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_D 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 0.000 177.302 177.300 0.003 0.000 1.155 18 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 18 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 19 A N 0.363 123.185 122.820 0.003 0.000 2.290 19 A HA 0.660 4.986 4.320 0.010 0.000 0.310 19 A C 0.214 177.805 177.584 0.012 0.000 1.202 19 A CA -0.509 51.532 52.037 0.008 0.000 0.837 19 A CB 0.218 19.222 19.000 0.008 0.000 1.139 19 A HN 0.426 nan 8.150 nan 0.000 0.509 20 R N 2.246 122.754 120.500 0.013 0.000 2.698 20 R HA 0.239 4.585 4.340 0.010 0.000 0.266 20 R C -1.928 174.387 176.300 0.026 0.000 1.026 20 R CA -0.556 55.551 56.100 0.013 0.000 1.102 20 R CB -0.018 30.286 30.300 0.006 0.000 0.978 20 R HN 0.615 nan 8.270 nan 0.000 0.436 21 P HA 0.111 nan 4.420 nan 0.000 0.279 21 P C -0.342 177.004 177.300 0.078 0.000 1.276 21 P CA -0.356 62.781 63.100 0.062 0.000 0.801 21 P CB 0.909 32.657 31.700 0.081 0.000 1.127 22 A N -0.170 122.721 122.820 0.119 0.000 1.930 22 A HA -0.109 4.218 4.320 0.010 0.000 0.217 22 A C 1.039 178.741 177.584 0.195 0.000 1.175 22 A CA 1.420 53.546 52.037 0.148 0.000 0.627 22 A CB -1.211 17.887 19.000 0.163 0.000 0.815 22 A HN 0.783 nan 8.150 nan 0.000 0.443 23 H N -2.094 117.040 119.070 0.107 0.000 2.600 23 H HA 0.428 4.990 4.556 0.010 0.000 0.357 23 H C -2.307 172.991 175.328 -0.050 0.000 1.106 23 H CA -2.010 54.094 56.048 0.094 0.000 1.193 23 H CB 2.057 31.960 29.762 0.236 0.000 1.594 23 H HN -0.091 nan 8.280 nan 0.000 0.526 24 P HA -0.140 nan 4.420 nan 0.000 0.223 24 P C 0.665 177.982 177.300 0.028 0.000 1.144 24 P CA 1.190 64.169 63.100 -0.201 0.000 0.783 24 P CB 0.277 31.645 31.700 -0.553 0.000 0.771 25 L N -2.052 119.300 121.223 0.214 0.000 2.607 25 L HA 0.147 4.493 4.340 0.010 0.000 0.228 25 L C 0.327 177.123 176.870 -0.124 0.000 1.123 25 L CA -0.188 54.558 54.840 -0.155 0.000 0.890 25 L CB -0.403 41.296 42.059 -0.600 0.000 1.103 25 L HN -0.134 nan 8.230 nan 0.000 0.468 26 D N 1.831 122.298 120.400 0.112 0.000 2.443 26 D HA 0.111 4.757 4.640 0.010 0.000 0.239 26 D C -2.028 174.378 176.300 0.176 0.000 1.136 26 D CA -0.981 53.170 54.000 0.252 0.000 0.879 26 D CB 0.709 41.652 40.800 0.238 0.000 1.195 26 D HN -0.063 nan 8.370 nan 0.000 0.443 27 P HA 0.046 nan 4.420 nan 0.000 0.271 27 P C 0.067 177.468 177.300 0.168 0.000 1.233 27 P CA -0.287 62.933 63.100 0.200 0.000 0.789 27 P CB 0.556 32.403 31.700 0.246 0.000 0.951 28 L N 0.527 121.849 121.223 0.164 0.000 2.456 28 L HA 0.094 4.440 4.340 0.010 0.000 0.272 28 L C 1.293 178.219 176.870 0.092 0.000 1.189 28 L CA -0.012 54.899 54.840 0.118 0.000 0.846 28 L CB -0.019 42.111 42.059 0.118 0.000 1.111 28 L HN 0.500 nan 8.230 nan 0.000 0.475 29 S N -0.351 115.365 115.700 0.027 0.000 2.634 29 S HA 0.093 4.569 4.470 0.010 0.000 0.261 29 S C 1.228 175.754 174.600 -0.123 0.000 1.271 29 S CA -0.156 58.002 58.200 -0.071 0.000 0.985 29 S CB 1.182 64.346 63.200 -0.060 0.000 0.968 29 S HN 0.779 nan 8.310 nan 0.000 0.568 30 T N -2.131 112.261 114.554 -0.270 0.000 2.915 30 T HA -0.005 4.352 4.350 0.010 0.000 0.269 30 T C 1.821 176.460 174.700 -0.102 0.000 1.071 30 T CA 0.870 62.853 62.100 -0.195 0.000 1.132 30 T CB -0.848 67.875 68.868 -0.241 0.000 0.878 30 T HN 0.822 nan 8.240 nan 0.000 0.479 31 A N 1.936 124.701 122.820 -0.091 0.000 1.897 31 A HA 0.004 4.331 4.320 0.010 0.000 0.215 31 A C 2.329 179.890 177.584 -0.037 0.000 1.181 31 A CA 1.277 53.281 52.037 -0.055 0.000 0.620 31 A CB -0.541 18.433 19.000 -0.045 0.000 0.821 31 A HN 0.617 nan 8.150 nan 0.000 0.443 32 E N -0.249 119.935 120.200 -0.025 0.000 2.106 32 E HA -0.127 4.229 4.350 0.010 0.000 0.192 32 E C 1.847 178.443 176.600 -0.007 0.000 0.984 32 E CA 1.087 57.485 56.400 -0.004 0.000 0.806 32 E CB -0.283 29.427 29.700 0.017 0.000 0.750 32 E HN 0.685 nan 8.360 nan 0.000 0.458 33 I N 1.091 121.655 120.570 -0.011 0.000 2.226 33 I HA -0.278 3.898 4.170 0.010 0.000 0.245 33 I C 2.471 178.540 176.117 -0.080 0.000 1.100 33 I CA 1.055 62.343 61.300 -0.021 0.000 1.374 33 I CB -0.107 37.894 38.000 0.002 0.000 1.057 33 I HN -0.023 nan 8.210 nan 0.000 0.413 34 K N 1.435 121.791 120.400 -0.074 0.000 2.057 34 K HA -0.056 4.270 4.320 0.010 0.000 0.206 34 K C 2.054 178.607 176.600 -0.078 0.000 1.050 34 K CA 1.540 57.773 56.287 -0.090 0.000 0.935 34 K CB -0.334 32.128 32.500 -0.064 0.000 0.715 34 K HN 0.251 nan 8.250 nan 0.000 0.439 35 A N 0.364 123.155 122.820 -0.049 0.000 1.972 35 A HA -0.030 4.296 4.320 0.010 0.000 0.219 35 A C 2.291 179.854 177.584 -0.034 0.000 1.169 35 A CA 1.869 53.887 52.037 -0.031 0.000 0.635 35 A CB -0.852 18.139 19.000 -0.015 0.000 0.810 35 A HN 0.413 nan 8.150 nan 0.000 0.446 36 A N -0.201 122.592 122.820 -0.045 0.000 1.854 36 A HA -0.055 4.271 4.320 0.010 0.000 0.214 36 A C 2.475 180.000 177.584 -0.099 0.000 1.192 36 A CA 2.393 54.404 52.037 -0.042 0.000 0.611 36 A CB -1.416 17.578 19.000 -0.010 0.000 0.832 36 A HN 0.756 nan 8.150 nan 0.000 0.442 37 T N -1.647 112.772 114.554 -0.224 0.000 2.788 37 T HA -0.168 4.188 4.350 0.010 0.000 0.268 37 T C 1.649 176.294 174.700 -0.091 0.000 1.044 37 T CA 1.630 63.480 62.100 -0.418 0.000 1.139 37 T CB -0.585 67.768 68.868 -0.858 0.000 0.867 37 T HN 0.345 nan 8.240 nan 0.000 0.454 38 N N 1.283 119.943 118.700 -0.067 0.000 2.120 38 N HA -0.036 4.710 4.740 0.010 0.000 0.188 38 N C 2.107 177.635 175.510 0.030 0.000 1.024 38 N CA 1.787 54.837 53.050 0.001 0.000 0.852 38 N CB -1.043 37.437 38.487 -0.012 0.000 1.003 38 N HN 0.512 nan 8.380 nan 0.000 0.424 39 T N 0.487 115.046 114.554 0.007 0.000 2.788 39 T HA -0.043 4.313 4.350 0.010 0.000 0.268 39 T C 2.089 176.803 174.700 0.024 0.000 1.044 39 T CA 0.820 62.927 62.100 0.012 0.000 1.139 39 T CB -0.255 68.609 68.868 -0.007 0.000 0.867 39 T HN -0.019 nan 8.240 nan 0.000 0.454 40 V N 1.442 121.368 119.914 0.021 0.000 2.379 40 V HA -0.113 4.013 4.120 0.010 0.000 0.245 40 V C 2.473 178.715 176.094 0.246 0.000 1.044 40 V CA 1.369 63.696 62.300 0.043 0.000 1.036 40 V CB -0.421 31.372 31.823 -0.051 0.000 0.664 40 V HN 0.452 nan 8.190 nan 0.000 0.453 41 K N 0.078 120.643 120.400 0.274 0.000 2.103 41 K HA -0.158 4.168 4.320 0.010 0.000 0.207 41 K C 2.406 179.100 176.600 0.157 0.000 1.048 41 K CA 1.745 58.179 56.287 0.245 0.000 0.930 41 K CB -0.316 32.313 32.500 0.214 0.000 0.716 41 K HN 0.380 nan 8.250 nan 0.000 0.444 42 S N 0.445 116.207 115.700 0.103 0.000 2.368 42 S HA -0.142 4.334 4.470 0.010 0.000 0.224 42 S C 1.728 176.326 174.600 -0.003 0.000 1.029 42 S CA 0.828 59.056 58.200 0.046 0.000 0.988 42 S CB -0.348 62.872 63.200 0.034 0.000 0.838 42 S HN 0.325 nan 8.310 nan 0.000 0.462 43 Y N 1.188 121.386 120.300 -0.170 0.000 2.165 43 Y HA -0.106 4.449 4.550 0.009 0.000 0.286 43 Y C 0.606 176.190 175.900 -0.527 0.000 1.155 43 Y CA 1.361 59.227 58.100 -0.390 0.000 1.164 43 Y CB -0.146 37.968 38.460 -0.577 0.000 0.978 43 Y HN 0.189 nan 8.280 nan 0.000 0.513 44 F N 0.818 120.823 119.950 0.091 0.000 2.987 44 F HA 0.442 4.975 4.527 0.009 0.000 0.302 44 F C 0.732 176.521 175.800 -0.019 0.000 1.221 44 F CA -0.551 57.457 58.000 0.013 0.000 1.307 44 F CB -0.808 38.217 39.000 0.041 0.000 1.108 44 F HN -0.008 nan 8.300 nan 0.000 0.521 45 A N 0.264 123.100 122.820 0.027 0.000 2.548 45 A HA 0.414 4.741 4.320 0.010 0.000 0.247 45 A C 1.530 179.131 177.584 0.029 0.000 1.067 45 A CA 0.875 52.925 52.037 0.022 0.000 0.757 45 A CB -0.553 18.432 19.000 -0.026 0.000 0.996 45 A HN 1.151 nan 8.150 nan 0.000 0.504 46 G N 1.927 110.749 108.800 0.037 0.000 2.199 46 G HA2 -0.201 3.765 3.960 0.010 0.000 0.254 46 G HA3 -0.201 3.765 3.960 0.010 0.000 0.254 46 G C 0.224 175.146 174.900 0.036 0.000 0.982 46 G CA 0.518 45.635 45.100 0.028 0.000 0.632 46 G HN 0.780 nan 8.290 nan 0.000 0.529 47 K N 0.400 120.838 120.400 0.063 0.000 2.159 47 K HA 0.421 4.747 4.320 0.010 0.000 0.266 47 K C -0.146 176.463 176.600 0.015 0.000 0.975 47 K CA -0.808 55.507 56.287 0.047 0.000 0.865 47 K CB 2.014 34.569 32.500 0.092 0.000 1.087 47 K HN 0.149 nan 8.250 nan 0.000 0.446 48 K N 4.378 124.768 120.400 -0.016 0.000 2.111 48 K HA 0.139 4.465 4.320 0.010 0.000 0.249 48 K C 0.229 176.780 176.600 -0.082 0.000 1.157 48 K CA -0.208 56.060 56.287 -0.032 0.000 1.048 48 K CB -0.371 32.114 32.500 -0.025 0.000 1.498 48 K HN 0.560 nan 8.250 nan 0.000 0.344 49 I N -0.461 120.039 120.570 -0.118 0.000 2.664 49 I HA 0.515 4.691 4.170 0.010 0.000 0.308 49 I C -0.388 175.582 176.117 -0.246 0.000 0.984 49 I CA -0.621 60.532 61.300 -0.245 0.000 1.213 49 I CB 1.936 39.700 38.000 -0.393 0.000 1.379 49 I HN 0.360 nan 8.210 nan 0.000 0.501 50 S N 3.956 119.470 115.700 -0.309 0.000 2.541 50 S HA 0.638 5.114 4.470 0.010 0.000 0.280 50 S C -1.092 173.322 174.600 -0.309 0.000 1.112 50 S CA -0.645 57.438 58.200 -0.196 0.000 0.925 50 S CB 1.268 64.420 63.200 -0.079 0.000 1.067 50 S HN 0.508 nan 8.310 nan 0.000 0.479 51 F N 3.516 123.454 119.950 -0.020 0.000 2.404 51 F HA 0.464 4.997 4.527 0.010 0.000 0.345 51 F C 1.736 177.531 175.800 -0.009 0.000 1.110 51 F CA -0.571 57.423 58.000 -0.009 0.000 1.130 51 F CB 1.292 40.294 39.000 0.004 0.000 1.129 51 F HN 0.840 nan 8.300 nan 0.000 0.500 52 N N 0.893 119.677 118.700 0.140 0.000 2.510 52 N HA 0.030 4.776 4.740 0.010 0.000 0.186 52 N C -0.444 175.126 175.510 0.100 0.000 1.051 52 N CA 0.640 53.742 53.050 0.086 0.000 0.877 52 N CB 0.690 39.204 38.487 0.045 0.000 1.183 52 N HN 0.562 nan 8.380 nan 0.000 0.443 53 T N 0.607 115.207 114.554 0.077 0.000 3.105 53 T HA 0.403 4.759 4.350 0.010 0.000 0.321 53 T C -1.440 173.258 174.700 -0.002 0.000 1.135 53 T CA -0.462 61.596 62.100 -0.069 0.000 1.053 53 T CB 2.443 71.135 68.868 -0.294 0.000 1.133 53 T HN -0.141 nan 8.240 nan 0.000 0.463 54 V N 2.865 122.787 119.914 0.013 0.000 2.445 54 V HA 0.743 4.869 4.120 0.010 0.000 0.283 54 V C -0.066 176.093 176.094 0.108 0.000 1.014 54 V CA -0.489 61.861 62.300 0.083 0.000 0.852 54 V CB 1.505 33.363 31.823 0.058 0.000 1.021 54 V HN 0.963 nan 8.190 nan 0.000 0.435 55 T N 3.801 118.450 114.554 0.158 0.000 2.841 55 T HA 0.669 5.026 4.350 0.010 0.000 0.296 55 T C -1.150 173.699 174.700 0.249 0.000 1.166 55 T CA -0.513 61.726 62.100 0.232 0.000 1.007 55 T CB 1.687 70.732 68.868 0.294 0.000 1.253 55 T HN 0.539 nan 8.240 nan 0.000 0.511 56 L N 2.813 124.171 121.223 0.224 0.000 2.456 56 L HA 0.652 4.998 4.340 0.010 0.000 0.272 56 L C 0.086 177.050 176.870 0.156 0.000 1.189 56 L CA -0.036 54.907 54.840 0.171 0.000 0.846 56 L CB 0.534 42.676 42.059 0.139 0.000 1.111 56 L HN 0.603 nan 8.230 nan 0.000 0.475 57 R N 4.178 124.754 120.500 0.127 0.000 2.247 57 R HA 0.330 4.677 4.340 0.010 0.000 0.329 57 R C -0.668 175.658 176.300 0.042 0.000 1.014 57 R CA -0.228 55.921 56.100 0.081 0.000 0.907 57 R CB -0.041 30.321 30.300 0.104 0.000 1.146 57 R HN 0.761 nan 8.270 nan 0.000 0.499 58 E N 5.290 125.498 120.200 0.014 0.000 2.436 58 E HA 0.065 4.421 4.350 0.010 0.000 0.262 58 E C -1.865 174.743 176.600 0.014 0.000 1.063 58 E CA -1.322 55.077 56.400 -0.002 0.000 0.944 58 E CB 0.179 29.856 29.700 -0.039 0.000 0.950 58 E HN 0.545 nan 8.360 nan 0.000 0.444 59 P HA 0.025 nan 4.420 nan 0.000 0.272 59 P C -0.905 176.448 177.300 0.088 0.000 1.230 59 P CA -0.262 62.872 63.100 0.058 0.000 0.788 59 P CB 0.518 32.266 31.700 0.080 0.000 0.949 60 A N 2.008 124.880 122.820 0.087 0.000 2.498 60 A HA 0.012 4.338 4.320 0.010 0.000 0.239 60 A C 1.834 179.495 177.584 0.128 0.000 1.068 60 A CA -0.108 51.990 52.037 0.100 0.000 0.766 60 A CB -0.375 18.672 19.000 0.078 0.000 1.003 60 A HN 0.670 nan 8.150 nan 0.000 0.497 61 R N 0.987 121.546 120.500 0.098 0.000 2.096 61 R HA -0.179 4.167 4.340 0.010 0.000 0.240 61 R C 2.023 178.300 176.300 -0.039 0.000 1.139 61 R CA 2.125 58.173 56.100 -0.086 0.000 0.952 61 R CB -0.138 29.926 30.300 -0.394 0.000 0.854 61 R HN 0.807 nan 8.270 nan 0.000 0.436 62 K N -0.135 120.263 120.400 -0.005 0.000 2.026 62 K HA -0.126 4.201 4.320 0.010 0.000 0.208 62 K C 1.902 178.541 176.600 0.066 0.000 1.048 62 K CA 1.485 57.780 56.287 0.013 0.000 0.929 62 K CB -0.174 32.339 32.500 0.022 0.000 0.713 62 K HN 0.289 nan 8.250 nan 0.000 0.439 63 A N 0.305 123.180 122.820 0.092 0.000 1.902 63 A HA -0.204 4.122 4.320 0.010 0.000 0.217 63 A C 2.111 179.789 177.584 0.158 0.000 1.181 63 A CA 1.438 53.537 52.037 0.103 0.000 0.623 63 A CB -0.876 18.174 19.000 0.083 0.000 0.818 63 A HN 0.521 nan 8.150 nan 0.000 0.443 64 Y N 0.433 120.793 120.300 0.099 0.000 2.097 64 Y HA -0.211 4.344 4.550 0.009 0.000 0.282 64 Y C 2.002 178.073 175.900 0.285 0.000 1.152 64 Y CA 2.030 60.243 58.100 0.187 0.000 1.136 64 Y CB -0.291 38.285 38.460 0.194 0.000 0.975 64 Y HN 0.256 nan 8.280 nan 0.000 0.498 65 I N 0.199 120.930 120.570 0.268 0.000 2.286 65 I HA -0.341 3.836 4.170 0.010 0.000 0.248 65 I C 2.401 178.531 176.117 0.022 0.000 1.115 65 I CA 1.565 62.951 61.300 0.142 0.000 1.392 65 I CB -0.448 37.614 38.000 0.104 0.000 1.065 65 I HN 0.355 nan 8.210 nan 0.000 0.418 66 Q N -0.545 119.281 119.800 0.043 0.000 2.084 66 Q HA -0.267 4.080 4.340 0.010 0.000 0.202 66 Q C 2.009 178.005 176.000 -0.008 0.000 0.978 66 Q CA 2.107 57.918 55.803 0.014 0.000 0.844 66 Q CB -0.313 28.448 28.738 0.039 0.000 0.898 66 Q HN 0.652 nan 8.270 nan 0.000 0.426 67 W N 1.651 122.853 121.300 -0.164 0.000 2.358 67 W HA -0.154 4.512 4.660 0.010 0.000 0.303 67 W C 1.972 178.345 176.519 -0.244 0.000 1.208 67 W CA 1.208 58.433 57.345 -0.199 0.000 1.274 67 W CB 0.001 29.312 29.460 -0.248 0.000 1.138 67 W HN -0.144 nan 8.180 nan 0.000 0.515 68 K N 0.218 120.342 120.400 -0.460 0.000 2.103 68 K HA -0.144 4.182 4.320 0.010 0.000 0.204 68 K C 1.059 177.382 176.600 -0.462 0.000 1.052 68 K CA 1.884 57.723 56.287 -0.746 0.000 0.945 68 K CB -0.070 32.187 32.500 -0.405 0.000 0.722 68 K HN 0.397 nan 8.250 nan 0.000 0.443 69 E N -1.346 118.701 120.200 -0.255 0.000 2.641 69 E HA 0.044 4.400 4.350 0.010 0.000 0.224 69 E C 0.312 176.834 176.600 -0.131 0.000 0.951 69 E CA -0.049 56.251 56.400 -0.167 0.000 1.102 69 E CB 0.876 30.528 29.700 -0.080 0.000 1.091 69 E HN 0.178 nan 8.360 nan 0.000 0.507 70 Q N 0.116 119.838 119.800 -0.130 0.000 2.110 70 Q HA 0.233 4.579 4.340 0.010 0.000 0.232 70 Q C 0.482 176.427 176.000 -0.092 0.000 0.810 70 Q CA 0.152 55.903 55.803 -0.087 0.000 1.083 70 Q CB 1.647 30.355 28.738 -0.049 0.000 1.193 70 Q HN 0.317 nan 8.270 nan 0.000 0.471 71 G N 0.590 109.300 108.800 -0.150 0.000 2.179 71 G HA2 -0.280 3.687 3.960 0.010 0.000 0.257 71 G HA3 -0.280 3.687 3.960 0.010 0.000 0.257 71 G C 0.439 175.299 174.900 -0.067 0.000 1.010 71 G CA -0.066 44.955 45.100 -0.132 0.000 0.736 71 G HN 0.505 nan 8.290 nan 0.000 0.513 72 G N 0.063 108.840 108.800 -0.038 0.000 2.634 72 G HA2 0.603 4.569 3.960 0.010 0.000 0.255 72 G HA3 0.603 4.569 3.960 0.010 0.000 0.255 72 G C -1.226 173.760 174.900 0.144 0.000 1.205 72 G CA -0.248 44.882 45.100 0.051 0.000 0.884 72 G HN 0.345 nan 8.290 nan 0.000 0.549 73 P HA 0.162 nan 4.420 nan 0.000 0.274 73 P C -0.375 177.039 177.300 0.191 0.000 1.237 73 P CA -0.736 62.459 63.100 0.158 0.000 0.793 73 P CB 1.070 32.816 31.700 0.077 0.000 0.977 74 L N 4.125 125.417 121.223 0.116 0.000 2.462 74 L HA 0.225 4.571 4.340 0.010 0.000 0.272 74 L C -2.032 174.743 176.870 -0.159 0.000 1.166 74 L CA -1.386 53.352 54.840 -0.170 0.000 0.880 74 L CB -1.001 40.986 42.059 -0.121 0.000 1.142 74 L HN 0.299 nan 8.230 nan 0.000 0.473 75 P HA 0.199 nan 4.420 nan 0.000 0.269 75 P C -2.524 174.721 177.300 -0.091 0.000 1.215 75 P CA -0.900 62.130 63.100 -0.116 0.000 0.780 75 P CB -0.332 31.305 31.700 -0.106 0.000 0.898 76 P HA 0.171 nan 4.420 nan 0.000 0.269 76 P C -0.359 176.930 177.300 -0.018 0.000 1.209 76 P CA -0.099 62.990 63.100 -0.020 0.000 0.776 76 P CB 0.383 32.085 31.700 0.003 0.000 0.876 77 R N 2.806 123.299 120.500 -0.010 0.000 2.220 77 R HA 0.393 4.739 4.340 0.010 0.000 0.340 77 R C -0.776 175.541 176.300 0.030 0.000 1.076 77 R CA 0.061 56.163 56.100 0.003 0.000 0.920 77 R CB -0.914 29.388 30.300 0.002 0.000 1.062 77 R HN 0.422 nan 8.270 nan 0.000 0.469 78 L N 2.499 123.749 121.223 0.046 0.000 2.319 78 L HA 0.847 5.193 4.340 0.010 0.000 0.267 78 L C -0.316 176.617 176.870 0.106 0.000 1.011 78 L CA -1.346 53.538 54.840 0.073 0.000 0.818 78 L CB 2.182 44.285 42.059 0.074 0.000 1.316 78 L HN 0.642 nan 8.230 nan 0.000 0.432 79 A N 1.048 123.951 122.820 0.138 0.000 2.371 79 A HA 0.636 4.962 4.320 0.010 0.000 0.311 79 A C -1.808 175.929 177.584 0.255 0.000 1.068 79 A CA -0.393 51.752 52.037 0.180 0.000 0.744 79 A CB 1.240 20.329 19.000 0.149 0.000 1.239 79 A HN 0.610 nan 8.150 nan 0.000 0.435 80 Y N 2.895 123.270 120.300 0.125 0.000 2.341 80 Y HA 0.626 5.182 4.550 0.009 0.000 0.337 80 Y C -0.896 175.082 175.900 0.130 0.000 1.014 80 Y CA -0.953 57.196 58.100 0.082 0.000 1.111 80 Y CB 0.975 39.464 38.460 0.049 0.000 1.194 80 Y HN 0.756 nan 8.280 nan 0.000 0.462 81 Y N 3.217 123.172 120.300 -0.575 0.000 2.602 81 Y HA 0.861 5.418 4.550 0.011 0.000 0.342 81 Y C -2.004 173.537 175.900 -0.597 0.000 1.029 81 Y CA -1.816 56.028 58.100 -0.427 0.000 1.080 81 Y CB 1.384 39.824 38.460 -0.034 0.000 1.284 81 Y HN 0.348 nan 8.280 nan 0.000 0.485 82 V N 4.437 124.256 119.914 -0.158 0.000 2.567 82 V HA 0.472 4.598 4.120 0.010 0.000 0.298 82 V C -0.379 175.717 176.094 0.003 0.000 1.047 82 V CA -0.722 61.495 62.300 -0.138 0.000 0.880 82 V CB 1.262 33.050 31.823 -0.058 0.000 1.009 82 V HN 0.873 nan 8.190 nan 0.000 0.429 83 I N 2.565 123.098 120.570 -0.060 0.000 2.957 83 I HA 0.732 4.908 4.170 0.010 0.000 0.310 83 I C -1.286 174.698 176.117 -0.223 0.000 1.063 83 I CA -1.043 60.123 61.300 -0.223 0.000 1.033 83 I CB 2.421 40.143 38.000 -0.463 0.000 1.230 83 I HN 0.277 nan 8.210 nan 0.000 0.447 84 L N 1.930 123.009 121.223 -0.239 0.000 2.342 84 L HA 0.570 4.917 4.340 0.010 0.000 0.271 84 L C -0.574 176.162 176.870 -0.223 0.000 1.008 84 L CA -0.405 54.322 54.840 -0.187 0.000 0.818 84 L CB 1.948 43.933 42.059 -0.124 0.000 1.296 84 L HN 0.781 nan 8.230 nan 0.000 0.427 85 E N 1.499 121.586 120.200 -0.187 0.000 2.199 85 E HA 0.547 4.903 4.350 0.010 0.000 0.265 85 E C -0.595 175.942 176.600 -0.106 0.000 0.882 85 E CA -0.705 55.591 56.400 -0.172 0.000 0.759 85 E CB 2.046 31.634 29.700 -0.186 0.000 1.148 85 E HN 0.724 nan 8.360 nan 0.000 0.412 86 A N 3.090 125.860 122.820 -0.084 0.000 2.567 86 A HA 0.371 4.697 4.320 0.010 0.000 0.240 86 A C 1.286 178.844 177.584 -0.043 0.000 1.053 86 A CA 0.990 52.994 52.037 -0.054 0.000 0.755 86 A CB -0.578 18.397 19.000 -0.041 0.000 0.978 86 A HN 1.221 nan 8.150 nan 0.000 0.507 87 G N 1.571 110.350 108.800 -0.034 0.000 2.179 87 G HA2 -0.215 3.752 3.960 0.010 0.000 0.260 87 G HA3 -0.215 3.752 3.960 0.010 0.000 0.260 87 G C 0.281 175.165 174.900 -0.026 0.000 0.977 87 G CA 0.750 45.835 45.100 -0.025 0.000 0.641 87 G HN 0.753 nan 8.290 nan 0.000 0.533 88 K N 1.091 121.467 120.400 -0.040 0.000 2.164 88 K HA 0.561 4.887 4.320 0.010 0.000 0.258 88 K C -2.293 174.283 176.600 -0.040 0.000 0.951 88 K CA -1.758 54.505 56.287 -0.040 0.000 0.844 88 K CB 2.196 34.660 32.500 -0.061 0.000 1.099 88 K HN 0.184 nan 8.250 nan 0.000 0.435 89 P HA 0.254 nan 4.420 nan 0.000 0.282 89 P C 0.487 177.764 177.300 -0.038 0.000 1.249 89 P CA 0.098 63.185 63.100 -0.023 0.000 0.806 89 P CB 1.013 32.710 31.700 -0.005 0.000 0.984 90 G N 1.178 109.954 108.800 -0.041 0.000 2.527 90 G HA2 -0.084 3.882 3.960 0.010 0.000 0.268 90 G HA3 -0.084 3.882 3.960 0.010 0.000 0.268 90 G C -0.225 174.611 174.900 -0.105 0.000 1.175 90 G CA 0.513 45.572 45.100 -0.067 0.000 0.962 90 G HN 0.971 nan 8.290 nan 0.000 0.560 91 V N -3.900 115.929 119.914 -0.141 0.000 3.112 91 V HA 0.968 5.095 4.120 0.010 0.000 0.310 91 V C -0.589 175.413 176.094 -0.154 0.000 1.364 91 V CA -0.357 61.842 62.300 -0.170 0.000 1.058 91 V CB 1.892 33.573 31.823 -0.237 0.000 1.079 91 V HN 1.128 nan 8.190 nan 0.000 0.463 92 K N 0.663 120.967 120.400 -0.160 0.000 2.468 92 K HA 0.663 4.989 4.320 0.010 0.000 0.252 92 K C -1.332 175.190 176.600 -0.131 0.000 0.932 92 K CA -0.497 55.721 56.287 -0.115 0.000 0.794 92 K CB 2.516 34.925 32.500 -0.151 0.000 1.241 92 K HN 1.026 nan 8.250 nan 0.000 0.428 93 E N 0.745 120.845 120.200 -0.167 0.000 2.433 93 E HA 0.833 5.190 4.350 0.010 0.000 0.273 93 E C -0.389 175.870 176.600 -0.568 0.000 0.950 93 E CA -1.291 54.842 56.400 -0.445 0.000 0.796 93 E CB 2.310 31.906 29.700 -0.174 0.000 1.330 93 E HN 0.628 nan 8.360 nan 0.000 0.455 94 G N -0.013 108.176 108.800 -1.018 0.000 2.321 94 G HA2 0.382 4.348 3.960 0.010 0.000 0.296 94 G HA3 0.382 4.348 3.960 0.010 0.000 0.296 94 G C -1.823 172.828 174.900 -0.415 0.000 1.287 94 G CA -1.014 43.746 45.100 -0.567 0.000 0.846 94 G HN 0.406 nan 8.290 nan 0.000 0.508 95 L N -0.271 120.960 121.223 0.013 0.000 2.354 95 L HA 0.778 5.124 4.340 0.010 0.000 0.269 95 L C -0.512 176.488 176.870 0.216 0.000 1.005 95 L CA -1.234 53.700 54.840 0.156 0.000 0.819 95 L CB 2.248 44.379 42.059 0.120 0.000 1.311 95 L HN 0.360 nan 8.230 nan 0.000 0.423 96 V N 0.640 120.680 119.914 0.210 0.000 2.495 96 V HA 0.195 4.322 4.120 0.010 0.000 0.298 96 V C -0.780 175.368 176.094 0.089 0.000 1.031 96 V CA -0.500 61.878 62.300 0.129 0.000 0.871 96 V CB 2.081 33.970 31.823 0.109 0.000 0.988 96 V HN 0.743 nan 8.190 nan 0.000 0.432 97 D N 3.722 124.157 120.400 0.058 0.000 2.411 97 D HA 0.292 4.938 4.640 0.010 0.000 0.225 97 D C 1.077 177.398 176.300 0.036 0.000 1.156 97 D CA -0.185 53.842 54.000 0.045 0.000 0.874 97 D CB 0.861 41.681 40.800 0.034 0.000 1.034 97 D HN 0.445 nan 8.370 nan 0.000 0.502 98 L N 3.309 124.554 121.223 0.037 0.000 2.081 98 L HA -0.192 4.154 4.340 0.010 0.000 0.212 98 L C 2.392 179.273 176.870 0.018 0.000 1.080 98 L CA 1.364 56.220 54.840 0.027 0.000 0.754 98 L CB -0.394 41.683 42.059 0.029 0.000 0.893 98 L HN 0.559 nan 8.230 nan 0.000 0.433 99 A N -0.365 122.465 122.820 0.017 0.000 1.933 99 A HA -0.176 4.150 4.320 0.010 0.000 0.218 99 A C 2.307 179.899 177.584 0.014 0.000 1.175 99 A CA 1.922 53.967 52.037 0.013 0.000 0.628 99 A CB -0.428 18.578 19.000 0.011 0.000 0.814 99 A HN 0.506 nan 8.150 nan 0.000 0.444 100 S N -1.367 114.343 115.700 0.016 0.000 2.568 100 S HA 0.423 4.899 4.470 0.010 0.000 0.232 100 S C 0.420 175.030 174.600 0.017 0.000 0.975 100 S CA -0.020 58.190 58.200 0.016 0.000 0.949 100 S CB -0.575 62.636 63.200 0.018 0.000 0.829 100 S HN 0.539 nan 8.310 nan 0.000 0.479 101 L N 2.213 123.446 121.223 0.017 0.000 3.879 101 L HA -0.189 4.157 4.340 0.010 0.000 0.481 101 L C -0.016 176.865 176.870 0.018 0.000 1.232 101 L CA 0.616 55.465 54.840 0.015 0.000 0.736 101 L CB -2.183 39.883 42.059 0.012 0.000 1.511 101 L HN 0.734 nan 8.230 nan 0.000 0.830 102 S N -1.985 113.727 115.700 0.020 0.000 2.536 102 S HA 0.669 5.145 4.470 0.010 0.000 0.271 102 S C -0.387 174.213 174.600 -0.000 0.000 1.134 102 S CA -1.062 57.150 58.200 0.019 0.000 0.897 102 S CB 2.367 65.585 63.200 0.029 0.000 1.094 102 S HN -0.023 nan 8.310 nan 0.000 0.473 103 V N 3.749 123.630 119.914 -0.056 0.000 2.446 103 V HA 0.159 4.285 4.120 0.010 0.000 0.276 103 V C 1.231 177.276 176.094 -0.081 0.000 1.030 103 V CA 0.081 62.292 62.300 -0.148 0.000 1.033 103 V CB -0.091 31.360 31.823 -0.618 0.000 0.993 103 V HN 0.898 nan 8.190 nan 0.000 0.477 104 I N 1.270 121.833 120.570 -0.012 0.000 4.018 104 I HA 0.542 4.718 4.170 0.010 0.000 0.337 104 I C 0.522 176.647 176.117 0.014 0.000 1.327 104 I CA 0.249 61.555 61.300 0.011 0.000 1.100 104 I CB 0.442 38.459 38.000 0.029 0.000 1.025 104 I HN 0.609 nan 8.210 nan 0.000 0.396 105 E N 0.503 120.707 120.200 0.007 0.000 2.388 105 E HA 0.456 4.812 4.350 0.010 0.000 0.289 105 E C -1.370 175.235 176.600 0.008 0.000 0.944 105 E CA -0.400 56.010 56.400 0.017 0.000 0.792 105 E CB 2.195 31.915 29.700 0.032 0.000 1.239 105 E HN 0.125 nan 8.360 nan 0.000 0.412 106 T N 2.690 117.258 114.554 0.023 0.000 2.942 106 T HA 0.637 4.994 4.350 0.010 0.000 0.327 106 T C -2.000 172.750 174.700 0.083 0.000 1.360 106 T CA -0.669 61.466 62.100 0.058 0.000 1.055 106 T CB 1.016 69.955 68.868 0.119 0.000 1.261 106 T HN 0.625 nan 8.240 nan 0.000 0.485 107 R N 1.530 122.075 120.500 0.075 0.000 2.664 107 R HA 0.808 5.154 4.340 0.010 0.000 0.266 107 R C -1.901 174.427 176.300 0.046 0.000 1.046 107 R CA -1.097 55.044 56.100 0.070 0.000 0.885 107 R CB 0.947 31.276 30.300 0.048 0.000 1.254 107 R HN 0.705 nan 8.270 nan 0.000 0.465 108 A N 2.429 125.274 122.820 0.042 0.000 2.304 108 A HA 0.641 4.967 4.320 0.010 0.000 0.323 108 A C -1.133 176.446 177.584 -0.009 0.000 1.195 108 A CA -0.769 51.272 52.037 0.007 0.000 0.826 108 A CB 1.043 20.054 19.000 0.017 0.000 1.184 108 A HN 0.396 nan 8.150 nan 0.000 0.496 109 L N 2.909 124.105 121.223 -0.045 0.000 2.337 109 L HA 0.349 4.696 4.340 0.010 0.000 0.269 109 L C 0.959 177.795 176.870 -0.056 0.000 1.018 109 L CA 0.221 55.032 54.840 -0.049 0.000 0.876 109 L CB 0.438 42.447 42.059 -0.085 0.000 1.236 109 L HN 0.904 nan 8.230 nan 0.000 0.436 110 E N 0.525 120.710 120.200 -0.025 0.000 2.427 110 E HA -0.040 4.316 4.350 0.010 0.000 0.196 110 E C 0.386 176.984 176.600 -0.003 0.000 1.028 110 E CA 0.924 57.313 56.400 -0.018 0.000 0.864 110 E CB 0.356 30.054 29.700 -0.003 0.000 0.813 110 E HN 0.639 nan 8.360 nan 0.000 0.514 111 T N -1.297 113.260 114.554 0.006 0.000 3.308 111 T HA 0.433 4.790 4.350 0.010 0.000 0.270 111 T C -0.160 174.565 174.700 0.042 0.000 0.992 111 T CA -0.410 61.710 62.100 0.034 0.000 0.931 111 T CB 0.315 69.211 68.868 0.048 0.000 1.142 111 T HN -0.166 nan 8.240 nan 0.000 0.525 112 V N 0.654 120.571 119.914 0.006 0.000 3.078 112 V HA 0.642 4.768 4.120 0.010 0.000 0.311 112 V C -1.724 174.358 176.094 -0.020 0.000 1.138 112 V CA -0.763 61.539 62.300 0.003 0.000 1.007 112 V CB 2.539 34.329 31.823 -0.055 0.000 1.045 112 V HN 0.377 nan 8.190 nan 0.000 0.432 113 Q N 3.772 123.587 119.800 0.024 0.000 2.347 113 Q HA 0.532 4.879 4.340 0.010 0.000 0.271 113 Q C -2.724 173.309 176.000 0.055 0.000 1.064 113 Q CA -1.756 54.059 55.803 0.021 0.000 0.800 113 Q CB 2.720 31.495 28.738 0.062 0.000 1.304 113 Q HN 0.490 nan 8.270 nan 0.000 0.438 114 P HA 0.315 nan 4.420 nan 0.000 0.284 114 P C 0.061 177.434 177.300 0.120 0.000 1.292 114 P CA -0.743 62.447 63.100 0.151 0.000 0.800 114 P CB 1.245 33.009 31.700 0.107 0.000 1.188 115 I N 0.033 120.695 120.570 0.152 0.000 2.815 115 I HA -0.070 4.106 4.170 0.010 0.000 0.291 115 I C -0.019 176.175 176.117 0.129 0.000 1.209 115 I CA -0.027 61.342 61.300 0.115 0.000 1.431 115 I CB 0.034 38.153 38.000 0.199 0.000 1.351 115 I HN 0.113 nan 8.210 nan 0.000 0.585 116 L N 7.569 128.861 121.223 0.114 0.000 2.261 116 L HA 0.226 4.572 4.340 0.010 0.000 0.289 116 L C 0.656 177.620 176.870 0.158 0.000 1.059 116 L CA -0.444 54.484 54.840 0.147 0.000 0.816 116 L CB 0.787 42.968 42.059 0.203 0.000 1.191 116 L HN 0.651 nan 8.230 nan 0.000 0.431 117 T N -0.711 113.862 114.554 0.030 0.000 2.813 117 T HA 0.101 4.457 4.350 0.010 0.000 0.297 117 T C 1.448 176.088 174.700 -0.099 0.000 1.036 117 T CA -0.274 61.715 62.100 -0.185 0.000 1.044 117 T CB 1.479 70.172 68.868 -0.292 0.000 0.993 117 T HN 0.392 nan 8.240 nan 0.000 0.535 118 V N -0.280 119.538 119.914 -0.159 0.000 2.867 118 V HA -0.053 4.073 4.120 0.010 0.000 0.260 118 V C 2.105 178.184 176.094 -0.025 0.000 1.099 118 V CA 1.710 63.981 62.300 -0.049 0.000 1.122 118 V CB -1.128 30.681 31.823 -0.023 0.000 0.708 118 V HN 0.946 nan 8.190 nan 0.000 0.490 119 E N 1.188 121.358 120.200 -0.051 0.000 2.046 119 E HA -0.164 4.192 4.350 0.010 0.000 0.190 119 E C 1.846 178.448 176.600 0.003 0.000 0.982 119 E CA 1.610 58.000 56.400 -0.017 0.000 0.800 119 E CB -0.164 29.522 29.700 -0.023 0.000 0.756 119 E HN 0.889 nan 8.360 nan 0.000 0.449 120 D N 0.382 120.785 120.400 0.004 0.000 2.269 120 D HA -0.113 4.533 4.640 0.010 0.000 0.208 120 D C 1.701 178.028 176.300 0.045 0.000 0.963 120 D CA 0.623 54.638 54.000 0.024 0.000 0.864 120 D CB -0.090 40.728 40.800 0.030 0.000 0.936 120 D HN 0.153 nan 8.370 nan 0.000 0.505 121 L N -0.260 120.994 121.223 0.052 0.000 2.249 121 L HA 0.032 4.378 4.340 0.010 0.000 0.207 121 L C 1.799 178.707 176.870 0.062 0.000 1.090 121 L CA 0.267 55.150 54.840 0.072 0.000 0.802 121 L CB -0.042 42.062 42.059 0.075 0.000 0.947 121 L HN 0.158 nan 8.230 nan 0.000 0.453 122 C N -0.256 119.072 119.300 0.046 0.000 2.432 122 C HA -0.112 4.355 4.460 0.010 0.000 0.280 122 C C 3.091 178.108 174.990 0.045 0.000 1.353 122 C CA 1.225 60.272 59.018 0.048 0.000 1.766 122 C CB -0.763 27.000 27.740 0.039 0.000 1.924 122 C HN 0.652 nan 8.230 nan 0.000 0.509 123 S N -0.145 115.578 115.700 0.038 0.000 2.428 123 S HA -0.133 4.343 4.470 0.010 0.000 0.230 123 S C 1.531 176.152 174.600 0.035 0.000 1.014 123 S CA 1.670 59.889 58.200 0.031 0.000 0.957 123 S CB -0.909 62.306 63.200 0.024 0.000 0.784 123 S HN 0.611 nan 8.310 nan 0.000 0.499 124 T N 2.379 116.962 114.554 0.047 0.000 2.721 124 T HA -0.190 4.167 4.350 0.010 0.000 0.268 124 T C 1.663 176.395 174.700 0.053 0.000 1.038 124 T CA 1.883 64.015 62.100 0.053 0.000 1.145 124 T CB -0.423 68.490 68.868 0.075 0.000 0.858 124 T HN 0.649 nan 8.240 nan 0.000 0.459 125 E N 0.135 120.369 120.200 0.057 0.000 2.106 125 E HA -0.157 4.199 4.350 0.010 0.000 0.192 125 E C 2.248 178.857 176.600 0.015 0.000 0.984 125 E CA 0.840 57.267 56.400 0.045 0.000 0.806 125 E CB 0.050 29.779 29.700 0.049 0.000 0.750 125 E HN 0.249 nan 8.360 nan 0.000 0.458 126 E N -0.164 120.044 120.200 0.013 0.000 2.107 126 E HA -0.121 4.235 4.350 0.010 0.000 0.191 126 E C 2.049 178.655 176.600 0.009 0.000 0.982 126 E CA 0.944 57.345 56.400 0.002 0.000 0.809 126 E CB -0.074 29.628 29.700 0.004 0.000 0.756 126 E HN 0.277 nan 8.360 nan 0.000 0.459 127 V N 0.634 120.557 119.914 0.016 0.000 2.515 127 V HA -0.179 3.947 4.120 0.010 0.000 0.250 127 V C 2.118 178.223 176.094 0.020 0.000 1.058 127 V CA 1.793 64.101 62.300 0.015 0.000 1.064 127 V CB -0.667 31.165 31.823 0.014 0.000 0.675 127 V HN 0.422 nan 8.190 nan 0.000 0.461 128 I N -1.579 119.010 120.570 0.031 0.000 2.500 128 I HA -0.009 4.167 4.170 0.010 0.000 0.252 128 I C 2.677 178.820 176.117 0.043 0.000 1.142 128 I CA 1.275 62.603 61.300 0.047 0.000 1.451 128 I CB -0.628 37.417 38.000 0.075 0.000 1.093 128 I HN 0.109 nan 8.210 nan 0.000 0.430 129 R N 1.214 121.729 120.500 0.026 0.000 2.120 129 R HA -0.034 4.312 4.340 0.010 0.000 0.234 129 R C 1.352 177.660 176.300 0.014 0.000 1.123 129 R CA 1.423 57.532 56.100 0.015 0.000 0.975 129 R CB -0.236 30.056 30.300 -0.013 0.000 0.866 129 R HN 0.512 nan 8.270 nan 0.000 0.446 130 N N 0.607 119.312 118.700 0.010 0.000 2.280 130 N HA -0.053 4.694 4.740 0.010 0.000 0.192 130 N C -0.607 174.904 175.510 0.001 0.000 1.109 130 N CA 0.268 53.321 53.050 0.005 0.000 0.855 130 N CB 0.269 38.758 38.487 0.003 0.000 0.974 130 N HN 0.210 nan 8.380 nan 0.000 0.482 131 D N 0.849 121.251 120.400 0.003 0.000 2.312 131 D HA 0.143 4.789 4.640 0.010 0.000 0.252 131 D C -1.553 174.736 176.300 -0.020 0.000 1.150 131 D CA -1.897 52.099 54.000 -0.007 0.000 0.870 131 D CB 1.946 42.745 40.800 -0.003 0.000 1.153 131 D HN -0.093 nan 8.370 nan 0.000 0.457 132 P HA -0.171 nan 4.420 nan 0.000 0.215 132 P C 0.925 178.187 177.300 -0.064 0.000 1.157 132 P CA 1.393 64.469 63.100 -0.039 0.000 0.868 132 P CB 0.066 31.745 31.700 -0.035 0.000 0.788 133 A N -0.508 122.267 122.820 -0.074 0.000 1.883 133 A HA -0.195 4.131 4.320 0.010 0.000 0.217 133 A C 2.389 179.879 177.584 -0.156 0.000 1.186 133 A CA 2.195 54.163 52.037 -0.115 0.000 0.624 133 A CB -1.817 17.114 19.000 -0.115 0.000 0.822 133 A HN 0.042 nan 8.150 nan 0.000 0.444 134 V N 0.124 119.972 119.914 -0.110 0.000 2.343 134 V HA -0.284 3.842 4.120 0.010 0.000 0.247 134 V C 2.424 178.447 176.094 -0.118 0.000 1.051 134 V CA 2.114 64.348 62.300 -0.109 0.000 1.036 134 V CB -0.719 31.123 31.823 0.031 0.000 0.654 134 V HN 0.578 nan 8.190 nan 0.000 0.451 135 I N -0.039 120.492 120.570 -0.065 0.000 2.286 135 I HA -0.259 3.917 4.170 0.010 0.000 0.248 135 I C 2.579 178.647 176.117 -0.082 0.000 1.115 135 I CA 1.898 63.172 61.300 -0.044 0.000 1.392 135 I CB -0.365 37.620 38.000 -0.025 0.000 1.065 135 I HN 0.403 nan 8.210 nan 0.000 0.418 136 E N 0.510 120.640 120.200 -0.116 0.000 2.153 136 E HA -0.247 4.109 4.350 0.010 0.000 0.194 136 E C 2.140 178.627 176.600 -0.189 0.000 0.988 136 E CA 0.956 57.280 56.400 -0.127 0.000 0.811 136 E CB 0.170 29.796 29.700 -0.123 0.000 0.746 136 E HN 0.411 nan 8.360 nan 0.000 0.466 137 Q N -0.078 119.526 119.800 -0.328 0.000 2.123 137 Q HA -0.095 4.251 4.340 0.010 0.000 0.199 137 Q C 2.318 178.119 176.000 -0.332 0.000 0.966 137 Q CA 0.984 56.458 55.803 -0.548 0.000 0.845 137 Q CB -0.563 27.392 28.738 -1.305 0.000 0.907 137 Q HN 0.419 nan 8.270 nan 0.000 0.439 138 C N -0.291 118.914 119.300 -0.158 0.000 2.446 138 C HA -0.050 4.416 4.460 0.010 0.000 0.277 138 C C 2.821 177.808 174.990 -0.006 0.000 1.275 138 C CA 0.407 59.453 59.018 0.047 0.000 1.727 138 C CB -0.898 26.893 27.740 0.085 0.000 2.010 138 C HN 0.245 nan 8.230 nan 0.000 0.486 139 V N 0.646 120.535 119.914 -0.042 0.000 2.343 139 V HA -0.193 3.933 4.120 0.010 0.000 0.247 139 V C 2.414 178.483 176.094 -0.043 0.000 1.051 139 V CA 1.556 63.832 62.300 -0.039 0.000 1.036 139 V CB -0.700 31.098 31.823 -0.042 0.000 0.654 139 V HN 0.387 nan 8.190 nan 0.000 0.451 140 L N 0.180 121.366 121.223 -0.061 0.000 2.083 140 L HA -0.099 4.247 4.340 0.010 0.000 0.209 140 L C 2.427 179.283 176.870 -0.025 0.000 1.083 140 L CA 1.822 56.630 54.840 -0.052 0.000 0.752 140 L CB -1.118 40.892 42.059 -0.081 0.000 0.899 140 L HN 0.301 nan 8.230 nan 0.000 0.433 141 S N -0.690 115.008 115.700 -0.004 0.000 2.603 141 S HA 0.184 4.660 4.470 0.010 0.000 0.229 141 S C 1.401 175.990 174.600 -0.018 0.000 0.972 141 S CA 0.718 58.937 58.200 0.031 0.000 0.935 141 S CB -0.169 63.112 63.200 0.135 0.000 0.769 141 S HN 0.674 nan 8.310 nan 0.000 0.536 142 G N 1.108 109.886 108.800 -0.036 0.000 2.134 142 G HA2 -0.199 3.768 3.960 0.010 0.000 0.209 142 G HA3 -0.199 3.768 3.960 0.010 0.000 0.209 142 G C -0.101 174.743 174.900 -0.094 0.000 0.993 142 G CA -0.392 44.672 45.100 -0.059 0.000 0.669 142 G HN 0.483 nan 8.290 nan 0.000 0.519 143 I N 1.590 122.111 120.570 -0.081 0.000 2.382 143 I HA 0.324 4.501 4.170 0.010 0.000 0.285 143 I C -2.187 173.916 176.117 -0.024 0.000 1.007 143 I CA -2.536 58.712 61.300 -0.087 0.000 1.142 143 I CB 2.017 39.959 38.000 -0.098 0.000 1.289 143 I HN -0.183 nan 8.210 nan 0.000 0.453 144 P HA -0.054 nan 4.420 nan 0.000 0.265 144 P C 0.627 177.938 177.300 0.018 0.000 1.187 144 P CA 0.096 63.200 63.100 0.007 0.000 0.766 144 P CB 0.820 32.532 31.700 0.021 0.000 0.820 145 A N 3.591 126.418 122.820 0.012 0.000 2.131 145 A HA -0.201 4.126 4.320 0.010 0.000 0.220 145 A C 1.519 179.124 177.584 0.034 0.000 1.158 145 A CA 1.710 53.757 52.037 0.016 0.000 0.665 145 A CB -1.289 17.713 19.000 0.004 0.000 0.795 145 A HN 0.805 nan 8.150 nan 0.000 0.460 146 N N -1.523 117.204 118.700 0.044 0.000 2.322 146 N HA 0.054 4.800 4.740 0.010 0.000 0.194 146 N C 0.417 175.999 175.510 0.121 0.000 1.126 146 N CA 0.260 53.352 53.050 0.070 0.000 0.845 146 N CB 0.114 38.636 38.487 0.058 0.000 0.976 146 N HN 0.505 nan 8.380 nan 0.000 0.475 147 E N 0.014 120.267 120.200 0.089 0.000 2.734 147 E HA 0.206 4.563 4.350 0.010 0.000 0.211 147 E C 0.739 177.311 176.600 -0.048 0.000 0.991 147 E CA -0.316 56.111 56.400 0.044 0.000 1.065 147 E CB 0.388 30.114 29.700 0.043 0.000 1.047 147 E HN 0.298 nan 8.360 nan 0.000 0.470 148 M N 0.722 120.341 119.600 0.032 0.000 2.539 148 M HA -0.126 4.360 4.480 0.010 0.000 0.261 148 M C 1.839 178.109 176.300 -0.051 0.000 1.069 148 M CA 1.313 56.620 55.300 0.012 0.000 1.081 148 M CB -0.940 31.680 32.600 0.033 0.000 1.412 148 M HN 0.378 nan 8.290 nan 0.000 0.482 149 H N -0.921 118.128 119.070 -0.035 0.000 2.555 149 H HA 0.050 4.612 4.556 0.010 0.000 0.269 149 H C 0.798 176.026 175.328 -0.167 0.000 0.988 149 H CA 0.641 56.621 56.048 -0.113 0.000 1.178 149 H CB -0.247 29.475 29.762 -0.066 0.000 1.373 149 H HN 0.356 nan 8.280 nan 0.000 0.588 150 K N 0.972 121.065 120.400 -0.511 0.000 2.358 150 K HA 0.238 4.565 4.320 0.010 0.000 0.197 150 K C -0.101 176.504 176.600 0.008 0.000 1.025 150 K CA -0.116 56.009 56.287 -0.270 0.000 1.104 150 K CB 1.484 33.789 32.500 -0.326 0.000 0.855 150 K HN -0.015 nan 8.250 nan 0.000 0.531 151 V N 2.220 122.100 119.914 -0.056 0.000 2.407 151 V HA 0.232 4.358 4.120 0.010 0.000 0.278 151 V C -0.782 175.262 176.094 -0.082 0.000 1.037 151 V CA -0.518 61.843 62.300 0.103 0.000 0.900 151 V CB 0.222 32.108 31.823 0.105 0.000 0.983 151 V HN 0.060 nan 8.190 nan 0.000 0.459 152 Y N 3.186 123.528 120.300 0.069 0.000 2.630 152 Y HA 0.788 5.344 4.550 0.010 0.000 0.337 152 Y C 0.256 176.219 175.900 0.105 0.000 1.051 152 Y CA -0.954 57.187 58.100 0.069 0.000 1.121 152 Y CB 2.043 40.524 38.460 0.035 0.000 1.299 152 Y HN 0.824 nan 8.280 nan 0.000 0.498 153 C N -0.920 118.553 119.300 0.288 0.000 3.090 153 C HA 0.617 5.084 4.460 0.010 0.000 0.347 153 C C -1.773 173.383 174.990 0.276 0.000 1.147 153 C CA -0.959 58.202 59.018 0.238 0.000 1.305 153 C CB 1.338 29.148 27.740 0.118 0.000 1.692 153 C HN 0.760 nan 8.230 nan 0.000 0.506 154 D N 4.495 125.107 120.400 0.352 0.000 2.274 154 D HA 0.527 5.174 4.640 0.010 0.000 0.239 154 D C -2.349 174.200 176.300 0.416 0.000 1.104 154 D CA -1.115 53.127 54.000 0.404 0.000 0.840 154 D CB 1.900 43.059 40.800 0.598 0.000 1.100 154 D HN 0.564 nan 8.370 nan 0.000 0.477 155 P HA 0.242 nan 4.420 nan 0.000 0.287 155 P C -0.839 176.717 177.300 0.426 0.000 1.307 155 P CA -0.515 62.768 63.100 0.304 0.000 0.777 155 P CB 0.457 32.268 31.700 0.185 0.000 0.883 156 W N 1.418 122.791 121.300 0.122 0.000 2.762 156 W HA 0.393 5.060 4.660 0.010 0.000 0.355 156 W C 0.400 177.039 176.519 0.199 0.000 1.124 156 W CA -0.331 57.140 57.345 0.210 0.000 1.141 156 W CB 0.417 29.967 29.460 0.150 0.000 1.432 156 W HN 0.145 nan 8.180 nan 0.000 0.586 157 T N 1.153 115.994 114.554 0.479 0.000 2.860 157 T HA 0.075 4.431 4.350 0.010 0.000 0.299 157 T C 1.032 175.858 174.700 0.210 0.000 1.045 157 T CA -0.524 61.711 62.100 0.224 0.000 1.071 157 T CB 0.824 69.731 68.868 0.065 0.000 0.985 157 T HN 0.490 nan 8.240 nan 0.000 0.537 158 I N 0.654 121.294 120.570 0.117 0.000 3.001 158 I HA 0.075 4.252 4.170 0.010 0.000 0.268 158 I C 1.696 177.850 176.117 0.061 0.000 1.267 158 I CA 1.393 62.736 61.300 0.073 0.000 1.472 158 I CB -0.854 37.172 38.000 0.042 0.000 1.089 158 I HN 1.072 nan 8.210 nan 0.000 0.468 159 G N 0.623 109.465 108.800 0.069 0.000 5.356 159 G HA2 -0.382 3.584 3.960 0.010 0.000 0.309 159 G HA3 -0.382 3.584 3.960 0.010 0.000 0.309 159 G C 0.023 175.035 174.900 0.186 0.000 1.451 159 G CA 0.499 45.599 45.100 0.000 0.000 0.978 159 G HN 0.473 nan 8.290 nan 0.000 0.771 160 Y N 1.771 122.109 120.300 0.063 0.000 2.376 160 Y HA 0.557 5.114 4.550 0.011 0.000 0.321 160 Y C -2.243 173.717 175.900 0.101 0.000 1.189 160 Y CA -0.590 57.571 58.100 0.102 0.000 1.069 160 Y CB 1.877 40.400 38.460 0.105 0.000 1.292 160 Y HN 0.454 nan 8.280 nan 0.000 0.430 161 D N 5.696 125.686 120.400 -0.683 0.000 2.620 161 D HA 0.131 4.777 4.640 0.010 0.000 0.252 161 D C 0.576 176.427 176.300 -0.749 0.000 1.207 161 D CA -0.238 53.485 54.000 -0.462 0.000 0.884 161 D CB 1.505 42.309 40.800 0.007 0.000 1.262 161 D HN 0.841 nan 8.370 nan 0.000 0.552 162 E N 3.800 123.605 120.200 -0.658 0.000 2.396 162 E HA -0.185 4.171 4.350 0.010 0.000 0.200 162 E C 0.871 177.256 176.600 -0.359 0.000 1.023 162 E CA 0.590 56.752 56.400 -0.398 0.000 0.857 162 E CB -0.028 29.603 29.700 -0.114 0.000 0.775 162 E HN 0.484 nan 8.360 nan 0.000 0.525 163 R N -0.745 119.441 120.500 -0.524 0.000 2.189 163 R HA 0.015 4.361 4.340 0.010 0.000 0.218 163 R C 1.255 176.975 176.300 -0.967 0.000 1.074 163 R CA 1.261 56.833 56.100 -0.880 0.000 0.991 163 R CB 0.049 29.458 30.300 -1.484 0.000 0.883 163 R HN 0.346 nan 8.270 nan 0.000 0.457 164 W N -0.743 120.456 121.300 -0.169 0.000 2.592 164 W HA 0.299 4.965 4.660 0.010 0.000 0.306 164 W C 0.988 177.467 176.519 -0.066 0.000 0.991 164 W CA 0.445 57.727 57.345 -0.105 0.000 1.430 164 W CB -0.040 29.364 29.460 -0.093 0.000 1.017 164 W HN 0.199 nan 8.180 nan 0.000 0.557 165 G N 2.087 110.924 108.800 0.062 0.000 2.596 165 G HA2 -0.416 3.550 3.960 0.010 0.000 0.295 165 G HA3 -0.416 3.550 3.960 0.010 0.000 0.295 165 G C 0.766 175.791 174.900 0.210 0.000 1.240 165 G CA 2.066 47.266 45.100 0.168 0.000 0.985 165 G HN 0.141 nan 8.290 nan 0.000 0.555 166 T N -1.754 112.920 114.554 0.201 0.000 3.145 166 T HA 0.484 4.840 4.350 0.010 0.000 0.255 166 T C 2.086 176.856 174.700 0.116 0.000 1.039 166 T CA 1.071 63.269 62.100 0.163 0.000 0.928 166 T CB 0.648 69.612 68.868 0.160 0.000 1.029 166 T HN 1.603 nan 8.240 nan 0.000 0.554 167 G N 1.529 110.406 108.800 0.128 0.000 2.498 167 G HA2 0.037 4.003 3.960 0.010 0.000 0.219 167 G HA3 0.037 4.003 3.960 0.010 0.000 0.219 167 G C 0.375 175.322 174.900 0.078 0.000 1.119 167 G CA 0.133 45.295 45.100 0.104 0.000 0.766 167 G HN 0.506 nan 8.290 nan 0.000 0.552 168 K N -0.734 119.707 120.400 0.069 0.000 2.501 168 K HA 0.348 4.674 4.320 0.010 0.000 0.252 168 K C -0.898 175.697 176.600 -0.008 0.000 0.934 168 K CA -0.910 55.378 56.287 0.003 0.000 0.797 168 K CB 2.377 34.833 32.500 -0.073 0.000 1.270 168 K HN 0.008 nan 8.250 nan 0.000 0.431 169 R N 3.331 123.820 120.500 -0.018 0.000 2.291 169 R HA 0.165 4.511 4.340 0.010 0.000 0.333 169 R C -0.882 175.396 176.300 -0.036 0.000 1.082 169 R CA -0.211 55.884 56.100 -0.008 0.000 0.948 169 R CB 0.119 30.416 30.300 -0.006 0.000 1.009 169 R HN 0.276 nan 8.270 nan 0.000 0.460 170 L N 3.049 124.252 121.223 -0.034 0.000 2.322 170 L HA 0.505 4.851 4.340 0.010 0.000 0.269 170 L C -0.164 176.702 176.870 -0.006 0.000 1.012 170 L CA -0.607 54.189 54.840 -0.074 0.000 0.815 170 L CB 1.851 43.816 42.059 -0.156 0.000 1.295 170 L HN 0.685 nan 8.230 nan 0.000 0.438 171 Q N 0.668 120.463 119.800 -0.009 0.000 2.421 171 Q HA 0.569 4.915 4.340 0.010 0.000 0.280 171 Q C -1.386 174.639 176.000 0.042 0.000 1.085 171 Q CA -0.792 55.048 55.803 0.063 0.000 0.807 171 Q CB 3.314 32.104 28.738 0.086 0.000 1.405 171 Q HN 0.624 nan 8.270 nan 0.000 0.419 172 Q N 0.049 119.900 119.800 0.085 0.000 2.353 172 Q HA 0.830 5.177 4.340 0.010 0.000 0.268 172 Q C -1.528 174.495 176.000 0.039 0.000 1.045 172 Q CA -1.024 54.795 55.803 0.027 0.000 0.811 172 Q CB 2.032 30.754 28.738 -0.026 0.000 1.305 172 Q HN 0.521 nan 8.270 nan 0.000 0.447 173 A N 4.382 127.204 122.820 0.004 0.000 2.258 173 A HA 0.485 4.811 4.320 0.010 0.000 0.316 173 A C -0.461 177.065 177.584 -0.098 0.000 1.279 173 A CA -0.835 51.209 52.037 0.012 0.000 0.876 173 A CB 0.513 19.539 19.000 0.044 0.000 1.170 173 A HN 0.814 nan 8.150 nan 0.000 0.520 174 L N 3.881 125.030 121.223 -0.123 0.000 2.325 174 L HA 0.236 4.582 4.340 0.010 0.000 0.284 174 L C -0.376 176.320 176.870 -0.291 0.000 1.089 174 L CA -0.508 54.181 54.840 -0.252 0.000 0.836 174 L CB 0.801 42.735 42.059 -0.209 0.000 1.184 174 L HN 0.419 nan 8.230 nan 0.000 0.444 175 V N 4.369 123.997 119.914 -0.476 0.000 2.498 175 V HA 0.270 4.397 4.120 0.010 0.000 0.279 175 V C -0.370 175.311 176.094 -0.688 0.000 1.048 175 V CA -0.234 61.792 62.300 -0.457 0.000 0.967 175 V CB 0.661 32.137 31.823 -0.578 0.000 0.988 175 V HN 0.414 nan 8.190 nan 0.000 0.473 176 Y N 3.143 123.443 120.300 0.000 0.000 2.634 176 Y HA 0.645 5.202 4.550 0.010 0.000 0.340 176 Y C -0.697 175.324 175.900 0.201 0.000 1.058 176 Y CA -1.106 57.025 58.100 0.051 0.000 1.081 176 Y CB 2.000 40.419 38.460 -0.068 0.000 1.295 176 Y HN 0.601 nan 8.280 nan 0.000 0.487 177 Y N 1.282 121.753 120.300 0.285 0.000 2.406 177 Y HA 0.657 5.213 4.550 0.010 0.000 0.340 177 Y C -1.212 174.828 175.900 0.234 0.000 0.975 177 Y CA -1.239 57.007 58.100 0.243 0.000 1.056 177 Y CB 1.323 39.897 38.460 0.189 0.000 1.210 177 Y HN 0.558 nan 8.280 nan 0.000 0.448 178 R N 3.336 123.475 120.500 -0.601 0.000 2.387 178 R HA 0.296 4.642 4.340 0.010 0.000 0.314 178 R C 0.474 176.101 176.300 -1.123 0.000 0.958 178 R CA -0.027 55.595 56.100 -0.797 0.000 0.846 178 R CB 1.705 31.626 30.300 -0.631 0.000 1.147 178 R HN 0.911 nan 8.270 nan 0.000 0.447 179 S N 0.258 115.326 115.700 -1.053 0.000 2.496 179 S HA -0.047 4.430 4.470 0.010 0.000 0.224 179 S C 0.325 174.707 174.600 -0.363 0.000 0.996 179 S CA 0.277 58.139 58.200 -0.564 0.000 0.927 179 S CB 0.015 63.092 63.200 -0.205 0.000 0.774 179 S HN 0.702 nan 8.310 nan 0.000 0.524 180 D N 0.213 120.355 120.400 -0.429 0.000 2.859 180 D HA 0.200 4.846 4.640 0.010 0.000 0.223 180 D C 0.692 176.836 176.300 -0.260 0.000 1.218 180 D CA -0.553 53.298 54.000 -0.247 0.000 0.850 180 D CB 1.373 42.059 40.800 -0.191 0.000 1.656 180 D HN 0.109 nan 8.370 nan 0.000 0.484 181 E N 1.650 121.768 120.200 -0.136 0.000 2.219 181 E HA -0.242 4.114 4.350 0.010 0.000 0.198 181 E C 0.206 176.684 176.600 -0.203 0.000 0.998 181 E CA 1.069 57.395 56.400 -0.123 0.000 0.818 181 E CB -0.010 29.684 29.700 -0.010 0.000 0.741 181 E HN 0.388 nan 8.360 nan 0.000 0.477 182 D N 1.128 121.412 120.400 -0.194 0.000 2.340 182 D HA 0.031 4.677 4.640 0.010 0.000 0.220 182 D C -0.193 175.968 176.300 -0.232 0.000 1.039 182 D CA 0.260 54.138 54.000 -0.203 0.000 0.866 182 D CB -0.114 40.584 40.800 -0.169 0.000 0.913 182 D HN 0.157 nan 8.370 nan 0.000 0.523 183 D N -0.066 120.133 120.400 -0.334 0.000 2.361 183 D HA 0.015 4.661 4.640 0.010 0.000 0.239 183 D C 0.106 176.185 176.300 -0.368 0.000 1.200 183 D CA 0.282 54.019 54.000 -0.439 0.000 0.915 183 D CB 0.831 41.221 40.800 -0.684 0.000 1.170 183 D HN -0.208 nan 8.370 nan 0.000 0.444 184 S N 0.098 115.620 115.700 -0.298 0.000 2.420 184 S HA 0.057 4.533 4.470 0.010 0.000 0.313 184 S C 1.138 175.709 174.600 -0.047 0.000 1.079 184 S CA -0.687 57.433 58.200 -0.134 0.000 1.104 184 S CB 0.570 63.749 63.200 -0.036 0.000 0.969 184 S HN 0.378 nan 8.310 nan 0.000 0.471 185 Q N 4.218 123.871 119.800 -0.245 0.000 2.291 185 Q HA -0.167 4.179 4.340 0.010 0.000 0.206 185 Q C 0.419 176.305 176.000 -0.190 0.000 0.976 185 Q CA 1.587 57.252 55.803 -0.229 0.000 0.875 185 Q CB -0.611 27.846 28.738 -0.469 0.000 0.927 185 Q HN 0.887 nan 8.270 nan 0.000 0.450 186 Y N 2.225 122.474 120.300 -0.086 0.000 2.556 186 Y HA -0.136 4.420 4.550 0.010 0.000 0.290 186 Y C 2.521 178.587 175.900 0.277 0.000 1.149 186 Y CA 1.275 59.344 58.100 -0.052 0.000 1.329 186 Y CB -0.149 38.297 38.460 -0.023 0.000 0.975 186 Y HN 0.379 nan 8.280 nan 0.000 0.561 187 S N -1.920 114.022 115.700 0.403 0.000 2.558 187 S HA -0.001 4.475 4.470 0.010 0.000 0.217 187 S C 0.137 174.803 174.600 0.110 0.000 0.975 187 S CA 0.140 58.552 58.200 0.352 0.000 0.912 187 S CB -0.362 62.966 63.200 0.213 0.000 0.776 187 S HN 0.456 nan 8.310 nan 0.000 0.526 188 H N 2.207 121.364 119.070 0.144 0.000 2.439 188 H HA 0.453 5.015 4.556 0.010 0.000 0.230 188 H C -2.832 172.639 175.328 0.239 0.000 1.420 188 H CA -1.672 54.464 56.048 0.147 0.000 1.305 188 H CB 0.801 30.641 29.762 0.130 0.000 1.667 188 H HN 0.346 nan 8.280 nan 0.000 0.515 189 P HA 0.088 nan 4.420 nan 0.000 0.276 189 P C -0.066 177.109 177.300 -0.208 0.000 1.244 189 P CA -0.266 62.801 63.100 -0.055 0.000 0.801 189 P CB 1.903 33.546 31.700 -0.095 0.000 1.006 190 L N 1.415 122.415 121.223 -0.373 0.000 2.365 190 L HA 0.259 4.605 4.340 0.010 0.000 0.267 190 L C 1.617 178.270 176.870 -0.361 0.000 1.033 190 L CA -0.466 54.171 54.840 -0.339 0.000 0.802 190 L CB 1.066 42.839 42.059 -0.476 0.000 1.267 190 L HN 0.389 nan 8.230 nan 0.000 0.457 191 D N -0.504 119.799 120.400 -0.160 0.000 2.348 191 D HA -0.037 4.610 4.640 0.010 0.000 0.211 191 D C 0.146 176.583 176.300 0.227 0.000 0.998 191 D CA 0.196 54.213 54.000 0.029 0.000 0.873 191 D CB -0.071 40.790 40.800 0.101 0.000 0.925 191 D HN 0.217 nan 8.370 nan 0.000 0.524 192 F N -0.619 119.382 119.950 0.084 0.000 2.450 192 F HA 0.618 5.151 4.527 0.010 0.000 0.328 192 F C -0.484 175.340 175.800 0.041 0.000 1.068 192 F CA -2.059 55.983 58.000 0.069 0.000 1.007 192 F CB 1.161 40.178 39.000 0.028 0.000 1.251 192 F HN -0.126 nan 8.300 nan 0.000 0.492 193 C N 3.769 123.204 119.300 0.225 0.000 2.547 193 C HA 0.587 5.053 4.460 0.010 0.000 0.327 193 C C -2.830 172.266 174.990 0.177 0.000 1.076 193 C CA -2.034 57.034 59.018 0.083 0.000 1.390 193 C CB 0.109 27.836 27.740 -0.022 0.000 1.918 193 C HN 0.662 nan 8.230 nan 0.000 0.438 194 P HA 0.309 nan 4.420 nan 0.000 0.276 194 P C -0.643 176.714 177.300 0.094 0.000 1.230 194 P CA -0.011 63.187 63.100 0.163 0.000 0.776 194 P CB 0.420 32.220 31.700 0.167 0.000 0.888 195 I N 3.541 124.164 120.570 0.087 0.000 2.354 195 I HA 0.306 4.482 4.170 0.010 0.000 0.292 195 I C 0.008 176.083 176.117 -0.071 0.000 0.989 195 I CA -0.695 60.593 61.300 -0.020 0.000 1.188 195 I CB 1.266 39.193 38.000 -0.122 0.000 1.342 195 I HN 0.047 nan 8.210 nan 0.000 0.457 196 V N 4.945 124.811 119.914 -0.079 0.000 2.555 196 V HA 0.274 4.400 4.120 0.010 0.000 0.302 196 V C -0.052 175.980 176.094 -0.102 0.000 1.038 196 V CA -0.777 61.482 62.300 -0.068 0.000 0.887 196 V CB 2.372 34.189 31.823 -0.010 0.000 0.991 196 V HN 0.638 nan 8.190 nan 0.000 0.434 197 D N 3.117 123.454 120.400 -0.105 0.000 2.352 197 D HA 0.115 4.761 4.640 0.010 0.000 0.245 197 D C 1.231 177.500 176.300 -0.051 0.000 1.224 197 D CA 0.174 54.112 54.000 -0.102 0.000 0.879 197 D CB 1.670 42.413 40.800 -0.096 0.000 1.057 197 D HN 0.624 nan 8.370 nan 0.000 0.491 198 T N 3.255 117.787 114.554 -0.037 0.000 2.607 198 T HA -0.216 4.141 4.350 0.010 0.000 0.267 198 T C 1.558 176.251 174.700 -0.013 0.000 1.049 198 T CA 1.171 63.264 62.100 -0.011 0.000 1.162 198 T CB 0.001 68.871 68.868 0.003 0.000 0.863 198 T HN 0.549 nan 8.240 nan 0.000 0.424 199 E N 0.468 120.656 120.200 -0.020 0.000 2.031 199 E HA -0.166 4.190 4.350 0.010 0.000 0.193 199 E C 2.208 178.797 176.600 -0.018 0.000 0.994 199 E CA 0.960 57.348 56.400 -0.020 0.000 0.800 199 E CB 0.002 29.688 29.700 -0.024 0.000 0.752 199 E HN 0.315 nan 8.360 nan 0.000 0.447 200 E N 0.705 120.891 120.200 -0.023 0.000 2.338 200 E HA -0.079 4.277 4.350 0.010 0.000 0.197 200 E C 0.083 176.674 176.600 -0.016 0.000 1.007 200 E CA 0.292 56.681 56.400 -0.020 0.000 0.849 200 E CB -0.039 29.646 29.700 -0.024 0.000 0.774 200 E HN 0.205 nan 8.360 nan 0.000 0.506 201 K N 0.702 121.093 120.400 -0.016 0.000 3.653 201 K HA -0.231 4.095 4.320 0.010 0.000 0.275 201 K C -0.356 176.238 176.600 -0.009 0.000 0.962 201 K CA 0.830 57.112 56.287 -0.008 0.000 0.773 201 K CB -1.475 31.024 32.500 -0.003 0.000 1.463 201 K HN 0.305 nan 8.250 nan 0.000 0.450 202 K N -2.572 117.818 120.400 -0.017 0.000 2.578 202 K HA 0.357 4.683 4.320 0.010 0.000 0.269 202 K C -0.572 176.014 176.600 -0.023 0.000 0.941 202 K CA -1.139 55.139 56.287 -0.015 0.000 0.847 202 K CB 1.416 33.907 32.500 -0.014 0.000 1.397 202 K HN -0.109 nan 8.250 nan 0.000 0.422 203 V N 4.337 124.244 119.914 -0.013 0.000 2.485 203 V HA 0.035 4.161 4.120 0.010 0.000 0.287 203 V C 1.376 177.463 176.094 -0.012 0.000 1.022 203 V CA 0.112 62.405 62.300 -0.010 0.000 1.067 203 V CB 0.128 31.952 31.823 0.003 0.000 0.967 203 V HN 0.856 nan 8.190 nan 0.000 0.479 204 I N 1.950 122.504 120.570 -0.027 0.000 3.941 204 I HA 0.496 4.672 4.170 0.010 0.000 0.321 204 I C 0.185 176.409 176.117 0.178 0.000 1.284 204 I CA 0.550 61.856 61.300 0.009 0.000 1.226 204 I CB 0.415 38.349 38.000 -0.110 0.000 1.045 204 I HN 0.478 nan 8.210 nan 0.000 0.420 205 F N 0.892 120.823 119.950 -0.032 0.000 2.770 205 F HA 0.617 5.150 4.527 0.011 0.000 0.313 205 F C -1.930 173.909 175.800 0.066 0.000 1.154 205 F CA -0.934 57.109 58.000 0.070 0.000 0.923 205 F CB 1.759 40.892 39.000 0.222 0.000 1.301 205 F HN -0.250 nan 8.300 nan 0.000 0.449 206 I N 3.325 123.791 120.570 -0.173 0.000 2.512 206 I HA 0.258 4.434 4.170 0.010 0.000 0.287 206 I C -1.470 174.732 176.117 0.142 0.000 1.069 206 I CA -0.778 60.547 61.300 0.042 0.000 1.056 206 I CB 1.826 39.780 38.000 -0.077 0.000 1.229 206 I HN 0.349 nan 8.210 nan 0.000 0.429 207 D N 7.528 128.152 120.400 0.372 0.000 2.317 207 D HA 0.459 5.105 4.640 0.010 0.000 0.252 207 D C -0.299 176.163 176.300 0.270 0.000 1.174 207 D CA 0.320 54.568 54.000 0.413 0.000 0.866 207 D CB 1.637 42.669 40.800 0.385 0.000 1.127 207 D HN 0.281 nan 8.370 nan 0.000 0.467 208 I N 4.255 124.953 120.570 0.212 0.000 2.474 208 I HA 0.244 4.420 4.170 0.010 0.000 0.294 208 I C -1.934 174.279 176.117 0.159 0.000 1.005 208 I CA -1.949 59.452 61.300 0.168 0.000 1.113 208 I CB 2.165 40.204 38.000 0.065 0.000 1.289 208 I HN 0.111 nan 8.210 nan 0.000 0.436 209 P HA 0.173 nan 4.420 nan 0.000 0.274 209 P C -0.231 177.132 177.300 0.105 0.000 1.231 209 P CA -0.326 62.864 63.100 0.150 0.000 0.790 209 P CB 1.020 32.836 31.700 0.194 0.000 0.951 210 N N 0.656 119.407 118.700 0.084 0.000 2.244 210 N HA -0.084 4.662 4.740 0.010 0.000 0.183 210 N C 0.916 176.462 175.510 0.060 0.000 1.016 210 N CA 0.810 53.894 53.050 0.056 0.000 0.866 210 N CB 0.195 38.706 38.487 0.040 0.000 0.980 210 N HN 0.422 nan 8.380 nan 0.000 0.430 211 R N 1.926 122.475 120.500 0.081 0.000 2.215 211 R HA 0.142 4.488 4.340 0.010 0.000 0.336 211 R C -0.684 175.670 176.300 0.090 0.000 0.996 211 R CA -0.504 55.642 56.100 0.078 0.000 0.847 211 R CB 0.559 30.912 30.300 0.087 0.000 1.127 211 R HN -0.115 nan 8.270 nan 0.000 0.465 212 R N 3.323 123.863 120.500 0.068 0.000 2.441 212 R HA 0.269 4.616 4.340 0.010 0.000 0.284 212 R C -0.387 175.945 176.300 0.054 0.000 1.070 212 R CA -0.551 55.590 56.100 0.068 0.000 1.047 212 R CB 0.755 31.083 30.300 0.047 0.000 1.016 212 R HN 0.512 nan 8.270 nan 0.000 0.477 213 R N 1.388 121.919 120.500 0.050 0.000 2.483 213 R HA 0.295 4.641 4.340 0.010 0.000 0.303 213 R C -0.381 175.923 176.300 0.005 0.000 0.987 213 R CA -0.436 55.673 56.100 0.015 0.000 0.881 213 R CB 1.826 32.118 30.300 -0.013 0.000 1.177 213 R HN 0.382 nan 8.270 nan 0.000 0.451 214 K N 1.224 121.623 120.400 -0.001 0.000 2.138 214 K HA 0.303 4.630 4.320 0.010 0.000 0.251 214 K C 0.008 176.592 176.600 -0.026 0.000 1.015 214 K CA -0.768 55.515 56.287 -0.007 0.000 0.917 214 K CB 0.716 33.208 32.500 -0.013 0.000 1.021 214 K HN 0.216 nan 8.250 nan 0.000 0.485 215 V N 0.647 120.539 119.914 -0.037 0.000 2.953 215 V HA -0.103 4.023 4.120 0.010 0.000 0.304 215 V C 0.703 176.795 176.094 -0.002 0.000 1.138 215 V CA -0.184 62.096 62.300 -0.033 0.000 1.266 215 V CB 0.666 32.415 31.823 -0.123 0.000 0.923 215 V HN 0.786 nan 8.190 nan 0.000 0.505 216 S N 1.818 117.533 115.700 0.025 0.000 2.576 216 S HA 0.245 4.721 4.470 0.010 0.000 0.276 216 S C 0.580 175.245 174.600 0.108 0.000 1.339 216 S CA -0.368 57.827 58.200 -0.009 0.000 1.039 216 S CB 0.625 63.684 63.200 -0.235 0.000 0.902 216 S HN 0.774 nan 8.310 nan 0.000 0.516 217 K N 1.666 122.063 120.400 -0.005 0.000 2.397 217 K HA 0.211 4.538 4.320 0.010 0.000 0.202 217 K C -0.275 176.295 176.600 -0.050 0.000 1.022 217 K CA -0.044 56.230 56.287 -0.021 0.000 1.141 217 K CB 0.100 32.531 32.500 -0.115 0.000 0.857 217 K HN 0.686 nan 8.250 nan 0.000 0.514 218 H N 0.390 119.561 119.070 0.167 0.000 2.508 218 H HA 0.178 4.740 4.556 0.010 0.000 0.358 218 H C -0.094 175.443 175.328 0.348 0.000 1.212 218 H CA -0.211 55.942 56.048 0.174 0.000 1.356 218 H CB 0.754 30.541 29.762 0.043 0.000 1.525 218 H HN -0.178 nan 8.280 nan 0.000 0.578 219 K N 0.976 121.642 120.400 0.444 0.000 2.319 219 K HA 0.034 4.360 4.320 0.010 0.000 0.265 219 K C -0.388 176.509 176.600 0.494 0.000 1.000 219 K CA -0.080 56.444 56.287 0.395 0.000 0.943 219 K CB 0.278 32.957 32.500 0.298 0.000 0.950 219 K HN 0.524 nan 8.250 nan 0.000 0.485 220 H N -0.019 119.208 119.070 0.261 0.000 2.771 220 H HA 0.099 4.661 4.556 0.010 0.000 0.364 220 H C -0.189 175.148 175.328 0.015 0.000 1.133 220 H CA 0.373 56.531 56.048 0.183 0.000 1.423 220 H CB 0.764 30.480 29.762 -0.077 0.000 1.425 220 H HN 0.647 nan 8.280 nan 0.000 0.606 221 A N 4.071 126.820 122.820 -0.118 0.000 2.621 221 A HA 0.220 4.546 4.320 0.010 0.000 0.329 221 A C -0.161 177.257 177.584 -0.277 0.000 1.458 221 A CA -0.740 51.081 52.037 -0.360 0.000 1.052 221 A CB -0.511 18.016 19.000 -0.789 0.000 1.142 221 A HN 0.651 nan 8.150 nan 0.000 0.523 222 N N 0.849 119.389 118.700 -0.268 0.000 2.482 222 N HA 0.610 5.356 4.740 0.010 0.000 0.279 222 N C -0.073 175.299 175.510 -0.230 0.000 1.182 222 N CA -0.340 52.414 53.050 -0.493 0.000 0.969 222 N CB 1.089 38.924 38.487 -1.088 0.000 1.201 222 N HN 0.572 nan 8.380 nan 0.000 0.523 223 F N -2.288 117.611 119.950 -0.086 0.000 2.856 223 F HA 0.439 4.972 4.527 0.010 0.000 0.338 223 F C -0.205 175.637 175.800 0.070 0.000 1.100 223 F CA -0.805 57.178 58.000 -0.029 0.000 1.150 223 F CB -0.472 38.432 39.000 -0.161 0.000 1.101 223 F HN 0.203 nan 8.300 nan 0.000 0.548 224 Y N 2.613 123.027 120.300 0.190 0.000 2.326 224 Y HA 0.310 4.866 4.550 0.010 0.000 0.333 224 Y C -1.042 174.893 175.900 0.058 0.000 1.240 224 Y CA -1.611 56.575 58.100 0.143 0.000 1.365 224 Y CB 0.256 38.717 38.460 0.001 0.000 1.289 224 Y HN -0.231 nan 8.280 nan 0.000 0.548 225 P HA -0.309 nan 4.420 nan 0.000 0.218 225 P C 1.134 178.444 177.300 0.018 0.000 1.154 225 P CA 2.776 65.924 63.100 0.080 0.000 0.872 225 P CB 0.113 31.855 31.700 0.070 0.000 0.790 226 K N -1.011 119.341 120.400 -0.080 0.000 2.097 226 K HA -0.201 4.126 4.320 0.010 0.000 0.206 226 K C 1.742 178.274 176.600 -0.112 0.000 1.049 226 K CA 1.697 57.894 56.287 -0.150 0.000 0.933 226 K CB -1.203 31.131 32.500 -0.277 0.000 0.717 226 K HN 0.264 nan 8.250 nan 0.000 0.442 227 H N 0.210 119.295 119.070 0.024 0.000 2.357 227 H HA 0.053 4.615 4.556 0.010 0.000 0.301 227 H C 2.205 177.551 175.328 0.030 0.000 1.082 227 H CA 1.545 57.601 56.048 0.012 0.000 1.342 227 H CB 0.045 29.801 29.762 -0.010 0.000 1.389 227 H HN 0.077 nan 8.280 nan 0.000 0.511 228 M N 0.104 119.803 119.600 0.164 0.000 2.229 228 M HA -0.086 4.400 4.480 0.010 0.000 0.264 228 M C 2.262 178.607 176.300 0.075 0.000 1.063 228 M CA 1.175 56.541 55.300 0.110 0.000 1.114 228 M CB -0.606 32.052 32.600 0.096 0.000 1.387 228 M HN 0.299 nan 8.290 nan 0.000 0.420 229 I N -0.134 120.469 120.570 0.055 0.000 2.361 229 I HA -0.263 3.913 4.170 0.010 0.000 0.251 229 I C 2.477 178.620 176.117 0.043 0.000 1.133 229 I CA 1.136 62.459 61.300 0.038 0.000 1.413 229 I CB -0.196 37.815 38.000 0.018 0.000 1.073 229 I HN 0.363 nan 8.210 nan 0.000 0.424 230 E N 0.381 120.614 120.200 0.054 0.000 2.076 230 E HA -0.215 4.141 4.350 0.010 0.000 0.190 230 E C 2.074 178.716 176.600 0.070 0.000 0.979 230 E CA 0.809 57.245 56.400 0.059 0.000 0.807 230 E CB 0.141 29.883 29.700 0.070 0.000 0.761 230 E HN 0.321 nan 8.360 nan 0.000 0.454 231 K N 0.704 121.155 120.400 0.084 0.000 1.973 231 K HA -0.096 4.230 4.320 0.010 0.000 0.212 231 K C 1.127 177.770 176.600 0.072 0.000 1.047 231 K CA 1.349 57.688 56.287 0.087 0.000 0.937 231 K CB -0.040 32.517 32.500 0.096 0.000 0.721 231 K HN 0.016 nan 8.250 nan 0.000 0.440 232 V N -2.287 117.665 119.914 0.064 0.000 2.966 232 V HA 0.459 4.585 4.120 0.010 0.000 0.317 232 V C 1.309 177.430 176.094 0.045 0.000 1.070 232 V CA -0.278 62.053 62.300 0.053 0.000 1.008 232 V CB 1.019 32.872 31.823 0.049 0.000 1.070 232 V HN 0.396 nan 8.190 nan 0.000 0.457 233 G N 1.156 109.979 108.800 0.038 0.000 2.529 233 G HA2 0.217 4.184 3.960 0.010 0.000 0.219 233 G HA3 0.217 4.184 3.960 0.010 0.000 0.219 233 G C 0.539 175.456 174.900 0.029 0.000 1.177 233 G CA 1.490 46.609 45.100 0.032 0.000 0.773 233 G HN 1.748 nan 8.290 nan 0.000 0.573 234 A N -2.105 120.732 122.820 0.029 0.000 2.515 234 A HA 0.716 5.043 4.320 0.010 0.000 0.299 234 A C -0.589 177.011 177.584 0.027 0.000 1.179 234 A CA -0.658 51.395 52.037 0.025 0.000 0.656 234 A CB 0.668 19.680 19.000 0.020 0.000 1.306 234 A HN 0.032 nan 8.150 nan 0.000 0.459 235 M N 0.683 120.298 119.600 0.024 0.000 2.283 235 M HA 0.400 4.887 4.480 0.010 0.000 0.314 235 M C 0.430 176.741 176.300 0.019 0.000 1.153 235 M CA -0.117 55.197 55.300 0.024 0.000 1.084 235 M CB 0.510 33.124 32.600 0.024 0.000 1.468 235 M HN 0.718 nan 8.290 nan 0.000 0.474 236 R N 0.881 121.392 120.500 0.018 0.000 2.594 236 R HA 0.332 4.678 4.340 0.010 0.000 0.272 236 R C -2.074 174.233 176.300 0.012 0.000 1.074 236 R CA -1.378 54.731 56.100 0.014 0.000 1.105 236 R CB -0.415 29.892 30.300 0.012 0.000 1.008 236 R HN 0.370 nan 8.270 nan 0.000 0.472 237 P HA -0.015 nan 4.420 nan 0.000 0.269 237 P C -0.571 176.734 177.300 0.009 0.000 1.209 237 P CA -0.222 62.884 63.100 0.010 0.000 0.776 237 P CB 0.484 32.189 31.700 0.009 0.000 0.876 238 E N 1.137 121.342 120.200 0.009 0.000 2.481 238 E HA 0.266 4.622 4.350 0.010 0.000 0.263 238 E C -0.422 176.182 176.600 0.007 0.000 0.992 238 E CA 0.067 56.472 56.400 0.008 0.000 0.938 238 E CB 0.183 29.888 29.700 0.008 0.000 0.933 238 E HN 0.498 nan 8.360 nan 0.000 0.453 239 A N 5.009 127.833 122.820 0.006 0.000 2.303 239 A HA 0.549 4.875 4.320 0.010 0.000 0.317 239 A C -2.193 175.394 177.584 0.005 0.000 1.149 239 A CA -1.564 50.477 52.037 0.005 0.000 0.822 239 A CB 0.202 19.204 19.000 0.004 0.000 1.131 239 A HN 0.620 nan 8.150 nan 0.000 0.493 240 P HA 0.161 nan 4.420 nan 0.000 0.263 240 P C -2.290 175.013 177.300 0.006 0.000 1.175 240 P CA -0.240 62.863 63.100 0.005 0.000 0.761 240 P CB -0.229 31.474 31.700 0.005 0.000 0.794 241 P HA 0.290 nan 4.420 nan 0.000 0.276 241 P C -0.660 176.645 177.300 0.008 0.000 1.244 241 P CA 0.005 63.110 63.100 0.008 0.000 0.801 241 P CB 0.966 32.672 31.700 0.009 0.000 1.006 242 I N 2.312 122.887 120.570 0.009 0.000 2.420 242 I HA 0.236 4.412 4.170 0.010 0.000 0.282 242 I C -0.085 176.041 176.117 0.013 0.000 1.019 242 I CA -0.633 60.673 61.300 0.010 0.000 1.130 242 I CB 0.970 38.976 38.000 0.009 0.000 1.262 242 I HN 0.159 nan 8.210 nan 0.000 0.454 243 N N 5.973 124.682 118.700 0.015 0.000 2.456 243 N HA 0.428 5.174 4.740 0.010 0.000 0.288 243 N C -0.662 174.861 175.510 0.022 0.000 1.059 243 N CA -0.418 52.642 53.050 0.018 0.000 0.946 243 N CB 2.885 41.382 38.487 0.016 0.000 1.150 243 N HN 0.160 nan 8.380 nan 0.000 0.479 244 V N 1.227 121.157 119.914 0.027 0.000 2.384 244 V HA 0.491 4.618 4.120 0.010 0.000 0.287 244 V C 0.400 176.516 176.094 0.036 0.000 1.020 244 V CA -0.573 61.748 62.300 0.035 0.000 0.850 244 V CB 1.321 33.171 31.823 0.046 0.000 0.987 244 V HN 0.834 nan 8.190 nan 0.000 0.436 245 T N 2.609 117.184 114.554 0.036 0.000 2.893 245 T HA 0.583 4.939 4.350 0.010 0.000 0.293 245 T C -0.811 173.911 174.700 0.036 0.000 1.027 245 T CA -0.657 61.463 62.100 0.033 0.000 0.988 245 T CB 2.110 70.993 68.868 0.025 0.000 1.043 245 T HN 0.581 nan 8.240 nan 0.000 0.461 246 Q N 3.217 123.038 119.800 0.035 0.000 2.907 246 Q HA 0.275 4.622 4.340 0.010 0.000 0.262 246 Q C -1.663 174.348 176.000 0.018 0.000 0.997 246 Q CA -2.104 53.719 55.803 0.033 0.000 0.797 246 Q CB 1.672 30.436 28.738 0.043 0.000 1.228 246 Q HN 0.614 nan 8.270 nan 0.000 0.466 247 P HA -0.218 nan 4.420 nan 0.000 0.216 247 P C 0.029 177.331 177.300 0.003 0.000 1.153 247 P CA 1.444 64.549 63.100 0.009 0.000 0.858 247 P CB 0.417 32.123 31.700 0.010 0.000 0.789 248 E N -0.436 119.765 120.200 0.002 0.000 2.451 248 E HA 0.399 4.756 4.350 0.010 0.000 0.194 248 E C 0.883 177.472 176.600 -0.018 0.000 1.027 248 E CA 0.037 56.433 56.400 -0.006 0.000 0.914 248 E CB 0.005 29.703 29.700 -0.004 0.000 1.054 248 E HN 0.264 nan 8.360 nan 0.000 0.461 249 G N 0.580 109.368 108.800 -0.021 0.000 2.660 249 G HA2 -0.208 3.759 3.960 0.010 0.000 0.247 249 G HA3 -0.208 3.759 3.960 0.010 0.000 0.247 249 G C -0.208 174.658 174.900 -0.056 0.000 1.328 249 G CA -0.575 44.496 45.100 -0.049 0.000 0.884 249 G HN 0.437 nan 8.290 nan 0.000 0.531 250 V N -2.502 117.325 119.914 -0.145 0.000 2.966 250 V HA 0.858 4.984 4.120 0.010 0.000 0.317 250 V C 1.509 177.510 176.094 -0.156 0.000 1.070 250 V CA 0.833 63.032 62.300 -0.167 0.000 1.008 250 V CB 1.473 33.006 31.823 -0.483 0.000 1.070 250 V HN 2.317 nan 8.190 nan 0.000 0.457 251 S N 1.608 117.332 115.700 0.039 0.000 2.528 251 S HA 0.171 4.647 4.470 0.010 0.000 0.219 251 S C 0.506 175.224 174.600 0.196 0.000 0.985 251 S CA -0.030 58.234 58.200 0.107 0.000 0.914 251 S CB -0.747 62.560 63.200 0.178 0.000 0.776 251 S HN 1.018 nan 8.310 nan 0.000 0.526 252 F N 1.376 121.473 119.950 0.244 0.000 2.371 252 F HA 0.743 5.276 4.527 0.011 0.000 0.329 252 F C -0.180 175.655 175.800 0.059 0.000 1.107 252 F CA -1.298 56.829 58.000 0.211 0.000 1.137 252 F CB 0.798 39.890 39.000 0.153 0.000 1.214 252 F HN -0.056 nan 8.300 nan 0.000 0.536 253 K N 4.410 124.955 120.400 0.240 0.000 2.463 253 K HA 0.474 4.801 4.320 0.010 0.000 0.255 253 K C -1.621 175.032 176.600 0.088 0.000 0.942 253 K CA -0.689 55.652 56.287 0.090 0.000 0.814 253 K CB 1.287 33.805 32.500 0.030 0.000 1.122 253 K HN 0.910 nan 8.250 nan 0.000 0.425 254 M N 2.981 122.619 119.600 0.063 0.000 2.294 254 M HA 0.242 4.728 4.480 0.010 0.000 0.335 254 M C -0.747 175.554 176.300 0.003 0.000 1.079 254 M CA -0.639 54.641 55.300 -0.033 0.000 0.982 254 M CB 2.149 34.657 32.600 -0.154 0.000 1.651 254 M HN 0.532 nan 8.290 nan 0.000 0.437 255 T N 2.739 117.285 114.554 -0.014 0.000 3.154 255 T HA 0.530 4.886 4.350 0.010 0.000 0.381 255 T C 0.640 175.360 174.700 0.034 0.000 1.368 255 T CA 0.265 62.382 62.100 0.027 0.000 1.155 255 T CB 0.659 69.550 68.868 0.039 0.000 1.120 255 T HN 1.087 nan 8.240 nan 0.000 0.570 256 G N 3.868 112.694 108.800 0.043 0.000 2.552 256 G HA2 -0.294 3.673 3.960 0.010 0.000 0.267 256 G HA3 -0.294 3.673 3.960 0.010 0.000 0.267 256 G C 0.715 175.599 174.900 -0.026 0.000 1.174 256 G CA -0.044 45.083 45.100 0.045 0.000 0.955 256 G HN 0.516 nan 8.290 nan 0.000 0.546 257 N N 0.481 119.120 118.700 -0.102 0.000 2.299 257 N HA 0.200 4.946 4.740 0.010 0.000 0.187 257 N C 0.660 175.931 175.510 -0.397 0.000 1.099 257 N CA 0.667 53.536 53.050 -0.302 0.000 0.867 257 N CB 0.867 39.031 38.487 -0.540 0.000 0.974 257 N HN 0.397 nan 8.380 nan 0.000 0.477 258 V N 2.565 122.348 119.914 -0.219 0.000 2.508 258 V HA 0.118 4.245 4.120 0.010 0.000 0.281 258 V C 0.361 176.287 176.094 -0.280 0.000 1.041 258 V CA -0.241 61.945 62.300 -0.191 0.000 1.016 258 V CB 0.932 32.760 31.823 0.008 0.000 0.984 258 V HN 0.132 nan 8.190 nan 0.000 0.478 259 M N 5.390 124.679 119.600 -0.517 0.000 2.472 259 M HA 0.556 5.042 4.480 0.010 0.000 0.331 259 M C -0.652 175.345 176.300 -0.504 0.000 1.170 259 M CA 0.230 55.147 55.300 -0.639 0.000 1.009 259 M CB 1.615 33.512 32.600 -1.172 0.000 1.672 259 M HN 0.654 nan 8.290 nan 0.000 0.453 260 E N 3.506 123.576 120.200 -0.217 0.000 2.260 260 E HA 0.468 4.824 4.350 0.010 0.000 0.266 260 E C -2.273 174.422 176.600 0.158 0.000 0.887 260 E CA -0.314 56.060 56.400 -0.044 0.000 0.777 260 E CB 1.863 31.551 29.700 -0.019 0.000 1.205 260 E HN 0.787 nan 8.360 nan 0.000 0.414 261 W N 2.199 123.487 121.300 -0.020 0.000 3.800 261 W HA 0.178 4.844 4.660 0.010 0.000 0.299 261 W C -0.482 176.113 176.519 0.126 0.000 1.231 261 W CA -0.281 57.108 57.345 0.074 0.000 1.232 261 W CB 1.326 30.839 29.460 0.088 0.000 1.291 261 W HN 0.453 nan 8.180 nan 0.000 0.514 262 S N 4.879 120.164 115.700 -0.692 0.000 3.549 262 S HA -0.301 4.175 4.470 0.010 0.000 0.366 262 S C 0.746 175.032 174.600 -0.523 0.000 1.012 262 S CA 1.827 59.572 58.200 -0.759 0.000 1.141 262 S CB -1.290 61.101 63.200 -1.347 0.000 0.910 262 S HN 0.883 nan 8.310 nan 0.000 0.471 263 N N -2.779 115.639 118.700 -0.469 0.000 2.972 263 N HA -0.172 4.574 4.740 0.010 0.000 0.225 263 N C -0.204 174.942 175.510 -0.605 0.000 0.883 263 N CA 1.683 54.299 53.050 -0.722 0.000 1.010 263 N CB -1.352 36.272 38.487 -1.438 0.000 1.052 263 N HN 0.539 nan 8.380 nan 0.000 0.598 264 F N 1.415 121.300 119.950 -0.108 0.000 2.389 264 F HA 0.482 5.015 4.527 0.010 0.000 0.337 264 F C 0.944 176.799 175.800 0.092 0.000 1.112 264 F CA 0.136 58.234 58.000 0.163 0.000 1.192 264 F CB 0.953 40.204 39.000 0.418 0.000 1.185 264 F HN -0.196 nan 8.300 nan 0.000 0.552 265 K N 4.204 124.852 120.400 0.413 0.000 2.535 265 K HA 0.537 4.863 4.320 0.010 0.000 0.251 265 K C -1.855 174.934 176.600 0.315 0.000 0.942 265 K CA -0.440 55.946 56.287 0.166 0.000 0.798 265 K CB 1.786 34.351 32.500 0.110 0.000 1.267 265 K HN 0.551 nan 8.250 nan 0.000 0.434 266 F N -0.451 119.509 119.950 0.017 0.000 2.773 266 F HA 0.409 4.942 4.527 0.010 0.000 0.314 266 F C -1.451 174.339 175.800 -0.016 0.000 1.160 266 F CA -1.202 56.805 58.000 0.013 0.000 0.920 266 F CB 0.920 39.889 39.000 -0.052 0.000 1.323 266 F HN 0.407 nan 8.300 nan 0.000 0.457 267 H N 2.126 121.280 119.070 0.140 0.000 2.458 267 H HA 0.575 5.138 4.556 0.011 0.000 0.330 267 H C -1.221 174.122 175.328 0.024 0.000 1.111 267 H CA -0.663 55.343 56.048 -0.069 0.000 1.245 267 H CB 1.659 31.262 29.762 -0.265 0.000 1.456 267 H HN 0.729 nan 8.280 nan 0.000 0.488 268 I N 5.328 125.641 120.570 -0.427 0.000 2.337 268 I HA 0.239 4.415 4.170 0.010 0.000 0.285 268 I C 0.953 176.950 176.117 -0.200 0.000 1.041 268 I CA -0.398 60.798 61.300 -0.173 0.000 1.199 268 I CB 1.052 38.971 38.000 -0.136 0.000 1.370 268 I HN 0.529 nan 8.210 nan 0.000 0.470 269 G N 4.975 113.815 108.800 0.067 0.000 2.552 269 G HA2 0.708 4.674 3.960 0.010 0.000 0.318 269 G HA3 0.708 4.674 3.960 0.010 0.000 0.318 269 G C -1.493 173.548 174.900 0.236 0.000 1.240 269 G CA -0.334 44.884 45.100 0.195 0.000 1.002 269 G HN 0.383 nan 8.290 nan 0.000 0.493 270 F N 0.423 120.411 119.950 0.063 0.000 2.672 270 F HA 0.455 4.989 4.527 0.011 0.000 0.311 270 F C -1.118 174.760 175.800 0.129 0.000 1.113 270 F CA -0.903 57.141 58.000 0.073 0.000 0.996 270 F CB 2.111 41.157 39.000 0.076 0.000 1.286 270 F HN 0.814 nan 8.300 nan 0.000 0.441 271 N N 2.115 120.701 118.700 -0.190 0.000 2.732 271 N HA 0.230 4.976 4.740 0.010 0.000 0.259 271 N C 0.134 175.527 175.510 -0.195 0.000 1.402 271 N CA -0.497 52.581 53.050 0.047 0.000 0.829 271 N CB 0.408 38.923 38.487 0.047 0.000 1.495 271 N HN 0.534 nan 8.380 nan 0.000 0.511 272 Y N -0.782 119.352 120.300 -0.277 0.000 2.241 272 Y HA 0.005 4.560 4.550 0.009 0.000 0.286 272 Y C 2.066 177.461 175.900 -0.841 0.000 1.166 272 Y CA 1.358 58.895 58.100 -0.939 0.000 1.203 272 Y CB -0.387 37.214 38.460 -1.432 0.000 0.977 272 Y HN 0.600 nan 8.280 nan 0.000 0.529 273 R N 0.274 119.829 120.500 -1.574 0.000 2.039 273 R HA 0.037 4.384 4.340 0.010 0.000 0.218 273 R C 2.193 178.049 176.300 -0.740 0.000 1.220 273 R CA 1.141 56.489 56.100 -1.253 0.000 0.993 273 R CB -0.065 29.333 30.300 -1.503 0.000 0.881 273 R HN 0.416 nan 8.270 nan 0.000 0.450 274 E N -0.371 119.488 120.200 -0.569 0.000 2.274 274 E HA 0.078 4.434 4.350 0.010 0.000 0.194 274 E C 0.865 177.236 176.600 -0.382 0.000 0.996 274 E CA 0.500 56.693 56.400 -0.345 0.000 0.840 274 E CB 0.260 29.848 29.700 -0.188 0.000 0.772 274 E HN 0.556 nan 8.360 nan 0.000 0.491 275 G N 1.419 109.827 108.800 -0.653 0.000 2.509 275 G HA2 -0.319 3.647 3.960 0.010 0.000 0.256 275 G HA3 -0.319 3.647 3.960 0.010 0.000 0.256 275 G C -0.026 174.357 174.900 -0.861 0.000 1.152 275 G CA -0.290 44.238 45.100 -0.954 0.000 0.951 275 G HN 0.163 nan 8.290 nan 0.000 0.559 276 I N 0.992 121.417 120.570 -0.242 0.000 2.710 276 I HA 0.355 4.531 4.170 0.010 0.000 0.286 276 I C 0.347 176.346 176.117 -0.196 0.000 1.181 276 I CA 0.104 61.403 61.300 -0.001 0.000 1.430 276 I CB 0.882 38.978 38.000 0.161 0.000 1.367 276 I HN 0.370 nan 8.210 nan 0.000 0.577 277 V N 7.652 127.450 119.914 -0.193 0.000 2.482 277 V HA 0.354 4.480 4.120 0.010 0.000 0.295 277 V C -0.180 175.760 176.094 -0.257 0.000 1.026 277 V CA -0.571 61.570 62.300 -0.265 0.000 0.856 277 V CB 1.579 33.304 31.823 -0.162 0.000 1.001 277 V HN 0.437 nan 8.190 nan 0.000 0.424 278 L N 3.928 124.898 121.223 -0.421 0.000 2.275 278 L HA 0.692 5.039 4.340 0.010 0.000 0.288 278 L C 0.248 176.990 176.870 -0.213 0.000 1.046 278 L CA 0.137 54.798 54.840 -0.298 0.000 0.805 278 L CB 1.585 43.349 42.059 -0.493 0.000 1.193 278 L HN 0.620 nan 8.230 nan 0.000 0.426 279 S N 0.569 116.223 115.700 -0.076 0.000 2.634 279 S HA 0.290 4.766 4.470 0.010 0.000 0.296 279 S C -0.473 174.110 174.600 -0.028 0.000 1.104 279 S CA -0.580 57.519 58.200 -0.168 0.000 0.920 279 S CB 1.718 64.736 63.200 -0.304 0.000 1.111 279 S HN 0.758 nan 8.310 nan 0.000 0.493 280 D N 1.055 121.383 120.400 -0.119 0.000 2.735 280 D HA -0.145 4.501 4.640 0.010 0.000 0.235 280 D C -0.641 175.789 176.300 0.216 0.000 1.175 280 D CA 0.377 54.442 54.000 0.109 0.000 0.683 280 D CB -1.165 39.786 40.800 0.252 0.000 1.008 280 D HN 0.231 nan 8.370 nan 0.000 0.416 281 V N 1.020 121.048 119.914 0.190 0.000 2.530 281 V HA 0.599 4.726 4.120 0.010 0.000 0.282 281 V C 0.918 177.152 176.094 0.232 0.000 1.048 281 V CA 0.392 62.844 62.300 0.254 0.000 0.997 281 V CB 1.532 33.469 31.823 0.189 0.000 0.987 281 V HN 0.521 nan 8.190 nan 0.000 0.477 282 S N 4.284 120.180 115.700 0.327 0.000 2.638 282 S HA 0.759 5.235 4.470 0.010 0.000 0.274 282 S C -1.469 173.351 174.600 0.366 0.000 1.157 282 S CA -0.782 57.587 58.200 0.282 0.000 0.826 282 S CB 2.004 65.334 63.200 0.216 0.000 1.139 282 S HN 0.616 nan 8.310 nan 0.000 0.474 283 Y N 1.530 121.921 120.300 0.152 0.000 2.373 283 Y HA 0.523 5.079 4.550 0.010 0.000 0.336 283 Y C -0.619 175.328 175.900 0.078 0.000 0.979 283 Y CA -0.728 57.404 58.100 0.055 0.000 1.080 283 Y CB 1.684 40.175 38.460 0.053 0.000 1.190 283 Y HN 0.862 nan 8.280 nan 0.000 0.446 284 N N 4.754 123.233 118.700 -0.368 0.000 2.508 284 N HA 0.003 4.750 4.740 0.010 0.000 0.253 284 N C -1.004 174.455 175.510 -0.085 0.000 1.145 284 N CA 0.157 53.096 53.050 -0.184 0.000 0.973 284 N CB 0.156 38.493 38.487 -0.250 0.000 1.305 284 N HN 0.674 nan 8.380 nan 0.000 0.506 285 D N 2.490 123.045 120.400 0.259 0.000 2.551 285 D HA 0.032 4.679 4.640 0.010 0.000 0.223 285 D C -0.364 176.048 176.300 0.188 0.000 1.144 285 D CA 0.018 54.231 54.000 0.354 0.000 1.025 285 D CB -0.901 40.160 40.800 0.435 0.000 1.085 285 D HN 0.554 nan 8.370 nan 0.000 0.506 286 H N 1.214 120.342 119.070 0.098 0.000 2.604 286 H HA -0.207 4.355 4.556 0.010 0.000 0.321 286 H C 1.460 176.802 175.328 0.023 0.000 1.132 286 H CA 0.925 56.995 56.048 0.037 0.000 1.129 286 H CB -0.924 28.862 29.762 0.040 0.000 1.526 286 H HN 0.662 nan 8.280 nan 0.000 0.415 287 G N -0.178 108.667 108.800 0.074 0.000 2.313 287 G HA2 -0.329 3.637 3.960 0.010 0.000 0.215 287 G HA3 -0.329 3.637 3.960 0.010 0.000 0.215 287 G C 0.255 175.182 174.900 0.046 0.000 1.023 287 G CA 0.017 45.147 45.100 0.051 0.000 0.626 287 G HN 0.703 nan 8.290 nan 0.000 0.503 288 N N 0.968 119.712 118.700 0.074 0.000 2.469 288 N HA 0.423 5.169 4.740 0.010 0.000 0.239 288 N C 0.013 175.575 175.510 0.087 0.000 1.053 288 N CA -0.274 52.815 53.050 0.066 0.000 0.937 288 N CB 0.727 39.253 38.487 0.065 0.000 1.163 288 N HN 0.104 nan 8.380 nan 0.000 0.509 289 V N 4.604 124.557 119.914 0.065 0.000 2.405 289 V HA 0.220 4.347 4.120 0.010 0.000 0.264 289 V C 0.411 176.573 176.094 0.113 0.000 1.048 289 V CA -0.159 62.193 62.300 0.086 0.000 0.966 289 V CB 0.198 32.053 31.823 0.054 0.000 1.015 289 V HN 0.608 nan 8.190 nan 0.000 0.477 290 R N 5.808 126.419 120.500 0.185 0.000 2.445 290 R HA 0.497 4.843 4.340 0.010 0.000 0.308 290 R C -2.759 173.682 176.300 0.235 0.000 0.961 290 R CA -1.847 54.370 56.100 0.194 0.000 0.862 290 R CB 1.728 32.153 30.300 0.209 0.000 1.144 290 R HN 0.407 nan 8.270 nan 0.000 0.447 291 P HA 0.164 nan 4.420 nan 0.000 0.274 291 P C -0.190 177.159 177.300 0.082 0.000 1.231 291 P CA -0.032 63.150 63.100 0.136 0.000 0.790 291 P CB 0.903 32.673 31.700 0.117 0.000 0.951 292 I N -0.588 119.932 120.570 -0.083 0.000 3.746 292 I HA 0.221 4.398 4.170 0.010 0.000 0.262 292 I C -0.094 175.703 176.117 -0.534 0.000 1.153 292 I CA 0.465 61.464 61.300 -0.502 0.000 1.395 292 I CB 0.263 37.701 38.000 -0.937 0.000 1.589 292 I HN 0.114 nan 8.210 nan 0.000 0.441 293 F N -0.081 119.818 119.950 -0.085 0.000 2.576 293 F HA 0.369 4.902 4.527 0.010 0.000 0.313 293 F C 0.981 176.771 175.800 -0.016 0.000 1.078 293 F CA -1.019 56.929 58.000 -0.087 0.000 0.921 293 F CB 0.892 39.793 39.000 -0.166 0.000 1.232 293 F HN -0.046 nan 8.300 nan 0.000 0.459 294 H N 1.441 120.573 119.070 0.104 0.000 2.486 294 H HA 0.303 4.865 4.556 0.011 0.000 0.287 294 H C 0.096 175.386 175.328 -0.063 0.000 1.010 294 H CA 0.755 56.803 56.048 0.001 0.000 1.324 294 H CB 0.620 30.338 29.762 -0.073 0.000 1.446 294 H HN 0.592 nan 8.280 nan 0.000 0.537 295 R N 0.401 120.820 120.500 -0.135 0.000 2.634 295 R HA 0.395 4.741 4.340 0.010 0.000 0.263 295 R C -2.210 173.924 176.300 -0.276 0.000 1.060 295 R CA -0.542 55.406 56.100 -0.253 0.000 0.898 295 R CB 1.885 32.041 30.300 -0.241 0.000 1.253 295 R HN 0.222 nan 8.270 nan 0.000 0.461 296 I N 2.528 122.889 120.570 -0.349 0.000 2.722 296 I HA 0.555 4.731 4.170 0.010 0.000 0.292 296 I C -1.633 174.205 176.117 -0.464 0.000 1.267 296 I CA -0.055 60.992 61.300 -0.422 0.000 1.036 296 I CB 2.142 39.826 38.000 -0.527 0.000 1.281 296 I HN 0.975 nan 8.210 nan 0.000 0.423 297 S N 6.060 121.601 115.700 -0.266 0.000 2.669 297 S HA 0.516 4.992 4.470 0.010 0.000 0.266 297 S C -1.762 172.918 174.600 0.134 0.000 1.149 297 S CA -1.079 57.055 58.200 -0.110 0.000 0.842 297 S CB 0.997 64.093 63.200 -0.173 0.000 1.160 297 S HN 0.599 nan 8.310 nan 0.000 0.487 298 L N 2.548 123.901 121.223 0.216 0.000 2.264 298 L HA 0.508 4.854 4.340 0.010 0.000 0.289 298 L C 1.198 178.097 176.870 0.049 0.000 1.044 298 L CA -0.230 54.711 54.840 0.169 0.000 0.807 298 L CB 1.759 43.956 42.059 0.229 0.000 1.192 298 L HN 1.011 nan 8.230 nan 0.000 0.425 299 S N 0.728 116.436 115.700 0.013 0.000 2.517 299 S HA 0.204 4.680 4.470 0.010 0.000 0.214 299 S C 0.304 174.897 174.600 -0.012 0.000 0.991 299 S CA -0.149 58.094 58.200 0.072 0.000 0.906 299 S CB 0.426 63.715 63.200 0.149 0.000 0.789 299 S HN 0.669 nan 8.310 nan 0.000 0.513 300 E N -0.697 119.380 120.200 -0.206 0.000 2.411 300 E HA 0.628 4.984 4.350 0.010 0.000 0.279 300 E C -1.770 174.628 176.600 -0.337 0.000 1.132 300 E CA -0.450 55.767 56.400 -0.306 0.000 0.876 300 E CB 0.847 30.273 29.700 -0.457 0.000 1.335 300 E HN 0.305 nan 8.360 nan 0.000 0.436 301 M N 1.282 120.802 119.600 -0.133 0.000 2.755 301 M HA 0.680 5.166 4.480 0.010 0.000 0.273 301 M C -1.325 175.099 176.300 0.207 0.000 1.278 301 M CA -1.013 54.256 55.300 -0.051 0.000 0.819 301 M CB 2.540 34.969 32.600 -0.286 0.000 1.694 301 M HN 0.558 nan 8.290 nan 0.000 0.460 302 I N 0.563 121.198 120.570 0.109 0.000 2.715 302 I HA 0.380 4.556 4.170 0.010 0.000 0.288 302 I C -1.732 174.369 176.117 -0.026 0.000 1.371 302 I CA -0.454 60.892 61.300 0.077 0.000 1.056 302 I CB 1.850 39.878 38.000 0.047 0.000 1.339 302 I HN 0.420 nan 8.210 nan 0.000 0.425 303 V N 9.089 129.017 119.914 0.024 0.000 2.271 303 V HA 0.352 4.478 4.120 0.010 0.000 0.259 303 V C -2.220 173.920 176.094 0.075 0.000 1.030 303 V CA -1.244 61.044 62.300 -0.021 0.000 0.957 303 V CB 0.512 32.355 31.823 0.033 0.000 1.186 303 V HN 0.520 nan 8.190 nan 0.000 0.471 304 P HA 0.159 nan 4.420 nan 0.000 0.271 304 P C -0.836 176.453 177.300 -0.017 0.000 1.226 304 P CA 0.062 63.211 63.100 0.083 0.000 0.765 304 P CB 0.732 32.415 31.700 -0.029 0.000 0.835 305 Y N 1.366 121.722 120.300 0.093 0.000 2.316 305 Y HA 0.427 4.983 4.550 0.010 0.000 0.324 305 Y C 1.948 177.848 175.900 -0.000 0.000 1.267 305 Y CA 0.484 58.638 58.100 0.090 0.000 1.311 305 Y CB 0.780 39.304 38.460 0.107 0.000 1.267 305 Y HN 0.470 nan 8.280 nan 0.000 0.516 306 G N 0.206 109.050 108.800 0.074 0.000 3.690 306 G HA2 0.090 4.057 3.960 0.010 0.000 0.283 306 G HA3 0.090 4.057 3.960 0.010 0.000 0.283 306 G C -0.288 174.524 174.900 -0.146 0.000 1.057 306 G CA -0.173 44.919 45.100 -0.014 0.000 0.821 306 G HN 0.431 nan 8.290 nan 0.000 0.526 307 S N 1.231 116.781 115.700 -0.250 0.000 2.457 307 S HA 0.500 4.976 4.470 0.010 0.000 0.289 307 S C -1.077 173.239 174.600 -0.472 0.000 1.163 307 S CA -1.438 56.459 58.200 -0.505 0.000 1.078 307 S CB 1.895 64.653 63.200 -0.737 0.000 0.987 307 S HN 0.082 nan 8.310 nan 0.000 0.482 308 P HA 0.102 nan 4.420 nan 0.000 0.249 308 P C -0.391 176.776 177.300 -0.221 0.000 1.229 308 P CA 0.135 62.976 63.100 -0.432 0.000 0.788 308 P CB 0.069 31.443 31.700 -0.543 0.000 1.072 309 E N 0.272 120.374 120.200 -0.163 0.000 2.360 309 E HA 0.116 4.473 4.350 0.010 0.000 0.269 309 E C -0.392 176.146 176.600 -0.104 0.000 1.022 309 E CA -0.758 55.621 56.400 -0.034 0.000 0.887 309 E CB 0.434 30.176 29.700 0.071 0.000 0.990 309 E HN 0.056 nan 8.360 nan 0.000 0.426 310 F N 5.019 124.847 119.950 -0.204 0.000 2.572 310 F HA 0.057 4.590 4.527 0.010 0.000 0.370 310 F C -1.401 174.111 175.800 -0.481 0.000 1.103 310 F CA -1.541 56.303 58.000 -0.260 0.000 1.286 310 F CB 0.813 39.721 39.000 -0.153 0.000 1.105 310 F HN 0.320 nan 8.300 nan 0.000 0.583 311 P HA 0.134 nan 4.420 nan 0.000 0.262 311 P C -0.140 176.704 177.300 -0.759 0.000 1.651 311 P CA 0.299 62.600 63.100 -1.332 0.000 1.119 311 P CB -0.385 30.638 31.700 -1.129 0.000 1.552 312 H N 0.053 118.885 119.070 -0.397 0.000 2.567 312 H HA -0.060 4.502 4.556 0.010 0.000 0.276 312 H C 1.437 176.661 175.328 -0.173 0.000 1.016 312 H CA 0.534 56.409 56.048 -0.288 0.000 1.186 312 H CB -0.245 29.364 29.762 -0.254 0.000 1.351 312 H HN 0.271 nan 8.280 nan 0.000 0.605 313 Q N 0.465 120.204 119.800 -0.102 0.000 2.311 313 Q HA 0.014 4.360 4.340 0.010 0.000 0.203 313 Q C 1.581 177.682 176.000 0.170 0.000 0.954 313 Q CA 0.615 56.420 55.803 0.003 0.000 0.885 313 Q CB 0.103 28.814 28.738 -0.043 0.000 0.963 313 Q HN 0.328 nan 8.270 nan 0.000 0.471 314 R N 0.954 121.464 120.500 0.017 0.000 2.339 314 R HA 0.076 4.422 4.340 0.010 0.000 0.199 314 R C -0.028 176.261 176.300 -0.019 0.000 1.018 314 R CA 0.332 56.446 56.100 0.024 0.000 1.036 314 R CB 0.155 30.381 30.300 -0.124 0.000 0.899 314 R HN 0.136 nan 8.270 nan 0.000 0.473 315 K N 1.799 122.245 120.400 0.077 0.000 2.231 315 K HA 0.071 4.397 4.320 0.010 0.000 0.255 315 K C -0.414 176.442 176.600 0.427 0.000 1.108 315 K CA -0.043 56.321 56.287 0.129 0.000 0.997 315 K CB 0.425 32.807 32.500 -0.198 0.000 1.549 315 K HN 0.313 nan 8.250 nan 0.000 0.419 316 H N 0.105 119.383 119.070 0.347 0.000 3.229 316 H HA 0.184 4.746 4.556 0.010 0.000 0.211 316 H C -0.652 174.795 175.328 0.199 0.000 1.364 316 H CA -0.699 55.499 56.048 0.251 0.000 1.270 316 H CB -0.584 29.249 29.762 0.118 0.000 2.309 316 H HN 0.332 nan 8.280 nan 0.000 0.520 317 A N 1.844 124.779 122.820 0.192 0.000 2.567 317 A HA 0.269 4.595 4.320 0.010 0.000 0.240 317 A C 0.194 177.806 177.584 0.047 0.000 1.053 317 A CA -0.072 52.003 52.037 0.063 0.000 0.755 317 A CB 0.096 19.096 19.000 0.001 0.000 0.978 317 A HN 0.494 nan 8.150 nan 0.000 0.507 318 L N 3.532 124.746 121.223 -0.016 0.000 2.494 318 L HA 0.208 4.554 4.340 0.010 0.000 0.251 318 L C 0.800 177.603 176.870 -0.112 0.000 1.119 318 L CA -0.071 54.769 54.840 -0.000 0.000 1.026 318 L CB 0.676 42.770 42.059 0.059 0.000 1.370 318 L HN 0.806 nan 8.230 nan 0.000 0.426 319 D N 1.303 121.659 120.400 -0.074 0.000 2.133 319 D HA -0.253 4.394 4.640 0.010 0.000 0.192 319 D C 2.018 178.214 176.300 -0.172 0.000 1.001 319 D CA 1.730 55.711 54.000 -0.031 0.000 0.844 319 D CB 0.331 41.148 40.800 0.028 0.000 0.944 319 D HN 0.490 nan 8.370 nan 0.000 0.447 320 I N 1.116 121.544 120.570 -0.236 0.000 2.163 320 I HA -0.192 3.985 4.170 0.010 0.000 0.243 320 I C 2.628 178.525 176.117 -0.367 0.000 1.085 320 I CA 1.571 62.670 61.300 -0.335 0.000 1.347 320 I CB -0.376 37.451 38.000 -0.288 0.000 1.044 320 I HN 0.024 nan 8.210 nan 0.000 0.408 321 G N -0.562 108.056 108.800 -0.303 0.000 2.623 321 G HA2 -0.089 3.877 3.960 0.010 0.000 0.214 321 G HA3 -0.089 3.877 3.960 0.010 0.000 0.214 321 G C 1.421 176.169 174.900 -0.252 0.000 1.138 321 G CA 0.163 45.078 45.100 -0.309 0.000 0.794 321 G HN 0.403 nan 8.290 nan 0.000 0.535 322 E N -1.399 118.603 120.200 -0.329 0.000 2.431 322 E HA 0.145 4.502 4.350 0.010 0.000 0.200 322 E C 0.732 176.962 176.600 -0.617 0.000 0.995 322 E CA 0.230 56.331 56.400 -0.498 0.000 0.915 322 E CB 0.403 29.680 29.700 -0.704 0.000 0.930 322 E HN 0.583 nan 8.360 nan 0.000 0.496 323 Y N -0.612 119.646 120.300 -0.070 0.000 2.524 323 Y HA 0.333 4.890 4.550 0.011 0.000 0.276 323 Y C 0.734 176.618 175.900 -0.027 0.000 1.155 323 Y CA 0.154 58.240 58.100 -0.023 0.000 1.165 323 Y CB 1.107 39.528 38.460 -0.064 0.000 1.306 323 Y HN -0.039 nan 8.280 nan 0.000 0.522 324 G N 0.862 109.597 108.800 -0.108 0.000 3.190 324 G HA2 0.159 4.125 3.960 0.010 0.000 0.686 324 G HA3 0.159 4.125 3.960 0.010 0.000 0.686 324 G C 0.539 175.149 174.900 -0.483 0.000 1.033 324 G CA -0.297 44.585 45.100 -0.364 0.000 0.797 324 G HN 0.654 nan 8.290 nan 0.000 0.567 325 A N 1.187 123.604 122.820 -0.672 0.000 2.119 325 A HA 0.416 4.743 4.320 0.010 0.000 0.217 325 A C 2.491 179.833 177.584 -0.404 0.000 1.153 325 A CA 2.248 53.755 52.037 -0.882 0.000 0.692 325 A CB -0.255 18.328 19.000 -0.696 0.000 0.799 325 A HN 2.134 nan 8.150 nan 0.000 0.458 326 G N -1.599 106.973 108.800 -0.380 0.000 2.437 326 G HA2 -0.034 3.932 3.960 0.010 0.000 0.212 326 G HA3 -0.034 3.932 3.960 0.010 0.000 0.212 326 G C 1.370 176.363 174.900 0.156 0.000 1.174 326 G CA 0.669 45.742 45.100 -0.045 0.000 0.811 326 G HN 0.395 nan 8.290 nan 0.000 0.537 327 Y N 0.891 121.040 120.300 -0.253 0.000 2.256 327 Y HA 0.045 4.602 4.550 0.010 0.000 0.288 327 Y C 2.784 178.712 175.900 0.047 0.000 1.155 327 Y CA 0.595 58.583 58.100 -0.188 0.000 1.203 327 Y CB -0.301 38.054 38.460 -0.174 0.000 0.980 327 Y HN 0.158 nan 8.280 nan 0.000 0.530 328 M N -1.385 118.321 119.600 0.176 0.000 2.495 328 M HA 0.040 4.526 4.480 0.010 0.000 0.237 328 M C 0.791 177.274 176.300 0.305 0.000 1.131 328 M CA 0.167 55.587 55.300 0.199 0.000 1.032 328 M CB -0.020 32.675 32.600 0.158 0.000 1.513 328 M HN -0.179 nan 8.290 nan 0.000 0.488 329 T N 2.328 117.088 114.554 0.345 0.000 2.928 329 T HA 0.075 4.431 4.350 0.010 0.000 0.305 329 T C 0.172 175.042 174.700 0.283 0.000 1.035 329 T CA 0.023 62.357 62.100 0.390 0.000 1.145 329 T CB 0.223 69.386 68.868 0.492 0.000 0.963 329 T HN 0.216 nan 8.240 nan 0.000 0.545 330 N N 5.190 124.029 118.700 0.231 0.000 2.518 330 N HA 0.341 5.087 4.740 0.010 0.000 0.283 330 N C -2.643 172.929 175.510 0.104 0.000 1.119 330 N CA -1.829 51.310 53.050 0.149 0.000 0.983 330 N CB 0.973 39.530 38.487 0.117 0.000 1.139 330 N HN 0.355 nan 8.380 nan 0.000 0.465 331 P HA 0.116 nan 4.420 nan 0.000 0.276 331 P C 0.559 177.854 177.300 -0.009 0.000 1.253 331 P CA -0.389 62.708 63.100 -0.004 0.000 0.766 331 P CB 0.663 32.346 31.700 -0.029 0.000 0.845 332 L N 2.404 123.623 121.223 -0.007 0.000 2.217 332 L HA -0.085 4.261 4.340 0.010 0.000 0.211 332 L C 2.316 179.184 176.870 -0.004 0.000 1.107 332 L CA 1.480 56.351 54.840 0.052 0.000 0.783 332 L CB -1.809 40.382 42.059 0.220 0.000 0.919 332 L HN 0.347 nan 8.230 nan 0.000 0.442 333 S N -0.197 115.365 115.700 -0.229 0.000 2.444 333 S HA -0.247 4.229 4.470 0.010 0.000 0.225 333 S C 2.075 176.637 174.600 -0.064 0.000 1.042 333 S CA 1.672 59.727 58.200 -0.243 0.000 1.132 333 S CB -0.481 62.492 63.200 -0.378 0.000 1.099 333 S HN 0.350 nan 8.310 nan 0.000 0.417 334 L N 0.655 121.840 121.223 -0.063 0.000 2.030 334 L HA -0.223 4.123 4.340 0.010 0.000 0.222 334 L C 2.520 179.395 176.870 0.008 0.000 1.082 334 L CA 2.004 56.832 54.840 -0.020 0.000 0.785 334 L CB -1.265 40.786 42.059 -0.014 0.000 0.895 334 L HN 0.621 nan 8.230 nan 0.000 0.439 335 G N -2.422 106.389 108.800 0.018 0.000 2.498 335 G HA2 -0.230 3.736 3.960 0.010 0.000 0.219 335 G HA3 -0.230 3.736 3.960 0.010 0.000 0.219 335 G C 0.999 175.917 174.900 0.030 0.000 1.119 335 G CA 0.652 45.769 45.100 0.028 0.000 0.766 335 G HN 0.682 nan 8.290 nan 0.000 0.552 336 C N -0.425 118.897 119.300 0.037 0.000 4.550 336 C HA -0.156 4.310 4.460 0.010 0.000 0.282 336 C C 1.532 176.547 174.990 0.041 0.000 1.290 336 C CA 0.014 59.055 59.018 0.038 0.000 1.964 336 C CB -2.343 25.413 27.740 0.026 0.000 1.284 336 C HN 0.635 nan 8.230 nan 0.000 0.758 337 D N 0.319 120.752 120.400 0.056 0.000 2.097 337 D HA -0.033 4.613 4.640 0.010 0.000 0.195 337 D C 0.874 177.211 176.300 0.062 0.000 0.989 337 D CA 1.734 55.774 54.000 0.067 0.000 0.827 337 D CB 0.003 40.853 40.800 0.083 0.000 0.966 337 D HN 0.713 nan 8.370 nan 0.000 0.456 338 C N 1.472 120.790 119.300 0.031 0.000 2.251 338 C HA 0.478 4.944 4.460 0.010 0.000 0.323 338 C C 0.153 175.055 174.990 -0.146 0.000 1.241 338 C CA -1.698 57.249 59.018 -0.117 0.000 1.601 338 C CB -0.094 27.500 27.740 -0.243 0.000 2.251 338 C HN 0.083 nan 8.230 nan 0.000 0.488 339 K N 2.587 122.913 120.400 -0.123 0.000 2.258 339 K HA 0.588 4.915 4.320 0.010 0.000 0.284 339 K C 0.700 177.266 176.600 -0.057 0.000 1.051 339 K CA 0.970 57.226 56.287 -0.052 0.000 0.923 339 K CB 0.426 32.931 32.500 0.009 0.000 1.046 339 K HN 1.185 nan 8.250 nan 0.000 0.474 340 G N 1.065 109.853 108.800 -0.020 0.000 2.396 340 G HA2 -0.188 3.778 3.960 0.010 0.000 0.254 340 G HA3 -0.188 3.778 3.960 0.010 0.000 0.254 340 G C -1.143 173.765 174.900 0.014 0.000 1.248 340 G CA -0.617 44.496 45.100 0.022 0.000 1.033 340 G HN 0.428 nan 8.290 nan 0.000 0.502 341 V N 2.359 122.309 119.914 0.061 0.000 2.341 341 V HA 0.289 4.415 4.120 0.010 0.000 0.248 341 V C 0.845 176.990 176.094 0.085 0.000 1.107 341 V CA -0.246 62.093 62.300 0.065 0.000 1.069 341 V CB -0.293 31.575 31.823 0.075 0.000 1.177 341 V HN 0.525 nan 8.190 nan 0.000 0.492 342 I N 3.714 124.270 120.570 -0.022 0.000 2.612 342 I HA 0.410 4.586 4.170 0.010 0.000 0.295 342 I C 0.166 176.219 176.117 -0.107 0.000 1.011 342 I CA -0.186 61.010 61.300 -0.174 0.000 1.326 342 I CB 1.023 38.703 38.000 -0.534 0.000 1.427 342 I HN 0.509 nan 8.210 nan 0.000 0.537 343 H N 5.364 124.292 119.070 -0.236 0.000 2.823 343 H HA 0.410 4.972 4.556 0.010 0.000 0.332 343 H C -1.578 173.620 175.328 -0.217 0.000 0.980 343 H CA -0.381 55.624 56.048 -0.072 0.000 1.286 343 H CB 0.872 30.741 29.762 0.179 0.000 1.541 343 H HN 0.373 nan 8.280 nan 0.000 0.521 344 Y N 3.458 123.818 120.300 0.101 0.000 2.519 344 Y HA 0.493 5.049 4.550 0.010 0.000 0.324 344 Y C 0.188 176.133 175.900 0.076 0.000 1.214 344 Y CA -0.743 57.402 58.100 0.075 0.000 1.260 344 Y CB 1.592 40.042 38.460 -0.015 0.000 1.311 344 Y HN 0.382 nan 8.280 nan 0.000 0.505 345 L N 1.138 122.475 121.223 0.190 0.000 2.409 345 L HA 0.439 4.785 4.340 0.010 0.000 0.262 345 L C -1.331 175.474 176.870 -0.108 0.000 0.992 345 L CA -1.028 53.832 54.840 0.033 0.000 0.817 345 L CB 2.248 44.295 42.059 -0.020 0.000 1.350 345 L HN 0.556 nan 8.230 nan 0.000 0.411 346 D N 0.943 121.236 120.400 -0.178 0.000 2.326 346 D HA 0.719 5.365 4.640 0.010 0.000 0.251 346 D C -0.529 175.417 176.300 -0.590 0.000 1.023 346 D CA -0.145 53.647 54.000 -0.347 0.000 0.966 346 D CB 2.300 42.920 40.800 -0.301 0.000 1.156 346 D HN 0.584 nan 8.370 nan 0.000 0.494 347 A N 1.090 123.453 122.820 -0.762 0.000 2.365 347 A HA 0.620 4.947 4.320 0.010 0.000 0.318 347 A C -1.128 175.792 177.584 -1.106 0.000 1.091 347 A CA -0.682 50.857 52.037 -0.829 0.000 0.763 347 A CB 1.152 19.724 19.000 -0.714 0.000 1.248 347 A HN 0.577 nan 8.150 nan 0.000 0.442 348 H N 1.498 120.275 119.070 -0.488 0.000 2.609 348 H HA 0.631 5.193 4.556 0.010 0.000 0.344 348 H C -1.379 173.800 175.328 -0.248 0.000 1.040 348 H CA -0.167 55.649 56.048 -0.386 0.000 1.216 348 H CB 1.276 30.965 29.762 -0.122 0.000 1.529 348 H HN 0.531 nan 8.280 nan 0.000 0.519 349 F N 0.069 120.182 119.950 0.272 0.000 2.782 349 F HA 0.488 5.022 4.527 0.010 0.000 0.366 349 F C 0.804 176.706 175.800 0.170 0.000 1.171 349 F CA -1.182 56.978 58.000 0.266 0.000 1.064 349 F CB 0.805 40.052 39.000 0.411 0.000 1.449 349 F HN 0.337 nan 8.300 nan 0.000 0.520 350 S N -0.364 115.558 115.700 0.369 0.000 2.568 350 S HA 0.598 5.074 4.470 0.010 0.000 0.302 350 S C -1.377 173.309 174.600 0.144 0.000 1.082 350 S CA -0.713 57.580 58.200 0.155 0.000 1.009 350 S CB 0.909 64.130 63.200 0.034 0.000 1.069 350 S HN 0.604 nan 8.310 nan 0.000 0.500 351 D N 1.744 122.191 120.400 0.079 0.000 2.440 351 D HA 0.341 4.987 4.640 0.010 0.000 0.258 351 D C 1.089 177.443 176.300 0.089 0.000 1.092 351 D CA -0.805 53.237 54.000 0.069 0.000 1.016 351 D CB 0.348 41.183 40.800 0.057 0.000 1.141 351 D HN 0.526 nan 8.370 nan 0.000 0.552 352 R N -0.513 120.036 120.500 0.082 0.000 2.154 352 R HA -0.180 4.166 4.340 0.010 0.000 0.248 352 R C 1.622 178.041 176.300 0.198 0.000 1.155 352 R CA 1.662 57.835 56.100 0.122 0.000 0.979 352 R CB -0.467 29.872 30.300 0.065 0.000 0.869 352 R HN 0.606 nan 8.270 nan 0.000 0.452 353 A N -0.981 121.923 122.820 0.140 0.000 2.208 353 A HA 0.191 4.517 4.320 0.010 0.000 0.209 353 A C 1.295 178.951 177.584 0.119 0.000 1.161 353 A CA 0.867 52.993 52.037 0.149 0.000 0.782 353 A CB 0.150 19.196 19.000 0.077 0.000 0.816 353 A HN 0.502 nan 8.150 nan 0.000 0.477 354 G N -0.640 108.146 108.800 -0.024 0.000 2.157 354 G HA2 -0.172 3.794 3.960 0.010 0.000 0.239 354 G HA3 -0.172 3.794 3.960 0.010 0.000 0.239 354 G C -0.481 174.269 174.900 -0.249 0.000 0.982 354 G CA 0.138 44.958 45.100 -0.466 0.000 0.650 354 G HN 0.461 nan 8.290 nan 0.000 0.527 355 D N 1.327 121.671 120.400 -0.094 0.000 2.177 355 D HA 0.479 5.125 4.640 0.010 0.000 0.247 355 D C -2.319 173.971 176.300 -0.017 0.000 1.063 355 D CA -1.323 52.648 54.000 -0.049 0.000 0.867 355 D CB 1.580 42.373 40.800 -0.011 0.000 1.168 355 D HN 0.049 nan 8.370 nan 0.000 0.445 356 P HA 0.123 nan 4.420 nan 0.000 0.266 356 P C -0.367 176.969 177.300 0.060 0.000 1.195 356 P CA 0.051 63.167 63.100 0.028 0.000 0.768 356 P CB 0.498 32.194 31.700 -0.008 0.000 0.838 357 I N -1.505 119.129 120.570 0.107 0.000 2.785 357 I HA 0.696 4.872 4.170 0.010 0.000 0.302 357 I C -0.702 175.451 176.117 0.060 0.000 1.069 357 I CA -0.733 60.627 61.300 0.099 0.000 1.045 357 I CB 2.577 40.664 38.000 0.145 0.000 1.236 357 I HN 0.077 nan 8.210 nan 0.000 0.429 358 T N 3.280 117.848 114.554 0.023 0.000 2.893 358 T HA 0.517 4.873 4.350 0.010 0.000 0.293 358 T C -0.919 173.708 174.700 -0.121 0.000 1.027 358 T CA -0.619 61.436 62.100 -0.076 0.000 0.988 358 T CB 2.400 71.296 68.868 0.048 0.000 1.043 358 T HN 0.645 nan 8.240 nan 0.000 0.461 359 V N 3.336 123.103 119.914 -0.244 0.000 2.443 359 V HA 0.570 4.697 4.120 0.010 0.000 0.293 359 V C -0.677 175.297 176.094 -0.200 0.000 1.021 359 V CA -0.833 61.386 62.300 -0.135 0.000 0.848 359 V CB 1.131 32.936 31.823 -0.030 0.000 0.998 359 V HN 0.735 nan 8.190 nan 0.000 0.424 360 K N 4.458 124.773 120.400 -0.141 0.000 2.185 360 K HA 0.353 4.679 4.320 0.010 0.000 0.271 360 K C 0.340 176.836 176.600 -0.173 0.000 1.013 360 K CA 0.097 56.287 56.287 -0.161 0.000 0.943 360 K CB 0.365 32.786 32.500 -0.132 0.000 0.998 360 K HN 0.944 nan 8.250 nan 0.000 0.468 361 N N 0.502 119.091 118.700 -0.185 0.000 2.696 361 N HA -0.261 4.486 4.740 0.010 0.000 0.256 361 N C 0.372 175.845 175.510 -0.062 0.000 1.031 361 N CA 0.304 53.261 53.050 -0.155 0.000 0.730 361 N CB -0.767 37.413 38.487 -0.512 0.000 0.894 361 N HN 0.760 nan 8.380 nan 0.000 0.544 362 A N -0.532 122.206 122.820 -0.135 0.000 1.898 362 A HA 0.166 4.492 4.320 0.010 0.000 0.214 362 A C 0.915 178.459 177.584 -0.067 0.000 1.183 362 A CA 1.065 53.002 52.037 -0.167 0.000 0.622 362 A CB 0.620 19.308 19.000 -0.522 0.000 0.824 362 A HN 0.203 nan 8.150 nan 0.000 0.444 363 V N -0.427 119.446 119.914 -0.069 0.000 2.555 363 V HA 0.432 4.559 4.120 0.010 0.000 0.302 363 V C -0.289 175.893 176.094 0.146 0.000 1.038 363 V CA -0.698 61.634 62.300 0.054 0.000 0.887 363 V CB 1.075 32.903 31.823 0.008 0.000 0.991 363 V HN 0.554 nan 8.190 nan 0.000 0.434 364 C N 6.253 125.624 119.300 0.117 0.000 2.364 364 C HA 0.809 5.275 4.460 0.010 0.000 0.324 364 C C -0.600 174.387 174.990 -0.004 0.000 1.234 364 C CA -0.627 58.374 59.018 -0.029 0.000 1.417 364 C CB -0.589 27.137 27.740 -0.024 0.000 2.101 364 C HN 0.778 nan 8.230 nan 0.000 0.466 365 I N 7.355 127.877 120.570 -0.079 0.000 2.412 365 I HA 0.661 4.838 4.170 0.010 0.000 0.296 365 I C 0.030 176.129 176.117 -0.031 0.000 0.987 365 I CA 0.067 61.300 61.300 -0.112 0.000 1.180 365 I CB 1.456 39.271 38.000 -0.308 0.000 1.340 365 I HN 0.946 nan 8.210 nan 0.000 0.455 366 H N 4.022 122.899 119.070 -0.322 0.000 2.969 366 H HA 0.357 4.919 4.556 0.010 0.000 0.304 366 H C -2.057 173.178 175.328 -0.156 0.000 1.400 366 H CA -1.169 54.794 56.048 -0.140 0.000 1.182 366 H CB 1.016 30.765 29.762 -0.020 0.000 1.865 366 H HN 0.662 nan 8.280 nan 0.000 0.512 367 E N 1.455 121.652 120.200 -0.005 0.000 2.212 367 E HA 0.592 4.949 4.350 0.010 0.000 0.268 367 E C -1.012 175.581 176.600 -0.013 0.000 0.902 367 E CA -0.876 55.459 56.400 -0.107 0.000 0.779 367 E CB 2.759 32.524 29.700 0.109 0.000 1.172 367 E HN 0.699 nan 8.360 nan 0.000 0.409 368 E N 1.719 121.881 120.200 -0.064 0.000 2.423 368 E HA 0.313 4.669 4.350 0.010 0.000 0.269 368 E C -1.015 175.606 176.600 0.034 0.000 0.948 368 E CA -1.075 55.330 56.400 0.008 0.000 0.802 368 E CB 1.217 30.900 29.700 -0.028 0.000 1.339 368 E HN 0.413 nan 8.360 nan 0.000 0.445 369 D N 0.620 121.043 120.400 0.038 0.000 2.345 369 D HA 0.083 4.730 4.640 0.010 0.000 0.247 369 D C -0.677 175.633 176.300 0.016 0.000 1.108 369 D CA 0.400 54.422 54.000 0.037 0.000 0.894 369 D CB 1.047 41.864 40.800 0.028 0.000 1.203 369 D HN 0.352 nan 8.370 nan 0.000 0.430 370 D N 1.009 121.422 120.400 0.021 0.000 2.819 370 D HA 0.280 4.926 4.640 0.010 0.000 0.326 370 D C 0.786 177.086 176.300 0.000 0.000 1.408 370 D CA -0.074 53.931 54.000 0.008 0.000 0.811 370 D CB 0.008 40.823 40.800 0.025 0.000 1.148 370 D HN 0.668 nan 8.370 nan 0.000 0.457 371 G N 0.497 109.294 108.800 -0.005 0.000 2.552 371 G HA2 -0.287 3.679 3.960 0.010 0.000 0.265 371 G HA3 -0.287 3.679 3.960 0.010 0.000 0.265 371 G C -0.177 174.707 174.900 -0.026 0.000 1.234 371 G CA -0.095 44.997 45.100 -0.013 0.000 0.944 371 G HN 0.309 nan 8.290 nan 0.000 0.568 372 L N 0.523 121.728 121.223 -0.030 0.000 2.349 372 L HA 0.382 4.729 4.340 0.010 0.000 0.275 372 L C 1.662 178.485 176.870 -0.079 0.000 1.115 372 L CA -0.662 54.144 54.840 -0.056 0.000 0.820 372 L CB 1.239 43.284 42.059 -0.025 0.000 1.135 372 L HN 0.558 nan 8.230 nan 0.000 0.445 373 L N 4.245 125.341 121.223 -0.212 0.000 2.253 373 L HA 0.267 4.614 4.340 0.010 0.000 0.205 373 L C -0.224 176.552 176.870 -0.157 0.000 1.078 373 L CA 1.186 55.856 54.840 -0.284 0.000 0.805 373 L CB 0.216 41.911 42.059 -0.606 0.000 0.963 373 L HN 0.584 nan 8.230 nan 0.000 0.459 374 F N -2.675 117.294 119.950 0.032 0.000 2.793 374 F HA 0.526 5.059 4.527 0.010 0.000 0.316 374 F C -0.828 174.998 175.800 0.044 0.000 1.147 374 F CA -1.793 56.227 58.000 0.033 0.000 0.930 374 F CB 0.326 39.342 39.000 0.026 0.000 1.277 374 F HN -0.147 nan 8.300 nan 0.000 0.443 375 K N 0.819 121.430 120.400 0.353 0.000 2.587 375 K HA 0.654 4.981 4.320 0.010 0.000 0.276 375 K C -2.572 174.175 176.600 0.245 0.000 0.956 375 K CA -0.858 55.580 56.287 0.252 0.000 0.857 375 K CB 2.496 35.072 32.500 0.127 0.000 1.431 375 K HN 1.162 nan 8.250 nan 0.000 0.420 376 H N -0.037 119.089 119.070 0.094 0.000 3.151 376 H HA 0.443 5.006 4.556 0.010 0.000 0.333 376 H C -2.031 173.341 175.328 0.074 0.000 1.093 376 H CA -0.249 55.837 56.048 0.062 0.000 1.342 376 H CB 1.901 31.695 29.762 0.053 0.000 1.983 376 H HN 0.561 nan 8.280 nan 0.000 0.503 377 S N 3.285 118.609 115.700 -0.627 0.000 2.568 377 S HA 0.248 4.725 4.470 0.010 0.000 0.293 377 S C -1.202 173.199 174.600 -0.331 0.000 1.089 377 S CA -0.951 57.059 58.200 -0.316 0.000 0.945 377 S CB 1.730 64.863 63.200 -0.111 0.000 1.077 377 S HN 0.662 nan 8.310 nan 0.000 0.485 378 D N 1.355 121.721 120.400 -0.057 0.000 2.249 378 D HA 0.229 4.876 4.640 0.010 0.000 0.246 378 D C 0.718 177.030 176.300 0.020 0.000 1.114 378 D CA -0.672 53.296 54.000 -0.055 0.000 0.854 378 D CB 0.661 41.390 40.800 -0.119 0.000 1.132 378 D HN 0.467 nan 8.370 nan 0.000 0.461 379 F N 3.365 123.374 119.950 0.099 0.000 2.502 379 F HA 0.132 4.665 4.527 0.010 0.000 0.298 379 F C 1.852 177.526 175.800 -0.210 0.000 1.111 379 F CA 0.182 58.093 58.000 -0.148 0.000 1.445 379 F CB -0.306 38.694 39.000 0.001 0.000 1.081 379 F HN 0.203 nan 8.300 nan 0.000 0.558 380 R N 0.951 120.928 120.500 -0.873 0.000 2.105 380 R HA -0.137 4.210 4.340 0.010 0.000 0.239 380 R C 0.385 176.534 176.300 -0.252 0.000 1.135 380 R CA 1.604 57.373 56.100 -0.553 0.000 0.967 380 R CB -0.692 29.269 30.300 -0.564 0.000 0.861 380 R HN 0.511 nan 8.270 nan 0.000 0.442 381 D N -1.393 118.877 120.400 -0.218 0.000 2.892 381 D HA 0.004 4.651 4.640 0.010 0.000 0.291 381 D C -0.553 175.656 176.300 -0.150 0.000 1.341 381 D CA -0.490 53.428 54.000 -0.137 0.000 0.844 381 D CB -0.821 39.928 40.800 -0.086 0.000 1.093 381 D HN 0.097 nan 8.370 nan 0.000 0.480 382 N N 1.182 119.719 118.700 -0.273 0.000 2.716 382 N HA -0.294 4.452 4.740 0.010 0.000 0.250 382 N C -0.659 174.621 175.510 -0.383 0.000 1.033 382 N CA 0.407 53.181 53.050 -0.459 0.000 0.727 382 N CB -0.758 37.585 38.487 -0.241 0.000 0.950 382 N HN 0.258 nan 8.380 nan 0.000 0.541 383 F N -4.747 115.202 119.950 -0.002 0.000 2.746 383 F HA -0.312 4.221 4.527 0.011 0.000 0.315 383 F C 1.672 177.474 175.800 0.004 0.000 0.666 383 F CA 0.726 58.718 58.000 -0.013 0.000 1.381 383 F CB -2.213 36.784 39.000 -0.005 0.000 1.739 383 F HN 0.285 nan 8.300 nan 0.000 0.322 384 A N -0.938 121.954 122.820 0.120 0.000 1.877 384 A HA -0.052 4.274 4.320 0.010 0.000 0.216 384 A C 1.485 179.147 177.584 0.130 0.000 1.186 384 A CA 2.001 54.104 52.037 0.110 0.000 0.620 384 A CB -0.572 18.457 19.000 0.049 0.000 0.822 384 A HN 0.353 nan 8.150 nan 0.000 0.443 385 T N 1.045 115.647 114.554 0.080 0.000 2.769 385 T HA 0.432 4.788 4.350 0.010 0.000 0.293 385 T C -0.229 174.526 174.700 0.093 0.000 0.931 385 T CA 0.802 62.938 62.100 0.060 0.000 1.139 385 T CB 0.078 68.953 68.868 0.012 0.000 0.881 385 T HN 0.402 nan 8.240 nan 0.000 0.532 386 S N 3.476 119.250 115.700 0.123 0.000 2.558 386 S HA 0.644 5.120 4.470 0.010 0.000 0.277 386 S C -1.955 172.747 174.600 0.171 0.000 1.143 386 S CA -0.897 57.393 58.200 0.150 0.000 0.865 386 S CB 1.024 64.351 63.200 0.213 0.000 1.102 386 S HN 0.658 nan 8.310 nan 0.000 0.454 387 L N 4.159 125.482 121.223 0.168 0.000 2.438 387 L HA 0.893 5.239 4.340 0.010 0.000 0.270 387 L C -1.776 175.221 176.870 0.212 0.000 0.972 387 L CA -0.446 54.497 54.840 0.172 0.000 0.831 387 L CB 1.818 43.967 42.059 0.150 0.000 1.273 387 L HN 0.557 nan 8.230 nan 0.000 0.405 388 V N 2.932 122.969 119.914 0.204 0.000 2.638 388 V HA 0.628 4.754 4.120 0.010 0.000 0.306 388 V C -0.521 175.618 176.094 0.074 0.000 1.052 388 V CA -0.401 61.987 62.300 0.146 0.000 0.885 388 V CB 2.143 34.039 31.823 0.122 0.000 0.999 388 V HN 0.784 nan 8.190 nan 0.000 0.424 389 T N 4.842 119.356 114.554 -0.065 0.000 2.881 389 T HA 0.486 4.842 4.350 0.010 0.000 0.291 389 T C -0.145 174.369 174.700 -0.311 0.000 0.990 389 T CA -0.641 61.321 62.100 -0.230 0.000 0.976 389 T CB 1.228 69.807 68.868 -0.482 0.000 0.970 389 T HN 0.546 nan 8.240 nan 0.000 0.438 390 R N 1.332 121.731 120.500 -0.168 0.000 2.577 390 R HA 0.766 5.112 4.340 0.010 0.000 0.269 390 R C -0.025 176.196 176.300 -0.132 0.000 1.084 390 R CA -0.677 55.348 56.100 -0.126 0.000 1.163 390 R CB 0.779 31.050 30.300 -0.049 0.000 1.100 390 R HN 0.659 nan 8.270 nan 0.000 0.547 391 A N 0.566 123.343 122.820 -0.072 0.000 2.337 391 A HA 0.487 4.813 4.320 0.010 0.000 0.329 391 A C -0.491 177.132 177.584 0.065 0.000 1.146 391 A CA -0.450 51.578 52.037 -0.014 0.000 0.800 391 A CB 1.789 20.785 19.000 -0.006 0.000 1.220 391 A HN 0.587 nan 8.150 nan 0.000 0.472 392 T N 0.953 115.603 114.554 0.159 0.000 2.886 392 T HA 0.606 4.962 4.350 0.010 0.000 0.292 392 T C -0.784 174.148 174.700 0.387 0.000 1.012 392 T CA -0.699 61.540 62.100 0.232 0.000 0.982 392 T CB 0.735 69.760 68.868 0.261 0.000 1.018 392 T HN 0.865 nan 8.240 nan 0.000 0.451 393 K N 4.160 124.672 120.400 0.185 0.000 2.259 393 K HA 0.645 4.971 4.320 0.010 0.000 0.249 393 K C -0.950 175.439 176.600 -0.352 0.000 0.942 393 K CA -1.186 55.119 56.287 0.029 0.000 0.816 393 K CB 1.820 34.309 32.500 -0.019 0.000 1.155 393 K HN 0.460 nan 8.250 nan 0.000 0.428 394 L N 3.528 124.268 121.223 -0.806 0.000 2.275 394 L HA 0.371 4.717 4.340 0.010 0.000 0.288 394 L C -1.192 175.425 176.870 -0.422 0.000 1.046 394 L CA -0.802 53.475 54.840 -0.938 0.000 0.805 394 L CB 1.572 42.748 42.059 -1.471 0.000 1.193 394 L HN 0.568 nan 8.230 nan 0.000 0.426 395 V N 5.659 125.325 119.914 -0.413 0.000 2.487 395 V HA 0.385 4.511 4.120 0.010 0.000 0.298 395 V C -0.163 175.892 176.094 -0.065 0.000 1.028 395 V CA -0.665 61.516 62.300 -0.198 0.000 0.860 395 V CB 2.101 33.740 31.823 -0.307 0.000 0.991 395 V HN 0.469 nan 8.190 nan 0.000 0.427 396 V N 3.881 123.868 119.914 0.120 0.000 2.326 396 V HA 0.564 4.690 4.120 0.010 0.000 0.281 396 V C 0.113 176.368 176.094 0.269 0.000 1.015 396 V CA -0.042 62.357 62.300 0.166 0.000 0.823 396 V CB 1.428 33.377 31.823 0.209 0.000 1.009 396 V HN 0.882 nan 8.190 nan 0.000 0.436 397 S N 4.129 119.952 115.700 0.204 0.000 2.638 397 S HA 0.885 5.361 4.470 0.010 0.000 0.302 397 S C -0.911 173.769 174.600 0.133 0.000 1.096 397 S CA -0.529 57.751 58.200 0.132 0.000 0.953 397 S CB 2.044 65.305 63.200 0.101 0.000 1.107 397 S HN 0.924 nan 8.310 nan 0.000 0.503 398 Q N 1.554 121.393 119.800 0.064 0.000 2.522 398 Q HA 0.667 5.013 4.340 0.010 0.000 0.285 398 Q C -1.953 174.083 176.000 0.060 0.000 0.982 398 Q CA -0.851 55.048 55.803 0.160 0.000 0.805 398 Q CB 1.254 30.205 28.738 0.356 0.000 1.457 398 Q HN 0.638 nan 8.270 nan 0.000 0.394 399 I N 3.197 123.841 120.570 0.123 0.000 2.500 399 I HA 0.459 4.635 4.170 0.010 0.000 0.286 399 I C -1.188 175.048 176.117 0.198 0.000 1.063 399 I CA -0.855 60.482 61.300 0.061 0.000 1.062 399 I CB 1.398 39.402 38.000 0.007 0.000 1.223 399 I HN 0.697 nan 8.210 nan 0.000 0.435 400 F N 3.689 123.719 119.950 0.134 0.000 2.523 400 F HA 0.802 5.335 4.527 0.011 0.000 0.329 400 F C -0.511 175.385 175.800 0.160 0.000 1.061 400 F CA -0.741 57.352 58.000 0.154 0.000 0.967 400 F CB 1.491 40.586 39.000 0.158 0.000 1.218 400 F HN 0.135 nan 8.300 nan 0.000 0.480 401 T N 2.368 117.171 114.554 0.416 0.000 2.786 401 T HA 0.680 5.036 4.350 0.010 0.000 0.283 401 T C -0.507 174.376 174.700 0.305 0.000 0.992 401 T CA -0.441 61.805 62.100 0.242 0.000 0.954 401 T CB 1.141 70.096 68.868 0.145 0.000 0.934 401 T HN 0.909 nan 8.240 nan 0.000 0.440 402 A N 2.843 125.816 122.820 0.255 0.000 2.654 402 A HA 0.766 5.092 4.320 0.010 0.000 0.345 402 A C 1.168 178.736 177.584 -0.026 0.000 1.368 402 A CA 0.064 52.170 52.037 0.114 0.000 0.895 402 A CB -0.884 18.273 19.000 0.261 0.000 1.143 402 A HN 1.476 nan 8.150 nan 0.000 0.490 403 A N 2.140 124.933 122.820 -0.044 0.000 4.974 403 A HA -0.313 4.013 4.320 0.010 0.000 0.339 403 A C 1.018 178.650 177.584 0.081 0.000 1.785 403 A CA 1.750 53.808 52.037 0.035 0.000 0.707 403 A CB -2.067 16.949 19.000 0.027 0.000 1.430 403 A HN 1.509 nan 8.150 nan 0.000 0.398 407 Y N 0.322 120.279 120.300 -0.572 0.000 2.345 407 Y HA 0.353 4.910 4.550 0.011 0.000 0.331 407 Y C -0.016 175.619 175.900 -0.443 0.000 0.959 407 Y CA -0.670 57.084 58.100 -0.576 0.000 1.204 407 Y CB 1.233 39.084 38.460 -1.015 0.000 1.135 407 Y HN 0.486 nan 8.280 nan 0.000 0.477 408 C N 5.708 124.890 119.300 -0.197 0.000 2.265 408 C HA 0.615 5.081 4.460 0.010 0.000 0.332 408 C C 0.041 174.790 174.990 -0.402 0.000 1.248 408 C CA -1.247 57.607 59.018 -0.273 0.000 1.727 408 C CB -1.145 26.506 27.740 -0.148 0.000 2.348 408 C HN 0.634 nan 8.230 nan 0.000 0.519 409 L N 3.469 124.384 121.223 -0.513 0.000 2.329 409 L HA 0.578 4.925 4.340 0.010 0.000 0.279 409 L C -1.117 175.339 176.870 -0.691 0.000 1.014 409 L CA -0.529 54.034 54.840 -0.462 0.000 0.814 409 L CB 0.802 42.758 42.059 -0.172 0.000 1.257 409 L HN 0.610 nan 8.230 nan 0.000 0.424 410 Y N 0.377 120.509 120.300 -0.279 0.000 2.333 410 Y HA 0.292 4.848 4.550 0.011 0.000 0.324 410 Y C -0.990 174.716 175.900 -0.322 0.000 1.033 410 Y CA -0.688 57.295 58.100 -0.194 0.000 1.224 410 Y CB 1.055 39.432 38.460 -0.139 0.000 1.120 410 Y HN 0.476 nan 8.280 nan 0.000 0.457 411 W N 3.812 125.131 121.300 0.032 0.000 2.358 411 W HA 0.613 5.279 4.660 0.011 0.000 0.307 411 W C -0.813 175.644 176.519 -0.104 0.000 1.203 411 W CA -0.704 56.589 57.345 -0.086 0.000 1.279 411 W CB 0.997 30.419 29.460 -0.064 0.000 1.264 411 W HN 0.145 nan 8.180 nan 0.000 0.474 412 V N 5.259 125.131 119.914 -0.070 0.000 2.417 412 V HA 0.436 4.563 4.120 0.010 0.000 0.291 412 V C -0.498 175.418 176.094 -0.296 0.000 1.024 412 V CA -1.114 61.116 62.300 -0.117 0.000 0.861 412 V CB 0.725 32.476 31.823 -0.120 0.000 0.985 412 V HN 0.195 nan 8.190 nan 0.000 0.436 413 F N 4.225 124.059 119.950 -0.193 0.000 2.450 413 F HA 0.747 5.280 4.527 0.010 0.000 0.332 413 F C 0.298 176.205 175.800 0.179 0.000 1.093 413 F CA -0.512 57.405 58.000 -0.138 0.000 1.003 413 F CB 1.840 40.657 39.000 -0.305 0.000 1.151 413 F HN 0.282 nan 8.300 nan 0.000 0.474 414 M N 1.675 121.613 119.600 0.562 0.000 2.716 414 M HA 0.315 4.801 4.480 0.010 0.000 0.307 414 M C 0.498 177.207 176.300 0.683 0.000 1.223 414 M CA -0.637 55.013 55.300 0.584 0.000 0.871 414 M CB 2.245 35.024 32.600 0.297 0.000 1.739 414 M HN 0.578 nan 8.290 nan 0.000 0.475 415 Q N 0.677 120.750 119.800 0.456 0.000 2.515 415 Q HA -0.107 4.239 4.340 0.010 0.000 0.212 415 Q C 0.186 176.281 176.000 0.158 0.000 0.970 415 Q CA 0.665 56.605 55.803 0.228 0.000 0.941 415 Q CB -0.086 28.703 28.738 0.085 0.000 0.998 415 Q HN 0.596 nan 8.270 nan 0.000 0.518 416 D N -1.739 118.775 120.400 0.189 0.000 2.369 416 D HA 0.085 4.731 4.640 0.010 0.000 0.211 416 D C 1.141 177.483 176.300 0.070 0.000 1.077 416 D CA 0.592 54.648 54.000 0.094 0.000 0.842 416 D CB 0.405 41.272 40.800 0.113 0.000 0.947 416 D HN 0.178 nan 8.370 nan 0.000 0.509 417 G N -0.189 108.748 108.800 0.229 0.000 2.176 417 G HA2 -0.122 3.844 3.960 0.010 0.000 0.232 417 G HA3 -0.122 3.844 3.960 0.010 0.000 0.232 417 G C 0.502 175.730 174.900 0.548 0.000 0.986 417 G CA 0.077 45.373 45.100 0.326 0.000 0.643 417 G HN 0.793 nan 8.290 nan 0.000 0.522 418 A N -0.191 122.855 122.820 0.376 0.000 2.322 418 A HA 0.791 5.118 4.320 0.010 0.000 0.269 418 A C 0.153 177.869 177.584 0.219 0.000 1.094 418 A CA 0.078 52.282 52.037 0.277 0.000 0.807 418 A CB 0.506 19.588 19.000 0.137 0.000 1.047 418 A HN 0.816 nan 8.150 nan 0.000 0.487 419 I N 0.882 121.504 120.570 0.086 0.000 2.498 419 I HA 0.504 4.680 4.170 0.010 0.000 0.290 419 I C 0.135 176.154 176.117 -0.162 0.000 1.032 419 I CA -0.362 60.805 61.300 -0.222 0.000 1.073 419 I CB 1.966 39.779 38.000 -0.311 0.000 1.251 419 I HN 0.818 nan 8.210 nan 0.000 0.426 420 R N 6.312 126.670 120.500 -0.237 0.000 2.750 420 R HA 0.638 4.985 4.340 0.010 0.000 0.281 420 R C -1.977 174.165 176.300 -0.264 0.000 0.972 420 R CA -0.707 55.274 56.100 -0.198 0.000 0.912 420 R CB 2.147 32.358 30.300 -0.147 0.000 1.187 420 R HN 0.599 nan 8.270 nan 0.000 0.464 421 L N 4.104 125.125 121.223 -0.336 0.000 2.316 421 L HA 0.453 4.799 4.340 0.010 0.000 0.280 421 L C -1.458 175.179 176.870 -0.389 0.000 1.006 421 L CA -0.612 53.917 54.840 -0.517 0.000 0.836 421 L CB 1.554 43.175 42.059 -0.730 0.000 1.221 421 L HN 0.746 nan 8.230 nan 0.000 0.418 422 D N 5.706 125.937 120.400 -0.282 0.000 2.192 422 D HA 0.586 5.232 4.640 0.010 0.000 0.246 422 D C -0.367 175.902 176.300 -0.052 0.000 1.042 422 D CA -0.008 53.902 54.000 -0.150 0.000 0.847 422 D CB 2.836 43.560 40.800 -0.126 0.000 1.186 422 D HN 0.361 nan 8.370 nan 0.000 0.461 423 I N 1.148 121.681 120.570 -0.061 0.000 2.730 423 I HA 0.397 4.574 4.170 0.010 0.000 0.298 423 I C -0.159 175.955 176.117 -0.004 0.000 1.089 423 I CA -0.780 60.486 61.300 -0.055 0.000 1.041 423 I CB 2.326 40.189 38.000 -0.227 0.000 1.235 423 I HN -0.071 nan 8.210 nan 0.000 0.423 424 R N 5.699 126.217 120.500 0.031 0.000 2.502 424 R HA 0.602 4.948 4.340 0.010 0.000 0.300 424 R C -1.522 174.703 176.300 -0.125 0.000 0.984 424 R CA -0.815 55.275 56.100 -0.016 0.000 0.882 424 R CB 2.124 32.471 30.300 0.078 0.000 1.180 424 R HN 0.480 nan 8.270 nan 0.000 0.444 425 L N 2.231 123.335 121.223 -0.199 0.000 2.275 425 L HA 0.499 4.845 4.340 0.010 0.000 0.288 425 L C 0.592 177.288 176.870 -0.289 0.000 1.046 425 L CA -0.198 54.433 54.840 -0.348 0.000 0.805 425 L CB 1.648 43.444 42.059 -0.438 0.000 1.193 425 L HN 0.642 nan 8.230 nan 0.000 0.426 426 T N 1.104 115.468 114.554 -0.317 0.000 2.598 426 T HA 0.840 5.197 4.350 0.010 0.000 0.289 426 T C -0.101 174.443 174.700 -0.260 0.000 1.056 426 T CA 0.382 62.338 62.100 -0.240 0.000 1.088 426 T CB 1.532 70.285 68.868 -0.191 0.000 1.519 426 T HN 0.987 nan 8.240 nan 0.000 0.488 427 G N 0.301 108.956 108.800 -0.241 0.000 2.451 427 G HA2 -0.005 3.961 3.960 0.010 0.000 0.208 427 G HA3 -0.005 3.961 3.960 0.010 0.000 0.208 427 G C -1.201 173.547 174.900 -0.254 0.000 1.248 427 G CA -0.216 44.736 45.100 -0.246 0.000 0.989 427 G HN 0.910 nan 8.290 nan 0.000 0.559 428 I N 0.784 121.197 120.570 -0.263 0.000 2.509 428 I HA 0.447 4.623 4.170 0.010 0.000 0.293 428 I C 0.694 176.683 176.117 -0.213 0.000 1.020 428 I CA -0.873 60.256 61.300 -0.285 0.000 1.088 428 I CB 1.822 39.533 38.000 -0.481 0.000 1.267 428 I HN 0.529 nan 8.210 nan 0.000 0.430 429 L N 5.234 126.443 121.223 -0.024 0.000 2.525 429 L HA 0.023 4.369 4.340 0.010 0.000 0.278 429 L C 0.881 177.745 176.870 -0.010 0.000 1.218 429 L CA 0.207 55.081 54.840 0.056 0.000 0.878 429 L CB -0.060 42.091 42.059 0.153 0.000 1.127 429 L HN 0.687 nan 8.230 nan 0.000 0.492 430 N N 2.353 121.084 118.700 0.051 0.000 2.475 430 N HA 0.074 4.820 4.740 0.010 0.000 0.267 430 N C -0.700 174.876 175.510 0.111 0.000 1.169 430 N CA -0.266 52.854 53.050 0.117 0.000 0.947 430 N CB 0.962 39.532 38.487 0.139 0.000 1.061 430 N HN 0.688 nan 8.380 nan 0.000 0.466 431 T N 0.983 115.671 114.554 0.224 0.000 2.908 431 T HA 0.427 4.783 4.350 0.010 0.000 0.290 431 T C -0.959 173.840 174.700 0.164 0.000 1.034 431 T CA -0.743 61.442 62.100 0.142 0.000 1.010 431 T CB 1.573 70.554 68.868 0.189 0.000 1.068 431 T HN 0.527 nan 8.240 nan 0.000 0.481 432 Y N 1.179 121.371 120.300 -0.180 0.000 2.576 432 Y HA 0.674 5.230 4.550 0.011 0.000 0.346 432 Y C -0.477 175.359 175.900 -0.108 0.000 1.018 432 Y CA -2.070 55.915 58.100 -0.191 0.000 1.050 432 Y CB 1.483 39.716 38.460 -0.377 0.000 1.280 432 Y HN 0.985 nan 8.280 nan 0.000 0.474 433 I N 4.304 124.154 120.570 -1.200 0.000 2.754 433 I HA 0.245 4.421 4.170 0.010 0.000 0.285 433 I C -1.263 174.625 176.117 -0.383 0.000 1.166 433 I CA -0.072 60.823 61.300 -0.675 0.000 1.417 433 I CB 0.447 38.078 38.000 -0.615 0.000 1.382 433 I HN 0.615 nan 8.210 nan 0.000 0.588 434 L N 7.174 128.292 121.223 -0.175 0.000 2.410 434 L HA 0.658 5.005 4.340 0.010 0.000 0.270 434 L C 0.005 176.850 176.870 -0.041 0.000 0.983 434 L CA -0.135 54.674 54.840 -0.052 0.000 0.822 434 L CB 1.559 43.597 42.059 -0.035 0.000 1.285 434 L HN 0.640 nan 8.230 nan 0.000 0.409 435 G N 2.242 111.042 108.800 0.001 0.000 2.594 435 G HA2 0.097 4.063 3.960 0.010 0.000 0.243 435 G HA3 0.097 4.063 3.960 0.010 0.000 0.243 435 G C 0.316 175.215 174.900 -0.001 0.000 1.229 435 G CA -0.166 44.936 45.100 0.004 0.000 0.843 435 G HN 0.800 nan 8.290 nan 0.000 0.578 436 D N 0.045 120.446 120.400 0.003 0.000 2.158 436 D HA -0.090 4.556 4.640 0.010 0.000 0.197 436 D C 1.059 177.359 176.300 0.000 0.000 0.995 436 D CA 1.312 55.316 54.000 0.006 0.000 0.846 436 D CB 0.270 41.077 40.800 0.013 0.000 0.941 436 D HN 0.367 nan 8.370 nan 0.000 0.456 437 D N 0.147 120.550 120.400 0.005 0.000 2.593 437 D HA 0.052 4.698 4.640 0.010 0.000 0.241 437 D C -0.094 176.213 176.300 0.011 0.000 1.257 437 D CA -0.100 53.903 54.000 0.005 0.000 0.828 437 D CB 0.446 41.250 40.800 0.007 0.000 1.049 437 D HN 0.270 nan 8.370 nan 0.000 0.490 438 E N 1.369 121.579 120.200 0.016 0.000 2.266 438 E HA 0.174 4.530 4.350 0.010 0.000 0.277 438 E C -0.530 176.084 176.600 0.024 0.000 1.018 438 E CA -0.553 55.866 56.400 0.032 0.000 0.840 438 E CB 1.343 31.075 29.700 0.053 0.000 1.082 438 E HN -0.179 nan 8.360 nan 0.000 0.395 439 E N 2.698 122.915 120.200 0.028 0.000 2.200 439 E HA 0.274 4.630 4.350 0.010 0.000 0.283 439 E C -0.179 176.440 176.600 0.032 0.000 1.015 439 E CA -0.091 56.316 56.400 0.012 0.000 0.819 439 E CB 1.425 31.120 29.700 -0.008 0.000 1.081 439 E HN 0.537 nan 8.360 nan 0.000 0.397 440 A N 4.335 127.172 122.820 0.027 0.000 2.277 440 A HA 0.220 4.546 4.320 0.010 0.000 0.208 440 A C 1.360 178.966 177.584 0.035 0.000 1.202 440 A CA 0.854 52.931 52.037 0.067 0.000 0.762 440 A CB -1.588 17.443 19.000 0.052 0.000 0.770 440 A HN 1.080 nan 8.150 nan 0.000 0.487 441 G N -0.102 108.677 108.800 -0.036 0.000 2.606 441 G HA2 -0.275 3.691 3.960 0.010 0.000 0.285 441 G HA3 -0.275 3.691 3.960 0.010 0.000 0.285 441 G C -0.941 173.794 174.900 -0.275 0.000 1.311 441 G CA 0.257 45.253 45.100 -0.173 0.000 0.922 441 G HN 0.377 nan 8.290 nan 0.000 0.559 442 P HA 0.129 nan 4.420 nan 0.000 0.251 442 P C 1.093 178.148 177.300 -0.408 0.000 1.223 442 P CA 1.281 64.029 63.100 -0.587 0.000 0.796 442 P CB -0.067 31.134 31.700 -0.831 0.000 1.068 443 W N 0.443 121.782 121.300 0.065 0.000 3.003 443 W HA 0.394 5.060 4.660 0.011 0.000 0.257 443 W C 1.070 177.669 176.519 0.133 0.000 1.308 443 W CA 0.005 57.390 57.345 0.067 0.000 1.529 443 W CB 0.108 29.549 29.460 -0.031 0.000 1.115 443 W HN -0.042 nan 8.180 nan 0.000 0.659 444 G N -0.543 108.434 108.800 0.295 0.000 2.721 444 G HA2 0.567 4.533 3.960 0.010 0.000 0.296 444 G HA3 0.567 4.533 3.960 0.010 0.000 0.296 444 G C -1.407 173.591 174.900 0.162 0.000 1.383 444 G CA -0.585 44.696 45.100 0.302 0.000 0.788 444 G HN -0.281 nan 8.290 nan 0.000 0.500 445 T N -0.103 114.522 114.554 0.119 0.000 2.876 445 T HA 0.482 4.838 4.350 0.010 0.000 0.289 445 T C -0.183 174.520 174.700 0.006 0.000 1.014 445 T CA -0.625 61.508 62.100 0.054 0.000 0.986 445 T CB 1.944 70.846 68.868 0.057 0.000 1.021 445 T HN 0.521 nan 8.240 nan 0.000 0.458 446 R N 2.729 123.220 120.500 -0.016 0.000 2.308 446 R HA 0.319 4.665 4.340 0.010 0.000 0.325 446 R C 1.033 177.292 176.300 -0.067 0.000 1.161 446 R CA -0.258 55.809 56.100 -0.055 0.000 1.022 446 R CB -0.204 30.064 30.300 -0.053 0.000 1.091 446 R HN 0.573 nan 8.270 nan 0.000 0.497 447 V N 2.089 121.926 119.914 -0.128 0.000 3.541 447 V HA 0.223 4.349 4.120 0.010 0.000 0.267 447 V C -0.209 175.867 176.094 -0.030 0.000 1.213 447 V CA 0.133 62.360 62.300 -0.122 0.000 1.149 447 V CB -1.024 30.623 31.823 -0.293 0.000 0.822 447 V HN 0.679 nan 8.190 nan 0.000 0.462 448 Y N -0.904 119.251 120.300 -0.242 0.000 2.583 448 Y HA 0.524 5.080 4.550 0.010 0.000 0.330 448 Y C -3.154 172.622 175.900 -0.207 0.000 1.185 448 Y CA -2.266 55.739 58.100 -0.157 0.000 1.107 448 Y CB 1.396 39.802 38.460 -0.091 0.000 1.344 448 Y HN -0.111 nan 8.280 nan 0.000 0.463 449 P HA 0.039 nan 4.420 nan 0.000 0.259 449 P C -0.401 176.651 177.300 -0.412 0.000 1.163 449 P CA 1.328 64.018 63.100 -0.683 0.000 0.760 449 P CB 0.297 31.226 31.700 -1.284 0.000 0.762 450 N N -0.502 118.067 118.700 -0.219 0.000 2.778 450 N HA -0.139 4.607 4.740 0.010 0.000 0.249 450 N C -0.692 174.743 175.510 -0.125 0.000 1.069 450 N CA 0.817 53.792 53.050 -0.125 0.000 0.831 450 N CB -1.553 36.888 38.487 -0.077 0.000 1.142 450 N HN 0.189 nan 8.380 nan 0.000 0.573 451 V N 1.094 120.934 119.914 -0.124 0.000 2.448 451 V HA 0.343 4.470 4.120 0.010 0.000 0.295 451 V C 0.323 176.330 176.094 -0.146 0.000 1.025 451 V CA -0.820 61.400 62.300 -0.134 0.000 0.859 451 V CB 2.034 33.755 31.823 -0.170 0.000 0.988 451 V HN 0.211 nan 8.190 nan 0.000 0.431 452 N N 3.037 121.663 118.700 -0.123 0.000 2.443 452 N HA 0.655 5.401 4.740 0.010 0.000 0.269 452 N C -0.461 174.964 175.510 -0.141 0.000 0.985 452 N CA -0.449 52.552 53.050 -0.082 0.000 0.921 452 N CB 1.321 39.815 38.487 0.012 0.000 1.195 452 N HN 0.841 nan 8.380 nan 0.000 0.492 453 A N 3.470 126.242 122.820 -0.079 0.000 2.260 453 A HA 0.267 4.593 4.320 0.010 0.000 0.312 453 A C -0.673 176.989 177.584 0.129 0.000 1.321 453 A CA -0.418 51.602 52.037 -0.029 0.000 0.928 453 A CB -0.063 18.916 19.000 -0.036 0.000 1.158 453 A HN 0.839 nan 8.150 nan 0.000 0.542 454 H N 2.325 121.506 119.070 0.185 0.000 2.732 454 H HA 0.091 4.653 4.556 0.010 0.000 0.351 454 H C 0.157 175.647 175.328 0.271 0.000 1.090 454 H CA -0.656 55.542 56.048 0.250 0.000 1.431 454 H CB 0.743 30.690 29.762 0.309 0.000 1.447 454 H HN 0.677 nan 8.280 nan 0.000 0.582 455 N N 2.885 121.773 118.700 0.313 0.000 2.381 455 N HA 0.010 4.756 4.740 0.010 0.000 0.241 455 N C -0.061 175.394 175.510 -0.092 0.000 1.279 455 N CA 0.430 53.504 53.050 0.040 0.000 0.896 455 N CB 0.446 38.995 38.487 0.104 0.000 1.118 455 N HN 0.718 nan 8.380 nan 0.000 0.438 456 H N -2.236 116.563 119.070 -0.452 0.000 2.950 456 H HA 0.325 4.887 4.556 0.010 0.000 0.307 456 H C -1.481 173.562 175.328 -0.474 0.000 1.403 456 H CA -0.782 54.875 56.048 -0.652 0.000 1.145 456 H CB 0.887 29.805 29.762 -1.406 0.000 1.844 456 H HN 0.417 nan 8.280 nan 0.000 0.515 457 Q N 0.552 120.129 119.800 -0.372 0.000 2.387 457 Q HA 0.362 4.708 4.340 0.010 0.000 0.273 457 Q C -0.902 174.962 176.000 -0.228 0.000 1.089 457 Q CA -0.949 54.699 55.803 -0.260 0.000 0.824 457 Q CB 2.665 31.301 28.738 -0.170 0.000 1.367 457 Q HN 0.502 nan 8.270 nan 0.000 0.443 458 H N 2.103 121.169 119.070 -0.007 0.000 2.638 458 H HA 0.437 4.999 4.556 0.010 0.000 0.317 458 H C -0.870 174.371 175.328 -0.146 0.000 1.006 458 H CA -0.218 55.821 56.048 -0.015 0.000 1.222 458 H CB 0.853 30.728 29.762 0.190 0.000 1.419 458 H HN 0.373 nan 8.280 nan 0.000 0.489 459 L N 3.879 124.946 121.223 -0.261 0.000 2.362 459 L HA 0.480 4.826 4.340 0.010 0.000 0.271 459 L C -0.905 175.686 176.870 -0.464 0.000 1.002 459 L CA -0.827 53.896 54.840 -0.195 0.000 0.818 459 L CB 1.563 43.602 42.059 -0.033 0.000 1.298 459 L HN 0.328 nan 8.230 nan 0.000 0.420 460 F N -0.159 119.634 119.950 -0.262 0.000 2.563 460 F HA 0.448 4.981 4.527 0.010 0.000 0.316 460 F C 0.249 175.908 175.800 -0.235 0.000 1.076 460 F CA -0.860 56.923 58.000 -0.361 0.000 0.921 460 F CB 2.149 40.677 39.000 -0.788 0.000 1.209 460 F HN 0.212 nan 8.300 nan 0.000 0.462 461 S N 3.401 119.023 115.700 -0.130 0.000 2.577 461 S HA 0.408 4.884 4.470 0.010 0.000 0.294 461 S C -0.879 173.770 174.600 0.082 0.000 1.161 461 S CA -0.573 57.550 58.200 -0.128 0.000 1.143 461 S CB -0.016 62.711 63.200 -0.788 0.000 0.991 461 S HN 0.644 nan 8.310 nan 0.000 0.475 462 L N 5.756 127.142 121.223 0.271 0.000 2.361 462 L HA 0.415 4.761 4.340 0.010 0.000 0.278 462 L C 0.300 177.164 176.870 -0.011 0.000 1.113 462 L CA -0.078 54.889 54.840 0.213 0.000 0.849 462 L CB 0.505 42.736 42.059 0.285 0.000 1.155 462 L HN 0.677 nan 8.230 nan 0.000 0.452 463 R N 6.343 126.716 120.500 -0.213 0.000 2.295 463 R HA 0.544 4.891 4.340 0.010 0.000 0.324 463 R C -1.283 174.755 176.300 -0.437 0.000 0.968 463 R CA -0.564 55.157 56.100 -0.632 0.000 0.837 463 R CB 0.968 30.795 30.300 -0.788 0.000 1.133 463 R HN 0.652 nan 8.270 nan 0.000 0.450 464 I N 3.642 123.971 120.570 -0.401 0.000 2.389 464 I HA 0.173 4.349 4.170 0.010 0.000 0.288 464 I C -0.739 175.233 176.117 -0.241 0.000 0.999 464 I CA -0.748 60.322 61.300 -0.384 0.000 1.129 464 I CB 1.957 39.681 38.000 -0.459 0.000 1.288 464 I HN 0.542 nan 8.210 nan 0.000 0.444 465 D N 9.605 129.888 120.400 -0.195 0.000 2.460 465 D HA 0.342 4.988 4.640 0.010 0.000 0.232 465 D C -2.581 173.737 176.300 0.030 0.000 1.079 465 D CA -2.116 51.856 54.000 -0.046 0.000 0.864 465 D CB 1.543 42.340 40.800 -0.005 0.000 1.048 465 D HN 0.121 nan 8.370 nan 0.000 0.523 466 P HA 0.368 nan 4.420 nan 0.000 0.279 466 P C -0.484 176.895 177.300 0.131 0.000 1.252 466 P CA -0.601 62.641 63.100 0.236 0.000 0.811 466 P CB 1.344 33.178 31.700 0.224 0.000 1.035 467 R N 1.542 122.118 120.500 0.127 0.000 2.499 467 R HA 0.253 4.599 4.340 0.010 0.000 0.252 467 R C -0.237 176.099 176.300 0.060 0.000 1.309 467 R CA -0.268 55.873 56.100 0.068 0.000 1.425 467 R CB -0.277 30.071 30.300 0.079 0.000 1.392 467 R HN 0.289 nan 8.270 nan 0.000 0.766 468 I N 2.596 123.209 120.570 0.072 0.000 2.818 468 I HA -0.043 4.133 4.170 0.010 0.000 0.285 468 I C 0.411 176.639 176.117 0.185 0.000 1.160 468 I CA 1.048 62.426 61.300 0.131 0.000 1.370 468 I CB -0.337 37.777 38.000 0.189 0.000 1.440 468 I HN 0.623 nan 8.210 nan 0.000 0.555 469 D N 5.025 125.574 120.400 0.248 0.000 2.772 469 D HA -0.145 4.501 4.640 0.010 0.000 0.233 469 D C 0.546 176.875 176.300 0.048 0.000 1.143 469 D CA 1.625 55.693 54.000 0.113 0.000 0.700 469 D CB -0.689 40.072 40.800 -0.065 0.000 1.076 469 D HN 1.179 nan 8.370 nan 0.000 0.430 470 G N -0.908 107.928 108.800 0.061 0.000 2.373 470 G HA2 -0.004 3.962 3.960 0.010 0.000 0.634 470 G HA3 -0.004 3.962 3.960 0.010 0.000 0.634 470 G C -1.175 173.739 174.900 0.023 0.000 1.267 470 G CA -0.248 44.872 45.100 0.034 0.000 1.008 470 G HN 0.206 nan 8.290 nan 0.000 0.497 471 D N 0.553 120.956 120.400 0.005 0.000 2.225 471 D HA 0.546 5.192 4.640 0.010 0.000 0.249 471 D C 0.693 176.987 176.300 -0.009 0.000 1.052 471 D CA 1.089 55.083 54.000 -0.010 0.000 0.909 471 D CB 1.439 42.225 40.800 -0.024 0.000 1.186 471 D HN 2.032 nan 8.370 nan 0.000 0.431 472 G N 1.404 110.194 108.800 -0.017 0.000 2.780 472 G HA2 -0.148 3.818 3.960 0.010 0.000 0.364 472 G HA3 -0.148 3.818 3.960 0.010 0.000 0.364 472 G C -0.802 174.077 174.900 -0.036 0.000 1.045 472 G CA -0.814 44.275 45.100 -0.018 0.000 1.202 472 G HN 0.406 nan 8.290 nan 0.000 0.534 473 N N -0.375 118.292 118.700 -0.055 0.000 2.453 473 N HA 0.896 5.643 4.740 0.010 0.000 0.290 473 N C -0.130 175.256 175.510 -0.207 0.000 1.250 473 N CA -0.309 52.669 53.050 -0.120 0.000 0.815 473 N CB 2.150 40.609 38.487 -0.045 0.000 1.381 473 N HN 0.486 nan 8.380 nan 0.000 0.510 474 S N -0.839 114.589 115.700 -0.454 0.000 2.638 474 S HA 0.919 5.395 4.470 0.010 0.000 0.274 474 S C -1.320 173.018 174.600 -0.436 0.000 1.157 474 S CA -0.736 57.175 58.200 -0.482 0.000 0.826 474 S CB 1.919 64.683 63.200 -0.727 0.000 1.139 474 S HN 0.715 nan 8.310 nan 0.000 0.474 475 A N 0.232 123.016 122.820 -0.060 0.000 2.469 475 A HA 1.019 5.346 4.320 0.010 0.000 0.299 475 A C -0.915 176.663 177.584 -0.010 0.000 1.098 475 A CA -0.537 51.626 52.037 0.210 0.000 0.737 475 A CB 1.544 20.872 19.000 0.547 0.000 1.312 475 A HN 1.497 nan 8.150 nan 0.000 0.414 476 A N -0.363 122.419 122.820 -0.063 0.000 2.606 476 A HA 0.882 5.208 4.320 0.010 0.000 0.293 476 A C -0.409 177.011 177.584 -0.273 0.000 1.082 476 A CA 0.031 51.791 52.037 -0.463 0.000 0.685 476 A CB 0.979 19.969 19.000 -0.016 0.000 1.284 476 A HN 2.457 nan 8.150 nan 0.000 0.408 477 A N -0.275 122.363 122.820 -0.302 0.000 2.312 477 A HA 0.641 4.968 4.320 0.010 0.000 0.328 477 A C -0.469 177.038 177.584 -0.127 0.000 1.158 477 A CA -0.382 51.606 52.037 -0.081 0.000 0.821 477 A CB 0.492 19.571 19.000 0.131 0.000 1.170 477 A HN 1.309 nan 8.150 nan 0.000 0.490 478 C N 2.174 121.360 119.300 -0.191 0.000 2.344 478 C HA 0.587 5.053 4.460 0.010 0.000 0.326 478 C C -0.944 173.947 174.990 -0.166 0.000 1.201 478 C CA -0.888 58.050 59.018 -0.134 0.000 1.410 478 C CB 0.152 27.840 27.740 -0.087 0.000 2.070 478 C HN 0.792 nan 8.230 nan 0.000 0.445 479 D N 2.243 122.558 120.400 -0.142 0.000 2.375 479 D HA 0.490 5.137 4.640 0.010 0.000 0.247 479 D C -0.254 175.932 176.300 -0.191 0.000 1.061 479 D CA 0.074 53.975 54.000 -0.164 0.000 0.834 479 D CB 2.279 42.992 40.800 -0.144 0.000 1.247 479 D HN 0.657 nan 8.370 nan 0.000 0.489 480 A N 3.017 125.725 122.820 -0.186 0.000 2.450 480 A HA 0.372 4.698 4.320 0.010 0.000 0.255 480 A C 0.114 177.539 177.584 -0.266 0.000 1.096 480 A CA 0.013 51.922 52.037 -0.213 0.000 0.778 480 A CB 0.430 19.307 19.000 -0.204 0.000 1.031 480 A HN 0.400 nan 8.150 nan 0.000 0.494 481 K N 2.118 122.299 120.400 -0.364 0.000 2.498 481 K HA 0.403 4.730 4.320 0.010 0.000 0.254 481 K C -0.808 175.731 176.600 -0.103 0.000 0.933 481 K CA -0.595 55.507 56.287 -0.308 0.000 0.806 481 K CB 2.212 34.433 32.500 -0.466 0.000 1.301 481 K HN 0.627 nan 8.250 nan 0.000 0.432 482 S N 1.024 116.748 115.700 0.040 0.000 2.585 482 S HA 0.037 4.513 4.470 0.010 0.000 0.273 482 S C 0.461 175.250 174.600 0.315 0.000 1.339 482 S CA -0.307 58.007 58.200 0.188 0.000 1.028 482 S CB 1.036 64.309 63.200 0.122 0.000 0.906 482 S HN 0.621 nan 8.310 nan 0.000 0.528 483 S N 2.466 118.385 115.700 0.364 0.000 2.568 483 S HA 0.107 4.584 4.470 0.010 0.000 0.282 483 S C -1.268 173.480 174.600 0.248 0.000 1.338 483 S CA -1.085 57.331 58.200 0.360 0.000 1.045 483 S CB 0.294 63.665 63.200 0.284 0.000 0.873 483 S HN 0.544 nan 8.310 nan 0.000 0.516 484 P HA 0.015 nan 4.420 nan 0.000 0.229 484 P C -0.305 176.935 177.300 -0.101 0.000 1.160 484 P CA 0.669 63.766 63.100 -0.005 0.000 0.777 484 P CB -0.122 31.505 31.700 -0.121 0.000 0.814 485 Y N 2.500 122.826 120.300 0.042 0.000 2.359 485 Y HA 0.213 4.769 4.550 0.010 0.000 0.330 485 Y C -1.368 174.551 175.900 0.032 0.000 1.143 485 Y CA -2.320 55.795 58.100 0.026 0.000 1.318 485 Y CB -0.329 38.139 38.460 0.013 0.000 1.234 485 Y HN 0.021 nan 8.280 nan 0.000 0.522 486 P HA 0.059 nan 4.420 nan 0.000 0.276 486 P C -0.370 176.981 177.300 0.085 0.000 1.252 486 P CA -0.549 62.608 63.100 0.094 0.000 0.802 486 P CB 1.206 32.939 31.700 0.056 0.000 1.035 487 L N 0.628 121.885 121.223 0.057 0.000 2.543 487 L HA 0.050 4.396 4.340 0.010 0.000 0.285 487 L C 1.578 178.446 176.870 -0.003 0.000 1.236 487 L CA 1.855 56.714 54.840 0.030 0.000 0.871 487 L CB -0.689 41.386 42.059 0.026 0.000 1.121 487 L HN 0.912 nan 8.230 nan 0.000 0.501 488 G N 2.262 111.029 108.800 -0.056 0.000 2.205 488 G HA2 -0.297 3.669 3.960 0.010 0.000 0.261 488 G HA3 -0.297 3.669 3.960 0.010 0.000 0.261 488 G C 0.276 175.142 174.900 -0.056 0.000 0.980 488 G CA 0.418 45.467 45.100 -0.084 0.000 0.632 488 G HN 0.910 nan 8.290 nan 0.000 0.533 489 S N 0.152 115.844 115.700 -0.014 0.000 2.601 489 S HA 0.635 5.111 4.470 0.010 0.000 0.271 489 S C -0.935 173.641 174.600 -0.041 0.000 1.305 489 S CA -0.705 57.499 58.200 0.007 0.000 1.022 489 S CB 2.242 65.500 63.200 0.097 0.000 0.940 489 S HN -0.021 nan 8.310 nan 0.000 0.525 490 P HA -0.071 nan 4.420 nan 0.000 0.219 490 P C 0.590 177.820 177.300 -0.116 0.000 1.146 490 P CA 1.155 64.209 63.100 -0.076 0.000 0.808 490 P CB -0.009 31.649 31.700 -0.070 0.000 0.779 491 E N -2.045 118.041 120.200 -0.189 0.000 2.442 491 E HA 0.018 4.375 4.350 0.010 0.000 0.195 491 E C 0.631 177.139 176.600 -0.154 0.000 1.030 491 E CA 0.389 56.602 56.400 -0.312 0.000 0.869 491 E CB -0.226 28.945 29.700 -0.882 0.000 0.857 491 E HN 0.076 nan 8.360 nan 0.000 0.505 492 N N -0.229 118.445 118.700 -0.044 0.000 2.605 492 N HA 0.068 4.814 4.740 0.010 0.000 0.265 492 N C 0.201 175.726 175.510 0.025 0.000 1.625 492 N CA 0.006 53.078 53.050 0.037 0.000 0.862 492 N CB -0.023 38.530 38.487 0.111 0.000 1.415 492 N HN -0.068 nan 8.380 nan 0.000 0.513 493 M N 0.285 119.871 119.600 -0.023 0.000 2.103 493 M HA -0.127 4.359 4.480 0.010 0.000 0.255 493 M C 0.227 176.346 176.300 -0.302 0.000 1.074 493 M CA 2.099 57.285 55.300 -0.190 0.000 1.090 493 M CB -0.320 32.103 32.600 -0.294 0.000 1.325 493 M HN 0.380 nan 8.290 nan 0.000 0.403 494 Y N -0.754 119.558 120.300 0.021 0.000 2.485 494 Y HA 0.464 5.021 4.550 0.010 0.000 0.260 494 Y C 1.407 177.332 175.900 0.043 0.000 1.173 494 Y CA -0.052 58.065 58.100 0.028 0.000 1.252 494 Y CB -0.446 38.027 38.460 0.022 0.000 1.123 494 Y HN 0.408 nan 8.280 nan 0.000 0.524 495 G N 1.870 110.761 108.800 0.152 0.000 2.305 495 G HA2 -0.374 3.593 3.960 0.010 0.000 0.287 495 G HA3 -0.374 3.593 3.960 0.010 0.000 0.287 495 G C 0.767 175.760 174.900 0.156 0.000 1.036 495 G CA 0.805 45.986 45.100 0.135 0.000 0.887 495 G HN 0.602 nan 8.290 nan 0.000 0.505 496 N N -0.613 118.189 118.700 0.170 0.000 2.220 496 N HA 0.382 5.128 4.740 0.010 0.000 0.195 496 N C 1.010 176.641 175.510 0.201 0.000 1.123 496 N CA 0.590 53.749 53.050 0.181 0.000 0.874 496 N CB 0.172 38.742 38.487 0.139 0.000 0.995 496 N HN 0.930 nan 8.380 nan 0.000 0.498 497 A N 1.082 123.998 122.820 0.160 0.000 2.511 497 A HA 0.437 4.763 4.320 0.010 0.000 0.242 497 A C -0.448 177.300 177.584 0.275 0.000 1.069 497 A CA -0.098 52.014 52.037 0.125 0.000 0.763 497 A CB -0.482 18.582 19.000 0.108 0.000 1.001 497 A HN 0.484 nan 8.150 nan 0.000 0.498 498 F N 0.743 120.788 119.950 0.159 0.000 2.703 498 F HA 0.701 5.235 4.527 0.010 0.000 0.308 498 F C -1.193 174.749 175.800 0.237 0.000 1.126 498 F CA -1.607 56.504 58.000 0.185 0.000 0.959 498 F CB 0.601 39.640 39.000 0.065 0.000 1.297 498 F HN 0.805 nan 8.300 nan 0.000 0.441 499 Y N -0.178 120.319 120.300 0.328 0.000 2.818 499 Y HA 0.815 5.371 4.550 0.010 0.000 0.322 499 Y C -1.351 174.665 175.900 0.193 0.000 1.323 499 Y CA -1.722 56.486 58.100 0.180 0.000 1.090 499 Y CB 0.874 39.377 38.460 0.072 0.000 1.328 499 Y HN 0.839 nan 8.280 nan 0.000 0.482 500 S N 0.552 116.279 115.700 0.045 0.000 2.456 500 S HA 0.304 4.780 4.470 0.010 0.000 0.316 500 S C -1.010 173.579 174.600 -0.018 0.000 1.089 500 S CA -0.583 57.574 58.200 -0.071 0.000 1.101 500 S CB 0.381 63.594 63.200 0.021 0.000 0.995 500 S HN 0.724 nan 8.310 nan 0.000 0.468 501 E N 3.995 124.110 120.200 -0.141 0.000 2.152 501 E HA 0.203 4.559 4.350 0.010 0.000 0.285 501 E C -0.552 176.048 176.600 0.000 0.000 1.043 501 E CA -0.383 56.032 56.400 0.023 0.000 0.839 501 E CB 0.515 30.212 29.700 -0.006 0.000 1.069 501 E HN 0.520 nan 8.360 nan 0.000 0.399 502 K N 3.636 124.048 120.400 0.020 0.000 2.240 502 K HA 0.221 4.548 4.320 0.010 0.000 0.271 502 K C -1.206 175.389 176.600 -0.008 0.000 1.018 502 K CA -0.373 55.896 56.287 -0.030 0.000 0.874 502 K CB 1.179 33.634 32.500 -0.076 0.000 1.098 502 K HN 0.388 nan 8.250 nan 0.000 0.458 503 T N 3.147 117.690 114.554 -0.018 0.000 2.947 503 T HA 0.066 4.423 4.350 0.010 0.000 0.337 503 T C -0.152 174.508 174.700 -0.066 0.000 1.139 503 T CA -0.509 61.606 62.100 0.025 0.000 0.992 503 T CB 0.806 69.739 68.868 0.108 0.000 1.043 503 T HN 0.638 nan 8.240 nan 0.000 0.498 504 T N 2.309 116.862 114.554 -0.001 0.000 2.832 504 T HA 0.498 4.854 4.350 0.010 0.000 0.296 504 T C -0.043 174.722 174.700 0.109 0.000 0.968 504 T CA -0.674 61.421 62.100 -0.009 0.000 1.107 504 T CB -0.142 68.856 68.868 0.217 0.000 0.916 504 T HN 0.209 nan 8.240 nan 0.000 0.517 505 F N 3.596 123.662 119.950 0.194 0.000 2.504 505 F HA 0.386 4.919 4.527 0.010 0.000 0.369 505 F C 1.387 177.251 175.800 0.106 0.000 1.082 505 F CA -0.957 57.125 58.000 0.136 0.000 1.216 505 F CB 0.590 39.669 39.000 0.132 0.000 1.108 505 F HN 0.706 nan 8.300 nan 0.000 0.554 506 K N 0.168 120.733 120.400 0.274 0.000 2.313 506 K HA 0.130 4.456 4.320 0.010 0.000 0.197 506 K C 0.447 177.125 176.600 0.130 0.000 1.061 506 K CA 0.556 56.944 56.287 0.168 0.000 0.980 506 K CB 0.500 33.079 32.500 0.131 0.000 0.888 506 K HN 0.569 nan 8.250 nan 0.000 0.502 507 T N -0.220 114.406 114.554 0.121 0.000 2.893 507 T HA 0.157 4.514 4.350 0.010 0.000 0.291 507 T C 1.096 175.816 174.700 0.033 0.000 1.028 507 T CA -0.646 61.495 62.100 0.068 0.000 0.995 507 T CB 2.029 70.926 68.868 0.049 0.000 1.051 507 T HN -0.268 nan 8.240 nan 0.000 0.470 508 V N 3.361 123.282 119.914 0.012 0.000 2.277 508 V HA -0.231 3.895 4.120 0.010 0.000 0.253 508 V C 2.642 178.671 176.094 -0.109 0.000 1.067 508 V CA 2.102 64.382 62.300 -0.034 0.000 1.047 508 V CB -0.504 31.310 31.823 -0.015 0.000 0.649 508 V HN 0.834 nan 8.190 nan 0.000 0.447 509 K N -0.383 119.969 120.400 -0.079 0.000 2.152 509 K HA -0.246 4.081 4.320 0.010 0.000 0.206 509 K C 1.766 178.274 176.600 -0.154 0.000 1.048 509 K CA 1.829 58.052 56.287 -0.107 0.000 0.933 509 K CB -0.248 32.222 32.500 -0.050 0.000 0.721 509 K HN 0.526 nan 8.250 nan 0.000 0.447 510 D N 0.068 120.393 120.400 -0.125 0.000 2.178 510 D HA -0.124 4.523 4.640 0.010 0.000 0.202 510 D C 1.947 177.894 176.300 -0.589 0.000 0.974 510 D CA 1.483 55.403 54.000 -0.134 0.000 0.841 510 D CB -0.085 40.774 40.800 0.098 0.000 0.953 510 D HN 0.342 nan 8.370 nan 0.000 0.478 511 S N 0.328 115.525 115.700 -0.839 0.000 2.453 511 S HA -0.060 4.417 4.470 0.010 0.000 0.231 511 S C 1.353 175.478 174.600 -0.792 0.000 1.005 511 S CA 0.008 57.340 58.200 -1.447 0.000 0.949 511 S CB -0.585 62.157 63.200 -0.764 0.000 0.774 511 S HN 0.196 nan 8.310 nan 0.000 0.510 512 L N 3.872 124.769 121.223 -0.544 0.000 2.583 512 L HA 0.178 4.525 4.340 0.010 0.000 0.280 512 L C 0.416 177.112 176.870 -0.289 0.000 1.261 512 L CA -0.165 54.312 54.840 -0.604 0.000 1.164 512 L CB -1.455 40.075 42.059 -0.881 0.000 1.402 512 L HN 0.429 nan 8.230 nan 0.000 0.443 513 T N -1.331 113.204 114.554 -0.031 0.000 2.926 513 T HA 0.575 4.932 4.350 0.010 0.000 0.289 513 T C -0.187 174.786 174.700 0.455 0.000 1.054 513 T CA -1.058 61.212 62.100 0.285 0.000 1.015 513 T CB 2.564 71.738 68.868 0.510 0.000 1.167 513 T HN 0.189 nan 8.240 nan 0.000 0.526 514 N N -0.520 118.470 118.700 0.484 0.000 2.312 514 N HA 0.370 5.116 4.740 0.010 0.000 0.296 514 N C -1.635 174.237 175.510 0.603 0.000 1.193 514 N CA -0.717 52.634 53.050 0.501 0.000 0.773 514 N CB 1.479 40.145 38.487 0.299 0.000 1.435 514 N HN 0.782 nan 8.380 nan 0.000 0.484 515 Y N 1.019 121.664 120.300 0.576 0.000 2.425 515 Y HA 0.139 4.695 4.550 0.010 0.000 0.331 515 Y C -0.321 175.700 175.900 0.202 0.000 1.157 515 Y CA 0.295 58.659 58.100 0.439 0.000 1.372 515 Y CB 0.567 39.333 38.460 0.510 0.000 1.253 515 Y HN 0.268 nan 8.280 nan 0.000 0.536 516 E N 3.902 123.596 120.200 -0.842 0.000 2.185 516 E HA 0.136 4.492 4.350 0.010 0.000 0.261 516 E C 0.493 176.600 176.600 -0.822 0.000 0.879 516 E CA -0.030 56.008 56.400 -0.603 0.000 0.756 516 E CB 1.644 31.162 29.700 -0.305 0.000 1.152 516 E HN 0.825 nan 8.360 nan 0.000 0.416 517 S N 1.882 117.279 115.700 -0.505 0.000 2.399 517 S HA -0.161 4.316 4.470 0.010 0.000 0.231 517 S C 1.851 176.353 174.600 -0.163 0.000 1.022 517 S CA 0.925 58.985 58.200 -0.234 0.000 0.983 517 S CB -0.096 63.104 63.200 -0.001 0.000 0.803 517 S HN 0.488 nan 8.310 nan 0.000 0.480 518 A N 1.802 124.528 122.820 -0.157 0.000 2.070 518 A HA 0.002 4.328 4.320 0.010 0.000 0.220 518 A C 2.241 179.744 177.584 -0.135 0.000 1.159 518 A CA 1.755 53.722 52.037 -0.116 0.000 0.656 518 A CB -0.937 18.008 19.000 -0.092 0.000 0.800 518 A HN 0.803 nan 8.150 nan 0.000 0.453 519 T N -5.437 109.008 114.554 -0.181 0.000 3.145 519 T HA 0.434 4.790 4.350 0.010 0.000 0.281 519 T C 1.038 175.635 174.700 -0.172 0.000 1.003 519 T CA 0.847 62.841 62.100 -0.176 0.000 0.901 519 T CB -0.088 68.674 68.868 -0.178 0.000 1.112 519 T HN 1.608 nan 8.240 nan 0.000 0.535 520 G N 2.855 111.563 108.800 -0.154 0.000 2.395 520 G HA2 -0.343 3.623 3.960 0.010 0.000 0.300 520 G HA3 -0.343 3.623 3.960 0.010 0.000 0.300 520 G C 0.019 174.898 174.900 -0.035 0.000 0.998 520 G CA 0.352 45.434 45.100 -0.030 0.000 1.046 520 G HN 0.946 nan 8.290 nan 0.000 0.513 521 R N -0.032 120.358 120.500 -0.183 0.000 2.570 521 R HA 0.413 4.759 4.340 0.010 0.000 0.277 521 R C 0.710 176.871 176.300 -0.232 0.000 1.039 521 R CA 0.697 56.624 56.100 -0.289 0.000 1.065 521 R CB 0.307 30.302 30.300 -0.508 0.000 0.964 521 R HN 0.639 nan 8.270 nan 0.000 0.428 522 S N 3.657 119.138 115.700 -0.365 0.000 2.627 522 S HA 0.596 5.072 4.470 0.010 0.000 0.283 522 S C -1.203 173.229 174.600 -0.280 0.000 1.127 522 S CA -1.024 57.059 58.200 -0.195 0.000 0.863 522 S CB 1.408 64.609 63.200 0.001 0.000 1.121 522 S HN 0.633 nan 8.310 nan 0.000 0.479 523 W N 0.636 122.037 121.300 0.168 0.000 2.819 523 W HA 0.442 5.109 4.660 0.011 0.000 0.337 523 W C -1.309 175.306 176.519 0.159 0.000 1.077 523 W CA -0.448 57.028 57.345 0.219 0.000 1.226 523 W CB 2.115 31.828 29.460 0.421 0.000 1.419 523 W HN 0.626 nan 8.180 nan 0.000 0.502 524 D N 2.113 122.742 120.400 0.383 0.000 2.248 524 D HA 0.530 5.176 4.640 0.010 0.000 0.246 524 D C -0.421 176.137 176.300 0.430 0.000 1.027 524 D CA -0.379 53.819 54.000 0.329 0.000 0.853 524 D CB 2.247 43.194 40.800 0.245 0.000 1.243 524 D HN 0.093 nan 8.370 nan 0.000 0.462 525 I N 2.999 123.776 120.570 0.346 0.000 2.382 525 I HA 0.407 4.583 4.170 0.010 0.000 0.286 525 I C -0.672 175.658 176.117 0.356 0.000 1.002 525 I CA -0.893 60.569 61.300 0.269 0.000 1.135 525 I CB 0.466 38.548 38.000 0.136 0.000 1.288 525 I HN 0.229 nan 8.210 nan 0.000 0.448 526 F N 3.237 123.269 119.950 0.136 0.000 2.675 526 F HA 0.522 5.056 4.527 0.012 0.000 0.324 526 F C -0.833 175.025 175.800 0.098 0.000 1.106 526 F CA -1.423 56.649 58.000 0.120 0.000 0.970 526 F CB 1.401 40.451 39.000 0.083 0.000 1.385 526 F HN 0.263 nan 8.300 nan 0.000 0.489 527 N N 2.159 121.018 118.700 0.266 0.000 2.609 527 N HA 0.384 5.130 4.740 0.010 0.000 0.234 527 N C -2.022 173.616 175.510 0.212 0.000 1.001 527 N CA -2.154 50.970 53.050 0.124 0.000 0.926 527 N CB 1.237 39.782 38.487 0.098 0.000 1.130 527 N HN 0.366 nan 8.380 nan 0.000 0.510 528 P HA -0.079 nan 4.420 nan 0.000 0.234 528 P C -0.111 177.260 177.300 0.118 0.000 1.167 528 P CA 0.865 64.109 63.100 0.241 0.000 0.763 528 P CB 0.290 32.109 31.700 0.198 0.000 0.835 529 N N -0.099 118.645 118.700 0.073 0.000 2.398 529 N HA 0.044 4.791 4.740 0.010 0.000 0.188 529 N C 0.532 176.058 175.510 0.026 0.000 1.122 529 N CA 0.591 53.665 53.050 0.040 0.000 0.866 529 N CB 0.420 38.921 38.487 0.022 0.000 0.970 529 N HN 0.360 nan 8.380 nan 0.000 0.462 530 K N 0.091 120.511 120.400 0.033 0.000 2.444 530 K HA 0.624 4.950 4.320 0.010 0.000 0.252 530 K C -1.023 175.578 176.600 0.001 0.000 0.993 530 K CA -0.745 55.542 56.287 0.000 0.000 0.847 530 K CB 3.003 35.485 32.500 -0.030 0.000 1.340 530 K HN -0.313 nan 8.250 nan 0.000 0.446 531 V N 0.593 120.492 119.914 -0.025 0.000 2.789 531 V HA 0.293 4.419 4.120 0.010 0.000 0.311 531 V C -0.608 175.459 176.094 -0.044 0.000 1.073 531 V CA -1.185 61.099 62.300 -0.027 0.000 0.921 531 V CB 1.839 33.651 31.823 -0.018 0.000 1.009 531 V HN 0.757 nan 8.190 nan 0.000 0.426 532 N N 4.880 123.564 118.700 -0.027 0.000 2.470 532 N HA 0.202 4.948 4.740 0.010 0.000 0.268 532 N C -1.528 173.974 175.510 -0.013 0.000 1.136 532 N CA -1.448 51.586 53.050 -0.027 0.000 0.961 532 N CB 2.157 40.682 38.487 0.063 0.000 1.067 532 N HN 0.403 nan 8.380 nan 0.000 0.468 533 P HA -0.120 nan 4.420 nan 0.000 0.222 533 P C 0.498 177.890 177.300 0.153 0.000 1.147 533 P CA 1.255 64.339 63.100 -0.026 0.000 0.790 533 P CB 0.188 31.811 31.700 -0.129 0.000 0.780 534 Y N 0.915 121.224 120.300 0.015 0.000 2.259 534 Y HA -0.004 4.552 4.550 0.011 0.000 0.285 534 Y C 2.924 178.842 175.900 0.030 0.000 1.130 534 Y CA 0.892 59.002 58.100 0.017 0.000 1.144 534 Y CB -1.451 37.019 38.460 0.016 0.000 1.093 534 Y HN 0.028 nan 8.280 nan 0.000 0.507 535 S N -0.741 115.115 115.700 0.259 0.000 2.428 535 S HA 0.093 4.570 4.470 0.010 0.000 0.230 535 S C 1.925 176.581 174.600 0.094 0.000 1.014 535 S CA 1.020 59.338 58.200 0.196 0.000 0.957 535 S CB -0.562 62.859 63.200 0.368 0.000 0.784 535 S HN 0.719 nan 8.310 nan 0.000 0.499 536 G N 0.723 109.565 108.800 0.069 0.000 2.179 536 G HA2 -0.211 3.755 3.960 0.010 0.000 0.260 536 G HA3 -0.211 3.755 3.960 0.010 0.000 0.260 536 G C -0.023 174.843 174.900 -0.057 0.000 0.977 536 G CA 0.380 45.485 45.100 0.008 0.000 0.641 536 G HN 0.535 nan 8.290 nan 0.000 0.533 537 K N 1.015 121.345 120.400 -0.115 0.000 2.095 537 K HA 0.558 4.884 4.320 0.010 0.000 0.252 537 K C -2.242 174.261 176.600 -0.162 0.000 0.977 537 K CA -2.491 53.631 56.287 -0.274 0.000 0.900 537 K CB 1.264 33.295 32.500 -0.782 0.000 1.060 537 K HN 0.152 nan 8.250 nan 0.000 0.449 538 P HA 0.142 nan 4.420 nan 0.000 0.272 538 P C -2.492 174.832 177.300 0.039 0.000 1.223 538 P CA -1.312 61.780 63.100 -0.012 0.000 0.784 538 P CB -0.286 31.465 31.700 0.085 0.000 0.923 539 P HA 0.058 nan 4.420 nan 0.000 0.271 539 P C -0.200 177.263 177.300 0.272 0.000 1.216 539 P CA 0.424 63.582 63.100 0.096 0.000 0.776 539 P CB 0.522 32.150 31.700 -0.121 0.000 0.881 540 S N 1.865 117.766 115.700 0.335 0.000 2.615 540 S HA 0.591 5.067 4.470 0.010 0.000 0.269 540 S C -1.909 172.829 174.600 0.230 0.000 1.161 540 S CA -0.650 57.755 58.200 0.342 0.000 0.817 540 S CB 1.125 64.491 63.200 0.278 0.000 1.131 540 S HN 0.272 nan 8.310 nan 0.000 0.467 541 Y N 0.943 121.305 120.300 0.103 0.000 2.361 541 Y HA 0.581 5.137 4.550 0.011 0.000 0.337 541 Y C -0.034 175.914 175.900 0.079 0.000 0.965 541 Y CA -0.478 57.633 58.100 0.018 0.000 1.091 541 Y CB 1.975 40.395 38.460 -0.066 0.000 1.182 541 Y HN 0.884 nan 8.280 nan 0.000 0.450 542 K N 4.378 124.833 120.400 0.091 0.000 2.183 542 K HA 0.470 4.797 4.320 0.010 0.000 0.274 542 K C -1.350 175.317 176.600 0.111 0.000 1.009 542 K CA -0.864 55.492 56.287 0.115 0.000 0.888 542 K CB 0.852 33.396 32.500 0.074 0.000 1.078 542 K HN 0.621 nan 8.250 nan 0.000 0.459 543 L N 5.849 127.152 121.223 0.134 0.000 2.325 543 L HA 0.240 4.586 4.340 0.010 0.000 0.284 543 L C -1.332 175.634 176.870 0.160 0.000 1.089 543 L CA 0.027 54.918 54.840 0.085 0.000 0.836 543 L CB 1.081 43.153 42.059 0.022 0.000 1.184 543 L HN 0.402 nan 8.230 nan 0.000 0.444 544 V N 5.191 125.149 119.914 0.073 0.000 2.275 544 V HA 0.500 4.627 4.120 0.010 0.000 0.272 544 V C 0.048 176.157 176.094 0.026 0.000 1.028 544 V CA -0.165 62.176 62.300 0.068 0.000 0.810 544 V CB 0.741 32.582 31.823 0.030 0.000 1.043 544 V HN 0.865 nan 8.190 nan 0.000 0.453 545 S N 2.844 118.589 115.700 0.075 0.000 2.547 545 S HA 0.592 5.068 4.470 0.010 0.000 0.281 545 S C 0.382 174.921 174.600 -0.102 0.000 1.118 545 S CA -0.200 58.026 58.200 0.043 0.000 0.947 545 S CB 2.253 65.549 63.200 0.159 0.000 1.053 545 S HN 0.639 nan 8.310 nan 0.000 0.482 546 T N 2.858 117.298 114.554 -0.191 0.000 2.966 546 T HA 0.226 4.583 4.350 0.010 0.000 0.254 546 T C 0.074 174.660 174.700 -0.190 0.000 0.961 546 T CA 0.162 61.972 62.100 -0.482 0.000 0.915 546 T CB 0.145 68.820 68.868 -0.321 0.000 1.186 546 T HN 0.640 nan 8.240 nan 0.000 0.505 547 Q N 1.355 121.160 119.800 0.008 0.000 3.027 547 Q HA 0.262 4.608 4.340 0.010 0.000 0.260 547 Q C -0.879 175.246 176.000 0.209 0.000 1.379 547 Q CA -0.228 55.643 55.803 0.114 0.000 1.038 547 Q CB -0.389 28.431 28.738 0.137 0.000 1.578 547 Q HN 0.346 nan 8.270 nan 0.000 0.571 548 C N 2.821 122.244 119.300 0.206 0.000 2.621 548 C HA 0.368 4.834 4.460 0.010 0.000 0.272 548 C C -2.088 173.049 174.990 0.245 0.000 1.119 548 C CA -1.993 57.191 59.018 0.276 0.000 1.593 548 C CB -0.725 27.267 27.740 0.420 0.000 1.749 548 C HN 0.527 nan 8.230 nan 0.000 0.420 549 P HA 0.288 nan 4.420 nan 0.000 0.275 549 P C -2.286 175.073 177.300 0.098 0.000 1.227 549 P CA -0.798 62.377 63.100 0.126 0.000 0.781 549 P CB 0.097 31.845 31.700 0.080 0.000 0.906 550 P HA 0.151 nan 4.420 nan 0.000 0.277 550 P C -0.682 176.610 177.300 -0.014 0.000 1.240 550 P CA -0.542 62.581 63.100 0.038 0.000 0.798 550 P CB 0.589 32.314 31.700 0.042 0.000 0.979 551 L N 3.042 124.223 121.223 -0.069 0.000 2.500 551 L HA 0.036 4.383 4.340 0.010 0.000 0.272 551 L C 1.092 177.908 176.870 -0.090 0.000 1.149 551 L CA 0.420 55.192 54.840 -0.113 0.000 0.897 551 L CB -0.631 41.318 42.059 -0.183 0.000 1.178 551 L HN 0.327 nan 8.230 nan 0.000 0.473 552 L N 4.880 126.058 121.223 -0.075 0.000 2.240 552 L HA 0.128 4.474 4.340 0.010 0.000 0.211 552 L C 1.382 178.210 176.870 -0.070 0.000 1.106 552 L CA 0.417 55.228 54.840 -0.048 0.000 0.793 552 L CB -0.507 41.540 42.059 -0.021 0.000 0.927 552 L HN 0.830 nan 8.230 nan 0.000 0.446 553 A N 0.656 123.411 122.820 -0.108 0.000 2.477 553 A HA 0.167 4.493 4.320 0.010 0.000 0.246 553 A C 0.265 177.773 177.584 -0.127 0.000 1.078 553 A CA -0.194 51.766 52.037 -0.128 0.000 0.770 553 A CB 0.113 19.012 19.000 -0.168 0.000 1.011 553 A HN 0.053 nan 8.150 nan 0.000 0.494 554 K N 1.411 121.742 120.400 -0.115 0.000 2.336 554 K HA 0.114 4.440 4.320 0.010 0.000 0.262 554 K C 0.313 176.838 176.600 -0.126 0.000 0.992 554 K CA 0.464 56.689 56.287 -0.104 0.000 0.927 554 K CB 0.303 32.749 32.500 -0.090 0.000 0.956 554 K HN 0.776 nan 8.250 nan 0.000 0.495 555 E N 0.210 120.342 120.200 -0.113 0.000 2.398 555 E HA 0.168 4.524 4.350 0.010 0.000 0.263 555 E C 0.799 177.324 176.600 -0.124 0.000 1.046 555 E CA 0.404 56.729 56.400 -0.124 0.000 0.908 555 E CB 0.391 30.031 29.700 -0.100 0.000 0.963 555 E HN 0.759 nan 8.360 nan 0.000 0.431 556 G N 2.127 110.841 108.800 -0.145 0.000 2.179 556 G HA2 -0.349 3.618 3.960 0.010 0.000 0.260 556 G HA3 -0.349 3.618 3.960 0.010 0.000 0.260 556 G C 0.428 175.228 174.900 -0.166 0.000 0.977 556 G CA 0.435 45.447 45.100 -0.145 0.000 0.641 556 G HN 0.710 nan 8.290 nan 0.000 0.533 557 S N -0.352 115.241 115.700 -0.179 0.000 2.614 557 S HA 0.645 5.121 4.470 0.010 0.000 0.265 557 S C 1.616 176.063 174.600 -0.254 0.000 1.303 557 S CA -0.065 58.018 58.200 -0.194 0.000 1.000 557 S CB 1.581 64.668 63.200 -0.189 0.000 0.935 557 S HN 0.421 nan 8.310 nan 0.000 0.551 558 L N 1.162 122.222 121.223 -0.271 0.000 2.012 558 L HA -0.126 4.221 4.340 0.010 0.000 0.210 558 L C 2.605 179.205 176.870 -0.450 0.000 1.073 558 L CA 1.451 56.081 54.840 -0.351 0.000 0.748 558 L CB -0.640 41.219 42.059 -0.334 0.000 0.891 558 L HN 0.692 nan 8.230 nan 0.000 0.431 559 V N -0.101 119.527 119.914 -0.477 0.000 2.255 559 V HA -0.346 3.780 4.120 0.010 0.000 0.247 559 V C 2.682 178.563 176.094 -0.356 0.000 1.051 559 V CA 1.990 64.032 62.300 -0.430 0.000 1.018 559 V CB -0.958 30.665 31.823 -0.334 0.000 0.641 559 V HN 0.557 nan 8.190 nan 0.000 0.445 560 A N -0.862 121.765 122.820 -0.321 0.000 1.972 560 A HA -0.196 4.131 4.320 0.010 0.000 0.219 560 A C 2.299 179.688 177.584 -0.325 0.000 1.169 560 A CA 1.674 53.525 52.037 -0.310 0.000 0.635 560 A CB -0.358 18.492 19.000 -0.249 0.000 0.810 560 A HN 0.534 nan 8.150 nan 0.000 0.446 561 K N -0.589 119.599 120.400 -0.353 0.000 2.076 561 K HA -0.033 4.293 4.320 0.010 0.000 0.204 561 K C 2.107 178.385 176.600 -0.537 0.000 1.051 561 K CA 1.122 57.159 56.287 -0.416 0.000 0.949 561 K CB -0.150 32.073 32.500 -0.463 0.000 0.726 561 K HN 0.418 nan 8.250 nan 0.000 0.443 562 R N 0.250 120.444 120.500 -0.510 0.000 2.193 562 R HA 0.053 4.399 4.340 0.010 0.000 0.213 562 R C 0.743 176.979 176.300 -0.106 0.000 1.055 562 R CA 0.592 56.445 56.100 -0.412 0.000 0.995 562 R CB 0.220 30.382 30.300 -0.230 0.000 0.893 562 R HN -0.011 nan 8.270 nan 0.000 0.459 563 A N 1.748 124.397 122.820 -0.286 0.000 3.165 563 A HA 0.291 4.617 4.320 0.010 0.000 0.331 563 A C -1.963 175.186 177.584 -0.725 0.000 1.034 563 A CA -1.330 50.364 52.037 -0.572 0.000 0.906 563 A CB 0.446 18.980 19.000 -0.778 0.000 1.054 563 A HN -0.061 nan 8.150 nan 0.000 0.484 564 P HA -0.174 nan 4.420 nan 0.000 0.219 564 P C 1.386 178.558 177.300 -0.214 0.000 1.146 564 P CA 1.147 64.104 63.100 -0.239 0.000 0.808 564 P CB -0.197 31.451 31.700 -0.086 0.000 0.779 565 W N 0.145 121.402 121.300 -0.073 0.000 2.467 565 W HA 0.247 4.913 4.660 0.009 0.000 0.275 565 W C 1.640 178.163 176.519 0.007 0.000 1.239 565 W CA 0.611 57.932 57.345 -0.039 0.000 1.266 565 W CB -1.800 27.629 29.460 -0.053 0.000 1.112 565 W HN -0.092 nan 8.180 nan 0.000 0.576 566 A N 1.463 123.818 122.820 -0.776 0.000 2.172 566 A HA -0.081 4.245 4.320 0.010 0.000 0.216 566 A C 2.021 179.436 177.584 -0.283 0.000 1.154 566 A CA 1.623 53.312 52.037 -0.580 0.000 0.701 566 A CB -0.800 17.596 19.000 -1.007 0.000 0.789 566 A HN 0.270 nan 8.150 nan 0.000 0.465 567 S N -0.677 114.861 115.700 -0.269 0.000 2.481 567 S HA 0.030 4.506 4.470 0.010 0.000 0.231 567 S C 0.272 174.609 174.600 -0.439 0.000 0.996 567 S CA 0.489 58.490 58.200 -0.332 0.000 0.942 567 S CB -0.246 62.730 63.200 -0.373 0.000 0.768 567 S HN 0.786 nan 8.310 nan 0.000 0.520 568 H N -0.812 118.258 119.070 0.001 0.000 2.821 568 H HA 0.457 5.019 4.556 0.011 0.000 0.373 568 H C 0.614 176.004 175.328 0.104 0.000 1.165 568 H CA -0.514 55.567 56.048 0.056 0.000 1.154 568 H CB 1.503 31.282 29.762 0.028 0.000 1.765 568 H HN -0.118 nan 8.280 nan 0.000 0.549 569 S N 0.514 116.387 115.700 0.287 0.000 2.402 569 S HA 0.022 4.498 4.470 0.010 0.000 0.229 569 S C 0.401 175.097 174.600 0.160 0.000 1.021 569 S CA 0.615 58.973 58.200 0.263 0.000 0.974 569 S CB 0.322 63.785 63.200 0.438 0.000 0.800 569 S HN 0.249 nan 8.310 nan 0.000 0.484 570 V N 2.597 122.531 119.914 0.035 0.000 2.709 570 V HA 0.427 4.553 4.120 0.010 0.000 0.308 570 V C -1.105 174.864 176.094 -0.208 0.000 1.062 570 V CA -0.963 61.193 62.300 -0.241 0.000 0.901 570 V CB 2.055 33.484 31.823 -0.657 0.000 1.003 570 V HN 0.249 nan 8.190 nan 0.000 0.425 571 N N 3.179 121.749 118.700 -0.217 0.000 2.461 571 N HA 0.529 5.275 4.740 0.010 0.000 0.284 571 N C -1.370 174.052 175.510 -0.146 0.000 1.049 571 N CA -0.291 52.675 53.050 -0.141 0.000 0.889 571 N CB 2.679 41.180 38.487 0.024 0.000 1.365 571 N HN 0.347 nan 8.380 nan 0.000 0.499 572 V N 2.119 121.932 119.914 -0.168 0.000 2.417 572 V HA 0.532 4.658 4.120 0.010 0.000 0.291 572 V C 0.295 176.416 176.094 0.045 0.000 1.024 572 V CA -0.764 61.514 62.300 -0.036 0.000 0.861 572 V CB 1.549 33.381 31.823 0.015 0.000 0.985 572 V HN 0.465 nan 8.190 nan 0.000 0.436 573 V N 3.225 123.212 119.914 0.121 0.000 3.040 573 V HA 0.785 4.911 4.120 0.010 0.000 0.312 573 V C -2.921 173.222 176.094 0.081 0.000 1.115 573 V CA -3.012 59.346 62.300 0.096 0.000 0.998 573 V CB 2.178 34.074 31.823 0.121 0.000 1.042 573 V HN 0.620 nan 8.190 nan 0.000 0.433 574 P HA 0.187 nan 4.420 nan 0.000 0.269 574 P C -1.217 176.079 177.300 -0.006 0.000 1.209 574 P CA 0.178 63.302 63.100 0.041 0.000 0.776 574 P CB 0.077 31.791 31.700 0.023 0.000 0.876 575 Y N 2.829 123.090 120.300 -0.065 0.000 2.346 575 Y HA 0.381 4.937 4.550 0.011 0.000 0.330 575 Y C 0.134 175.952 175.900 -0.135 0.000 1.178 575 Y CA 0.400 58.434 58.100 -0.111 0.000 1.331 575 Y CB 0.707 39.118 38.460 -0.082 0.000 1.253 575 Y HN 0.254 nan 8.280 nan 0.000 0.529 576 K N 3.839 123.471 120.400 -1.280 0.000 2.542 576 K HA 0.211 4.538 4.320 0.010 0.000 0.259 576 K C -1.801 174.079 176.600 -1.200 0.000 0.932 576 K CA -0.735 55.015 56.287 -0.895 0.000 0.820 576 K CB 1.186 33.377 32.500 -0.515 0.000 1.345 576 K HN 0.632 nan 8.250 nan 0.000 0.432 577 D N 2.780 122.778 120.400 -0.670 0.000 2.488 577 D HA -0.000 4.646 4.640 0.010 0.000 0.238 577 D C 0.008 176.098 176.300 -0.350 0.000 1.138 577 D CA 1.097 54.878 54.000 -0.365 0.000 0.873 577 D CB 0.416 41.159 40.800 -0.096 0.000 1.183 577 D HN 0.597 nan 8.370 nan 0.000 0.458 578 N N 1.500 120.023 118.700 -0.294 0.000 2.818 578 N HA -0.217 4.529 4.740 0.010 0.000 0.250 578 N C -0.356 174.936 175.510 -0.364 0.000 1.108 578 N CA 0.416 53.295 53.050 -0.285 0.000 0.745 578 N CB -0.759 37.603 38.487 -0.208 0.000 1.104 578 N HN 0.454 nan 8.380 nan 0.000 0.557 579 R N 0.963 121.145 120.500 -0.530 0.000 2.825 579 R HA 0.342 4.688 4.340 0.010 0.000 0.261 579 R C 1.353 177.320 176.300 -0.556 0.000 1.341 579 R CA -0.102 55.526 56.100 -0.786 0.000 1.353 579 R CB 0.280 29.843 30.300 -1.228 0.000 1.191 579 R HN 0.211 nan 8.270 nan 0.000 0.590 580 L N 1.084 122.062 121.223 -0.410 0.000 2.435 580 L HA 0.230 4.576 4.340 0.010 0.000 0.195 580 L C -0.171 176.526 176.870 -0.288 0.000 1.072 580 L CA 0.153 54.673 54.840 -0.533 0.000 0.833 580 L CB 0.037 41.364 42.059 -1.220 0.000 1.081 580 L HN 0.323 nan 8.230 nan 0.000 0.485 581 Y N 1.905 122.358 120.300 0.255 0.000 2.454 581 Y HA 0.253 4.810 4.550 0.011 0.000 0.345 581 Y C -1.540 174.427 175.900 0.112 0.000 0.970 581 Y CA -3.438 54.751 58.100 0.148 0.000 1.204 581 Y CB -0.252 38.191 38.460 -0.028 0.000 1.122 581 Y HN -0.032 nan 8.280 nan 0.000 0.514 582 P HA -0.105 nan 4.420 nan 0.000 0.225 582 P C 0.671 177.883 177.300 -0.147 0.000 1.148 582 P CA 1.114 63.995 63.100 -0.364 0.000 0.779 582 P CB 0.529 31.978 31.700 -0.419 0.000 0.780 583 S N -1.078 114.653 115.700 0.052 0.000 2.568 583 S HA 0.479 4.955 4.470 0.010 0.000 0.232 583 S C 0.780 175.344 174.600 -0.060 0.000 0.975 583 S CA 0.322 58.639 58.200 0.196 0.000 0.949 583 S CB -0.073 63.356 63.200 0.382 0.000 0.829 583 S HN 0.505 nan 8.310 nan 0.000 0.479 584 G N 1.266 109.955 108.800 -0.185 0.000 2.619 584 G HA2 -0.132 3.834 3.960 0.010 0.000 0.686 584 G HA3 -0.132 3.834 3.960 0.010 0.000 0.686 584 G C -0.462 174.363 174.900 -0.125 0.000 1.256 584 G CA -0.445 44.489 45.100 -0.276 0.000 0.826 584 G HN 0.182 nan 8.290 nan 0.000 0.619 585 D N -0.115 120.186 120.400 -0.165 0.000 2.149 585 D HA 0.055 4.702 4.640 0.010 0.000 0.201 585 D C 0.838 176.826 176.300 -0.521 0.000 0.972 585 D CA 1.371 55.215 54.000 -0.259 0.000 0.835 585 D CB 0.018 40.629 40.800 -0.315 0.000 0.966 585 D HN 0.482 nan 8.370 nan 0.000 0.476 586 H N 0.333 119.375 119.070 -0.048 0.000 2.786 586 H HA 0.250 4.811 4.556 0.009 0.000 0.284 586 H C 0.884 176.193 175.328 -0.032 0.000 1.104 586 H CA -0.281 55.751 56.048 -0.027 0.000 1.339 586 H CB 1.468 31.222 29.762 -0.013 0.000 1.427 586 H HN -0.192 nan 8.280 nan 0.000 0.497 587 V N 3.607 123.553 119.914 0.053 0.000 2.488 587 V HA -0.031 4.095 4.120 0.010 0.000 0.246 587 V C -1.616 174.575 176.094 0.160 0.000 1.046 587 V CA 0.553 62.915 62.300 0.104 0.000 1.053 587 V CB -0.948 30.901 31.823 0.045 0.000 0.679 587 V HN 0.452 nan 8.190 nan 0.000 0.458 588 P HA 0.043 nan 4.420 nan 0.000 0.264 588 P C 0.271 177.685 177.300 0.191 0.000 1.183 588 P CA 0.675 63.838 63.100 0.106 0.000 0.763 588 P CB 0.070 31.799 31.700 0.048 0.000 0.807 589 Q N -1.997 117.943 119.800 0.234 0.000 2.406 589 Q HA -0.233 4.113 4.340 0.010 0.000 0.236 589 Q C -0.378 175.888 176.000 0.442 0.000 0.799 589 Q CA 0.546 56.557 55.803 0.346 0.000 1.286 589 Q CB -1.779 27.108 28.738 0.249 0.000 1.615 589 Q HN 0.550 nan 8.270 nan 0.000 0.621 590 W N 1.695 123.069 121.300 0.123 0.000 2.266 590 W HA 0.322 4.989 4.660 0.013 0.000 0.317 590 W C 1.255 177.641 176.519 -0.222 0.000 1.310 590 W CA -0.153 57.193 57.345 0.002 0.000 1.207 590 W CB 0.624 30.074 29.460 -0.016 0.000 1.199 590 W HN 0.103 nan 8.180 nan 0.000 0.544 591 S N 3.550 118.829 115.700 -0.701 0.000 2.453 591 S HA 0.115 4.591 4.470 0.010 0.000 0.231 591 S C 1.565 175.371 174.600 -1.325 0.000 1.005 591 S CA 1.023 58.401 58.200 -1.370 0.000 0.949 591 S CB -0.369 62.308 63.200 -0.872 0.000 0.774 591 S HN 1.698 nan 8.310 nan 0.000 0.510 592 G N 0.522 108.058 108.800 -2.105 0.000 2.195 592 G HA2 -0.154 3.812 3.960 0.010 0.000 0.224 592 G HA3 -0.154 3.812 3.960 0.010 0.000 0.224 592 G C -0.472 173.867 174.900 -0.936 0.000 0.990 592 G CA 0.047 43.962 45.100 -1.975 0.000 0.639 592 G HN 0.562 nan 8.290 nan 0.000 0.514 593 D N 1.271 121.354 120.400 -0.528 0.000 2.225 593 D HA 0.552 5.198 4.640 0.010 0.000 0.248 593 D C 0.699 177.137 176.300 0.231 0.000 1.096 593 D CA 1.467 55.405 54.000 -0.105 0.000 0.863 593 D CB 1.327 42.075 40.800 -0.087 0.000 1.156 593 D HN 1.344 nan 8.370 nan 0.000 0.450 594 G N 0.259 109.178 108.800 0.199 0.000 2.375 594 G HA2 -0.058 3.909 3.960 0.010 0.000 0.663 594 G HA3 -0.058 3.909 3.960 0.010 0.000 0.663 594 G C -1.074 173.926 174.900 0.166 0.000 1.391 594 G CA -0.990 44.238 45.100 0.213 0.000 0.949 594 G HN 0.323 nan 8.290 nan 0.000 0.646 595 V N 2.340 122.287 119.914 0.055 0.000 2.284 595 V HA 0.637 4.763 4.120 0.010 0.000 0.260 595 V C 0.739 176.785 176.094 -0.080 0.000 1.084 595 V CA 0.408 62.706 62.300 -0.004 0.000 0.894 595 V CB -0.233 31.584 31.823 -0.009 0.000 1.119 595 V HN 1.004 nan 8.190 nan 0.000 0.484 596 R N 2.818 123.223 120.500 -0.158 0.000 2.739 596 R HA 0.844 5.190 4.340 0.010 0.000 0.271 596 R C 0.355 176.376 176.300 -0.465 0.000 1.010 596 R CA -0.122 55.788 56.100 -0.316 0.000 0.897 596 R CB 1.469 31.481 30.300 -0.480 0.000 1.236 596 R HN 0.801 nan 8.270 nan 0.000 0.466 597 G N 1.373 109.788 108.800 -0.642 0.000 2.552 597 G HA2 -0.416 3.550 3.960 0.010 0.000 0.265 597 G HA3 -0.416 3.550 3.960 0.010 0.000 0.265 597 G C 0.510 174.288 174.900 -1.871 0.000 1.234 597 G CA 0.650 45.067 45.100 -1.139 0.000 0.944 597 G HN 0.773 nan 8.290 nan 0.000 0.568 598 M N 0.391 119.139 119.600 -1.419 0.000 2.106 598 M HA -0.048 4.438 4.480 0.010 0.000 0.259 598 M C 2.475 178.489 176.300 -0.476 0.000 1.068 598 M CA 2.965 57.730 55.300 -0.892 0.000 1.100 598 M CB -0.559 31.825 32.600 -0.360 0.000 1.351 598 M HN 0.636 nan 8.290 nan 0.000 0.404 599 R N -0.426 119.871 120.500 -0.339 0.000 2.117 599 R HA -0.226 4.121 4.340 0.010 0.000 0.243 599 R C 2.231 178.438 176.300 -0.156 0.000 1.143 599 R CA 2.109 58.108 56.100 -0.167 0.000 0.968 599 R CB -0.373 29.884 30.300 -0.072 0.000 0.863 599 R HN 0.697 nan 8.270 nan 0.000 0.444 600 E N -0.633 119.407 120.200 -0.267 0.000 2.076 600 E HA -0.165 4.191 4.350 0.010 0.000 0.190 600 E C 1.442 178.076 176.600 0.057 0.000 0.979 600 E CA 0.996 57.327 56.400 -0.115 0.000 0.807 600 E CB -0.088 29.540 29.700 -0.120 0.000 0.761 600 E HN 0.390 nan 8.360 nan 0.000 0.454 601 W N 0.845 122.092 121.300 -0.087 0.000 2.363 601 W HA -0.072 4.593 4.660 0.008 0.000 0.296 601 W C 2.112 178.585 176.519 -0.076 0.000 1.212 601 W CA 0.308 57.595 57.345 -0.096 0.000 1.260 601 W CB -0.960 28.415 29.460 -0.142 0.000 1.131 601 W HN 0.164 nan 8.180 nan 0.000 0.530 602 I N -0.066 120.572 120.570 0.113 0.000 2.252 602 I HA -0.095 4.081 4.170 0.010 0.000 0.245 602 I C 2.172 178.305 176.117 0.027 0.000 1.102 602 I CA 1.484 62.807 61.300 0.039 0.000 1.385 602 I CB -1.120 36.870 38.000 -0.016 0.000 1.064 602 I HN 0.111 nan 8.210 nan 0.000 0.414 603 G N 2.260 111.073 108.800 0.020 0.000 2.622 603 G HA2 -0.423 3.544 3.960 0.010 0.000 0.307 603 G HA3 -0.423 3.544 3.960 0.010 0.000 0.307 603 G C 0.438 175.340 174.900 0.004 0.000 1.226 603 G CA 0.668 45.778 45.100 0.016 0.000 0.997 603 G HN 0.536 nan 8.290 nan 0.000 0.551 604 D N 1.320 121.724 120.400 0.007 0.000 2.325 604 D HA 0.395 5.042 4.640 0.010 0.000 0.225 604 D C 1.781 178.081 176.300 -0.001 0.000 1.096 604 D CA 1.061 55.062 54.000 0.002 0.000 0.844 604 D CB -0.452 40.351 40.800 0.006 0.000 0.925 604 D HN 2.154 nan 8.370 nan 0.000 0.513 605 G N 0.466 109.264 108.800 -0.002 0.000 2.175 605 G HA2 -0.375 3.591 3.960 0.010 0.000 0.265 605 G HA3 -0.375 3.591 3.960 0.010 0.000 0.265 605 G C 1.070 175.970 174.900 -0.001 0.000 0.979 605 G CA 0.942 46.035 45.100 -0.011 0.000 0.663 605 G HN 0.745 nan 8.290 nan 0.000 0.533 606 S N -0.838 114.867 115.700 0.009 0.000 2.548 606 S HA 0.313 4.789 4.470 0.010 0.000 0.215 606 S C 0.631 175.245 174.600 0.023 0.000 0.976 606 S CA 0.625 58.835 58.200 0.016 0.000 0.908 606 S CB 0.381 63.590 63.200 0.016 0.000 0.781 606 S HN 0.603 nan 8.310 nan 0.000 0.519 607 E N 2.434 122.649 120.200 0.025 0.000 2.392 607 E HA 0.160 4.516 4.350 0.010 0.000 0.264 607 E C -0.232 176.391 176.600 0.039 0.000 1.024 607 E CA -0.357 56.061 56.400 0.030 0.000 0.903 607 E CB 0.279 29.997 29.700 0.030 0.000 0.963 607 E HN 0.437 nan 8.360 nan 0.000 0.432 608 N N 2.538 121.263 118.700 0.042 0.000 2.492 608 N HA 0.013 4.759 4.740 0.010 0.000 0.262 608 N C -0.030 175.517 175.510 0.061 0.000 1.202 608 N CA 0.240 53.321 53.050 0.052 0.000 0.926 608 N CB 0.398 38.913 38.487 0.046 0.000 1.078 608 N HN 0.546 nan 8.380 nan 0.000 0.454 609 I N -1.785 118.833 120.570 0.079 0.000 3.994 609 I HA 0.416 4.592 4.170 0.010 0.000 0.323 609 I C -0.436 175.732 176.117 0.085 0.000 1.501 609 I CA -0.534 60.821 61.300 0.091 0.000 1.112 609 I CB 0.264 38.336 38.000 0.120 0.000 1.254 609 I HN 0.258 nan 8.210 nan 0.000 0.495 610 D N 2.567 123.008 120.400 0.069 0.000 2.280 610 D HA 0.202 4.849 4.640 0.010 0.000 0.236 610 D C 0.227 176.535 176.300 0.013 0.000 1.082 610 D CA 0.021 54.046 54.000 0.042 0.000 0.834 610 D CB 0.633 41.477 40.800 0.073 0.000 1.100 610 D HN 0.242 nan 8.370 nan 0.000 0.486 611 N N 2.560 121.238 118.700 -0.037 0.000 2.641 611 N HA -0.222 4.524 4.740 0.010 0.000 0.267 611 N C -1.440 174.065 175.510 -0.007 0.000 1.087 611 N CA 1.276 54.306 53.050 -0.033 0.000 0.731 611 N CB -0.911 37.575 38.487 -0.003 0.000 0.886 611 N HN 0.534 nan 8.380 nan 0.000 0.547 612 T N -0.284 114.266 114.554 -0.007 0.000 2.653 612 T HA 0.293 4.649 4.350 0.010 0.000 0.306 612 T C -1.945 172.762 174.700 0.012 0.000 1.426 612 T CA -0.580 61.526 62.100 0.011 0.000 1.008 612 T CB 0.651 69.536 68.868 0.029 0.000 1.692 612 T HN 0.079 nan 8.240 nan 0.000 0.483 613 D N 2.300 122.715 120.400 0.025 0.000 2.316 613 D HA 0.489 5.135 4.640 0.010 0.000 0.245 613 D C 0.282 176.639 176.300 0.094 0.000 1.171 613 D CA 0.030 54.041 54.000 0.018 0.000 0.856 613 D CB 0.400 41.194 40.800 -0.010 0.000 1.090 613 D HN 0.621 nan 8.370 nan 0.000 0.476 614 I N -1.807 118.819 120.570 0.093 0.000 3.264 614 I HA 0.625 4.801 4.170 0.010 0.000 0.309 614 I C -1.041 175.182 176.117 0.178 0.000 1.099 614 I CA -1.161 60.225 61.300 0.144 0.000 0.989 614 I CB 1.841 39.926 38.000 0.142 0.000 1.250 614 I HN 0.009 nan 8.210 nan 0.000 0.478 615 L N 1.933 123.278 121.223 0.203 0.000 2.436 615 L HA 0.471 4.817 4.340 0.010 0.000 0.268 615 L C -1.629 175.425 176.870 0.307 0.000 0.974 615 L CA -0.391 54.578 54.840 0.215 0.000 0.826 615 L CB 2.479 44.685 42.059 0.246 0.000 1.291 615 L HN 0.522 nan 8.230 nan 0.000 0.406 616 F N 3.748 123.721 119.950 0.038 0.000 2.382 616 F HA 0.538 5.071 4.527 0.010 0.000 0.361 616 F C -1.040 174.764 175.800 0.007 0.000 1.109 616 F CA -0.697 57.354 58.000 0.085 0.000 1.031 616 F CB 0.734 39.747 39.000 0.023 0.000 1.234 616 F HN 0.105 nan 8.300 nan 0.000 0.445 617 F N 5.416 125.426 119.950 0.100 0.000 2.385 617 F HA 0.268 4.801 4.527 0.010 0.000 0.360 617 F C -0.123 175.787 175.800 0.183 0.000 1.122 617 F CA -0.667 57.431 58.000 0.165 0.000 1.090 617 F CB 0.562 39.645 39.000 0.138 0.000 1.150 617 F HN 0.421 nan 8.300 nan 0.000 0.472 618 H N 1.716 120.977 119.070 0.318 0.000 2.488 618 H HA 0.464 5.026 4.556 0.010 0.000 0.322 618 H C -0.754 174.806 175.328 0.387 0.000 1.078 618 H CA -0.592 55.622 56.048 0.276 0.000 1.260 618 H CB 1.076 31.007 29.762 0.281 0.000 1.425 618 H HN 0.503 nan 8.280 nan 0.000 0.471 619 T N 7.503 122.051 114.554 -0.010 0.000 2.767 619 T HA 0.433 4.789 4.350 0.010 0.000 0.288 619 T C -0.876 173.749 174.700 -0.124 0.000 0.963 619 T CA -0.347 61.804 62.100 0.086 0.000 1.019 619 T CB -0.242 68.777 68.868 0.253 0.000 0.923 619 T HN 0.502 nan 8.240 nan 0.000 0.468 620 F N 0.160 120.030 119.950 -0.134 0.000 2.685 620 F HA 0.948 5.481 4.527 0.010 0.000 0.315 620 F C 0.074 176.007 175.800 0.223 0.000 1.126 620 F CA -0.838 57.135 58.000 -0.045 0.000 0.950 620 F CB 1.111 40.030 39.000 -0.135 0.000 1.360 620 F HN 0.874 nan 8.300 nan 0.000 0.469 621 G N 0.550 109.458 108.800 0.179 0.000 2.441 621 G HA2 0.481 4.447 3.960 0.010 0.000 0.222 621 G HA3 0.481 4.447 3.960 0.010 0.000 0.222 621 G C -1.948 173.073 174.900 0.201 0.000 1.254 621 G CA -0.195 45.031 45.100 0.209 0.000 0.959 621 G HN 1.567 nan 8.290 nan 0.000 0.474 622 I N -3.176 117.507 120.570 0.189 0.000 3.195 622 I HA 0.837 5.013 4.170 0.010 0.000 0.313 622 I C -0.810 175.336 176.117 0.048 0.000 1.237 622 I CA -1.009 60.358 61.300 0.112 0.000 0.963 622 I CB 2.188 40.238 38.000 0.083 0.000 1.278 622 I HN 0.443 nan 8.210 nan 0.000 0.460 623 T N 0.998 115.533 114.554 -0.032 0.000 2.809 623 T HA 0.325 4.682 4.350 0.010 0.000 0.296 623 T C -0.936 173.583 174.700 -0.301 0.000 1.015 623 T CA -0.133 61.841 62.100 -0.210 0.000 0.954 623 T CB -0.087 68.661 68.868 -0.200 0.000 0.950 623 T HN 0.628 nan 8.240 nan 0.000 0.450 624 H N 3.052 121.767 119.070 -0.591 0.000 2.652 624 H HA 0.390 4.953 4.556 0.010 0.000 0.298 624 H C -1.075 173.860 175.328 -0.654 0.000 1.076 624 H CA -0.955 54.757 56.048 -0.560 0.000 1.360 624 H CB 0.302 29.666 29.762 -0.663 0.000 1.421 624 H HN 0.410 nan 8.280 nan 0.000 0.464 625 F N 6.752 126.809 119.950 0.178 0.000 2.359 625 F HA 0.274 4.807 4.527 0.011 0.000 0.369 625 F C -1.980 173.894 175.800 0.123 0.000 1.084 625 F CA -2.580 55.459 58.000 0.065 0.000 1.096 625 F CB 0.883 39.919 39.000 0.059 0.000 1.335 625 F HN 0.542 nan 8.300 nan 0.000 0.457 626 P HA 0.225 nan 4.420 nan 0.000 0.266 626 P C -0.725 176.668 177.300 0.156 0.000 1.193 626 P CA 0.073 63.226 63.100 0.087 0.000 0.770 626 P CB 0.768 32.449 31.700 -0.032 0.000 0.836 627 A N 4.169 127.092 122.820 0.172 0.000 2.498 627 A HA 0.606 4.932 4.320 0.010 0.000 0.298 627 A C -2.061 175.600 177.584 0.128 0.000 1.075 627 A CA -1.523 50.591 52.037 0.128 0.000 0.714 627 A CB 0.934 20.008 19.000 0.124 0.000 1.299 627 A HN 0.248 nan 8.150 nan 0.000 0.407 628 P HA -0.172 nan 4.420 nan 0.000 0.218 628 P C 0.783 178.184 177.300 0.168 0.000 1.146 628 P CA 1.520 64.705 63.100 0.141 0.000 0.820 628 P CB 0.263 32.032 31.700 0.116 0.000 0.778 629 E N -0.789 119.487 120.200 0.126 0.000 2.331 629 E HA -0.161 4.195 4.350 0.010 0.000 0.199 629 E C 1.209 177.875 176.600 0.109 0.000 1.008 629 E CA 0.955 57.416 56.400 0.101 0.000 0.843 629 E CB -0.614 29.131 29.700 0.074 0.000 0.761 629 E HN 0.321 nan 8.360 nan 0.000 0.507 630 D N -1.069 119.429 120.400 0.162 0.000 2.349 630 D HA 0.014 4.661 4.640 0.010 0.000 0.215 630 D C -0.384 176.044 176.300 0.214 0.000 1.016 630 D CA 0.311 54.416 54.000 0.175 0.000 0.870 630 D CB 0.193 41.150 40.800 0.261 0.000 0.917 630 D HN 0.051 nan 8.370 nan 0.000 0.524 631 F N 0.974 120.935 119.950 0.018 0.000 2.522 631 F HA 0.329 4.862 4.527 0.010 0.000 0.324 631 F C -1.672 174.124 175.800 -0.008 0.000 1.077 631 F CA -2.359 55.640 58.000 -0.002 0.000 0.944 631 F CB 2.085 41.100 39.000 0.026 0.000 1.175 631 F HN -0.291 nan 8.300 nan 0.000 0.468 632 P HA 0.089 nan 4.420 nan 0.000 0.245 632 P C -0.535 176.366 177.300 -0.665 0.000 1.206 632 P CA 0.811 63.118 63.100 -1.323 0.000 0.781 632 P CB 0.965 32.105 31.700 -0.932 0.000 0.994 633 L N 0.928 121.872 121.223 -0.466 0.000 2.438 633 L HA 0.472 4.819 4.340 0.010 0.000 0.270 633 L C -0.433 176.266 176.870 -0.285 0.000 0.972 633 L CA -1.252 53.260 54.840 -0.547 0.000 0.831 633 L CB 2.431 43.928 42.059 -0.936 0.000 1.273 633 L HN -0.136 nan 8.230 nan 0.000 0.405 634 M N 5.125 124.601 119.600 -0.206 0.000 2.233 634 M HA 0.604 5.090 4.480 0.010 0.000 0.355 634 M C -2.551 173.674 176.300 -0.126 0.000 1.191 634 M CA -1.481 53.758 55.300 -0.102 0.000 1.101 634 M CB 1.218 33.811 32.600 -0.012 0.000 1.592 634 M HN 0.212 nan 8.290 nan 0.000 0.461 635 P HA 0.202 nan 4.420 nan 0.000 0.271 635 P C -0.722 176.520 177.300 -0.097 0.000 1.216 635 P CA -0.194 62.852 63.100 -0.090 0.000 0.776 635 P CB 0.606 32.270 31.700 -0.060 0.000 0.881 636 A N 2.583 125.342 122.820 -0.101 0.000 2.584 636 A HA -0.029 4.298 4.320 0.010 0.000 0.239 636 A C 0.400 177.920 177.584 -0.106 0.000 1.043 636 A CA 0.446 52.419 52.037 -0.107 0.000 0.756 636 A CB -0.618 18.332 19.000 -0.082 0.000 0.963 636 A HN 0.605 nan 8.150 nan 0.000 0.511 637 E N 3.698 123.818 120.200 -0.134 0.000 2.158 637 E HA 0.464 4.821 4.350 0.010 0.000 0.271 637 E C -2.573 173.960 176.600 -0.113 0.000 0.911 637 E CA -2.271 54.050 56.400 -0.132 0.000 0.767 637 E CB 1.631 31.216 29.700 -0.191 0.000 1.120 637 E HN 0.527 nan 8.360 nan 0.000 0.405 638 P HA 0.355 nan 4.420 nan 0.000 0.281 638 P C -0.716 176.551 177.300 -0.055 0.000 1.249 638 P CA -0.273 62.783 63.100 -0.073 0.000 0.810 638 P CB 1.286 32.942 31.700 -0.073 0.000 1.008 639 I N 0.068 120.607 120.570 -0.053 0.000 2.692 639 I HA 0.490 4.666 4.170 0.010 0.000 0.293 639 I C -0.146 175.933 176.117 -0.063 0.000 1.200 639 I CA -0.441 60.848 61.300 -0.018 0.000 1.036 639 I CB 2.587 40.599 38.000 0.019 0.000 1.258 639 I HN 0.281 nan 8.210 nan 0.000 0.421 640 T N 6.277 120.784 114.554 -0.079 0.000 2.843 640 T HA 0.801 5.157 4.350 0.010 0.000 0.302 640 T C -1.960 172.609 174.700 -0.219 0.000 1.232 640 T CA -0.551 61.451 62.100 -0.164 0.000 1.009 640 T CB 1.885 70.675 68.868 -0.131 0.000 1.254 640 T HN 0.676 nan 8.240 nan 0.000 0.504 641 L N 2.597 123.649 121.223 -0.285 0.000 2.556 641 L HA 0.807 5.154 4.340 0.010 0.000 0.257 641 L C -2.130 174.612 176.870 -0.214 0.000 0.955 641 L CA -0.982 53.692 54.840 -0.276 0.000 0.850 641 L CB 2.146 43.909 42.059 -0.493 0.000 1.398 641 L HN 0.940 nan 8.230 nan 0.000 0.412 642 M N 3.243 122.763 119.600 -0.133 0.000 2.550 642 M HA 0.649 5.136 4.480 0.010 0.000 0.292 642 M C -2.179 174.107 176.300 -0.024 0.000 1.221 642 M CA -0.581 54.671 55.300 -0.080 0.000 0.873 642 M CB 2.545 35.116 32.600 -0.048 0.000 1.727 642 M HN 0.693 nan 8.290 nan 0.000 0.459 643 L N 4.219 125.470 121.223 0.046 0.000 2.388 643 L HA 0.545 4.891 4.340 0.010 0.000 0.267 643 L C -0.964 176.044 176.870 0.231 0.000 0.995 643 L CA -0.540 54.407 54.840 0.177 0.000 0.864 643 L CB 1.410 43.647 42.059 0.297 0.000 1.216 643 L HN 0.701 nan 8.230 nan 0.000 0.430 644 R N 3.118 123.645 120.500 0.045 0.000 2.540 644 R HA 0.553 4.899 4.340 0.010 0.000 0.287 644 R C -2.636 173.325 176.300 -0.564 0.000 0.980 644 R CA -1.995 54.021 56.100 -0.141 0.000 0.966 644 R CB 0.627 30.882 30.300 -0.074 0.000 1.106 644 R HN 0.177 nan 8.270 nan 0.000 0.480 645 P HA 0.134 nan 4.420 nan 0.000 0.282 645 P C -0.944 176.141 177.300 -0.358 0.000 1.274 645 P CA -0.298 62.153 63.100 -1.082 0.000 0.770 645 P CB 0.862 32.093 31.700 -0.781 0.000 0.867 646 R N 3.398 123.767 120.500 -0.217 0.000 2.435 646 R HA 0.288 4.634 4.340 0.010 0.000 0.308 646 R C 0.544 176.875 176.300 0.052 0.000 0.975 646 R CA -0.669 55.378 56.100 -0.089 0.000 0.867 646 R CB 0.083 30.388 30.300 0.007 0.000 1.171 646 R HN 0.652 nan 8.270 nan 0.000 0.470 647 H N 0.737 119.815 119.070 0.015 0.000 3.428 647 H HA -0.215 4.348 4.556 0.010 0.000 0.204 647 H C 0.751 176.061 175.328 -0.030 0.000 1.078 647 H CA 1.126 57.176 56.048 0.004 0.000 1.183 647 H CB -1.138 28.618 29.762 -0.011 0.000 1.132 647 H HN 0.512 nan 8.280 nan 0.000 0.323 648 F N 0.647 120.504 119.950 -0.156 0.000 2.128 648 F HA 0.121 4.654 4.527 0.010 0.000 0.295 648 F C 1.002 176.508 175.800 -0.489 0.000 1.100 648 F CA 0.943 58.726 58.000 -0.362 0.000 1.260 648 F CB 0.176 38.822 39.000 -0.590 0.000 1.009 648 F HN -0.059 nan 8.300 nan 0.000 0.476 649 F N -0.598 119.385 119.950 0.056 0.000 2.457 649 F HA 0.267 4.801 4.527 0.011 0.000 0.330 649 F C 1.573 177.323 175.800 -0.083 0.000 1.069 649 F CA -0.269 57.710 58.000 -0.035 0.000 1.009 649 F CB 0.663 39.659 39.000 -0.007 0.000 1.276 649 F HN -0.251 nan 8.300 nan 0.000 0.492 650 T N -3.152 111.463 114.554 0.102 0.000 3.069 650 T HA 0.262 4.618 4.350 0.010 0.000 0.252 650 T C -0.177 174.579 174.700 0.095 0.000 1.053 650 T CA 0.099 62.155 62.100 -0.073 0.000 0.964 650 T CB -0.527 68.072 68.868 -0.449 0.000 1.005 650 T HN 0.732 nan 8.240 nan 0.000 0.532 651 E N 0.300 120.565 120.200 0.109 0.000 2.403 651 E HA 0.220 4.576 4.350 0.010 0.000 0.280 651 E C -1.521 175.069 176.600 -0.017 0.000 1.101 651 E CA -1.129 55.309 56.400 0.062 0.000 0.856 651 E CB 0.056 29.793 29.700 0.063 0.000 1.303 651 E HN -0.106 nan 8.360 nan 0.000 0.441 652 N N 2.460 121.115 118.700 -0.074 0.000 2.315 652 N HA -0.020 4.726 4.740 0.010 0.000 0.270 652 N C -1.319 174.085 175.510 -0.177 0.000 1.329 652 N CA -0.995 51.974 53.050 -0.136 0.000 0.860 652 N CB 0.737 39.100 38.487 -0.206 0.000 1.095 652 N HN 0.406 nan 8.380 nan 0.000 0.487 653 P HA 0.033 nan 4.420 nan 0.000 0.233 653 P C 0.657 177.866 177.300 -0.152 0.000 1.167 653 P CA 0.704 63.541 63.100 -0.438 0.000 0.770 653 P CB 0.100 31.093 31.700 -1.178 0.000 0.837 654 G N -0.411 108.384 108.800 -0.009 0.000 3.502 654 G HA2 0.126 4.093 3.960 0.010 0.000 0.267 654 G HA3 0.126 4.093 3.960 0.010 0.000 0.267 654 G C 1.144 176.200 174.900 0.260 0.000 1.090 654 G CA -0.196 44.982 45.100 0.130 0.000 0.795 654 G HN 0.166 nan 8.290 nan 0.000 0.535 655 L N 0.824 122.127 121.223 0.133 0.000 2.362 655 L HA 0.019 4.365 4.340 0.010 0.000 0.219 655 L C 1.774 178.718 176.870 0.123 0.000 1.134 655 L CA 0.902 55.806 54.840 0.106 0.000 0.807 655 L CB 0.051 42.079 42.059 -0.053 0.000 0.927 655 L HN 0.281 nan 8.230 nan 0.000 0.447 656 D N -0.464 120.004 120.400 0.112 0.000 2.342 656 D HA 0.059 4.705 4.640 0.010 0.000 0.221 656 D C 0.552 176.890 176.300 0.064 0.000 1.101 656 D CA -0.068 53.987 54.000 0.092 0.000 0.837 656 D CB -0.096 40.787 40.800 0.138 0.000 0.938 656 D HN 0.178 nan 8.370 nan 0.000 0.508 657 I N 1.386 122.003 120.570 0.079 0.000 2.395 657 I HA 0.020 4.197 4.170 0.010 0.000 0.289 657 I C 0.618 176.759 176.117 0.041 0.000 1.023 657 I CA -0.708 60.610 61.300 0.030 0.000 1.350 657 I CB 1.065 39.068 38.000 0.005 0.000 1.409 657 I HN -0.237 nan 8.210 nan 0.000 0.507 658 Q N 7.104 126.912 119.800 0.014 0.000 2.239 658 Q HA 0.112 4.458 4.340 0.010 0.000 0.286 658 Q C -2.101 173.910 176.000 0.017 0.000 1.102 658 Q CA -1.183 54.629 55.803 0.016 0.000 0.936 658 Q CB 0.076 28.817 28.738 0.004 0.000 1.127 658 Q HN 0.293 nan 8.270 nan 0.000 0.380 659 P HA 0.072 nan 4.420 nan 0.000 0.270 659 P C 0.324 177.642 177.300 0.031 0.000 1.223 659 P CA -0.084 63.040 63.100 0.040 0.000 0.785 659 P CB 0.740 32.480 31.700 0.068 0.000 0.923 660 S N -0.757 114.971 115.700 0.047 0.000 2.414 660 S HA 0.013 4.489 4.470 0.010 0.000 0.227 660 S C 0.077 174.768 174.600 0.152 0.000 1.022 660 S CA 0.950 59.194 58.200 0.073 0.000 0.958 660 S CB -0.402 62.835 63.200 0.062 0.000 0.797 660 S HN 0.605 nan 8.310 nan 0.000 0.493 661 Y N -0.318 119.991 120.300 0.016 0.000 2.552 661 Y HA 0.580 5.136 4.550 0.010 0.000 0.337 661 Y C -1.694 174.226 175.900 0.033 0.000 1.094 661 Y CA -1.060 57.052 58.100 0.021 0.000 1.028 661 Y CB 1.208 39.678 38.460 0.017 0.000 1.321 661 Y HN -0.079 nan 8.280 nan 0.000 0.456 662 A N 6.144 128.472 122.820 -0.820 0.000 2.500 662 A HA 0.625 4.951 4.320 0.010 0.000 0.288 662 A C -1.987 175.285 177.584 -0.520 0.000 1.045 662 A CA -0.395 51.375 52.037 -0.444 0.000 0.830 662 A CB 0.906 19.800 19.000 -0.176 0.000 1.337 662 A HN 0.840 nan 8.150 nan 0.000 0.400 663 M N 2.635 122.054 119.600 -0.301 0.000 2.259 663 M HA 0.564 5.050 4.480 0.010 0.000 0.304 663 M C -0.290 175.983 176.300 -0.045 0.000 1.019 663 M CA 0.149 55.358 55.300 -0.152 0.000 0.922 663 M CB 1.886 34.480 32.600 -0.011 0.000 1.600 663 M HN 0.633 nan 8.290 nan 0.000 0.433 664 T N 2.451 116.978 114.554 -0.044 0.000 2.849 664 T HA 0.209 4.566 4.350 0.010 0.000 0.284 664 T C 1.026 175.719 174.700 -0.010 0.000 1.004 664 T CA -0.158 61.929 62.100 -0.021 0.000 1.021 664 T CB 1.250 70.102 68.868 -0.027 0.000 1.013 664 T HN 0.852 nan 8.240 nan 0.000 0.527 665 T N 1.541 116.089 114.554 -0.011 0.000 2.777 665 T HA -0.110 4.246 4.350 0.010 0.000 0.266 665 T C 2.340 177.030 174.700 -0.017 0.000 1.040 665 T CA 1.710 63.800 62.100 -0.016 0.000 1.141 665 T CB -0.387 68.466 68.868 -0.025 0.000 0.868 665 T HN 0.740 nan 8.240 nan 0.000 0.444 666 S N 1.529 117.219 115.700 -0.017 0.000 2.383 666 S HA -0.075 4.402 4.470 0.010 0.000 0.227 666 S C 1.857 176.449 174.600 -0.013 0.000 1.026 666 S CA 1.000 59.191 58.200 -0.016 0.000 0.981 666 S CB -0.413 62.778 63.200 -0.016 0.000 0.818 666 S HN 0.566 nan 8.310 nan 0.000 0.472 667 E N 1.634 121.825 120.200 -0.015 0.000 2.150 667 E HA 0.012 4.369 4.350 0.010 0.000 0.193 667 E C 2.335 178.934 176.600 -0.003 0.000 0.985 667 E CA 0.934 57.326 56.400 -0.014 0.000 0.814 667 E CB -0.369 29.316 29.700 -0.026 0.000 0.752 667 E HN 0.741 nan 8.360 nan 0.000 0.466 668 A N 1.233 124.054 122.820 0.002 0.000 2.015 668 A HA -0.168 4.159 4.320 0.010 0.000 0.219 668 A C 1.886 179.472 177.584 0.005 0.000 1.163 668 A CA 1.159 53.204 52.037 0.013 0.000 0.646 668 A CB -0.121 18.890 19.000 0.017 0.000 0.806 668 A HN 0.019 nan 8.150 nan 0.000 0.448 669 K N -0.599 119.798 120.400 -0.004 0.000 2.062 669 K HA -0.038 4.288 4.320 0.010 0.000 0.205 669 K C 2.307 178.905 176.600 -0.004 0.000 1.051 669 K CA 1.198 57.481 56.287 -0.008 0.000 0.941 669 K CB -0.153 32.340 32.500 -0.012 0.000 0.719 669 K HN 0.349 nan 8.250 nan 0.000 0.440 670 R N 0.358 120.856 120.500 -0.004 0.000 2.096 670 R HA -0.124 4.222 4.340 0.010 0.000 0.240 670 R C 2.146 178.447 176.300 0.002 0.000 1.139 670 R CA 1.529 57.628 56.100 -0.002 0.000 0.952 670 R CB -0.379 29.919 30.300 -0.004 0.000 0.854 670 R HN 0.184 nan 8.270 nan 0.000 0.436 671 A N 0.627 123.452 122.820 0.007 0.000 2.259 671 A HA 0.061 4.387 4.320 0.010 0.000 0.212 671 A C 0.619 178.209 177.584 0.010 0.000 1.178 671 A CA 0.620 52.665 52.037 0.013 0.000 0.734 671 A CB -0.193 18.822 19.000 0.025 0.000 0.774 671 A HN 0.161 nan 8.150 nan 0.000 0.481 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.126 4.120 0.010 0.000 0.244 672 V CA 0.000 62.301 62.300 0.002 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