 -0.001 0.000 0.291 644 R C -2.599 173.351 176.300 -0.583 0.000 1.025 644 R CA -1.927 54.066 56.100 -0.179 0.000 0.991 644 R CB 0.407 30.648 30.300 -0.097 0.000 1.053 644 R HN 0.157 nan 8.270 nan 0.000 0.479 645 P HA 0.158 nan 4.420 nan 0.000 0.282 645 P C -0.957 176.126 177.300 -0.361 0.000 1.262 645 P CA -0.343 62.138 63.100 -1.031 0.000 0.773 645 P CB 0.934 32.163 31.700 -0.786 0.000 0.879 646 R N 3.230 123.596 120.500 -0.222 0.000 2.483 646 R HA 0.285 4.625 4.340 -0.001 0.000 0.303 646 R C 0.476 176.791 176.300 0.025 0.000 0.987 646 R CA -0.641 55.388 56.100 -0.118 0.000 0.881 646 R CB 0.140 30.435 30.300 -0.008 0.000 1.177 646 R HN 0.662 nan 8.270 nan 0.000 0.451 647 H N 0.826 119.908 119.070 0.021 0.000 3.428 647 H HA -0.215 4.340 4.556 -0.001 0.000 0.204 647 H C 0.722 176.044 175.328 -0.011 0.000 1.078 647 H CA 1.113 57.170 56.048 0.015 0.000 1.183 647 H CB -1.188 28.574 29.762 -0.000 0.000 1.132 647 H HN 0.514 nan 8.280 nan 0.000 0.323 648 F N 0.600 120.459 119.950 -0.153 0.000 2.118 648 F HA 0.121 4.647 4.527 -0.001 0.000 0.293 648 F C 1.079 176.626 175.800 -0.421 0.000 1.102 648 F CA 0.919 58.711 58.000 -0.347 0.000 1.247 648 F CB 0.165 38.801 39.000 -0.606 0.000 1.017 648 F HN -0.057 nan 8.300 nan 0.000 0.475 649 F N -0.523 119.467 119.950 0.067 0.000 2.457 649 F HA 0.263 4.789 4.527 -0.001 0.000 0.330 649 F C 1.608 177.371 175.800 -0.061 0.000 1.069 649 F CA -0.220 57.765 58.000 -0.026 0.000 1.009 649 F CB 0.515 39.507 39.000 -0.012 0.000 1.276 649 F HN -0.242 nan 8.300 nan 0.000 0.492 650 T N -3.169 111.463 114.554 0.130 0.000 3.069 650 T HA 0.264 4.613 4.350 -0.001 0.000 0.252 650 T C -0.191 174.613 174.700 0.172 0.000 1.053 650 T CA 0.087 62.185 62.100 -0.004 0.000 0.964 650 T CB -0.552 68.085 68.868 -0.386 0.000 1.005 650 T HN 0.731 nan 8.240 nan 0.000 0.532 651 E N 0.263 120.545 120.200 0.136 0.000 2.403 651 E HA 0.238 4.587 4.350 -0.001 0.000 0.280 651 E C -1.497 175.090 176.600 -0.022 0.000 1.101 651 E CA -1.144 55.301 56.400 0.075 0.000 0.856 651 E CB 0.063 29.811 29.700 0.080 0.000 1.303 651 E HN -0.106 nan 8.360 nan 0.000 0.441 652 N N 2.308 120.959 118.700 -0.082 0.000 2.301 652 N HA -0.013 4.726 4.740 -0.001 0.000 0.267 652 N C -1.361 174.031 175.510 -0.196 0.000 1.304 652 N CA -1.009 51.950 53.050 -0.151 0.000 0.851 652 N CB 0.769 39.124 38.487 -0.219 0.000 1.070 652 N HN 0.420 nan 8.380 nan 0.000 0.483 653 P HA 0.076 nan 4.420 nan 0.000 0.241 653 P C 0.641 177.835 177.300 -0.178 0.000 1.191 653 P CA 0.566 63.387 63.100 -0.464 0.000 0.771 653 P CB 0.119 31.085 31.700 -1.224 0.000 0.929 654 G N -0.335 108.448 108.800 -0.028 0.000 3.434 654 G HA2 0.116 4.075 3.960 -0.001 0.000 0.258 654 G HA3 0.116 4.075 3.960 -0.001 0.000 0.258 654 G C 1.163 176.215 174.900 0.253 0.000 1.128 654 G CA -0.178 44.998 45.100 0.126 0.000 0.792 654 G HN 0.158 nan 8.290 nan 0.000 0.539 655 L N 0.869 122.156 121.223 0.107 0.000 2.275 655 L HA -0.003 4.336 4.340 -0.001 0.000 0.215 655 L C 1.899 178.843 176.870 0.123 0.000 1.119 655 L CA 1.047 55.937 54.840 0.084 0.000 0.790 655 L CB 0.016 42.038 42.059 -0.061 0.000 0.919 655 L HN 0.286 nan 8.230 nan 0.000 0.443 656 D N -0.400 120.066 120.400 0.110 0.000 2.325 656 D HA 0.040 4.679 4.640 -0.001 0.000 0.225 656 D C 0.564 176.905 176.300 0.069 0.000 1.096 656 D CA 0.001 54.056 54.000 0.093 0.000 0.844 656 D CB -0.178 40.705 40.800 0.138 0.000 0.925 656 D HN 0.189 nan 8.370 nan 0.000 0.513 657 I N 1.270 121.893 120.570 0.088 0.000 2.428 657 I HA 0.022 4.191 4.170 -0.001 0.000 0.289 657 I C 0.634 176.779 176.117 0.046 0.000 1.019 657 I CA -0.731 60.592 61.300 0.038 0.000 1.351 657 I CB 1.103 39.114 38.000 0.017 0.000 1.412 657 I HN -0.222 nan 8.210 nan 0.000 0.513 658 Q N 7.448 127.258 119.800 0.017 0.000 2.239 658 Q HA 0.118 4.457 4.340 -0.001 0.000 0.286 658 Q C -2.068 173.941 176.000 0.016 0.000 1.102 658 Q CA -1.240 54.573 55.803 0.017 0.000 0.936 658 Q CB 0.097 28.838 28.738 0.005 0.000 1.127 658 Q HN 0.296 nan 8.270 nan 0.000 0.380 659 P HA 0.038 nan 4.420 nan 0.000 0.269 659 P C 0.256 177.572 177.300 0.027 0.000 1.215 659 P CA -0.004 63.117 63.100 0.036 0.000 0.780 659 P CB 0.822 32.562 31.700 0.066 0.000 0.898 660 S N -0.071 115.653 115.700 0.040 0.000 2.395 660 S HA -0.023 4.446 4.470 -0.001 0.000 0.225 660 S C 0.292 174.978 174.600 0.143 0.000 1.027 660 S CA 1.039 59.280 58.200 0.068 0.000 0.965 660 S CB -0.425 62.810 63.200 0.058 0.000 0.812 660 S HN 0.638 nan 8.310 nan 0.000 0.482 661 Y N -0.335 119.973 120.300 0.013 0.000 2.544 661 Y HA 0.596 5.145 4.550 -0.001 0.000 0.342 661 Y C -1.578 174.342 175.900 0.034 0.000 1.062 661 Y CA -1.049 57.063 58.100 0.020 0.000 1.023 661 Y CB 1.327 39.797 38.460 0.017 0.000 1.308 661 Y HN -0.060 nan 8.280 nan 0.000 0.457 662 A N 6.053 128.350 122.820 -0.871 0.000 2.500 662 A HA 0.625 4.944 4.320 -0.001 0.000 0.291 662 A C -1.983 175.262 177.584 -0.564 0.000 1.048 662 A CA -0.426 51.331 52.037 -0.466 0.000 0.791 662 A CB 0.948 19.837 19.000 -0.185 0.000 1.309 662 A HN 0.848 nan 8.150 nan 0.000 0.397 663 M N 2.672 122.100 119.600 -0.287 0.000 2.197 663 M HA 0.557 5.036 4.480 -0.001 0.000 0.301 663 M C -0.410 175.875 176.300 -0.025 0.000 0.987 663 M CA 0.145 55.368 55.300 -0.129 0.000 0.921 663 M CB 1.876 34.504 32.600 0.046 0.000 1.569 663 M HN 0.630 nan 8.290 nan 0.000 0.431 664 T N 2.597 117.132 114.554 -0.032 0.000 2.849 664 T HA 0.215 4.565 4.350 -0.001 0.000 0.284 664 T C 1.046 175.746 174.700 -0.001 0.000 1.004 664 T CA -0.143 61.950 62.100 -0.011 0.000 1.021 664 T CB 1.267 70.122 68.868 -0.020 0.000 1.013 664 T HN 0.856 nan 8.240 nan 0.000 0.527 665 T N 1.803 116.356 114.554 -0.002 0.000 2.708 665 T HA -0.131 4.218 4.350 -0.001 0.000 0.266 665 T C 2.367 177.060 174.700 -0.012 0.000 1.037 665 T CA 1.785 63.880 62.100 -0.009 0.000 1.146 665 T CB -0.423 68.433 68.868 -0.019 0.000 0.865 665 T HN 0.759 nan 8.240 nan 0.000 0.435 666 S N 1.756 117.448 115.700 -0.013 0.000 2.368 666 S HA -0.134 4.335 4.470 -0.001 0.000 0.225 666 S C 1.883 176.477 174.600 -0.010 0.000 1.030 666 S CA 1.206 59.398 58.200 -0.013 0.000 0.999 666 S CB -0.495 62.697 63.200 -0.014 0.000 0.844 666 S HN 0.593 nan 8.310 nan 0.000 0.459 667 E N 1.718 121.912 120.200 -0.010 0.000 2.153 667 E HA -0.027 4.322 4.350 -0.001 0.000 0.194 667 E C 2.345 178.946 176.600 0.002 0.000 0.988 667 E CA 0.988 57.382 56.400 -0.009 0.000 0.811 667 E CB -0.401 29.287 29.700 -0.019 0.000 0.746 667 E HN 0.757 nan 8.360 nan 0.000 0.466 668 A N 1.269 124.094 122.820 0.007 0.000 2.014 668 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 668 A C 1.894 179.482 177.584 0.006 0.000 1.163 668 A CA 1.040 53.087 52.037 0.018 0.000 0.652 668 A CB -0.092 18.921 19.000 0.021 0.000 0.808 668 A HN 0.022 nan 8.150 nan 0.000 0.449 669 K N -0.614 119.785 120.400 -0.003 0.000 2.044 669 K HA -0.027 4.293 4.320 -0.001 0.000 0.204 669 K C 2.303 178.901 176.600 -0.003 0.000 1.049 669 K CA 1.048 57.331 56.287 -0.007 0.000 0.945 669 K CB -0.142 32.351 32.500 -0.012 0.000 0.724 669 K HN 0.349 nan 8.250 nan 0.000 0.440 670 R N 0.539 121.037 120.500 -0.003 0.000 2.083 670 R HA -0.117 4.222 4.340 -0.001 0.000 0.237 670 R C 2.206 178.508 176.300 0.003 0.000 1.137 670 R CA 1.453 57.552 56.100 -0.001 0.000 0.951 670 R CB -0.414 29.885 30.300 -0.002 0.000 0.851 670 R HN 0.172 nan 8.270 nan 0.000 0.434 671 A N 0.826 123.651 122.820 0.008 0.000 2.234 671 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 671 A C 0.716 178.307 177.584 0.011 0.000 1.167 671 A CA 0.783 52.828 52.037 0.014 0.000 0.698 671 A CB -0.255 18.761 19.000 0.026 0.000 0.779 671 A HN 0.158 nan 8.150 nan 0.000 0.475 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 672 V CA 0.000 62.301 62.300 0.001 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556