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 1a8i_1_A DATA FIRST_RESID 7 DATA SEQUENCE QEKRKQISVR GLAGVENVTE LKKNFNRHLH FTLVKDRNVA TPRDYYFALA DATA SEQUENCE HTVRDHLVGR WIRTQQHYYE KDPKRIYYLS LEFYMGRTLQ NTMVNLALEN DATA SEQUENCE ACDEATYQLG LDMEELEEIE EDAGLGNGGL GRLAACFLDS MATLGLAAYG DATA SEQUENCE YGIRYEFGIF NQKICGGWQM EEADDWLRYG NPWEKARPEF TLPVHFYGRV DATA SEQUENCE EHTSQGAKWV DTQVVLAMPY DTPVPGYRNN VVNTMRLWSA KAPNXXXXXX DATA SEQUENCE XXXXGYIQAV LDRNLAENIS RVLYPNDNFF EGKELRLKQE YFVVAATLQD DATA SEQUENCE IIRRFKSSKF XXXXXXRTNF DAFPDKVAIQ LNDTHPSLAI PELMRVLVDL DATA SEQUENCE ERLDWDKAWE VTVKTCAYTN HTVIPEALER WPVHLLETLL PRHLQIIYEI DATA SEQUENCE NQRFLNRVAA AFPGDVDRLR RMSLVEEGAV KRINMAHLCI AGSHAVNGVA DATA SEQUENCE RIHSEILKKT IFKDFYELEP HKFQNKTNGI TPRRWLVLCN PGLAEIIAER DATA SEQUENCE IGEEYISDLD QLRKLLSYVD DEAFIRDVAK VKQENKLKFA AYLEREYKVH DATA SEQUENCE INPNSLFDVQ VKRIHEYKRQ LLNCLHVITL YNRIKKEPNK FVVPRTVMIG DATA SEQUENCE GKAAPGYHMA KMIIKLITAI GDVVNHDPVV GDRLRVIFLE NYRVSLAEKV DATA SEQUENCE IPAADLSEQI STAGTEASGT GNMXFMLNGA LTIGTMDGAN VEMAEEAGEE DATA SEQUENCE NFFIFGMRVE DVDRLDQRGY NAQEYYDRIP ELRQIIEQLS SGFFSPKQPD DATA SEQUENCE LFKDIVNMLM HHDRFKVFAD YEEYVKCQER VSALYKNPRE WTRMVIRNIA DATA SEQUENCE TSGKFSSDRT IAQYAREIWG VEPSRQRLP 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 175.900 176.000 -0.167 0.000 1.003 7 Q CA 0.000 55.679 55.803 -0.207 0.000 1.022 7 Q CB 0.000 28.451 28.738 -0.478 0.000 1.108 8 E N 1.756 121.877 120.200 -0.132 0.000 2.058 8 E HA -0.173 4.177 4.350 0.001 0.000 0.194 8 E C 1.688 178.250 176.600 -0.064 0.000 0.997 8 E CA 1.628 57.971 56.400 -0.094 0.000 0.801 8 E CB 0.105 29.764 29.700 -0.068 0.000 0.746 8 E HN 0.073 nan 8.360 nan 0.000 0.450 9 K N 1.408 121.778 120.400 -0.049 0.000 2.031 9 K HA -0.091 4.229 4.320 0.001 0.000 0.205 9 K C 1.965 178.545 176.600 -0.034 0.000 1.049 9 K CA 1.233 57.501 56.287 -0.033 0.000 0.939 9 K CB -0.105 32.382 32.500 -0.021 0.000 0.717 9 K HN 0.013 nan 8.250 nan 0.000 0.438 10 R N 0.979 121.454 120.500 -0.041 0.000 2.115 10 R HA -0.199 4.141 4.340 0.001 0.000 0.239 10 R C 2.291 178.565 176.300 -0.043 0.000 1.133 10 R CA 1.805 57.881 56.100 -0.039 0.000 0.935 10 R CB -0.723 29.549 30.300 -0.045 0.000 0.853 10 R HN 0.198 nan 8.270 nan 0.000 0.433 11 K N 1.212 121.573 120.400 -0.065 0.000 2.000 11 K HA -0.253 4.067 4.320 0.001 0.000 0.218 11 K C 2.325 178.903 176.600 -0.037 0.000 1.053 11 K CA 2.149 58.400 56.287 -0.061 0.000 0.946 11 K CB -0.272 32.179 32.500 -0.083 0.000 0.723 11 K HN 0.343 nan 8.250 nan 0.000 0.446 12 Q N 0.386 120.167 119.800 -0.033 0.000 2.197 12 Q HA -0.104 4.236 4.340 0.001 0.000 0.207 12 Q C 0.551 176.546 176.000 -0.008 0.000 0.984 12 Q CA 0.740 56.532 55.803 -0.019 0.000 0.869 12 Q CB -0.220 28.507 28.738 -0.018 0.000 0.906 12 Q HN 0.357 nan 8.270 nan 0.000 0.426 13 I N 2.074 122.640 120.570 -0.007 0.000 2.573 13 I HA -0.098 4.072 4.170 0.001 0.000 0.295 13 I C 1.414 177.537 176.117 0.010 0.000 1.141 13 I CA -0.198 61.105 61.300 0.006 0.000 1.364 13 I CB 0.515 38.519 38.000 0.006 0.000 1.447 13 I HN 0.188 nan 8.210 nan 0.000 0.571 14 S N 4.788 120.498 115.700 0.018 0.000 2.399 14 S HA -0.143 4.328 4.470 0.001 0.000 0.231 14 S C 1.812 176.430 174.600 0.030 0.000 1.022 14 S CA 0.962 59.175 58.200 0.021 0.000 0.983 14 S CB -0.552 62.663 63.200 0.026 0.000 0.803 14 S HN 0.646 nan 8.310 nan 0.000 0.480 15 V N -0.066 119.875 119.914 0.045 0.000 2.867 15 V HA 0.056 4.177 4.120 0.001 0.000 0.260 15 V C 2.159 178.278 176.094 0.040 0.000 1.099 15 V CA 1.367 63.699 62.300 0.054 0.000 1.122 15 V CB -1.146 30.720 31.823 0.070 0.000 0.708 15 V HN 0.392 nan 8.190 nan 0.000 0.490 16 R N 1.295 121.809 120.500 0.023 0.000 2.323 16 R HA 0.386 4.726 4.340 0.001 0.000 0.198 16 R C 1.247 177.546 176.300 -0.002 0.000 0.988 16 R CA 0.579 56.685 56.100 0.010 0.000 1.041 16 R CB -0.322 29.978 30.300 0.001 0.000 0.926 16 R HN 0.802 nan 8.270 nan 0.000 0.476 17 G N 0.702 109.501 108.800 -0.001 0.000 2.615 17 G HA2 -0.255 3.705 3.960 0.001 0.000 0.218 17 G HA3 -0.255 3.705 3.960 0.001 0.000 0.218 17 G C -0.718 174.173 174.900 -0.014 0.000 1.339 17 G CA -0.917 44.175 45.100 -0.014 0.000 0.884 17 G HN 0.098 nan 8.290 nan 0.000 0.559 18 L N 0.151 121.363 121.223 -0.018 0.000 2.331 18 L HA 0.718 5.058 4.340 0.001 0.000 0.275 18 L C 0.885 177.746 176.870 -0.015 0.000 1.022 18 L CA -0.427 54.405 54.840 -0.014 0.000 0.812 18 L CB 2.086 44.137 42.059 -0.013 0.000 1.257 18 L HN 1.188 nan 8.230 nan 0.000 0.435 19 A N 2.060 124.873 122.820 -0.011 0.000 3.000 19 A HA 0.553 4.873 4.320 0.001 0.000 0.315 19 A C 0.556 178.140 177.584 -0.001 0.000 1.434 19 A CA -0.407 51.626 52.037 -0.007 0.000 1.108 19 A CB -0.502 18.495 19.000 -0.005 0.000 1.171 19 A HN 0.789 nan 8.150 nan 0.000 0.524 20 G N 0.225 109.025 108.800 -0.000 0.000 2.432 20 G HA2 0.337 4.297 3.960 0.001 0.000 0.239 20 G HA3 0.337 4.297 3.960 0.001 0.000 0.239 20 G C 1.187 176.094 174.900 0.010 0.000 1.291 20 G CA 0.191 45.294 45.100 0.005 0.000 0.863 20 G HN 1.337 nan 8.290 nan 0.000 0.560 21 V N 0.524 120.444 119.914 0.011 0.000 2.407 21 V HA -0.120 4.000 4.120 0.001 0.000 0.248 21 V C 2.075 178.179 176.094 0.018 0.000 1.055 21 V CA 2.341 64.649 62.300 0.013 0.000 1.049 21 V CB -0.690 31.140 31.823 0.011 0.000 0.662 21 V HN 0.715 nan 8.190 nan 0.000 0.455 22 E N 0.867 121.079 120.200 0.019 0.000 2.152 22 E HA -0.128 4.223 4.350 0.001 0.000 0.192 22 E C 2.165 178.787 176.600 0.037 0.000 0.983 22 E CA 1.207 57.622 56.400 0.025 0.000 0.818 22 E CB -0.308 29.406 29.700 0.024 0.000 0.758 22 E HN 0.664 nan 8.360 nan 0.000 0.467 23 N N 0.341 119.062 118.700 0.037 0.000 2.084 23 N HA -0.140 4.600 4.740 0.001 0.000 0.190 23 N C 1.660 177.198 175.510 0.048 0.000 1.030 23 N CA 0.993 54.073 53.050 0.050 0.000 0.849 23 N CB -0.162 38.345 38.487 0.033 0.000 1.012 23 N HN -0.023 nan 8.380 nan 0.000 0.423 24 V N 0.297 120.229 119.914 0.030 0.000 2.287 24 V HA -0.257 3.863 4.120 0.001 0.000 0.248 24 V C 2.217 178.330 176.094 0.031 0.000 1.053 24 V CA 2.188 64.503 62.300 0.025 0.000 1.027 24 V CB -1.150 30.684 31.823 0.017 0.000 0.646 24 V HN 0.408 nan 8.190 nan 0.000 0.447 25 T N -0.531 114.041 114.554 0.031 0.000 2.684 25 T HA -0.254 4.096 4.350 0.001 0.000 0.267 25 T C 1.930 176.661 174.700 0.051 0.000 1.036 25 T CA 1.942 64.061 62.100 0.032 0.000 1.148 25 T CB -0.247 68.637 68.868 0.026 0.000 0.863 25 T HN 0.531 nan 8.240 nan 0.000 0.436 26 E N 1.052 121.291 120.200 0.065 0.000 2.051 26 E HA -0.046 4.304 4.350 0.001 0.000 0.192 26 E C 2.070 178.745 176.600 0.124 0.000 0.991 26 E CA 1.005 57.458 56.400 0.088 0.000 0.799 26 E CB -0.605 29.152 29.700 0.095 0.000 0.748 26 E HN 0.459 nan 8.360 nan 0.000 0.449 27 L N 0.279 121.582 121.223 0.133 0.000 2.043 27 L HA -0.237 4.103 4.340 0.001 0.000 0.212 27 L C 2.518 179.485 176.870 0.161 0.000 1.075 27 L CA 1.757 56.694 54.840 0.162 0.000 0.752 27 L CB -0.421 41.702 42.059 0.108 0.000 0.891 27 L HN 0.091 nan 8.230 nan 0.000 0.432 28 K N -0.106 120.350 120.400 0.093 0.000 2.026 28 K HA -0.220 4.100 4.320 0.001 0.000 0.208 28 K C 2.223 178.910 176.600 0.145 0.000 1.048 28 K CA 1.283 57.616 56.287 0.075 0.000 0.929 28 K CB -0.166 32.338 32.500 0.006 0.000 0.713 28 K HN 0.158 nan 8.250 nan 0.000 0.439 29 K N 1.044 121.513 120.400 0.115 0.000 2.032 29 K HA -0.179 4.141 4.320 0.001 0.000 0.209 29 K C 1.667 178.352 176.600 0.142 0.000 1.048 29 K CA 1.534 57.886 56.287 0.108 0.000 0.927 29 K CB -0.050 32.494 32.500 0.074 0.000 0.712 29 K HN 0.115 nan 8.250 nan 0.000 0.441 30 N N 0.308 119.106 118.700 0.163 0.000 2.244 30 N HA -0.144 4.596 4.740 0.001 0.000 0.183 30 N C 1.667 177.343 175.510 0.277 0.000 1.016 30 N CA 0.825 53.978 53.050 0.172 0.000 0.866 30 N CB -0.370 38.234 38.487 0.196 0.000 0.980 30 N HN 0.178 nan 8.380 nan 0.000 0.430 31 F N 2.736 122.784 119.950 0.164 0.000 2.069 31 F HA -0.142 4.386 4.527 0.001 0.000 0.298 31 F C 1.988 177.891 175.800 0.171 0.000 1.113 31 F CA 1.417 59.526 58.000 0.182 0.000 1.214 31 F CB -0.344 38.732 39.000 0.126 0.000 0.978 31 F HN -0.019 nan 8.300 nan 0.000 0.474 32 N N 0.443 119.386 118.700 0.404 0.000 2.166 32 N HA -0.196 4.544 4.740 0.001 0.000 0.186 32 N C 2.094 177.685 175.510 0.136 0.000 1.019 32 N CA 1.263 54.464 53.050 0.251 0.000 0.856 32 N CB -0.587 38.015 38.487 0.192 0.000 0.993 32 N HN 0.383 nan 8.380 nan 0.000 0.426 33 R N 0.354 120.931 120.500 0.128 0.000 2.073 33 R HA -0.118 4.223 4.340 0.001 0.000 0.234 33 R C 1.847 178.214 176.300 0.112 0.000 1.134 33 R CA 1.535 57.723 56.100 0.146 0.000 0.952 33 R CB -0.252 30.091 30.300 0.073 0.000 0.850 33 R HN 0.386 nan 8.270 nan 0.000 0.433 34 H N -0.329 118.800 119.070 0.098 0.000 2.387 34 H HA -0.133 4.423 4.556 0.000 0.000 0.299 34 H C 1.910 177.204 175.328 -0.057 0.000 1.090 34 H CA 1.487 57.535 56.048 0.002 0.000 1.332 34 H CB 0.039 29.777 29.762 -0.039 0.000 1.386 34 H HN 0.132 nan 8.280 nan 0.000 0.516 35 L N -0.043 121.194 121.223 0.023 0.000 2.042 35 L HA -0.214 4.126 4.340 0.001 0.000 0.210 35 L C 2.192 179.060 176.870 -0.004 0.000 1.076 35 L CA 1.909 56.732 54.840 -0.029 0.000 0.749 35 L CB -0.431 41.618 42.059 -0.017 0.000 0.893 35 L HN 0.308 nan 8.230 nan 0.000 0.432 36 H N -1.778 117.213 119.070 -0.130 0.000 2.266 36 H HA -0.048 4.508 4.556 0.000 0.000 0.308 36 H C 1.836 176.976 175.328 -0.314 0.000 1.057 36 H CA 2.229 58.103 56.048 -0.291 0.000 1.330 36 H CB -0.329 29.132 29.762 -0.501 0.000 1.400 36 H HN 0.273 nan 8.280 nan 0.000 0.503 37 F N -0.160 119.783 119.950 -0.011 0.000 2.163 37 F HA -0.071 4.457 4.527 0.000 0.000 0.297 37 F C 2.675 178.406 175.800 -0.115 0.000 1.094 37 F CA 1.523 59.463 58.000 -0.101 0.000 1.290 37 F CB -0.612 38.360 39.000 -0.048 0.000 1.017 37 F HN 0.183 nan 8.300 nan 0.000 0.483 38 T N 0.315 114.921 114.554 0.087 0.000 2.770 38 T HA -0.005 4.346 4.350 0.001 0.000 0.258 38 T C 2.088 176.721 174.700 -0.112 0.000 1.039 38 T CA 1.027 63.102 62.100 -0.041 0.000 1.143 38 T CB -0.419 68.393 68.868 -0.092 0.000 0.866 38 T HN 0.115 nan 8.240 nan 0.000 0.428 39 L N 1.011 122.171 121.223 -0.104 0.000 2.341 39 L HA 0.155 4.495 4.340 0.001 0.000 0.214 39 L C 0.595 177.393 176.870 -0.121 0.000 1.115 39 L CA 0.040 54.811 54.840 -0.115 0.000 0.820 39 L CB -0.229 41.776 42.059 -0.089 0.000 0.944 39 L HN 0.017 nan 8.230 nan 0.000 0.452 40 V N 0.309 120.134 119.914 -0.148 0.000 6.110 40 V HA -0.256 3.864 4.120 0.001 0.000 0.322 40 V C 0.052 176.061 176.094 -0.142 0.000 0.518 40 V CA 1.071 63.258 62.300 -0.188 0.000 0.655 40 V CB -2.082 29.649 31.823 -0.154 0.000 0.283 40 V HN 0.397 nan 8.190 nan 0.000 0.990 41 K N 1.134 121.463 120.400 -0.119 0.000 2.378 41 K HA 0.802 5.122 4.320 0.001 0.000 0.244 41 K C -0.463 176.121 176.600 -0.027 0.000 1.039 41 K CA -0.393 55.848 56.287 -0.076 0.000 0.863 41 K CB 2.681 35.132 32.500 -0.083 0.000 1.326 41 K HN 0.577 nan 8.250 nan 0.000 0.460 42 D N -0.529 119.868 120.400 -0.004 0.000 2.661 42 D HA 0.240 4.881 4.640 0.001 0.000 0.228 42 D C 0.335 176.671 176.300 0.060 0.000 1.210 42 D CA -0.497 53.530 54.000 0.045 0.000 0.826 42 D CB 1.346 42.170 40.800 0.040 0.000 1.542 42 D HN 0.226 nan 8.370 nan 0.000 0.447 43 R N 0.864 121.429 120.500 0.109 0.000 2.211 43 R HA -0.163 4.177 4.340 0.001 0.000 0.240 43 R C 1.348 177.720 176.300 0.119 0.000 1.144 43 R CA 1.041 57.241 56.100 0.167 0.000 0.992 43 R CB -0.783 29.622 30.300 0.175 0.000 0.869 43 R HN 0.521 nan 8.270 nan 0.000 0.462 44 N N 0.984 119.725 118.700 0.069 0.000 2.216 44 N HA -0.112 4.628 4.740 0.001 0.000 0.183 44 N C 1.636 177.168 175.510 0.036 0.000 1.017 44 N CA 1.413 54.494 53.050 0.051 0.000 0.861 44 N CB 0.189 38.696 38.487 0.033 0.000 0.986 44 N HN 0.179 nan 8.380 nan 0.000 0.428 45 V N -2.699 117.223 119.914 0.014 0.000 3.590 45 V HA 0.531 4.651 4.120 0.001 0.000 0.265 45 V C 0.878 176.944 176.094 -0.046 0.000 1.239 45 V CA 0.013 62.308 62.300 -0.009 0.000 1.117 45 V CB -0.927 30.885 31.823 -0.019 0.000 0.818 45 V HN 0.271 nan 8.190 nan 0.000 0.451 46 A N 2.401 125.173 122.820 -0.080 0.000 2.520 46 A HA 0.500 4.821 4.320 0.001 0.000 0.245 46 A C 0.808 178.219 177.584 -0.289 0.000 1.072 46 A CA 0.786 52.661 52.037 -0.269 0.000 0.761 46 A CB -0.304 18.391 19.000 -0.508 0.000 1.004 46 A HN 0.816 nan 8.150 nan 0.000 0.499 47 T N 0.358 114.742 114.554 -0.283 0.000 2.897 47 T HA 0.552 4.903 4.350 0.001 0.000 0.278 47 T C -2.026 172.581 174.700 -0.156 0.000 0.981 47 T CA -1.656 60.360 62.100 -0.141 0.000 0.973 47 T CB 1.036 69.866 68.868 -0.063 0.000 1.092 47 T HN 0.263 nan 8.240 nan 0.000 0.543 48 P HA -0.061 nan 4.420 nan 0.000 0.216 48 P C 1.647 179.038 177.300 0.151 0.000 1.150 48 P CA 0.889 64.111 63.100 0.204 0.000 0.837 48 P CB 0.041 31.833 31.700 0.153 0.000 0.786 49 R N 0.044 120.583 120.500 0.064 0.000 2.081 49 R HA -0.147 4.194 4.340 0.001 0.000 0.235 49 R C 1.638 178.068 176.300 0.216 0.000 1.131 49 R CA 1.808 57.974 56.100 0.110 0.000 0.960 49 R CB -0.670 29.627 30.300 -0.005 0.000 0.856 49 R HN 0.098 nan 8.270 nan 0.000 0.436 50 D N -0.349 120.072 120.400 0.035 0.000 2.117 50 D HA -0.188 4.452 4.640 0.001 0.000 0.197 50 D C 1.768 178.064 176.300 -0.005 0.000 0.987 50 D CA 1.299 55.286 54.000 -0.020 0.000 0.829 50 D CB -0.332 40.314 40.800 -0.257 0.000 0.961 50 D HN 0.304 nan 8.370 nan 0.000 0.460 51 Y N 0.036 120.425 120.300 0.148 0.000 2.224 51 Y HA -0.195 4.356 4.550 0.001 0.000 0.289 51 Y C 2.310 178.305 175.900 0.159 0.000 1.146 51 Y CA 0.256 58.475 58.100 0.199 0.000 1.182 51 Y CB -1.155 37.518 38.460 0.356 0.000 0.983 51 Y HN 0.097 nan 8.280 nan 0.000 0.524 52 Y N -0.454 119.959 120.300 0.188 0.000 2.128 52 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 52 Y C 1.976 177.793 175.900 -0.138 0.000 1.154 52 Y CA 1.361 59.462 58.100 0.002 0.000 1.149 52 Y CB -1.111 37.255 38.460 -0.157 0.000 0.976 52 Y HN 0.018 nan 8.280 nan 0.000 0.505 53 F N 0.388 120.121 119.950 -0.362 0.000 2.171 53 F HA -0.148 4.379 4.527 0.001 0.000 0.300 53 F C 2.644 178.224 175.800 -0.367 0.000 1.090 53 F CA 1.465 59.156 58.000 -0.516 0.000 1.293 53 F CB -1.023 37.877 39.000 -0.167 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N -0.282 122.457 122.820 -0.135 0.000 1.933 54 A HA -0.159 4.162 4.320 0.001 0.000 0.218 54 A C 2.094 179.528 177.584 -0.251 0.000 1.175 54 A CA 1.517 53.371 52.037 -0.305 0.000 0.628 54 A CB -1.006 17.473 19.000 -0.867 0.000 0.814 54 A HN 0.342 nan 8.150 nan 0.000 0.444 55 L N -0.184 120.964 121.223 -0.125 0.000 2.027 55 L HA -0.024 4.316 4.340 0.001 0.000 0.206 55 L C 2.668 179.491 176.870 -0.078 0.000 1.074 55 L CA 2.235 57.145 54.840 0.117 0.000 0.745 55 L CB -0.930 41.282 42.059 0.256 0.000 0.898 55 L HN 0.330 nan 8.230 nan 0.000 0.433 56 A N -1.252 121.314 122.820 -0.423 0.000 1.908 56 A HA -0.287 4.033 4.320 0.001 0.000 0.218 56 A C 2.141 179.369 177.584 -0.594 0.000 1.181 56 A CA 2.074 53.768 52.037 -0.572 0.000 0.627 56 A CB -1.147 17.156 19.000 -1.162 0.000 0.818 56 A HN 0.717 nan 8.150 nan 0.000 0.445 57 H N -1.201 117.567 119.070 -0.503 0.000 2.389 57 H HA -0.055 4.501 4.556 0.001 0.000 0.299 57 H C 2.335 177.413 175.328 -0.416 0.000 1.081 57 H CA 1.728 57.399 56.048 -0.627 0.000 1.345 57 H CB -0.047 29.112 29.762 -1.005 0.000 1.393 57 H HN 0.452 nan 8.280 nan 0.000 0.520 58 T N -0.181 114.344 114.554 -0.049 0.000 2.746 58 T HA -0.136 4.215 4.350 0.001 0.000 0.267 58 T C 2.248 177.122 174.700 0.290 0.000 1.039 58 T CA 1.242 63.493 62.100 0.251 0.000 1.142 58 T CB -0.321 68.736 68.868 0.315 0.000 0.866 58 T HN 0.091 nan 8.240 nan 0.000 0.444 59 V N 1.522 121.565 119.914 0.214 0.000 2.358 59 V HA -0.121 3.999 4.120 0.001 0.000 0.246 59 V C 2.660 178.947 176.094 0.321 0.000 1.047 59 V CA 1.492 63.947 62.300 0.259 0.000 1.035 59 V CB -0.590 31.380 31.823 0.245 0.000 0.658 59 V HN 0.362 nan 8.190 nan 0.000 0.452 60 R N 0.197 120.856 120.500 0.266 0.000 2.091 60 R HA -0.218 4.122 4.340 0.001 0.000 0.238 60 R C 1.974 178.406 176.300 0.220 0.000 1.136 60 R CA 2.089 58.347 56.100 0.263 0.000 0.959 60 R CB -0.509 29.816 30.300 0.042 0.000 0.856 60 R HN 0.491 nan 8.270 nan 0.000 0.437 61 D N -0.232 120.285 120.400 0.196 0.000 2.190 61 D HA -0.178 4.462 4.640 0.001 0.000 0.200 61 D C 1.699 178.041 176.300 0.071 0.000 0.992 61 D CA 1.116 55.200 54.000 0.140 0.000 0.854 61 D CB -0.389 40.488 40.800 0.129 0.000 0.936 61 D HN 0.485 nan 8.370 nan 0.000 0.462 62 H N -0.323 118.819 119.070 0.120 0.000 2.524 62 H HA 0.056 4.613 4.556 0.001 0.000 0.282 62 H C 2.132 177.506 175.328 0.077 0.000 1.016 62 H CA 0.339 56.440 56.048 0.087 0.000 1.270 62 H CB 0.352 30.157 29.762 0.071 0.000 1.394 62 H HN 0.200 nan 8.280 nan 0.000 0.568 63 L N 0.024 121.360 121.223 0.189 0.000 2.341 63 L HA -0.081 4.259 4.340 0.001 0.000 0.214 63 L C 2.407 179.389 176.870 0.187 0.000 1.115 63 L CA 0.087 55.002 54.840 0.124 0.000 0.820 63 L CB 0.046 42.140 42.059 0.058 0.000 0.944 63 L HN 0.039 nan 8.230 nan 0.000 0.452 64 V N 0.143 120.185 119.914 0.212 0.000 2.261 64 V HA -0.220 3.901 4.120 0.001 0.000 0.246 64 V C 2.622 178.832 176.094 0.193 0.000 1.047 64 V CA 2.133 64.589 62.300 0.259 0.000 1.015 64 V CB -1.333 30.600 31.823 0.183 0.000 0.642 64 V HN 0.548 nan 8.190 nan 0.000 0.446 65 G N -0.420 108.445 108.800 0.108 0.000 2.418 65 G HA2 -0.240 3.720 3.960 0.001 0.000 0.217 65 G HA3 -0.240 3.720 3.960 0.001 0.000 0.217 65 G C 1.772 176.723 174.900 0.086 0.000 1.158 65 G CA 0.733 45.875 45.100 0.070 0.000 0.771 65 G HN 0.428 nan 8.290 nan 0.000 0.545 66 R N -1.422 119.139 120.500 0.101 0.000 2.115 66 R HA -0.057 4.284 4.340 0.001 0.000 0.230 66 R C 2.201 178.595 176.300 0.156 0.000 1.111 66 R CA 1.050 57.200 56.100 0.083 0.000 0.976 66 R CB -0.293 30.040 30.300 0.055 0.000 0.870 66 R HN 0.489 nan 8.270 nan 0.000 0.445 67 W N 1.260 122.550 121.300 -0.016 0.000 2.379 67 W HA -0.043 4.618 4.660 0.001 0.000 0.307 67 W C 1.613 178.117 176.519 -0.025 0.000 1.200 67 W CA 0.905 58.240 57.345 -0.017 0.000 1.297 67 W CB -0.537 28.931 29.460 0.012 0.000 1.140 67 W HN -0.040 nan 8.180 nan 0.000 0.507 68 I N 0.095 120.727 120.570 0.103 0.000 2.252 68 I HA -0.305 3.865 4.170 0.001 0.000 0.245 68 I C 2.615 178.723 176.117 -0.015 0.000 1.102 68 I CA 1.388 62.662 61.300 -0.043 0.000 1.385 68 I CB -0.596 37.380 38.000 -0.040 0.000 1.064 68 I HN -0.110 nan 8.210 nan 0.000 0.414 69 R N 0.069 120.575 120.500 0.011 0.000 2.075 69 R HA -0.104 4.237 4.340 0.001 0.000 0.232 69 R C 2.366 178.638 176.300 -0.047 0.000 1.126 69 R CA 1.832 57.924 56.100 -0.013 0.000 0.963 69 R CB -0.472 29.816 30.300 -0.021 0.000 0.858 69 R HN 0.333 nan 8.270 nan 0.000 0.435 70 T N 1.217 115.730 114.554 -0.068 0.000 2.652 70 T HA -0.152 4.198 4.350 0.001 0.000 0.267 70 T C 1.791 176.246 174.700 -0.407 0.000 1.039 70 T CA 1.127 63.089 62.100 -0.231 0.000 1.153 70 T CB -0.118 68.658 68.868 -0.152 0.000 0.863 70 T HN 0.214 nan 8.240 nan 0.000 0.428 71 Q N 0.763 120.465 119.800 -0.163 0.000 2.124 71 Q HA -0.104 4.236 4.340 0.001 0.000 0.202 71 Q C 2.328 178.333 176.000 0.009 0.000 0.977 71 Q CA 1.291 57.062 55.803 -0.053 0.000 0.850 71 Q CB -0.475 28.267 28.738 0.007 0.000 0.901 71 Q HN 0.506 nan 8.270 nan 0.000 0.429 72 Q N 0.084 119.887 119.800 0.005 0.000 2.119 72 Q HA -0.177 4.163 4.340 0.001 0.000 0.201 72 Q C 1.919 177.996 176.000 0.129 0.000 0.972 72 Q CA 1.714 57.569 55.803 0.087 0.000 0.847 72 Q CB -0.258 28.516 28.738 0.059 0.000 0.903 72 Q HN 0.542 nan 8.270 nan 0.000 0.433 73 H N -0.874 118.154 119.070 -0.070 0.000 2.321 73 H HA -0.173 4.383 4.556 0.001 0.000 0.300 73 H C 1.156 176.514 175.328 0.049 0.000 1.087 73 H CA 2.281 58.290 56.048 -0.065 0.000 1.319 73 H CB -0.433 29.230 29.762 -0.165 0.000 1.379 73 H HN 0.339 nan 8.280 nan 0.000 0.501 74 Y N -0.649 119.616 120.300 -0.058 0.000 2.128 74 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 74 Y C 2.614 178.503 175.900 -0.018 0.000 1.154 74 Y CA 1.337 59.381 58.100 -0.093 0.000 1.149 74 Y CB -1.588 36.903 38.460 0.051 0.000 0.976 74 Y HN 0.385 nan 8.280 nan 0.000 0.505 75 Y N 0.806 121.170 120.300 0.107 0.000 2.224 75 Y HA -0.185 4.366 4.550 0.000 0.000 0.289 75 Y C 2.128 178.026 175.900 -0.003 0.000 1.146 75 Y CA 1.747 59.874 58.100 0.044 0.000 1.182 75 Y CB -0.304 38.175 38.460 0.032 0.000 0.983 75 Y HN 0.161 nan 8.280 nan 0.000 0.524 76 E N 0.001 120.138 120.200 -0.104 0.000 2.008 76 E HA -0.146 4.204 4.350 0.001 0.000 0.191 76 E C 2.190 178.676 176.600 -0.190 0.000 0.986 76 E CA 1.043 57.329 56.400 -0.189 0.000 0.807 76 E CB -0.133 29.552 29.700 -0.026 0.000 0.766 76 E HN 0.063 nan 8.360 nan 0.000 0.450 77 K N 0.709 121.017 120.400 -0.153 0.000 2.211 77 K HA -0.139 4.181 4.320 0.001 0.000 0.203 77 K C -0.089 176.424 176.600 -0.145 0.000 1.050 77 K CA 0.934 57.128 56.287 -0.155 0.000 0.945 77 K CB -0.219 32.123 32.500 -0.263 0.000 0.732 77 K HN 0.121 nan 8.250 nan 0.000 0.451 78 D N 0.312 120.630 120.400 -0.137 0.000 2.697 78 D HA -0.117 4.523 4.640 0.001 0.000 0.235 78 D C -2.443 173.793 176.300 -0.105 0.000 1.167 78 D CA 0.161 54.086 54.000 -0.125 0.000 0.656 78 D CB -0.147 40.538 40.800 -0.190 0.000 1.025 78 D HN 0.199 nan 8.370 nan 0.000 0.419 79 P HA 0.109 nan 4.420 nan 0.000 0.276 79 P C -0.047 177.195 177.300 -0.096 0.000 1.252 79 P CA -0.532 62.511 63.100 -0.096 0.000 0.802 79 P CB 0.636 32.267 31.700 -0.115 0.000 1.035 80 K N 1.412 121.765 120.400 -0.077 0.000 2.489 80 K HA 0.022 4.342 4.320 0.001 0.000 0.278 80 K C 0.046 176.568 176.600 -0.130 0.000 1.000 80 K CA 0.166 56.409 56.287 -0.073 0.000 1.012 80 K CB 0.236 32.712 32.500 -0.040 0.000 0.903 80 K HN 0.335 nan 8.250 nan 0.000 0.485 81 R N 3.754 124.175 120.500 -0.131 0.000 2.460 81 R HA 0.364 4.704 4.340 0.001 0.000 0.303 81 R C -0.555 175.543 176.300 -0.336 0.000 0.968 81 R CA -0.995 54.964 56.100 -0.235 0.000 0.889 81 R CB 0.994 31.147 30.300 -0.245 0.000 1.123 81 R HN 0.447 nan 8.270 nan 0.000 0.455 82 I N 3.666 123.969 120.570 -0.446 0.000 2.336 82 I HA 0.218 4.388 4.170 0.001 0.000 0.292 82 I C -0.514 175.343 176.117 -0.434 0.000 0.991 82 I CA -1.058 59.921 61.300 -0.535 0.000 1.227 82 I CB 0.618 38.124 38.000 -0.824 0.000 1.366 82 I HN 0.511 nan 8.210 nan 0.000 0.466 83 Y N 6.199 126.468 120.300 -0.052 0.000 2.356 83 Y HA 0.292 4.842 4.550 0.001 0.000 0.334 83 Y C -0.361 175.656 175.900 0.194 0.000 0.958 83 Y CA -0.670 57.515 58.100 0.142 0.000 1.196 83 Y CB 1.224 39.714 38.460 0.050 0.000 1.137 83 Y HN 0.414 nan 8.280 nan 0.000 0.485 84 Y N 4.800 125.271 120.300 0.284 0.000 2.434 84 Y HA 0.534 5.085 4.550 0.001 0.000 0.341 84 Y C -1.507 174.654 175.900 0.434 0.000 0.965 84 Y CA -1.262 57.013 58.100 0.292 0.000 1.205 84 Y CB 0.302 38.920 38.460 0.264 0.000 1.121 84 Y HN 0.522 nan 8.280 nan 0.000 0.507 85 L N 5.026 126.257 121.223 0.014 0.000 2.275 85 L HA 0.567 4.907 4.340 0.001 0.000 0.288 85 L C -0.218 176.594 176.870 -0.098 0.000 1.046 85 L CA -0.000 54.904 54.840 0.106 0.000 0.805 85 L CB 1.545 43.678 42.059 0.123 0.000 1.193 85 L HN 0.613 nan 8.230 nan 0.000 0.426 86 S N 2.645 118.353 115.700 0.015 0.000 2.533 86 S HA 0.446 4.917 4.470 0.001 0.000 0.271 86 S C 0.111 174.728 174.600 0.028 0.000 1.143 86 S CA -0.597 57.501 58.200 -0.170 0.000 0.891 86 S CB 0.967 63.742 63.200 -0.708 0.000 1.105 86 S HN 0.491 nan 8.310 nan 0.000 0.468 87 L N 2.699 124.005 121.223 0.139 0.000 2.591 87 L HA 0.407 4.748 4.340 0.001 0.000 0.228 87 L C 0.203 177.236 176.870 0.271 0.000 1.133 87 L CA 1.122 56.118 54.840 0.261 0.000 0.880 87 L CB -0.863 41.381 42.059 0.309 0.000 1.033 87 L HN 0.714 nan 8.230 nan 0.000 0.450 88 E N -0.972 119.256 120.200 0.047 0.000 2.292 88 E HA 0.368 4.719 4.350 0.001 0.000 0.272 88 E C -1.529 174.938 176.600 -0.221 0.000 0.881 88 E CA -0.436 55.994 56.400 0.051 0.000 0.754 88 E CB 2.158 31.878 29.700 0.034 0.000 1.201 88 E HN -0.173 nan 8.360 nan 0.000 0.425 89 F N 2.225 122.282 119.950 0.179 0.000 2.771 89 F HA 0.170 4.697 4.527 0.000 0.000 0.365 89 F C -0.838 175.051 175.800 0.148 0.000 1.169 89 F CA -0.711 57.387 58.000 0.163 0.000 1.093 89 F CB 0.883 39.971 39.000 0.147 0.000 1.363 89 F HN 0.481 nan 8.300 nan 0.000 0.496 90 Y N 5.208 125.589 120.300 0.135 0.000 2.636 90 Y HA 0.216 4.767 4.550 0.001 0.000 0.334 90 Y C 1.007 176.936 175.900 0.047 0.000 1.286 90 Y CA -1.012 57.116 58.100 0.047 0.000 1.688 90 Y CB 0.303 38.771 38.460 0.013 0.000 1.662 90 Y HN 0.524 nan 8.280 nan 0.000 0.465 91 M N 1.637 121.412 119.600 0.292 0.000 2.319 91 M HA 0.090 4.571 4.480 0.001 0.000 0.265 91 M C 1.485 177.809 176.300 0.040 0.000 1.068 91 M CA 1.109 56.483 55.300 0.123 0.000 1.118 91 M CB -1.297 31.338 32.600 0.059 0.000 1.395 91 M HN 0.706 nan 8.290 nan 0.000 0.435 92 G N 1.067 109.929 108.800 0.102 0.000 2.593 92 G HA2 -0.260 3.700 3.960 0.001 0.000 0.237 92 G HA3 -0.260 3.700 3.960 0.001 0.000 0.237 92 G C -0.389 174.496 174.900 -0.025 0.000 1.312 92 G CA -0.458 44.638 45.100 -0.008 0.000 0.896 92 G HN 0.442 nan 8.290 nan 0.000 0.574 93 R N -0.894 119.562 120.500 -0.074 0.000 2.531 93 R HA 0.601 4.941 4.340 0.001 0.000 0.273 93 R C 0.989 177.184 176.300 -0.175 0.000 1.070 93 R CA 0.268 56.329 56.100 -0.065 0.000 1.112 93 R CB 0.803 31.066 30.300 -0.061 0.000 1.049 93 R HN 0.509 nan 8.270 nan 0.000 0.508 94 T N 1.133 115.525 114.554 -0.271 0.000 2.959 94 T HA -0.002 4.348 4.350 0.001 0.000 0.254 94 T C 1.370 175.699 174.700 -0.618 0.000 1.003 94 T CA -0.172 61.565 62.100 -0.604 0.000 0.950 94 T CB 0.172 68.269 68.868 -1.284 0.000 1.090 94 T HN 0.338 nan 8.240 nan 0.000 0.503 95 L N 2.007 123.084 121.223 -0.242 0.000 1.989 95 L HA -0.018 4.322 4.340 0.001 0.000 0.211 95 L C 2.417 179.242 176.870 -0.075 0.000 1.071 95 L CA 2.019 56.854 54.840 -0.009 0.000 0.749 95 L CB -0.670 41.608 42.059 0.365 0.000 0.890 95 L HN 0.173 nan 8.230 nan 0.000 0.431 96 Q N -0.667 119.094 119.800 -0.065 0.000 2.124 96 Q HA -0.254 4.086 4.340 0.001 0.000 0.202 96 Q C 2.209 178.138 176.000 -0.118 0.000 0.977 96 Q CA 1.823 57.583 55.803 -0.072 0.000 0.850 96 Q CB -0.330 28.366 28.738 -0.070 0.000 0.901 96 Q HN 0.742 nan 8.270 nan 0.000 0.429 97 N N -0.967 117.625 118.700 -0.181 0.000 2.166 97 N HA -0.144 4.597 4.740 0.001 0.000 0.186 97 N C 1.360 176.766 175.510 -0.173 0.000 1.019 97 N CA 1.749 54.687 53.050 -0.187 0.000 0.856 97 N CB 0.078 38.422 38.487 -0.238 0.000 0.993 97 N HN 0.208 nan 8.380 nan 0.000 0.426 98 T N 1.183 115.595 114.554 -0.237 0.000 2.737 98 T HA -0.043 4.307 4.350 0.001 0.000 0.265 98 T C 2.049 176.685 174.700 -0.107 0.000 1.038 98 T CA 1.082 63.060 62.100 -0.204 0.000 1.144 98 T CB -0.073 68.627 68.868 -0.280 0.000 0.866 98 T HN 0.259 nan 8.240 nan 0.000 0.434 99 M N 0.562 120.113 119.600 -0.082 0.000 2.175 99 M HA -0.064 4.416 4.480 0.001 0.000 0.264 99 M C 2.433 178.701 176.300 -0.054 0.000 1.063 99 M CA 1.073 56.339 55.300 -0.057 0.000 1.119 99 M CB -0.506 32.075 32.600 -0.032 0.000 1.377 99 M HN 0.096 nan 8.290 nan 0.000 0.415 100 V N 0.876 120.766 119.914 -0.040 0.000 2.295 100 V HA -0.270 3.851 4.120 0.001 0.000 0.246 100 V C 2.012 178.122 176.094 0.027 0.000 1.049 100 V CA 1.719 64.026 62.300 0.013 0.000 1.024 100 V CB -0.806 31.033 31.823 0.027 0.000 0.648 100 V HN 0.503 nan 8.190 nan 0.000 0.447 101 N N -0.037 118.665 118.700 0.003 0.000 2.309 101 N HA -0.019 4.721 4.740 0.001 0.000 0.182 101 N C 1.554 176.968 175.510 -0.160 0.000 1.018 101 N CA 1.111 54.141 53.050 -0.033 0.000 0.876 101 N CB -0.003 38.473 38.487 -0.019 0.000 0.972 101 N HN 0.417 nan 8.380 nan 0.000 0.434 102 L N 0.227 121.380 121.223 -0.118 0.000 2.607 102 L HA 0.258 4.598 4.340 0.001 0.000 0.228 102 L C 0.631 177.424 176.870 -0.129 0.000 1.123 102 L CA -0.079 54.693 54.840 -0.114 0.000 0.890 102 L CB 0.003 42.021 42.059 -0.067 0.000 1.103 102 L HN -0.032 nan 8.230 nan 0.000 0.468 103 A N 0.482 123.221 122.820 -0.135 0.000 2.914 103 A HA -0.189 4.132 4.320 0.001 0.000 0.280 103 A C 0.765 178.296 177.584 -0.088 0.000 1.447 103 A CA 0.703 52.673 52.037 -0.112 0.000 0.759 103 A CB -2.036 16.883 19.000 -0.135 0.000 1.034 103 A HN 0.402 nan 8.150 nan 0.000 0.529 104 L N -1.384 119.785 121.223 -0.090 0.000 2.766 104 L HA 0.173 4.513 4.340 0.001 0.000 0.242 104 L C 1.925 178.757 176.870 -0.063 0.000 1.136 104 L CA 0.688 55.467 54.840 -0.101 0.000 0.933 104 L CB 0.106 42.068 42.059 -0.162 0.000 1.241 104 L HN 0.663 nan 8.230 nan 0.000 0.522 105 E N 1.261 121.435 120.200 -0.043 0.000 2.031 105 E HA -0.235 4.116 4.350 0.001 0.000 0.193 105 E C 1.576 178.164 176.600 -0.019 0.000 0.994 105 E CA 1.824 58.209 56.400 -0.024 0.000 0.800 105 E CB 0.121 29.811 29.700 -0.016 0.000 0.752 105 E HN 0.519 nan 8.360 nan 0.000 0.447 106 N N -0.356 118.332 118.700 -0.021 0.000 2.244 106 N HA -0.130 4.610 4.740 0.001 0.000 0.183 106 N C 1.710 177.209 175.510 -0.017 0.000 1.016 106 N CA 0.715 53.753 53.050 -0.019 0.000 0.866 106 N CB -0.062 38.413 38.487 -0.019 0.000 0.980 106 N HN 0.159 nan 8.380 nan 0.000 0.430 107 A N 0.454 123.261 122.820 -0.022 0.000 1.873 107 A HA -0.141 4.179 4.320 0.001 0.000 0.215 107 A C 2.351 179.929 177.584 -0.010 0.000 1.186 107 A CA 1.013 53.040 52.037 -0.018 0.000 0.616 107 A CB -0.886 18.096 19.000 -0.030 0.000 0.823 107 A HN 0.455 nan 8.150 nan 0.000 0.442 108 C N -0.667 118.624 119.300 -0.015 0.000 2.435 108 C HA -0.061 4.399 4.460 0.001 0.000 0.279 108 C C 2.429 177.423 174.990 0.008 0.000 1.321 108 C CA 1.070 60.090 59.018 0.003 0.000 1.752 108 C CB -1.098 26.652 27.740 0.016 0.000 1.959 108 C HN 0.689 nan 8.230 nan 0.000 0.500 109 D N 0.744 121.148 120.400 0.007 0.000 2.117 109 D HA -0.129 4.511 4.640 0.001 0.000 0.198 109 D C 2.138 178.460 176.300 0.037 0.000 0.982 109 D CA 1.380 55.388 54.000 0.014 0.000 0.828 109 D CB -0.200 40.596 40.800 -0.005 0.000 0.967 109 D HN 0.470 nan 8.370 nan 0.000 0.464 110 E N 0.220 120.437 120.200 0.028 0.000 2.046 110 E HA -0.006 4.344 4.350 0.001 0.000 0.190 110 E C 1.903 178.544 176.600 0.069 0.000 0.982 110 E CA 1.486 57.927 56.400 0.069 0.000 0.800 110 E CB -0.552 29.169 29.700 0.034 0.000 0.756 110 E HN 0.191 nan 8.360 nan 0.000 0.449 111 A N -0.026 122.799 122.820 0.010 0.000 1.883 111 A HA -0.236 4.084 4.320 0.001 0.000 0.217 111 A C 2.487 179.998 177.584 -0.123 0.000 1.186 111 A CA 2.997 55.009 52.037 -0.042 0.000 0.624 111 A CB -1.523 17.459 19.000 -0.030 0.000 0.822 111 A HN 0.511 nan 8.150 nan 0.000 0.444 112 T N -3.457 111.026 114.554 -0.119 0.000 2.867 112 T HA -0.203 4.147 4.350 0.001 0.000 0.268 112 T C 1.825 176.443 174.700 -0.136 0.000 1.057 112 T CA 1.504 63.477 62.100 -0.211 0.000 1.136 112 T CB -0.550 68.241 68.868 -0.129 0.000 0.874 112 T HN 0.504 nan 8.240 nan 0.000 0.466 113 Y N 2.253 122.476 120.300 -0.128 0.000 2.200 113 Y HA -0.048 4.503 4.550 0.001 0.000 0.290 113 Y C 2.564 178.401 175.900 -0.105 0.000 1.137 113 Y CA 1.278 59.320 58.100 -0.098 0.000 1.163 113 Y CB -0.520 37.902 38.460 -0.063 0.000 0.988 113 Y HN 0.221 nan 8.280 nan 0.000 0.518 114 Q N -0.065 119.603 119.800 -0.221 0.000 2.291 114 Q HA -0.122 4.218 4.340 0.001 0.000 0.206 114 Q C 1.874 177.704 176.000 -0.284 0.000 0.976 114 Q CA 1.382 57.020 55.803 -0.275 0.000 0.875 114 Q CB -0.131 28.541 28.738 -0.110 0.000 0.927 114 Q HN 0.524 nan 8.270 nan 0.000 0.450 115 L N -0.813 120.232 121.223 -0.296 0.000 2.599 115 L HA 0.124 4.465 4.340 0.001 0.000 0.230 115 L C 1.051 177.733 176.870 -0.314 0.000 1.141 115 L CA 0.395 55.045 54.840 -0.317 0.000 0.877 115 L CB -0.048 41.727 42.059 -0.474 0.000 1.009 115 L HN 0.391 nan 8.230 nan 0.000 0.447 116 G N 0.468 109.072 108.800 -0.326 0.000 2.132 116 G HA2 -0.248 3.713 3.960 0.001 0.000 0.234 116 G HA3 -0.248 3.713 3.960 0.001 0.000 0.234 116 G C -0.033 174.743 174.900 -0.206 0.000 0.989 116 G CA -0.117 44.825 45.100 -0.263 0.000 0.676 116 G HN 0.234 nan 8.290 nan 0.000 0.522 117 L N -0.071 121.024 121.223 -0.213 0.000 2.319 117 L HA 0.648 4.989 4.340 0.001 0.000 0.267 117 L C -0.579 176.276 176.870 -0.025 0.000 1.011 117 L CA -1.145 53.611 54.840 -0.140 0.000 0.818 117 L CB 1.784 43.700 42.059 -0.238 0.000 1.316 117 L HN 0.076 nan 8.230 nan 0.000 0.432 118 D N 1.730 122.143 120.400 0.023 0.000 2.412 118 D HA 0.181 4.822 4.640 0.001 0.000 0.224 118 D C 0.669 177.008 176.300 0.064 0.000 1.093 118 D CA -0.295 53.740 54.000 0.059 0.000 0.850 118 D CB 1.447 42.284 40.800 0.062 0.000 1.046 118 D HN 0.493 nan 8.370 nan 0.000 0.507 119 M N 2.965 122.601 119.600 0.061 0.000 2.144 119 M HA -0.187 4.293 4.480 0.001 0.000 0.260 119 M C 1.290 177.637 176.300 0.078 0.000 1.067 119 M CA 1.654 56.998 55.300 0.074 0.000 1.095 119 M CB 0.219 32.853 32.600 0.057 0.000 1.365 119 M HN 0.425 nan 8.290 nan 0.000 0.406 120 E N -0.338 119.897 120.200 0.059 0.000 2.106 120 E HA -0.253 4.097 4.350 0.001 0.000 0.192 120 E C 1.839 178.473 176.600 0.057 0.000 0.984 120 E CA 1.468 57.898 56.400 0.050 0.000 0.806 120 E CB -0.205 29.519 29.700 0.039 0.000 0.750 120 E HN 0.669 nan 8.360 nan 0.000 0.458 121 E N 1.214 121.454 120.200 0.066 0.000 2.106 121 E HA -0.189 4.161 4.350 0.001 0.000 0.192 121 E C 2.122 178.769 176.600 0.078 0.000 0.984 121 E CA 0.687 57.128 56.400 0.068 0.000 0.806 121 E CB -0.037 29.706 29.700 0.072 0.000 0.750 121 E HN 0.228 nan 8.360 nan 0.000 0.458 122 L N 0.606 121.899 121.223 0.116 0.000 2.093 122 L HA -0.135 4.206 4.340 0.001 0.000 0.208 122 L C 2.416 179.360 176.870 0.125 0.000 1.085 122 L CA 1.368 56.312 54.840 0.174 0.000 0.755 122 L CB -0.438 41.775 42.059 0.256 0.000 0.904 122 L HN 0.174 nan 8.230 nan 0.000 0.435 123 E N -0.099 120.159 120.200 0.097 0.000 2.153 123 E HA -0.197 4.154 4.350 0.001 0.000 0.194 123 E C 1.926 178.482 176.600 -0.073 0.000 0.988 123 E CA 0.707 57.129 56.400 0.037 0.000 0.811 123 E CB 0.040 29.763 29.700 0.039 0.000 0.746 123 E HN 0.361 nan 8.360 nan 0.000 0.466 124 E N 0.441 120.617 120.200 -0.040 0.000 2.338 124 E HA -0.125 4.225 4.350 0.001 0.000 0.197 124 E C 1.836 178.367 176.600 -0.115 0.000 1.007 124 E CA 0.464 56.838 56.400 -0.043 0.000 0.849 124 E CB 0.071 29.783 29.700 0.020 0.000 0.774 124 E HN 0.342 nan 8.360 nan 0.000 0.506 125 I N 0.778 121.215 120.570 -0.223 0.000 2.546 125 I HA -0.101 4.070 4.170 0.001 0.000 0.255 125 I C 1.319 177.152 176.117 -0.473 0.000 1.163 125 I CA 0.377 61.487 61.300 -0.318 0.000 1.457 125 I CB -0.762 37.014 38.000 -0.375 0.000 1.092 125 I HN 0.106 nan 8.210 nan 0.000 0.434 126 E N 2.450 122.243 120.200 -0.678 0.000 2.413 126 E HA -0.057 4.294 4.350 0.001 0.000 0.263 126 E C -0.096 176.423 176.600 -0.135 0.000 1.015 126 E CA -0.074 56.001 56.400 -0.543 0.000 0.916 126 E CB 0.741 30.207 29.700 -0.389 0.000 0.947 126 E HN 0.102 nan 8.360 nan 0.000 0.440 127 E N 3.126 123.342 120.200 0.026 0.000 2.283 127 E HA 0.086 4.436 4.350 0.001 0.000 0.278 127 E C -0.699 175.998 176.600 0.163 0.000 1.027 127 E CA -0.414 56.072 56.400 0.143 0.000 0.843 127 E CB 0.913 30.780 29.700 0.279 0.000 1.062 127 E HN 0.487 nan 8.360 nan 0.000 0.401 128 D N 1.013 121.489 120.400 0.127 0.000 2.449 128 D HA 0.077 4.717 4.640 0.001 0.000 0.236 128 D C -0.395 175.966 176.300 0.102 0.000 1.149 128 D CA 0.162 54.229 54.000 0.111 0.000 0.878 128 D CB 0.684 41.566 40.800 0.136 0.000 1.198 128 D HN 0.381 nan 8.370 nan 0.000 0.446 129 A N 2.151 124.991 122.820 0.034 0.000 2.539 129 A HA 0.477 4.797 4.320 0.001 0.000 0.306 129 A C 0.864 178.263 177.584 -0.309 0.000 1.392 129 A CA -0.221 51.638 52.037 -0.296 0.000 1.060 129 A CB -0.057 18.790 19.000 -0.254 0.000 1.134 129 A HN 0.448 nan 8.150 nan 0.000 0.542 130 G N 2.305 110.821 108.800 -0.473 0.000 4.198 130 G HA2 0.428 4.388 3.960 0.001 0.000 0.282 130 G HA3 0.428 4.388 3.960 0.001 0.000 0.282 130 G C 0.298 174.751 174.900 -0.744 0.000 1.262 130 G CA -0.323 44.384 45.100 -0.655 0.000 1.473 130 G HN 0.689 nan 8.290 nan 0.000 0.624 131 L N 1.371 122.278 121.223 -0.526 0.000 2.855 131 L HA 0.327 4.667 4.340 0.001 0.000 0.245 131 L C 1.072 177.835 176.870 -0.178 0.000 1.276 131 L CA -0.059 54.639 54.840 -0.236 0.000 1.118 131 L CB -0.484 41.565 42.059 -0.016 0.000 1.444 131 L HN 0.351 nan 8.230 nan 0.000 0.440 132 G N -1.359 107.161 108.800 -0.467 0.000 2.677 132 G HA2 0.169 4.130 3.960 0.001 0.000 0.291 132 G HA3 0.169 4.130 3.960 0.001 0.000 0.291 132 G C -0.068 174.645 174.900 -0.311 0.000 1.435 132 G CA -0.489 44.468 45.100 -0.238 0.000 0.826 132 G HN -0.090 nan 8.290 nan 0.000 0.491 133 N N -0.704 117.958 118.700 -0.064 0.000 2.395 133 N HA 0.193 4.933 4.740 0.001 0.000 0.175 133 N C 1.124 176.705 175.510 0.118 0.000 1.029 133 N CA 1.331 54.376 53.050 -0.007 0.000 0.897 133 N CB 1.053 39.571 38.487 0.052 0.000 0.991 133 N HN 0.892 nan 8.380 nan 0.000 0.441 134 G N -0.808 108.112 108.800 0.200 0.000 2.593 134 G HA2 0.133 4.093 3.960 0.001 0.000 0.103 134 G HA3 0.133 4.093 3.960 0.001 0.000 0.103 134 G C 0.674 175.648 174.900 0.123 0.000 1.103 134 G CA 0.105 45.314 45.100 0.181 0.000 1.109 134 G HN 0.111 nan 8.290 nan 0.000 0.516 135 G N 0.246 109.085 108.800 0.064 0.000 2.446 135 G HA2 -0.060 3.900 3.960 0.001 0.000 0.217 135 G HA3 -0.060 3.900 3.960 0.001 0.000 0.217 135 G C 1.892 176.779 174.900 -0.022 0.000 1.168 135 G CA 1.596 46.702 45.100 0.010 0.000 0.771 135 G HN 0.880 nan 8.290 nan 0.000 0.551 136 L N 0.595 121.793 121.223 -0.042 0.000 2.056 136 L HA 0.117 4.458 4.340 0.001 0.000 0.207 136 L C 2.858 179.669 176.870 -0.097 0.000 1.078 136 L CA 1.825 56.572 54.840 -0.155 0.000 0.749 136 L CB -0.538 41.386 42.059 -0.225 0.000 0.901 136 L HN 0.247 nan 8.230 nan 0.000 0.433 137 G N -0.572 108.229 108.800 0.001 0.000 2.408 137 G HA2 -0.313 3.647 3.960 0.001 0.000 0.217 137 G HA3 -0.313 3.647 3.960 0.001 0.000 0.217 137 G C 1.637 176.604 174.900 0.112 0.000 1.150 137 G CA 0.727 45.859 45.100 0.054 0.000 0.776 137 G HN 0.292 nan 8.290 nan 0.000 0.542 138 R N -0.041 120.525 120.500 0.110 0.000 2.115 138 R HA 0.148 4.488 4.340 0.001 0.000 0.226 138 R C 2.299 178.603 176.300 0.008 0.000 1.100 138 R CA 0.759 56.901 56.100 0.072 0.000 0.980 138 R CB -0.815 29.481 30.300 -0.007 0.000 0.875 138 R HN 0.333 nan 8.270 nan 0.000 0.445 139 L N 0.099 121.262 121.223 -0.099 0.000 2.046 139 L HA 0.003 4.344 4.340 0.001 0.000 0.208 139 L C 2.086 178.704 176.870 -0.420 0.000 1.077 139 L CA 2.105 56.755 54.840 -0.317 0.000 0.747 139 L CB -0.752 41.069 42.059 -0.397 0.000 0.896 139 L HN 0.259 nan 8.230 nan 0.000 0.432 140 A N -0.671 122.065 122.820 -0.140 0.000 1.933 140 A HA -0.138 4.182 4.320 0.001 0.000 0.218 140 A C 2.419 180.180 177.584 0.294 0.000 1.175 140 A CA 1.771 53.889 52.037 0.135 0.000 0.628 140 A CB -1.062 17.955 19.000 0.028 0.000 0.814 140 A HN 0.554 nan 8.150 nan 0.000 0.444 141 A N -1.173 121.800 122.820 0.255 0.000 1.929 141 A HA -0.110 4.210 4.320 0.001 0.000 0.216 141 A C 2.270 179.964 177.584 0.184 0.000 1.176 141 A CA 1.538 53.734 52.037 0.265 0.000 0.628 141 A CB -1.156 17.972 19.000 0.214 0.000 0.816 141 A HN 0.592 nan 8.150 nan 0.000 0.444 142 C N -1.264 118.133 119.300 0.163 0.000 2.440 142 C HA -0.039 4.422 4.460 0.001 0.000 0.278 142 C C 2.400 177.570 174.990 0.301 0.000 1.295 142 C CA 0.455 59.599 59.018 0.210 0.000 1.738 142 C CB -1.581 26.299 27.740 0.233 0.000 1.987 142 C HN 0.608 nan 8.230 nan 0.000 0.492 143 F N 0.490 120.466 119.950 0.043 0.000 2.134 143 F HA -0.060 4.467 4.527 0.000 0.000 0.299 143 F C 2.139 177.898 175.800 -0.068 0.000 1.097 143 F CA 0.977 58.937 58.000 -0.066 0.000 1.264 143 F CB -1.424 37.407 39.000 -0.282 0.000 1.001 143 F HN 0.101 nan 8.300 nan 0.000 0.479 144 L N 0.359 121.695 121.223 0.188 0.000 2.046 144 L HA -0.204 4.136 4.340 0.001 0.000 0.208 144 L C 2.371 179.271 176.870 0.049 0.000 1.077 144 L CA 1.702 56.593 54.840 0.086 0.000 0.747 144 L CB -1.346 40.764 42.059 0.085 0.000 0.896 144 L HN 0.197 nan 8.230 nan 0.000 0.432 145 D N -1.138 119.304 120.400 0.068 0.000 2.097 145 D HA -0.172 4.468 4.640 0.001 0.000 0.195 145 D C 1.884 178.213 176.300 0.048 0.000 0.989 145 D CA 1.549 55.571 54.000 0.036 0.000 0.827 145 D CB 0.466 41.285 40.800 0.033 0.000 0.966 145 D HN 0.279 nan 8.370 nan 0.000 0.456 146 S N -0.058 115.691 115.700 0.081 0.000 2.383 146 S HA -0.088 4.382 4.470 0.001 0.000 0.227 146 S C 2.150 176.771 174.600 0.036 0.000 1.026 146 S CA 0.841 59.078 58.200 0.062 0.000 0.981 146 S CB -0.147 63.100 63.200 0.078 0.000 0.818 146 S HN 0.348 nan 8.310 nan 0.000 0.472 147 M N 0.931 120.544 119.600 0.022 0.000 2.159 147 M HA -0.128 4.352 4.480 0.001 0.000 0.263 147 M C 2.425 178.729 176.300 0.007 0.000 1.063 147 M CA 1.490 56.795 55.300 0.007 0.000 1.110 147 M CB -0.506 32.070 32.600 -0.039 0.000 1.374 147 M HN 0.403 nan 8.290 nan 0.000 0.411 148 A N -0.461 122.362 122.820 0.005 0.000 1.897 148 A HA -0.104 4.216 4.320 0.001 0.000 0.215 148 A C 2.146 179.751 177.584 0.036 0.000 1.181 148 A CA 1.881 53.926 52.037 0.014 0.000 0.620 148 A CB -0.998 17.995 19.000 -0.011 0.000 0.821 148 A HN 0.407 nan 8.150 nan 0.000 0.443 149 T N 0.266 114.846 114.554 0.043 0.000 2.881 149 T HA 0.006 4.356 4.350 0.001 0.000 0.270 149 T C 1.309 176.043 174.700 0.058 0.000 1.068 149 T CA 1.007 63.145 62.100 0.064 0.000 1.131 149 T CB -0.264 68.648 68.868 0.073 0.000 0.871 149 T HN 0.332 nan 8.240 nan 0.000 0.479 150 L N 0.371 121.624 121.223 0.050 0.000 2.629 150 L HA 0.287 4.627 4.340 0.001 0.000 0.230 150 L C 1.627 178.533 176.870 0.059 0.000 1.151 150 L CA -0.021 54.850 54.840 0.051 0.000 0.924 150 L CB -0.327 41.761 42.059 0.048 0.000 1.137 150 L HN 0.404 nan 8.230 nan 0.000 0.457 151 G N 1.013 109.853 108.800 0.067 0.000 2.198 151 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 151 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 151 G C 0.119 175.073 174.900 0.089 0.000 1.025 151 G CA 0.055 45.215 45.100 0.099 0.000 0.769 151 G HN 0.285 nan 8.290 nan 0.000 0.507 152 L N -0.361 120.879 121.223 0.028 0.000 2.379 152 L HA 0.658 4.999 4.340 0.001 0.000 0.269 152 L C 1.188 177.921 176.870 -0.229 0.000 1.084 152 L CA -0.428 54.376 54.840 -0.061 0.000 0.802 152 L CB 1.516 43.549 42.059 -0.043 0.000 1.175 152 L HN 0.231 nan 8.230 nan 0.000 0.448 153 A N 2.287 124.819 122.820 -0.480 0.000 2.990 153 A HA 0.588 4.908 4.320 0.001 0.000 0.282 153 A C 0.234 177.428 177.584 -0.649 0.000 1.688 153 A CA -0.203 51.210 52.037 -1.040 0.000 1.391 153 A CB -0.696 17.556 19.000 -1.246 0.000 1.112 153 A HN 0.692 nan 8.150 nan 0.000 0.588 154 A N 1.306 123.791 122.820 -0.560 0.000 2.340 154 A HA 0.771 5.091 4.320 0.001 0.000 0.331 154 A C -1.162 176.100 177.584 -0.536 0.000 1.140 154 A CA -0.433 51.345 52.037 -0.432 0.000 0.801 154 A CB 0.744 19.571 19.000 -0.288 0.000 1.234 154 A HN 0.589 nan 8.150 nan 0.000 0.469 155 Y N 0.655 120.856 120.300 -0.165 0.000 2.332 155 Y HA 0.502 5.052 4.550 0.001 0.000 0.326 155 Y C 0.896 176.876 175.900 0.134 0.000 0.978 155 Y CA -0.361 57.726 58.100 -0.022 0.000 1.205 155 Y CB 2.140 40.635 38.460 0.057 0.000 1.131 155 Y HN 0.856 nan 8.280 nan 0.000 0.462 156 G N 2.324 111.194 108.800 0.118 0.000 2.372 156 G HA2 0.401 4.362 3.960 0.001 0.000 0.283 156 G HA3 0.401 4.362 3.960 0.001 0.000 0.283 156 G C -1.666 173.272 174.900 0.064 0.000 1.177 156 G CA -0.151 45.075 45.100 0.210 0.000 0.842 156 G HN 0.516 nan 8.290 nan 0.000 0.503 157 Y N 0.467 120.980 120.300 0.356 0.000 2.406 157 Y HA 0.617 5.167 4.550 0.000 0.000 0.340 157 Y C 0.697 176.890 175.900 0.489 0.000 0.975 157 Y CA 0.157 58.443 58.100 0.309 0.000 1.056 157 Y CB 2.709 41.382 38.460 0.355 0.000 1.210 157 Y HN 0.904 nan 8.280 nan 0.000 0.448 158 G N 2.074 111.192 108.800 0.529 0.000 2.731 158 G HA2 0.544 4.505 3.960 0.001 0.000 0.309 158 G HA3 0.544 4.505 3.960 0.001 0.000 0.309 158 G C -2.073 173.070 174.900 0.405 0.000 1.273 158 G CA -0.783 44.646 45.100 0.548 0.000 0.798 158 G HN 0.606 nan 8.290 nan 0.000 0.509 159 I N -0.010 120.699 120.570 0.232 0.000 2.509 159 I HA 0.628 4.798 4.170 0.001 0.000 0.293 159 I C 0.104 176.166 176.117 -0.092 0.000 1.020 159 I CA -1.187 60.179 61.300 0.110 0.000 1.088 159 I CB 1.916 39.893 38.000 -0.038 0.000 1.267 159 I HN 0.455 nan 8.210 nan 0.000 0.430 160 R N 6.696 127.234 120.500 0.064 0.000 2.608 160 R HA 0.222 4.562 4.340 0.001 0.000 0.277 160 R C -1.477 174.887 176.300 0.106 0.000 1.341 160 R CA -0.375 55.784 56.100 0.098 0.000 1.199 160 R CB -0.084 30.253 30.300 0.062 0.000 1.156 160 R HN 0.513 nan 8.270 nan 0.000 0.558 161 Y N 1.600 122.043 120.300 0.238 0.000 2.511 161 Y HA -0.058 4.493 4.550 0.000 0.000 0.332 161 Y C 1.457 177.509 175.900 0.253 0.000 1.177 161 Y CA 0.100 58.325 58.100 0.208 0.000 1.422 161 Y CB 0.758 39.313 38.460 0.158 0.000 1.271 161 Y HN 0.554 nan 8.280 nan 0.000 0.550 162 E N 1.795 122.144 120.200 0.249 0.000 2.150 162 E HA -0.094 4.256 4.350 0.001 0.000 0.193 162 E C -0.704 175.653 176.600 -0.405 0.000 0.985 162 E CA 0.908 57.241 56.400 -0.112 0.000 0.814 162 E CB 0.099 29.643 29.700 -0.261 0.000 0.752 162 E HN 0.389 nan 8.360 nan 0.000 0.466 163 F N -0.179 119.977 119.950 0.343 0.000 2.460 163 F HA 0.376 4.903 4.527 0.000 0.000 0.341 163 F C 0.836 176.703 175.800 0.111 0.000 1.130 163 F CA -0.865 57.287 58.000 0.254 0.000 0.962 163 F CB 1.673 40.755 39.000 0.137 0.000 1.171 163 F HN -0.176 nan 8.300 nan 0.000 0.436 164 G N 1.985 110.852 108.800 0.111 0.000 2.624 164 G HA2 0.298 4.258 3.960 0.001 0.000 0.217 164 G HA3 0.298 4.258 3.960 0.001 0.000 0.217 164 G C -0.411 174.405 174.900 -0.141 0.000 1.506 164 G CA -0.556 44.449 45.100 -0.159 0.000 1.072 164 G HN 0.533 nan 8.290 nan 0.000 0.568 165 I N 0.896 121.307 120.570 -0.265 0.000 2.648 165 I HA 0.279 4.450 4.170 0.001 0.000 0.284 165 I C 0.532 176.541 176.117 -0.180 0.000 1.153 165 I CA -1.262 59.887 61.300 -0.251 0.000 1.426 165 I CB -0.090 37.677 38.000 -0.388 0.000 1.381 165 I HN 0.350 nan 8.210 nan 0.000 0.571 166 F N 4.855 124.809 119.950 0.007 0.000 2.586 166 F HA 0.197 4.724 4.527 0.001 0.000 0.344 166 F C 0.344 176.190 175.800 0.076 0.000 1.188 166 F CA -0.522 57.507 58.000 0.048 0.000 1.359 166 F CB -0.532 38.488 39.000 0.033 0.000 1.129 166 F HN 0.515 nan 8.300 nan 0.000 0.609 167 N N 1.434 120.305 118.700 0.284 0.000 2.458 167 N HA 0.063 4.804 4.740 0.001 0.000 0.270 167 N C -0.909 174.844 175.510 0.405 0.000 1.102 167 N CA -0.593 52.598 53.050 0.235 0.000 0.967 167 N CB 0.636 39.251 38.487 0.214 0.000 1.078 167 N HN 0.663 nan 8.380 nan 0.000 0.471 168 Q N 3.119 123.129 119.800 0.351 0.000 2.296 168 Q HA 0.155 4.495 4.340 0.001 0.000 0.257 168 Q C -0.927 175.254 176.000 0.301 0.000 0.942 168 Q CA -0.357 55.700 55.803 0.423 0.000 0.939 168 Q CB 0.585 29.569 28.738 0.410 0.000 1.198 168 Q HN 0.371 nan 8.270 nan 0.000 0.429 169 K N 3.945 124.494 120.400 0.250 0.000 2.118 169 K HA 0.481 4.802 4.320 0.001 0.000 0.254 169 K C -0.492 176.214 176.600 0.177 0.000 0.961 169 K CA -0.931 55.477 56.287 0.202 0.000 0.876 169 K CB 1.395 33.988 32.500 0.155 0.000 1.077 169 K HN 0.611 nan 8.250 nan 0.000 0.440 170 I N 1.817 122.483 120.570 0.160 0.000 2.355 170 I HA 0.159 4.329 4.170 0.001 0.000 0.288 170 I C -0.346 175.836 176.117 0.109 0.000 0.999 170 I CA -0.632 60.735 61.300 0.112 0.000 1.163 170 I CB 1.049 39.102 38.000 0.089 0.000 1.316 170 I HN 0.549 nan 8.210 nan 0.000 0.454 171 C N 5.198 124.573 119.300 0.125 0.000 2.346 171 C HA 0.661 5.121 4.460 0.001 0.000 0.326 171 C C 1.156 176.252 174.990 0.178 0.000 1.224 171 C CA 0.339 59.432 59.018 0.125 0.000 1.408 171 C CB -0.042 27.760 27.740 0.103 0.000 2.089 171 C HN 1.116 nan 8.230 nan 0.000 0.456 172 G N 4.147 113.029 108.800 0.135 0.000 2.249 172 G HA2 0.096 4.056 3.960 0.001 0.000 0.273 172 G HA3 0.096 4.056 3.960 0.001 0.000 0.273 172 G C 1.209 176.166 174.900 0.095 0.000 1.036 172 G CA 1.096 46.291 45.100 0.158 0.000 0.824 172 G HN 2.682 nan 8.290 nan 0.000 0.504 173 G N -2.966 105.827 108.800 -0.013 0.000 2.168 173 G HA2 -0.284 3.676 3.960 0.001 0.000 0.263 173 G HA3 -0.284 3.676 3.960 0.001 0.000 0.263 173 G C 0.322 175.029 174.900 -0.321 0.000 0.977 173 G CA 0.836 45.822 45.100 -0.189 0.000 0.659 173 G HN 1.258 nan 8.290 nan 0.000 0.533 174 W N 0.139 121.388 121.300 -0.086 0.000 2.639 174 W HA 0.668 5.328 4.660 0.001 0.000 0.347 174 W C 0.545 177.002 176.519 -0.103 0.000 1.067 174 W CA -0.997 56.284 57.345 -0.106 0.000 1.218 174 W CB 0.865 30.283 29.460 -0.070 0.000 1.393 174 W HN 0.264 nan 8.180 nan 0.000 0.557 175 Q N 2.553 122.438 119.800 0.143 0.000 2.352 175 Q HA 0.308 4.648 4.340 0.001 0.000 0.260 175 Q C -0.678 175.376 176.000 0.089 0.000 0.976 175 Q CA 0.207 56.068 55.803 0.096 0.000 0.881 175 Q CB 0.605 29.393 28.738 0.082 0.000 1.235 175 Q HN 0.314 nan 8.270 nan 0.000 0.419 176 M N 2.954 122.597 119.600 0.073 0.000 2.393 176 M HA 0.369 4.849 4.480 0.001 0.000 0.299 176 M C -1.378 174.918 176.300 -0.006 0.000 1.103 176 M CA -0.682 54.626 55.300 0.014 0.000 0.910 176 M CB 1.861 34.486 32.600 0.042 0.000 1.659 176 M HN 0.618 nan 8.290 nan 0.000 0.445 177 E N 1.430 121.545 120.200 -0.142 0.000 2.175 177 E HA 0.524 4.874 4.350 0.001 0.000 0.278 177 E C -0.870 175.711 176.600 -0.031 0.000 0.969 177 E CA -0.407 55.870 56.400 -0.205 0.000 0.796 177 E CB 1.688 30.960 29.700 -0.713 0.000 1.104 177 E HN 0.375 nan 8.360 nan 0.000 0.395 178 E N 1.010 121.280 120.200 0.116 0.000 2.238 178 E HA 0.564 4.914 4.350 0.001 0.000 0.267 178 E C -0.980 175.706 176.600 0.144 0.000 0.887 178 E CA -1.243 55.218 56.400 0.103 0.000 0.769 178 E CB 1.968 31.746 29.700 0.129 0.000 1.187 178 E HN 0.583 nan 8.360 nan 0.000 0.416 179 A N 2.249 125.108 122.820 0.065 0.000 2.488 179 A HA 0.022 4.342 4.320 0.001 0.000 0.249 179 A C -0.044 177.703 177.584 0.272 0.000 1.083 179 A CA 0.013 52.097 52.037 0.078 0.000 0.768 179 A CB -0.015 18.846 19.000 -0.232 0.000 1.017 179 A HN 0.632 nan 8.150 nan 0.000 0.496 180 D N 1.933 122.561 120.400 0.380 0.000 2.453 180 D HA 0.180 4.821 4.640 0.001 0.000 0.223 180 D C -0.443 176.170 176.300 0.522 0.000 1.183 180 D CA -0.196 54.026 54.000 0.371 0.000 0.933 180 D CB 0.430 41.383 40.800 0.253 0.000 1.038 180 D HN 0.356 nan 8.370 nan 0.000 0.513 181 D N 4.323 124.991 120.400 0.447 0.000 2.688 181 D HA -0.014 4.626 4.640 0.001 0.000 0.228 181 D C 0.997 177.406 176.300 0.181 0.000 1.116 181 D CA -0.630 53.555 54.000 0.308 0.000 1.023 181 D CB -0.158 40.818 40.800 0.293 0.000 1.100 181 D HN 0.583 nan 8.370 nan 0.000 0.487 182 W N 2.292 123.599 121.300 0.012 0.000 2.525 182 W HA -0.018 4.642 4.660 0.001 0.000 0.259 182 W C 0.048 176.598 176.519 0.052 0.000 1.253 182 W CA 0.058 57.436 57.345 0.054 0.000 1.262 182 W CB -0.679 28.813 29.460 0.053 0.000 1.122 182 W HN 0.203 nan 8.180 nan 0.000 0.607 183 L N 1.029 121.885 121.223 -0.612 0.000 2.628 183 L HA 0.196 4.536 4.340 0.001 0.000 0.229 183 L C 2.726 179.414 176.870 -0.303 0.000 1.137 183 L CA -0.080 54.376 54.840 -0.640 0.000 0.909 183 L CB -0.539 41.011 42.059 -0.849 0.000 1.137 183 L HN -0.101 nan 8.230 nan 0.000 0.470 184 R N 0.641 121.021 120.500 -0.200 0.000 2.096 184 R HA -0.220 4.121 4.340 0.001 0.000 0.240 184 R C 1.169 177.254 176.300 -0.359 0.000 1.139 184 R CA 2.024 57.959 56.100 -0.276 0.000 0.952 184 R CB -0.161 29.943 30.300 -0.327 0.000 0.854 184 R HN 0.299 nan 8.270 nan 0.000 0.436 185 Y N -0.065 120.239 120.300 0.006 0.000 2.493 185 Y HA 0.326 4.876 4.550 0.001 0.000 0.275 185 Y C 0.825 176.693 175.900 -0.054 0.000 1.183 185 Y CA 0.412 58.511 58.100 -0.001 0.000 1.258 185 Y CB 0.711 39.281 38.460 0.183 0.000 1.108 185 Y HN 0.452 nan 8.280 nan 0.000 0.521 186 G N 1.374 110.188 108.800 0.022 0.000 2.746 186 G HA2 -0.245 3.716 3.960 0.001 0.000 0.685 186 G HA3 -0.245 3.716 3.960 0.001 0.000 0.685 186 G C -1.135 173.807 174.900 0.071 0.000 1.350 186 G CA -0.712 44.373 45.100 -0.025 0.000 0.837 186 G HN 0.302 nan 8.290 nan 0.000 0.564 187 N N 0.928 119.627 118.700 -0.000 0.000 2.531 187 N HA 0.567 5.307 4.740 0.001 0.000 0.268 187 N C -0.830 174.678 175.510 -0.002 0.000 1.023 187 N CA -1.927 51.154 53.050 0.052 0.000 0.896 187 N CB 2.096 40.567 38.487 -0.026 0.000 1.233 187 N HN 0.265 nan 8.380 nan 0.000 0.512 188 P HA 0.075 nan 4.420 nan 0.000 0.241 188 P C 0.570 177.595 177.300 -0.460 0.000 1.191 188 P CA 0.511 63.349 63.100 -0.437 0.000 0.771 188 P CB 0.152 31.306 31.700 -0.911 0.000 0.929 189 W N 2.041 123.382 121.300 0.068 0.000 2.525 189 W HA 0.047 4.708 4.660 0.001 0.000 0.288 189 W C 1.402 177.975 176.519 0.090 0.000 1.200 189 W CA -0.245 57.127 57.345 0.046 0.000 1.349 189 W CB -0.485 28.993 29.460 0.030 0.000 1.102 189 W HN -0.045 nan 8.180 nan 0.000 0.558 190 E N 1.861 122.255 120.200 0.324 0.000 2.371 190 E HA 0.230 4.580 4.350 0.001 0.000 0.257 190 E C -0.547 176.234 176.600 0.302 0.000 1.134 190 E CA -0.537 56.057 56.400 0.322 0.000 0.919 190 E CB 0.946 30.852 29.700 0.344 0.000 1.025 190 E HN -0.329 nan 8.360 nan 0.000 0.438 191 K N 1.001 121.595 120.400 0.324 0.000 2.450 191 K HA 0.413 4.733 4.320 0.001 0.000 0.257 191 K C -1.199 175.436 176.600 0.058 0.000 0.953 191 K CA -0.513 55.896 56.287 0.203 0.000 0.844 191 K CB 1.586 34.207 32.500 0.201 0.000 1.103 191 K HN 0.658 nan 8.250 nan 0.000 0.429 192 A N 4.430 127.198 122.820 -0.086 0.000 2.511 192 A HA 0.308 4.629 4.320 0.001 0.000 0.242 192 A C -0.311 177.071 177.584 -0.336 0.000 1.069 192 A CA -0.020 51.707 52.037 -0.517 0.000 0.763 192 A CB 0.160 18.909 19.000 -0.418 0.000 1.001 192 A HN 0.651 nan 8.150 nan 0.000 0.498 193 R N 3.539 123.819 120.500 -0.367 0.000 2.748 193 R HA 0.212 4.552 4.340 0.001 0.000 0.283 193 R C -2.389 173.781 176.300 -0.217 0.000 1.507 193 R CA -1.744 54.217 56.100 -0.231 0.000 1.666 193 R CB 0.796 31.081 30.300 -0.025 0.000 1.237 193 R HN 0.567 nan 8.270 nan 0.000 0.633 194 P HA -0.169 nan 4.420 nan 0.000 0.220 194 P C 0.928 178.149 177.300 -0.132 0.000 1.148 194 P CA 1.070 64.089 63.100 -0.134 0.000 0.803 194 P CB 0.407 32.035 31.700 -0.119 0.000 0.782 195 E N -0.259 119.766 120.200 -0.292 0.000 2.265 195 E HA -0.147 4.203 4.350 0.001 0.000 0.196 195 E C 0.643 177.092 176.600 -0.251 0.000 0.996 195 E CA 0.999 57.178 56.400 -0.368 0.000 0.832 195 E CB -0.880 28.428 29.700 -0.653 0.000 0.756 195 E HN 0.271 nan 8.360 nan 0.000 0.491 196 F N 1.710 121.677 119.950 0.028 0.000 2.684 196 F HA 0.288 4.815 4.527 0.000 0.000 0.298 196 F C 0.428 176.320 175.800 0.154 0.000 1.120 196 F CA -0.806 57.239 58.000 0.074 0.000 1.332 196 F CB -0.032 39.005 39.000 0.062 0.000 0.986 196 F HN -0.299 nan 8.300 nan 0.000 0.524 197 T N 2.976 117.678 114.554 0.246 0.000 2.940 197 T HA 0.415 4.765 4.350 0.001 0.000 0.309 197 T C 0.137 174.944 174.700 0.178 0.000 1.056 197 T CA 0.476 62.715 62.100 0.233 0.000 1.137 197 T CB 0.618 69.573 68.868 0.145 0.000 0.976 197 T HN 0.023 nan 8.240 nan 0.000 0.547 198 L N 4.587 125.877 121.223 0.111 0.000 2.350 198 L HA 0.572 4.913 4.340 0.001 0.000 0.260 198 L C -2.327 174.498 176.870 -0.075 0.000 1.015 198 L CA -2.563 52.277 54.840 -0.000 0.000 0.821 198 L CB 2.642 44.640 42.059 -0.102 0.000 1.370 198 L HN 0.405 nan 8.230 nan 0.000 0.416 199 P HA 0.358 nan 4.420 nan 0.000 0.290 199 P C -1.304 175.878 177.300 -0.197 0.000 1.275 199 P CA -0.485 62.535 63.100 -0.134 0.000 0.841 199 P CB 2.167 33.796 31.700 -0.119 0.000 1.042 200 V N 3.420 123.180 119.914 -0.256 0.000 2.656 200 V HA 0.341 4.461 4.120 0.001 0.000 0.307 200 V C 0.067 175.918 176.094 -0.406 0.000 1.051 200 V CA -0.599 61.533 62.300 -0.280 0.000 0.893 200 V CB 1.601 33.271 31.823 -0.255 0.000 0.999 200 V HN 0.613 nan 8.190 nan 0.000 0.426 201 H N 3.397 122.267 119.070 -0.333 0.000 2.499 201 H HA 0.653 5.210 4.556 0.000 0.000 0.340 201 H C -1.364 173.673 175.328 -0.484 0.000 1.148 201 H CA -0.156 55.640 56.048 -0.421 0.000 1.215 201 H CB 2.080 31.388 29.762 -0.756 0.000 1.529 201 H HN 0.464 nan 8.280 nan 0.000 0.510 202 F N -0.051 119.940 119.950 0.067 0.000 2.626 202 F HA 0.200 4.727 4.527 0.000 0.000 0.311 202 F C -0.257 175.662 175.800 0.199 0.000 1.088 202 F CA -0.523 57.530 58.000 0.089 0.000 0.949 202 F CB 0.819 39.774 39.000 -0.075 0.000 1.322 202 F HN 0.569 nan 8.300 nan 0.000 0.461 203 Y N 0.149 120.744 120.300 0.492 0.000 2.896 203 Y HA 0.011 4.562 4.550 0.001 0.000 0.466 203 Y C 1.376 177.521 175.900 0.408 0.000 1.197 203 Y CA 0.793 59.100 58.100 0.344 0.000 2.513 203 Y CB -1.880 36.710 38.460 0.217 0.000 1.232 203 Y HN 1.349 nan 8.280 nan 0.000 0.632 204 G N 0.700 109.770 108.800 0.449 0.000 2.645 204 G HA2 0.120 4.081 3.960 0.001 0.000 0.239 204 G HA3 0.120 4.081 3.960 0.001 0.000 0.239 204 G C -0.518 174.601 174.900 0.365 0.000 1.331 204 G CA 1.072 46.371 45.100 0.331 0.000 0.890 204 G HN 1.416 nan 8.290 nan 0.000 0.572 205 R N -2.677 118.037 120.500 0.356 0.000 2.716 205 R HA 0.676 5.016 4.340 0.001 0.000 0.271 205 R C -1.476 174.958 176.300 0.224 0.000 1.028 205 R CA -0.951 55.295 56.100 0.244 0.000 0.883 205 R CB 1.143 31.534 30.300 0.150 0.000 1.250 205 R HN 0.942 nan 8.270 nan 0.000 0.465 206 V N 1.091 121.051 119.914 0.076 0.000 2.427 206 V HA 0.345 4.466 4.120 0.001 0.000 0.286 206 V C -0.205 175.820 176.094 -0.115 0.000 1.034 206 V CA -0.539 61.726 62.300 -0.059 0.000 0.893 206 V CB 1.437 33.127 31.823 -0.222 0.000 0.982 206 V HN 0.698 nan 8.190 nan 0.000 0.452 207 E N 3.214 123.334 120.200 -0.132 0.000 2.133 207 E HA 0.372 4.722 4.350 0.001 0.000 0.274 207 E C -0.926 175.557 176.600 -0.195 0.000 0.930 207 E CA -0.622 55.723 56.400 -0.091 0.000 0.770 207 E CB 0.832 30.522 29.700 -0.016 0.000 1.104 207 E HN 0.670 nan 8.360 nan 0.000 0.403 208 H N 2.782 121.864 119.070 0.021 0.000 2.640 208 H HA 0.159 4.715 4.556 0.000 0.000 0.297 208 H C 0.450 175.784 175.328 0.010 0.000 1.073 208 H CA -0.111 55.943 56.048 0.010 0.000 1.305 208 H CB 0.942 30.705 29.762 0.001 0.000 1.404 208 H HN 0.598 nan 8.280 nan 0.000 0.459 209 T N -1.166 113.442 114.554 0.090 0.000 2.708 209 T HA 0.132 4.482 4.350 0.001 0.000 0.256 209 T C 1.270 176.001 174.700 0.051 0.000 0.946 209 T CA -0.610 61.524 62.100 0.058 0.000 1.039 209 T CB 1.052 69.939 68.868 0.032 0.000 1.557 209 T HN 0.327 nan 8.240 nan 0.000 0.576 210 S N -0.706 115.014 115.700 0.033 0.000 2.556 210 S HA 0.129 4.599 4.470 0.001 0.000 0.216 210 S C 1.081 175.695 174.600 0.023 0.000 0.970 210 S CA -0.160 58.056 58.200 0.026 0.000 0.912 210 S CB -0.547 62.665 63.200 0.019 0.000 0.790 210 S HN 0.526 nan 8.310 nan 0.000 0.504 211 Q N 0.706 120.520 119.800 0.023 0.000 2.219 211 Q HA 0.342 4.682 4.340 0.001 0.000 0.209 211 Q C 1.100 177.113 176.000 0.023 0.000 0.854 211 Q CA 0.488 56.302 55.803 0.018 0.000 0.960 211 Q CB 0.744 29.489 28.738 0.012 0.000 1.116 211 Q HN 0.599 nan 8.270 nan 0.000 0.500 212 G N 0.915 109.737 108.800 0.037 0.000 2.445 212 G HA2 -0.105 3.855 3.960 0.001 0.000 0.212 212 G HA3 -0.105 3.855 3.960 0.001 0.000 0.212 212 G C -0.710 174.219 174.900 0.047 0.000 1.217 212 G CA -0.461 44.671 45.100 0.054 0.000 1.002 212 G HN 0.439 nan 8.290 nan 0.000 0.574 213 A N -0.079 122.755 122.820 0.024 0.000 2.302 213 A HA 0.797 5.117 4.320 0.001 0.000 0.285 213 A C 0.251 177.797 177.584 -0.063 0.000 1.105 213 A CA 0.698 52.687 52.037 -0.081 0.000 0.816 213 A CB 1.148 20.078 19.000 -0.117 0.000 1.067 213 A HN 1.040 nan 8.150 nan 0.000 0.489 214 K N 0.911 121.263 120.400 -0.080 0.000 2.541 214 K HA 0.256 4.577 4.320 0.001 0.000 0.250 214 K C -1.972 174.669 176.600 0.068 0.000 0.950 214 K CA -0.409 55.875 56.287 -0.006 0.000 0.805 214 K CB 1.189 33.684 32.500 -0.009 0.000 1.166 214 K HN 0.717 nan 8.250 nan 0.000 0.430 215 W N 6.643 127.868 121.300 -0.125 0.000 2.357 215 W HA 0.339 4.999 4.660 0.000 0.000 0.317 215 W C -0.797 175.675 176.519 -0.078 0.000 1.101 215 W CA -0.669 56.611 57.345 -0.108 0.000 1.380 215 W CB 0.080 29.465 29.460 -0.126 0.000 1.266 215 W HN 0.271 nan 8.180 nan 0.000 0.419 216 V N 2.741 122.724 119.914 0.115 0.000 3.155 216 V HA 0.609 4.729 4.120 0.001 0.000 0.313 216 V C -0.099 175.988 176.094 -0.012 0.000 1.162 216 V CA -0.954 61.334 62.300 -0.018 0.000 1.048 216 V CB 1.995 33.829 31.823 0.019 0.000 1.092 216 V HN 0.437 nan 8.190 nan 0.000 0.447 217 D N 0.028 120.418 120.400 -0.017 0.000 2.870 217 D HA -0.141 4.499 4.640 0.001 0.000 0.228 217 D C 0.572 176.884 176.300 0.020 0.000 1.147 217 D CA 1.495 55.505 54.000 0.017 0.000 0.757 217 D CB -1.743 39.088 40.800 0.052 0.000 1.091 217 D HN 1.289 nan 8.370 nan 0.000 0.429 218 T N -2.842 111.679 114.554 -0.056 0.000 2.849 218 T HA 0.483 4.833 4.350 0.001 0.000 0.284 218 T C 0.455 175.186 174.700 0.052 0.000 1.004 218 T CA -0.696 61.382 62.100 -0.038 0.000 1.021 218 T CB 1.976 70.683 68.868 -0.268 0.000 1.013 218 T HN 0.036 nan 8.240 nan 0.000 0.527 219 Q N 0.447 120.329 119.800 0.138 0.000 2.241 219 Q HA 0.590 4.930 4.340 0.001 0.000 0.254 219 Q C -0.954 175.092 176.000 0.076 0.000 0.917 219 Q CA -0.899 54.989 55.803 0.142 0.000 0.919 219 Q CB 1.971 30.870 28.738 0.270 0.000 1.237 219 Q HN 0.505 nan 8.270 nan 0.000 0.434 220 V N 2.772 122.680 119.914 -0.010 0.000 2.483 220 V HA 0.446 4.566 4.120 0.001 0.000 0.295 220 V C -0.341 175.772 176.094 0.032 0.000 1.035 220 V CA -0.640 61.576 62.300 -0.141 0.000 0.896 220 V CB 1.826 33.516 31.823 -0.222 0.000 0.986 220 V HN 0.491 nan 8.190 nan 0.000 0.447 221 V N 5.508 125.477 119.914 0.092 0.000 2.604 221 V HA 0.476 4.597 4.120 0.001 0.000 0.305 221 V C -0.173 176.016 176.094 0.158 0.000 1.043 221 V CA -0.630 61.781 62.300 0.185 0.000 0.888 221 V CB 1.952 33.978 31.823 0.339 0.000 0.995 221 V HN 0.625 nan 8.190 nan 0.000 0.429 222 L N 3.420 124.741 121.223 0.163 0.000 2.375 222 L HA 0.712 5.053 4.340 0.001 0.000 0.271 222 L C 0.456 177.507 176.870 0.302 0.000 1.107 222 L CA -0.312 54.620 54.840 0.153 0.000 0.806 222 L CB 1.340 43.474 42.059 0.125 0.000 1.146 222 L HN 0.764 nan 8.230 nan 0.000 0.447 223 A N 5.004 127.919 122.820 0.157 0.000 2.293 223 A HA 0.546 4.867 4.320 0.001 0.000 0.312 223 A C -0.468 177.366 177.584 0.416 0.000 1.309 223 A CA -0.495 51.644 52.037 0.169 0.000 0.839 223 A CB 0.909 19.509 19.000 -0.666 0.000 1.155 223 A HN 0.779 nan 8.150 nan 0.000 0.501 224 M N 5.959 125.873 119.600 0.523 0.000 2.157 224 M HA 0.505 4.985 4.480 0.001 0.000 0.354 224 M C -2.632 173.958 176.300 0.483 0.000 1.170 224 M CA -1.950 53.612 55.300 0.438 0.000 1.060 224 M CB 1.964 34.743 32.600 0.299 0.000 1.615 224 M HN 0.339 nan 8.290 nan 0.000 0.460 225 P HA 0.287 nan 4.420 nan 0.000 0.290 225 P C -1.987 175.266 177.300 -0.078 0.000 1.275 225 P CA -0.141 62.917 63.100 -0.069 0.000 0.841 225 P CB 0.682 32.139 31.700 -0.405 0.000 1.042 226 Y N 0.454 120.719 120.300 -0.059 0.000 2.331 226 Y HA 0.330 4.881 4.550 0.000 0.000 0.334 226 Y C 0.090 175.990 175.900 -0.000 0.000 0.960 226 Y CA -0.246 57.865 58.100 0.018 0.000 1.130 226 Y CB 1.380 39.881 38.460 0.069 0.000 1.164 226 Y HN 0.191 nan 8.280 nan 0.000 0.458 227 D N 2.137 122.651 120.400 0.191 0.000 2.256 227 D HA 0.376 5.016 4.640 0.001 0.000 0.240 227 D C -0.627 175.908 176.300 0.392 0.000 1.062 227 D CA -0.258 53.884 54.000 0.237 0.000 0.832 227 D CB 1.813 42.782 40.800 0.282 0.000 1.135 227 D HN 0.363 nan 8.370 nan 0.000 0.484 228 T N 3.554 118.237 114.554 0.216 0.000 2.807 228 T HA 0.468 4.818 4.350 0.001 0.000 0.279 228 T C -2.454 172.103 174.700 -0.238 0.000 0.993 228 T CA -1.485 60.645 62.100 0.050 0.000 0.970 228 T CB 1.960 70.854 68.868 0.042 0.000 0.950 228 T HN 0.163 nan 8.240 nan 0.000 0.441 229 P HA 0.330 nan 4.420 nan 0.000 0.275 229 P C -1.059 175.933 177.300 -0.512 0.000 1.228 229 P CA -0.411 62.051 63.100 -1.064 0.000 0.786 229 P CB 0.809 31.627 31.700 -1.469 0.000 0.927 230 V N 4.168 123.842 119.914 -0.400 0.000 2.385 230 V HA 0.280 4.401 4.120 0.001 0.000 0.277 230 V C -2.215 173.766 176.094 -0.190 0.000 1.012 230 V CA -1.736 60.421 62.300 -0.239 0.000 0.832 230 V CB 1.615 33.340 31.823 -0.163 0.000 1.028 230 V HN 0.548 nan 8.190 nan 0.000 0.436 231 P HA 0.335 nan 4.420 nan 0.000 0.292 231 P C 0.291 177.555 177.300 -0.059 0.000 1.287 231 P CA 0.160 63.188 63.100 -0.120 0.000 0.800 231 P CB 1.925 33.546 31.700 -0.132 0.000 0.945 232 G N 2.248 111.032 108.800 -0.028 0.000 2.599 232 G HA2 0.127 4.087 3.960 0.001 0.000 0.264 232 G HA3 0.127 4.087 3.960 0.001 0.000 0.264 232 G C -1.171 173.753 174.900 0.040 0.000 1.200 232 G CA -0.359 44.753 45.100 0.020 0.000 0.896 232 G HN 0.457 nan 8.290 nan 0.000 0.536 233 Y N 1.787 122.060 120.300 -0.046 0.000 2.585 233 Y HA 0.252 4.802 4.550 0.000 0.000 0.354 233 Y C 1.057 176.930 175.900 -0.046 0.000 1.024 233 Y CA -0.632 57.436 58.100 -0.053 0.000 1.321 233 Y CB 0.061 38.486 38.460 -0.057 0.000 1.151 233 Y HN 0.580 nan 8.280 nan 0.000 0.525 234 R N 2.634 122.847 120.500 -0.478 0.000 3.641 234 R HA -0.322 4.018 4.340 0.001 0.000 0.286 234 R C -0.065 176.121 176.300 -0.190 0.000 1.153 234 R CA 1.304 57.157 56.100 -0.413 0.000 0.775 234 R CB -2.695 27.224 30.300 -0.636 0.000 1.215 234 R HN 0.970 nan 8.270 nan 0.000 0.474 235 N N -0.903 117.734 118.700 -0.105 0.000 2.171 235 N HA 0.019 4.759 4.740 0.001 0.000 0.212 235 N C -0.131 175.350 175.510 -0.048 0.000 1.184 235 N CA -0.378 52.640 53.050 -0.054 0.000 0.888 235 N CB 0.453 38.934 38.487 -0.010 0.000 1.038 235 N HN -0.002 nan 8.380 nan 0.000 0.517 236 N N -0.005 118.661 118.700 -0.057 0.000 2.753 236 N HA -0.132 4.608 4.740 0.001 0.000 0.251 236 N C -0.961 174.528 175.510 -0.034 0.000 1.097 236 N CA 0.549 53.572 53.050 -0.045 0.000 0.786 236 N CB -1.349 37.110 38.487 -0.047 0.000 1.137 236 N HN 0.201 nan 8.380 nan 0.000 0.566 237 V N 0.928 120.829 119.914 -0.022 0.000 2.546 237 V HA 0.436 4.556 4.120 0.001 0.000 0.284 237 V C 0.639 176.727 176.094 -0.010 0.000 1.050 237 V CA -0.421 61.879 62.300 -0.001 0.000 0.981 237 V CB 2.104 33.951 31.823 0.040 0.000 0.990 237 V HN -0.037 nan 8.190 nan 0.000 0.474 238 V N 5.365 125.283 119.914 0.007 0.000 2.462 238 V HA 0.423 4.543 4.120 0.001 0.000 0.288 238 V C -0.146 175.971 176.094 0.038 0.000 1.020 238 V CA -0.838 61.438 62.300 -0.039 0.000 0.857 238 V CB 1.502 33.283 31.823 -0.070 0.000 1.013 238 V HN 0.855 nan 8.190 nan 0.000 0.431 239 N N 1.884 120.573 118.700 -0.018 0.000 2.495 239 N HA 0.590 5.331 4.740 0.001 0.000 0.294 239 N C -0.054 175.463 175.510 0.011 0.000 1.276 239 N CA -0.300 52.758 53.050 0.013 0.000 0.973 239 N CB 1.175 39.618 38.487 -0.073 0.000 1.143 239 N HN 0.569 nan 8.380 nan 0.000 0.589 240 T N 0.665 115.227 114.554 0.014 0.000 2.876 240 T HA 0.414 4.765 4.350 0.001 0.000 0.289 240 T C -0.412 174.251 174.700 -0.060 0.000 1.014 240 T CA -0.514 61.656 62.100 0.116 0.000 0.986 240 T CB 1.286 70.334 68.868 0.299 0.000 1.021 240 T HN 0.287 nan 8.240 nan 0.000 0.458 241 M N 3.448 122.985 119.600 -0.105 0.000 2.149 241 M HA 0.530 5.010 4.480 0.001 0.000 0.342 241 M C -0.549 175.610 176.300 -0.236 0.000 1.068 241 M CA -0.719 54.427 55.300 -0.256 0.000 0.991 241 M CB 0.829 33.226 32.600 -0.338 0.000 1.596 241 M HN 0.486 nan 8.290 nan 0.000 0.439 242 R N 5.874 126.115 120.500 -0.432 0.000 2.343 242 R HA 0.632 4.973 4.340 0.001 0.000 0.320 242 R C -2.017 173.988 176.300 -0.491 0.000 0.956 242 R CA -0.475 55.319 56.100 -0.509 0.000 0.836 242 R CB 1.036 30.817 30.300 -0.865 0.000 1.151 242 R HN 0.812 nan 8.270 nan 0.000 0.450 243 L N 4.987 126.045 121.223 -0.275 0.000 2.341 243 L HA 0.510 4.850 4.340 0.001 0.000 0.278 243 L C -0.904 175.947 176.870 -0.031 0.000 1.005 243 L CA -0.903 53.882 54.840 -0.091 0.000 0.818 243 L CB 1.565 43.660 42.059 0.061 0.000 1.259 243 L HN 0.603 nan 8.230 nan 0.000 0.418 244 W N 1.809 123.244 121.300 0.225 0.000 2.417 244 W HA 0.478 5.139 4.660 0.001 0.000 0.317 244 W C 0.457 177.231 176.519 0.425 0.000 1.121 244 W CA -0.351 57.147 57.345 0.254 0.000 1.208 244 W CB 1.574 31.024 29.460 -0.016 0.000 1.253 244 W HN 0.325 nan 8.180 nan 0.000 0.533 245 S N 2.088 118.218 115.700 0.717 0.000 2.478 245 S HA 0.747 5.217 4.470 0.001 0.000 0.312 245 S C -0.386 174.559 174.600 0.575 0.000 1.094 245 S CA -0.692 57.830 58.200 0.537 0.000 1.081 245 S CB 0.471 63.929 63.200 0.430 0.000 1.007 245 S HN 0.542 nan 8.310 nan 0.000 0.475 246 A N 5.121 128.134 122.820 0.322 0.000 2.409 246 A HA 0.670 4.991 4.320 0.001 0.000 0.262 246 A C -0.276 177.407 177.584 0.165 0.000 1.113 246 A CA -0.247 51.889 52.037 0.164 0.000 0.790 246 A CB 0.271 19.094 19.000 -0.295 0.000 1.046 246 A HN 0.651 nan 8.150 nan 0.000 0.496 247 K N 1.064 121.580 120.400 0.193 0.000 2.427 247 K HA 0.634 4.954 4.320 0.001 0.000 0.252 247 K C -0.273 176.394 176.600 0.112 0.000 0.931 247 K CA -0.412 55.962 56.287 0.145 0.000 0.793 247 K CB 2.050 34.646 32.500 0.160 0.000 1.211 247 K HN 0.816 nan 8.250 nan 0.000 0.426 248 A N 3.883 126.750 122.820 0.078 0.000 2.386 248 A HA 0.447 4.767 4.320 0.001 0.000 0.248 248 A C -1.949 175.670 177.584 0.058 0.000 1.082 248 A CA -0.845 51.228 52.037 0.061 0.000 0.789 248 A CB -0.522 18.503 19.000 0.041 0.000 1.025 248 A HN 0.427 nan 8.150 nan 0.000 0.490 249 P HA 0.098 nan 4.420 nan 0.000 0.272 249 P C -0.624 176.696 177.300 0.034 0.000 1.230 249 P CA -0.343 62.778 63.100 0.036 0.000 0.788 249 P CB 0.326 32.038 31.700 0.020 0.000 0.949 262 Y N 0.803 121.104 120.300 0.003 0.000 2.114 262 Y HA -0.031 4.520 4.550 0.001 0.000 0.284 262 Y C 2.677 178.580 175.900 0.004 0.000 1.143 262 Y CA 2.265 60.367 58.100 0.004 0.000 1.135 262 Y CB -0.112 38.350 38.460 0.003 0.000 0.980 262 Y HN 0.233 nan 8.280 nan 0.000 0.499 263 I N 0.522 120.973 120.570 -0.197 0.000 2.127 263 I HA -0.305 3.865 4.170 0.001 0.000 0.241 263 I C 2.385 178.364 176.117 -0.229 0.000 1.075 263 I CA 1.827 62.949 61.300 -0.298 0.000 1.334 263 I CB -1.439 36.512 38.000 -0.081 0.000 1.040 263 I HN 0.326 nan 8.210 nan 0.000 0.405 264 Q N 1.083 120.815 119.800 -0.114 0.000 2.181 264 Q HA -0.120 4.220 4.340 0.001 0.000 0.205 264 Q C 2.177 178.121 176.000 -0.094 0.000 0.980 264 Q CA 2.106 57.861 55.803 -0.082 0.000 0.862 264 Q CB -0.375 28.339 28.738 -0.040 0.000 0.905 264 Q HN 0.490 nan 8.270 nan 0.000 0.429 265 A N -0.987 121.767 122.820 -0.110 0.000 1.969 265 A HA -0.099 4.222 4.320 0.001 0.000 0.218 265 A C 2.207 179.718 177.584 -0.123 0.000 1.169 265 A CA 1.491 53.476 52.037 -0.087 0.000 0.635 265 A CB -0.530 18.440 19.000 -0.050 0.000 0.810 265 A HN 0.259 nan 8.150 nan 0.000 0.445 266 V N 0.177 119.952 119.914 -0.231 0.000 2.379 266 V HA -0.194 3.926 4.120 0.001 0.000 0.245 266 V C 2.485 178.509 176.094 -0.116 0.000 1.044 266 V CA 1.686 63.867 62.300 -0.199 0.000 1.036 266 V CB -0.691 30.935 31.823 -0.328 0.000 0.664 266 V HN 0.576 nan 8.190 nan 0.000 0.453 267 L N -0.171 120.984 121.223 -0.114 0.000 2.131 267 L HA -0.157 4.183 4.340 0.001 0.000 0.210 267 L C 1.986 178.830 176.870 -0.043 0.000 1.092 267 L CA 1.280 56.081 54.840 -0.066 0.000 0.759 267 L CB -0.728 41.296 42.059 -0.058 0.000 0.903 267 L HN 0.325 nan 8.230 nan 0.000 0.435 268 D N 0.065 120.438 120.400 -0.044 0.000 2.371 268 D HA -0.070 4.570 4.640 0.001 0.000 0.221 268 D C 2.134 178.424 176.300 -0.016 0.000 0.986 268 D CA 0.443 54.427 54.000 -0.027 0.000 0.899 268 D CB -0.022 40.763 40.800 -0.025 0.000 0.902 268 D HN 0.216 nan 8.370 nan 0.000 0.530 269 R N 0.461 120.951 120.500 -0.018 0.000 2.200 269 R HA -0.077 4.263 4.340 0.001 0.000 0.234 269 R C 1.568 177.872 176.300 0.007 0.000 1.127 269 R CA 0.663 56.763 56.100 -0.001 0.000 0.989 269 R CB -0.069 30.231 30.300 0.000 0.000 0.869 269 R HN 0.145 nan 8.270 nan 0.000 0.459 270 N N 0.837 119.539 118.700 0.003 0.000 2.205 270 N HA -0.158 4.582 4.740 0.001 0.000 0.186 270 N C 1.726 177.241 175.510 0.009 0.000 1.015 270 N CA 1.096 54.152 53.050 0.011 0.000 0.862 270 N CB -0.196 38.296 38.487 0.008 0.000 0.986 270 N HN 0.249 nan 8.380 nan 0.000 0.429 271 L N 0.461 121.686 121.223 0.002 0.000 2.012 271 L HA -0.146 4.194 4.340 0.001 0.000 0.210 271 L C 2.374 179.238 176.870 -0.010 0.000 1.073 271 L CA 1.418 56.257 54.840 -0.002 0.000 0.748 271 L CB -0.532 41.525 42.059 -0.003 0.000 0.891 271 L HN 0.138 nan 8.230 nan 0.000 0.431 272 A N -0.374 122.444 122.820 -0.003 0.000 1.968 272 A HA -0.156 4.165 4.320 0.001 0.000 0.217 272 A C 2.105 179.672 177.584 -0.028 0.000 1.169 272 A CA 1.177 53.208 52.037 -0.011 0.000 0.638 272 A CB -0.324 18.693 19.000 0.029 0.000 0.812 272 A HN 0.432 nan 8.150 nan 0.000 0.446 273 E N 0.124 120.323 120.200 -0.001 0.000 2.347 273 E HA -0.097 4.253 4.350 0.001 0.000 0.196 273 E C 1.074 177.675 176.600 0.002 0.000 1.008 273 E CA 0.416 56.821 56.400 0.008 0.000 0.852 273 E CB -0.089 29.634 29.700 0.038 0.000 0.783 273 E HN 0.467 nan 8.360 nan 0.000 0.505 274 N N 0.750 119.450 118.700 0.001 0.000 2.453 274 N HA -0.080 4.660 4.740 0.001 0.000 0.183 274 N C 1.543 177.054 175.510 0.002 0.000 1.041 274 N CA 0.584 53.647 53.050 0.021 0.000 0.900 274 N CB -0.001 38.498 38.487 0.020 0.000 0.961 274 N HN 0.262 nan 8.380 nan 0.000 0.443 275 I N 0.427 120.945 120.570 -0.088 0.000 2.208 275 I HA -0.245 3.925 4.170 0.001 0.000 0.245 275 I C 1.463 177.532 176.117 -0.081 0.000 1.097 275 I CA 1.224 62.434 61.300 -0.149 0.000 1.363 275 I CB -0.223 37.537 38.000 -0.401 0.000 1.051 275 I HN 0.124 nan 8.210 nan 0.000 0.413 276 S N -0.385 115.269 115.700 -0.075 0.000 2.614 276 S HA 0.158 4.628 4.470 0.001 0.000 0.230 276 S C 1.526 176.246 174.600 0.200 0.000 0.952 276 S CA -0.466 57.769 58.200 0.059 0.000 0.949 276 S CB 0.188 63.421 63.200 0.055 0.000 0.786 276 S HN 0.210 nan 8.310 nan 0.000 0.478 277 R N 1.326 121.947 120.500 0.202 0.000 2.066 277 R HA 0.255 4.595 4.340 0.001 0.000 0.232 277 R C 0.415 176.958 176.300 0.406 0.000 1.131 277 R CA 1.169 57.440 56.100 0.285 0.000 0.955 277 R CB -0.271 30.159 30.300 0.216 0.000 0.851 277 R HN 0.401 nan 8.270 nan 0.000 0.432 278 V N 0.115 120.227 119.914 0.330 0.000 2.969 278 V HA 0.326 4.446 4.120 0.001 0.000 0.304 278 V C -1.610 174.445 176.094 -0.066 0.000 1.192 278 V CA -1.396 61.021 62.300 0.196 0.000 0.962 278 V CB 1.738 33.613 31.823 0.086 0.000 1.045 278 V HN 0.127 nan 8.190 nan 0.000 0.428 279 L N 6.594 127.527 121.223 -0.484 0.000 2.462 279 L HA 0.405 4.746 4.340 0.001 0.000 0.272 279 L C -0.777 175.915 176.870 -0.297 0.000 1.166 279 L CA 0.548 54.914 54.840 -0.789 0.000 0.880 279 L CB 0.214 41.741 42.059 -0.887 0.000 1.142 279 L HN 0.670 nan 8.230 nan 0.000 0.473 280 Y N 7.013 127.251 120.300 -0.103 0.000 2.569 280 Y HA 0.181 4.731 4.550 0.000 0.000 0.332 280 Y C -1.345 174.562 175.900 0.011 0.000 1.120 280 Y CA -1.191 56.910 58.100 0.002 0.000 1.416 280 Y CB 0.308 38.791 38.460 0.039 0.000 1.210 280 Y HN 0.568 nan 8.280 nan 0.000 0.528 281 P HA 0.015 nan 4.420 nan 0.000 0.243 281 P C -0.839 176.599 177.300 0.230 0.000 1.668 281 P CA 0.148 63.358 63.100 0.182 0.000 0.898 281 P CB 0.056 31.934 31.700 0.297 0.000 1.637 282 N N 1.056 119.900 118.700 0.239 0.000 2.487 282 N HA 0.183 4.923 4.740 0.001 0.000 0.292 282 N C -0.579 175.082 175.510 0.251 0.000 1.108 282 N CA 0.104 53.320 53.050 0.278 0.000 0.956 282 N CB 1.483 40.170 38.487 0.334 0.000 1.176 282 N HN 0.128 nan 8.380 nan 0.000 0.484 283 D N 1.151 121.727 120.400 0.292 0.000 2.505 283 D HA 0.188 4.829 4.640 0.001 0.000 0.250 283 D C -0.739 175.763 176.300 0.336 0.000 1.164 283 D CA -0.304 53.861 54.000 0.275 0.000 0.870 283 D CB 0.239 41.198 40.800 0.264 0.000 1.160 283 D HN 0.466 nan 8.370 nan 0.000 0.549 284 N N 2.210 121.076 118.700 0.278 0.000 2.754 284 N HA -0.246 4.495 4.740 0.001 0.000 0.248 284 N C -1.347 174.381 175.510 0.363 0.000 1.093 284 N CA 0.720 53.919 53.050 0.248 0.000 0.699 284 N CB -1.179 37.406 38.487 0.163 0.000 1.016 284 N HN 0.379 nan 8.380 nan 0.000 0.552 285 F N 0.394 120.442 119.950 0.164 0.000 2.651 285 F HA 0.446 4.973 4.527 0.000 0.000 0.329 285 F C -1.479 174.403 175.800 0.136 0.000 1.186 285 F CA -1.309 56.771 58.000 0.133 0.000 1.046 285 F CB 0.816 39.865 39.000 0.081 0.000 1.296 285 F HN -0.057 nan 8.300 nan 0.000 0.497 286 F N 6.348 125.901 119.950 -0.663 0.000 2.424 286 F HA 0.422 4.949 4.527 0.000 0.000 0.356 286 F C -0.298 174.977 175.800 -0.876 0.000 1.110 286 F CA -0.275 57.364 58.000 -0.602 0.000 1.161 286 F CB 0.730 39.424 39.000 -0.509 0.000 1.115 286 F HN 0.607 nan 8.300 nan 0.000 0.507 287 E N 4.332 123.932 120.200 -1.000 0.000 2.114 287 E HA 0.365 4.715 4.350 0.001 0.000 0.266 287 E C 0.116 175.954 176.600 -1.270 0.000 0.896 287 E CA -0.670 55.215 56.400 -0.859 0.000 0.750 287 E CB 0.961 30.525 29.700 -0.226 0.000 1.121 287 E HN 0.933 nan 8.360 nan 0.000 0.413 288 G N 5.524 113.478 108.800 -1.411 0.000 3.455 288 G HA2 -0.006 3.955 3.960 0.001 0.000 0.250 288 G HA3 -0.006 3.955 3.960 0.001 0.000 0.250 288 G C 0.098 174.917 174.900 -0.136 0.000 1.071 288 G CA -0.274 44.197 45.100 -1.047 0.000 1.812 288 G HN 0.276 nan 8.290 nan 0.000 0.643 289 K N 0.491 120.821 120.400 -0.118 0.000 2.270 289 K HA 0.089 4.409 4.320 0.001 0.000 0.276 289 K C 1.065 177.751 176.600 0.143 0.000 1.023 289 K CA -0.382 55.921 56.287 0.027 0.000 0.955 289 K CB 1.833 34.308 32.500 -0.040 0.000 0.975 289 K HN 0.441 nan 8.250 nan 0.000 0.471 290 E N 1.779 122.044 120.200 0.108 0.000 2.085 290 E HA -0.225 4.125 4.350 0.001 0.000 0.194 290 E C 1.592 178.184 176.600 -0.014 0.000 0.994 290 E CA 1.019 57.434 56.400 0.024 0.000 0.801 290 E CB 0.126 29.854 29.700 0.045 0.000 0.743 290 E HN 0.422 nan 8.360 nan 0.000 0.453 291 L N 1.261 122.521 121.223 0.062 0.000 2.079 291 L HA -0.173 4.168 4.340 0.001 0.000 0.210 291 L C 2.434 179.381 176.870 0.128 0.000 1.081 291 L CA 1.737 56.637 54.840 0.101 0.000 0.752 291 L CB -0.496 41.691 42.059 0.215 0.000 0.896 291 L HN 0.009 nan 8.230 nan 0.000 0.433 292 R N -0.480 120.050 120.500 0.050 0.000 2.081 292 R HA -0.162 4.178 4.340 0.001 0.000 0.235 292 R C 2.114 178.471 176.300 0.095 0.000 1.131 292 R CA 1.899 58.019 56.100 0.033 0.000 0.960 292 R CB -1.117 29.026 30.300 -0.261 0.000 0.856 292 R HN 0.426 nan 8.270 nan 0.000 0.436 293 L N 0.921 122.092 121.223 -0.086 0.000 2.046 293 L HA -0.105 4.235 4.340 0.001 0.000 0.208 293 L C 1.721 178.535 176.870 -0.094 0.000 1.077 293 L CA 1.922 56.526 54.840 -0.394 0.000 0.747 293 L CB -0.421 41.055 42.059 -0.971 0.000 0.896 293 L HN 0.155 nan 8.230 nan 0.000 0.432 294 K N -0.962 119.411 120.400 -0.045 0.000 2.063 294 K HA -0.210 4.110 4.320 0.001 0.000 0.208 294 K C 2.098 178.846 176.600 0.247 0.000 1.048 294 K CA 1.868 58.190 56.287 0.058 0.000 0.928 294 K CB -0.230 32.116 32.500 -0.257 0.000 0.713 294 K HN 0.515 nan 8.250 nan 0.000 0.442 295 Q N 0.674 120.587 119.800 0.189 0.000 2.096 295 Q HA -0.202 4.138 4.340 0.001 0.000 0.204 295 Q C 1.993 178.194 176.000 0.334 0.000 0.982 295 Q CA 1.519 57.485 55.803 0.272 0.000 0.850 295 Q CB -0.043 28.880 28.738 0.308 0.000 0.901 295 Q HN 0.394 nan 8.270 nan 0.000 0.422 296 E N -0.135 120.224 120.200 0.266 0.000 2.031 296 E HA -0.220 4.130 4.350 0.001 0.000 0.193 296 E C 1.779 178.507 176.600 0.214 0.000 0.994 296 E CA 1.163 57.708 56.400 0.243 0.000 0.800 296 E CB -0.205 29.626 29.700 0.219 0.000 0.752 296 E HN 0.317 nan 8.360 nan 0.000 0.447 297 Y N 0.481 120.842 120.300 0.102 0.000 2.242 297 Y HA -0.231 4.320 4.550 0.001 0.000 0.291 297 Y C 1.971 177.911 175.900 0.068 0.000 1.137 297 Y CA 1.156 59.268 58.100 0.021 0.000 1.181 297 Y CB -0.373 38.069 38.460 -0.029 0.000 0.989 297 Y HN 0.046 nan 8.280 nan 0.000 0.527 298 F N -0.354 119.572 119.950 -0.040 0.000 2.095 298 F HA -0.234 4.294 4.527 0.000 0.000 0.298 298 F C 2.113 177.762 175.800 -0.251 0.000 1.104 298 F CA 2.011 59.934 58.000 -0.129 0.000 1.232 298 F CB -0.820 38.264 39.000 0.139 0.000 0.987 298 F HN -0.123 nan 8.300 nan 0.000 0.475 299 V N -0.384 119.515 119.914 -0.025 0.000 2.307 299 V HA -0.279 3.841 4.120 0.001 0.000 0.245 299 V C 2.429 178.415 176.094 -0.179 0.000 1.045 299 V CA 1.651 63.928 62.300 -0.039 0.000 1.024 299 V CB -0.736 31.230 31.823 0.239 0.000 0.651 299 V HN 0.287 nan 8.190 nan 0.000 0.449 300 V N 0.208 120.023 119.914 -0.165 0.000 2.287 300 V HA -0.287 3.834 4.120 0.001 0.000 0.248 300 V C 2.677 178.545 176.094 -0.377 0.000 1.053 300 V CA 2.242 64.422 62.300 -0.199 0.000 1.027 300 V CB -1.043 30.717 31.823 -0.105 0.000 0.646 300 V HN 0.570 nan 8.190 nan 0.000 0.447 301 A N -0.298 122.123 122.820 -0.665 0.000 1.873 301 A HA -0.069 4.252 4.320 0.001 0.000 0.215 301 A C 2.407 179.646 177.584 -0.574 0.000 1.186 301 A CA 2.035 53.675 52.037 -0.661 0.000 0.616 301 A CB -0.837 17.587 19.000 -0.959 0.000 0.823 301 A HN 0.567 nan 8.150 nan 0.000 0.442 302 A N -0.990 121.320 122.820 -0.849 0.000 1.898 302 A HA -0.066 4.254 4.320 0.001 0.000 0.216 302 A C 2.301 179.505 177.584 -0.633 0.000 1.181 302 A CA 2.274 53.650 52.037 -1.102 0.000 0.620 302 A CB -1.288 16.306 19.000 -2.343 0.000 0.819 302 A HN 0.430 nan 8.150 nan 0.000 0.442 303 T N 0.273 114.583 114.554 -0.406 0.000 2.746 303 T HA -0.116 4.234 4.350 0.001 0.000 0.267 303 T C 1.675 176.155 174.700 -0.367 0.000 1.039 303 T CA 1.605 63.553 62.100 -0.252 0.000 1.142 303 T CB -0.317 68.374 68.868 -0.295 0.000 0.866 303 T HN 0.222 nan 8.240 nan 0.000 0.444 304 L N 1.020 122.065 121.223 -0.298 0.000 2.201 304 L HA -0.005 4.336 4.340 0.001 0.000 0.212 304 L C 2.589 179.358 176.870 -0.169 0.000 1.105 304 L CA 1.423 56.123 54.840 -0.233 0.000 0.775 304 L CB -0.716 41.245 42.059 -0.163 0.000 0.913 304 L HN 0.288 nan 8.230 nan 0.000 0.440 305 Q N -0.777 118.926 119.800 -0.162 0.000 2.084 305 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 305 Q C 1.690 177.667 176.000 -0.038 0.000 0.978 305 Q CA 1.521 57.272 55.803 -0.086 0.000 0.844 305 Q CB -0.097 28.582 28.738 -0.099 0.000 0.898 305 Q HN 0.439 nan 8.270 nan 0.000 0.426 306 D N 0.490 120.871 120.400 -0.032 0.000 2.117 306 D HA -0.104 4.537 4.640 0.001 0.000 0.198 306 D C 1.767 178.020 176.300 -0.077 0.000 0.982 306 D CA 0.876 54.885 54.000 0.014 0.000 0.828 306 D CB -0.060 40.824 40.800 0.139 0.000 0.967 306 D HN 0.217 nan 8.370 nan 0.000 0.464 307 I N 0.629 121.043 120.570 -0.259 0.000 2.179 307 I HA -0.228 3.942 4.170 0.001 0.000 0.242 307 I C 2.198 178.332 176.117 0.028 0.000 1.088 307 I CA 0.616 61.694 61.300 -0.371 0.000 1.357 307 I CB -0.097 37.517 38.000 -0.644 0.000 1.051 307 I HN 0.019 nan 8.210 nan 0.000 0.409 308 I N 0.610 121.245 120.570 0.108 0.000 2.252 308 I HA -0.260 3.910 4.170 0.001 0.000 0.245 308 I C 2.686 178.964 176.117 0.267 0.000 1.102 308 I CA 1.414 62.889 61.300 0.291 0.000 1.385 308 I CB -1.122 36.994 38.000 0.194 0.000 1.064 308 I HN 0.333 nan 8.210 nan 0.000 0.414 309 R N 1.175 121.760 120.500 0.142 0.000 2.081 309 R HA -0.141 4.200 4.340 0.001 0.000 0.235 309 R C 2.419 178.789 176.300 0.117 0.000 1.131 309 R CA 1.235 57.403 56.100 0.113 0.000 0.960 309 R CB -0.078 30.253 30.300 0.052 0.000 0.856 309 R HN 0.268 nan 8.270 nan 0.000 0.436 310 R N -0.472 120.095 120.500 0.112 0.000 2.092 310 R HA -0.150 4.190 4.340 0.001 0.000 0.231 310 R C 2.213 178.610 176.300 0.163 0.000 1.119 310 R CA 1.520 57.689 56.100 0.114 0.000 0.970 310 R CB -0.464 29.897 30.300 0.102 0.000 0.864 310 R HN 0.269 nan 8.270 nan 0.000 0.440 311 F N 2.240 122.242 119.950 0.088 0.000 2.134 311 F HA -0.155 4.372 4.527 0.000 0.000 0.299 311 F C 1.825 177.716 175.800 0.152 0.000 1.097 311 F CA 1.511 59.577 58.000 0.109 0.000 1.264 311 F CB -0.007 39.102 39.000 0.180 0.000 1.001 311 F HN -0.217 nan 8.300 nan 0.000 0.479 312 K N -0.220 120.217 120.400 0.061 0.000 2.211 312 K HA -0.056 4.264 4.320 0.001 0.000 0.203 312 K C 1.794 178.377 176.600 -0.027 0.000 1.050 312 K CA 1.329 57.587 56.287 -0.047 0.000 0.945 312 K CB -0.207 32.341 32.500 0.080 0.000 0.732 312 K HN 0.184 nan 8.250 nan 0.000 0.451 313 S N 0.376 116.086 115.700 0.016 0.000 2.593 313 S HA -0.021 4.450 4.470 0.001 0.000 0.217 313 S C 1.609 176.222 174.600 0.022 0.000 0.966 313 S CA 0.336 58.571 58.200 0.059 0.000 0.914 313 S CB 0.154 63.426 63.200 0.121 0.000 0.776 313 S HN 0.365 nan 8.310 nan 0.000 0.523 314 S N 2.585 118.220 115.700 -0.107 0.000 2.365 314 S HA 0.094 4.565 4.470 0.001 0.000 0.194 314 S C 1.390 175.783 174.600 -0.344 0.000 1.093 314 S CA 0.406 58.473 58.200 -0.222 0.000 1.224 314 S CB -0.275 62.756 63.200 -0.281 0.000 0.961 314 S HN 0.372 nan 8.310 nan 0.000 0.412 315 K N -0.213 119.824 120.400 -0.605 0.000 4.310 315 K HA 0.313 4.633 4.320 0.001 0.000 0.185 315 K C -0.247 176.033 176.600 -0.533 0.000 1.134 315 K CA -0.263 55.617 56.287 -0.680 0.000 1.860 315 K CB -0.514 31.394 32.500 -0.986 0.000 2.614 315 K HN 0.356 nan 8.250 nan 0.000 0.570 324 T N 0.834 115.333 114.554 -0.091 0.000 2.635 324 T HA -0.221 4.130 4.350 0.001 0.000 0.267 324 T C 1.638 176.160 174.700 -0.298 0.000 1.040 324 T CA 1.746 63.769 62.100 -0.127 0.000 1.156 324 T CB -0.758 68.026 68.868 -0.140 0.000 0.863 324 T HN 0.442 nan 8.240 nan 0.000 0.430 325 N N 2.481 120.775 118.700 -0.676 0.000 2.006 325 N HA -0.116 4.624 4.740 0.001 0.000 0.196 325 N C 1.599 177.010 175.510 -0.165 0.000 1.070 325 N CA 1.771 54.249 53.050 -0.954 0.000 0.859 325 N CB -1.416 36.379 38.487 -1.154 0.000 1.060 325 N HN 0.481 nan 8.380 nan 0.000 0.424 326 F N 1.457 121.453 119.950 0.077 0.000 2.250 326 F HA -0.091 4.436 4.527 0.000 0.000 0.301 326 F C 1.941 177.773 175.800 0.053 0.000 1.077 326 F CA 1.238 59.248 58.000 0.017 0.000 1.348 326 F CB -0.461 38.454 39.000 -0.141 0.000 1.040 326 F HN 0.042 nan 8.300 nan 0.000 0.509 327 D N 0.205 120.713 120.400 0.180 0.000 2.182 327 D HA -0.143 4.497 4.640 0.001 0.000 0.201 327 D C 2.160 178.571 176.300 0.186 0.000 0.986 327 D CA 1.415 55.506 54.000 0.151 0.000 0.847 327 D CB -0.391 40.477 40.800 0.113 0.000 0.942 327 D HN 0.297 nan 8.370 nan 0.000 0.467 328 A N -0.561 122.424 122.820 0.275 0.000 2.251 328 A HA 0.075 4.395 4.320 0.001 0.000 0.209 328 A C 1.625 179.405 177.584 0.326 0.000 1.187 328 A CA -0.330 51.901 52.037 0.325 0.000 0.823 328 A CB -0.732 18.566 19.000 0.497 0.000 0.846 328 A HN 0.144 nan 8.150 nan 0.000 0.486 329 F N 2.166 122.114 119.950 -0.004 0.000 2.095 329 F HA -0.106 4.421 4.527 0.001 0.000 0.298 329 F C -0.693 175.036 175.800 -0.117 0.000 1.104 329 F CA 2.327 60.116 58.000 -0.351 0.000 1.232 329 F CB -0.358 38.355 39.000 -0.478 0.000 0.987 329 F HN 0.212 nan 8.300 nan 0.000 0.475 330 P HA -0.061 nan 4.420 nan 0.000 0.233 330 P C 0.582 177.873 177.300 -0.016 0.000 1.167 330 P CA 1.203 64.308 63.100 0.009 0.000 0.770 330 P CB -0.097 31.629 31.700 0.043 0.000 0.837 331 D N -0.264 120.148 120.400 0.021 0.000 2.277 331 D HA -0.038 4.602 4.640 0.001 0.000 0.208 331 D C 1.514 177.818 176.300 0.006 0.000 0.962 331 D CA 0.925 54.940 54.000 0.026 0.000 0.865 331 D CB 0.066 40.902 40.800 0.059 0.000 0.939 331 D HN 0.155 nan 8.370 nan 0.000 0.510 332 K N 0.048 120.438 120.400 -0.017 0.000 2.373 332 K HA 0.222 4.542 4.320 0.001 0.000 0.200 332 K C -0.172 176.366 176.600 -0.102 0.000 1.054 332 K CA 0.035 56.313 56.287 -0.015 0.000 1.065 332 K CB 2.365 34.951 32.500 0.144 0.000 0.886 332 K HN -0.050 nan 8.250 nan 0.000 0.546 333 V N 0.949 120.724 119.914 -0.231 0.000 2.686 333 V HA 0.605 4.725 4.120 0.001 0.000 0.306 333 V C -1.038 175.007 176.094 -0.083 0.000 1.065 333 V CA -1.276 60.895 62.300 -0.215 0.000 0.894 333 V CB 1.872 33.280 31.823 -0.692 0.000 1.004 333 V HN 0.112 nan 8.190 nan 0.000 0.424 334 A N 5.455 128.277 122.820 0.004 0.000 2.343 334 A HA 0.916 5.236 4.320 0.001 0.000 0.316 334 A C -0.924 176.723 177.584 0.106 0.000 1.104 334 A CA -0.506 51.560 52.037 0.048 0.000 0.768 334 A CB 0.953 19.923 19.000 -0.050 0.000 1.213 334 A HN 0.769 nan 8.150 nan 0.000 0.456 335 I N 1.761 122.425 120.570 0.157 0.000 2.362 335 I HA 0.312 4.482 4.170 0.001 0.000 0.289 335 I C -0.244 175.999 176.117 0.210 0.000 0.994 335 I CA -0.486 60.916 61.300 0.169 0.000 1.158 335 I CB 1.885 39.955 38.000 0.116 0.000 1.315 335 I HN 0.720 nan 8.210 nan 0.000 0.451 336 Q N 7.117 127.063 119.800 0.244 0.000 2.347 336 Q HA 0.491 4.831 4.340 0.001 0.000 0.262 336 Q C -1.455 174.660 176.000 0.192 0.000 0.980 336 Q CA -0.300 55.708 55.803 0.341 0.000 0.867 336 Q CB 1.257 30.359 28.738 0.607 0.000 1.242 336 Q HN 0.580 nan 8.270 nan 0.000 0.453 337 L N 3.756 125.091 121.223 0.188 0.000 2.260 337 L HA 0.402 4.742 4.340 0.001 0.000 0.289 337 L C 0.037 176.987 176.870 0.135 0.000 1.057 337 L CA -0.743 54.176 54.840 0.131 0.000 0.811 337 L CB 0.686 42.846 42.059 0.167 0.000 1.184 337 L HN 0.584 nan 8.230 nan 0.000 0.429 338 N N 4.593 123.293 118.700 -0.001 0.000 2.439 338 N HA 0.077 4.817 4.740 0.001 0.000 0.243 338 N C -0.184 175.348 175.510 0.036 0.000 1.088 338 N CA 0.441 53.526 53.050 0.059 0.000 0.940 338 N CB 0.043 38.418 38.487 -0.187 0.000 1.180 338 N HN 0.631 nan 8.380 nan 0.000 0.505 339 D N 0.124 120.644 120.400 0.200 0.000 4.658 339 D HA -0.222 4.419 4.640 0.001 0.000 0.304 339 D C 0.155 176.524 176.300 0.115 0.000 2.363 339 D CA 1.436 55.497 54.000 0.102 0.000 1.179 339 D CB -0.385 40.131 40.800 -0.474 0.000 1.091 339 D HN 0.541 nan 8.370 nan 0.000 1.274 340 T N -2.145 112.436 114.554 0.045 0.000 3.148 340 T HA 0.065 4.415 4.350 0.001 0.000 0.253 340 T C 1.578 176.349 174.700 0.118 0.000 1.134 340 T CA 1.435 63.544 62.100 0.015 0.000 1.051 340 T CB -0.542 68.291 68.868 -0.058 0.000 0.959 340 T HN 0.495 nan 8.240 nan 0.000 0.525 341 H N 2.608 121.770 119.070 0.153 0.000 2.390 341 H HA -0.025 4.532 4.556 0.000 0.000 0.298 341 H C -0.784 174.640 175.328 0.160 0.000 1.106 341 H CA 1.139 57.293 56.048 0.175 0.000 1.297 341 H CB -0.926 28.938 29.762 0.170 0.000 1.375 341 H HN 0.450 nan 8.280 nan 0.000 0.509 342 P HA 0.095 nan 4.420 nan 0.000 0.266 342 P C 0.752 178.108 177.300 0.094 0.000 1.561 342 P CA 0.379 63.566 63.100 0.145 0.000 1.089 342 P CB 0.482 32.253 31.700 0.118 0.000 1.534 343 S N 0.077 115.823 115.700 0.078 0.000 2.419 343 S HA -0.155 4.316 4.470 0.001 0.000 0.235 343 S C 1.822 176.439 174.600 0.028 0.000 1.019 343 S CA 0.866 59.074 58.200 0.013 0.000 0.982 343 S CB -1.587 61.587 63.200 -0.043 0.000 0.789 343 S HN 0.143 nan 8.310 nan 0.000 0.490 344 L N 1.118 122.375 121.223 0.056 0.000 2.447 344 L HA -0.043 4.297 4.340 0.001 0.000 0.225 344 L C 2.955 179.875 176.870 0.083 0.000 1.148 344 L CA 0.700 55.574 54.840 0.057 0.000 0.808 344 L CB -0.808 41.282 42.059 0.052 0.000 0.928 344 L HN 0.486 nan 8.230 nan 0.000 0.448 345 A N 0.413 123.266 122.820 0.054 0.000 2.024 345 A HA -0.200 4.120 4.320 0.001 0.000 0.220 345 A C 2.179 179.779 177.584 0.027 0.000 1.164 345 A CA 1.475 53.532 52.037 0.032 0.000 0.643 345 A CB -0.483 18.526 19.000 0.015 0.000 0.806 345 A HN 0.390 nan 8.150 nan 0.000 0.451 346 I N 0.260 120.847 120.570 0.028 0.000 2.133 346 I HA -0.141 4.029 4.170 0.001 0.000 0.238 346 I C -0.299 175.850 176.117 0.055 0.000 1.074 346 I CA 1.541 62.855 61.300 0.023 0.000 1.342 346 I CB -0.969 37.046 38.000 0.025 0.000 1.053 346 I HN 0.241 nan 8.210 nan 0.000 0.404 347 P HA -0.172 nan 4.420 nan 0.000 0.219 347 P C 1.288 178.628 177.300 0.067 0.000 1.150 347 P CA 1.500 64.647 63.100 0.079 0.000 0.814 347 P CB 0.014 31.780 31.700 0.111 0.000 0.787 348 E N 0.295 120.613 120.200 0.197 0.000 2.110 348 E HA -0.164 4.186 4.350 0.001 0.000 0.193 348 E C 1.935 178.539 176.600 0.006 0.000 0.988 348 E CA 0.713 57.241 56.400 0.213 0.000 0.804 348 E CB -1.174 28.694 29.700 0.280 0.000 0.745 348 E HN 0.015 nan 8.360 nan 0.000 0.458 349 L N -0.099 121.095 121.223 -0.048 0.000 2.056 349 L HA -0.087 4.253 4.340 0.001 0.000 0.207 349 L C 2.052 178.789 176.870 -0.221 0.000 1.078 349 L CA 1.706 56.456 54.840 -0.150 0.000 0.749 349 L CB -0.458 41.511 42.059 -0.149 0.000 0.901 349 L HN 0.235 nan 8.230 nan 0.000 0.433 350 M N -0.839 118.646 119.600 -0.191 0.000 2.132 350 M HA -0.184 4.296 4.480 0.001 0.000 0.263 350 M C 2.425 178.574 176.300 -0.251 0.000 1.065 350 M CA 1.482 56.616 55.300 -0.276 0.000 1.122 350 M CB -1.191 31.217 32.600 -0.321 0.000 1.365 350 M HN 0.335 nan 8.290 nan 0.000 0.411 351 R N 0.189 120.564 120.500 -0.209 0.000 2.091 351 R HA -0.128 4.212 4.340 0.001 0.000 0.238 351 R C 2.048 178.248 176.300 -0.166 0.000 1.136 351 R CA 1.562 57.539 56.100 -0.206 0.000 0.959 351 R CB -0.140 29.982 30.300 -0.297 0.000 0.856 351 R HN 0.195 nan 8.270 nan 0.000 0.437 352 V N 1.347 121.161 119.914 -0.167 0.000 2.307 352 V HA -0.240 3.880 4.120 0.001 0.000 0.245 352 V C 2.398 178.330 176.094 -0.271 0.000 1.045 352 V CA 1.696 63.889 62.300 -0.178 0.000 1.024 352 V CB -0.380 31.339 31.823 -0.174 0.000 0.651 352 V HN 0.342 nan 8.190 nan 0.000 0.449 353 L N -0.675 120.323 121.223 -0.375 0.000 2.046 353 L HA -0.137 4.204 4.340 0.001 0.000 0.208 353 L C 2.365 179.035 176.870 -0.334 0.000 1.077 353 L CA 1.131 55.672 54.840 -0.499 0.000 0.747 353 L CB -0.587 41.133 42.059 -0.566 0.000 0.896 353 L HN 0.208 nan 8.230 nan 0.000 0.432 354 V N -0.609 119.163 119.914 -0.236 0.000 2.300 354 V HA -0.167 3.953 4.120 0.001 0.000 0.241 354 V C 1.985 178.027 176.094 -0.086 0.000 1.034 354 V CA 1.604 63.828 62.300 -0.127 0.000 1.021 354 V CB -0.332 31.458 31.823 -0.056 0.000 0.662 354 V HN 0.339 nan 8.190 nan 0.000 0.458 355 D N 0.128 120.477 120.400 -0.084 0.000 2.144 355 D HA -0.055 4.586 4.640 0.001 0.000 0.200 355 D C 1.996 178.262 176.300 -0.057 0.000 0.978 355 D CA 1.270 55.238 54.000 -0.055 0.000 0.833 355 D CB 0.037 40.806 40.800 -0.052 0.000 0.961 355 D HN 0.348 nan 8.370 nan 0.000 0.470 356 L N 0.101 121.274 121.223 -0.084 0.000 2.362 356 L HA 0.123 4.464 4.340 0.001 0.000 0.204 356 L C 1.864 178.688 176.870 -0.077 0.000 1.060 356 L CA 0.417 55.215 54.840 -0.069 0.000 0.827 356 L CB -0.017 42.002 42.059 -0.068 0.000 1.027 356 L HN -0.190 nan 8.230 nan 0.000 0.474 357 E N 0.437 120.550 120.200 -0.145 0.000 2.442 357 E HA 0.020 4.370 4.350 0.001 0.000 0.195 357 E C 0.119 176.655 176.600 -0.107 0.000 1.030 357 E CA -0.041 56.272 56.400 -0.145 0.000 0.869 357 E CB 0.330 29.810 29.700 -0.366 0.000 0.857 357 E HN 0.199 nan 8.360 nan 0.000 0.505 358 R N -0.128 120.313 120.500 -0.099 0.000 3.776 358 R HA -0.157 4.184 4.340 0.001 0.000 0.312 358 R C 0.014 176.280 176.300 -0.056 0.000 1.181 358 R CA 0.343 56.410 56.100 -0.055 0.000 0.836 358 R CB -2.782 27.506 30.300 -0.021 0.000 1.324 358 R HN 0.226 nan 8.270 nan 0.000 0.501 359 L N 1.970 123.127 121.223 -0.110 0.000 2.453 359 L HA 0.155 4.495 4.340 0.001 0.000 0.261 359 L C 1.460 178.309 176.870 -0.035 0.000 1.179 359 L CA -0.146 54.641 54.840 -0.088 0.000 0.813 359 L CB 0.405 42.359 42.059 -0.176 0.000 1.110 359 L HN 0.130 nan 8.230 nan 0.000 0.466 360 D N 0.315 120.720 120.400 0.009 0.000 2.344 360 D HA -0.114 4.526 4.640 0.001 0.000 0.244 360 D C 0.843 177.204 176.300 0.103 0.000 1.134 360 D CA -0.567 53.475 54.000 0.070 0.000 0.930 360 D CB 1.245 42.094 40.800 0.082 0.000 1.175 360 D HN 0.664 nan 8.370 nan 0.000 0.437 361 W N 2.030 123.325 121.300 -0.007 0.000 2.301 361 W HA -0.257 4.403 4.660 0.001 0.000 0.325 361 W C 1.053 177.611 176.519 0.065 0.000 1.250 361 W CA 2.076 59.426 57.345 0.009 0.000 1.261 361 W CB -0.395 29.052 29.460 -0.020 0.000 1.157 361 W HN 0.451 nan 8.180 nan 0.000 0.473 362 D N 0.385 120.989 120.400 0.340 0.000 2.106 362 D HA -0.237 4.404 4.640 0.001 0.000 0.191 362 D C 1.892 178.280 176.300 0.147 0.000 0.997 362 D CA 2.392 56.556 54.000 0.272 0.000 0.834 362 D CB -0.578 40.354 40.800 0.220 0.000 0.956 362 D HN 0.088 nan 8.370 nan 0.000 0.448 363 K N 1.313 121.762 120.400 0.082 0.000 2.057 363 K HA -0.035 4.285 4.320 0.001 0.000 0.207 363 K C 1.832 178.411 176.600 -0.034 0.000 1.049 363 K CA 1.585 57.892 56.287 0.033 0.000 0.931 363 K CB -0.609 31.906 32.500 0.024 0.000 0.714 363 K HN 0.023 nan 8.250 nan 0.000 0.440 364 A N 0.509 123.268 122.820 -0.101 0.000 1.902 364 A HA -0.178 4.143 4.320 0.001 0.000 0.217 364 A C 2.259 179.734 177.584 -0.182 0.000 1.181 364 A CA 1.482 53.389 52.037 -0.216 0.000 0.623 364 A CB -1.189 17.623 19.000 -0.315 0.000 0.818 364 A HN 0.707 nan 8.150 nan 0.000 0.443 365 W N 0.694 121.773 121.300 -0.368 0.000 2.388 365 W HA -0.135 4.525 4.660 0.001 0.000 0.294 365 W C 1.916 178.369 176.519 -0.110 0.000 1.212 365 W CA 1.602 58.774 57.345 -0.287 0.000 1.271 365 W CB -0.089 29.220 29.460 -0.251 0.000 1.126 365 W HN 0.634 nan 8.180 nan 0.000 0.535 366 E N 0.291 120.470 120.200 -0.035 0.000 2.058 366 E HA -0.244 4.107 4.350 0.001 0.000 0.194 366 E C 2.032 178.550 176.600 -0.137 0.000 0.997 366 E CA 2.177 58.531 56.400 -0.077 0.000 0.801 366 E CB -0.395 29.315 29.700 0.016 0.000 0.746 366 E HN 0.050 nan 8.360 nan 0.000 0.450 367 V N 0.672 120.518 119.914 -0.113 0.000 2.295 367 V HA -0.253 3.867 4.120 0.001 0.000 0.246 367 V C 2.436 178.455 176.094 -0.124 0.000 1.049 367 V CA 2.205 64.459 62.300 -0.076 0.000 1.024 367 V CB -0.759 31.007 31.823 -0.096 0.000 0.648 367 V HN 0.406 nan 8.190 nan 0.000 0.447 368 T N 0.020 114.421 114.554 -0.254 0.000 2.652 368 T HA -0.184 4.166 4.350 0.001 0.000 0.267 368 T C 1.933 176.433 174.700 -0.333 0.000 1.039 368 T CA 1.807 63.729 62.100 -0.296 0.000 1.153 368 T CB -0.293 68.341 68.868 -0.392 0.000 0.863 368 T HN 0.271 nan 8.240 nan 0.000 0.428 369 V N 1.334 120.923 119.914 -0.541 0.000 2.407 369 V HA -0.157 3.963 4.120 0.001 0.000 0.248 369 V C 2.321 178.371 176.094 -0.074 0.000 1.055 369 V CA 1.606 63.667 62.300 -0.399 0.000 1.049 369 V CB -0.485 31.034 31.823 -0.507 0.000 0.662 369 V HN 0.469 nan 8.190 nan 0.000 0.455 370 K N -0.491 119.859 120.400 -0.084 0.000 2.365 370 K HA -0.068 4.252 4.320 0.001 0.000 0.199 370 K C 2.082 178.698 176.600 0.027 0.000 1.045 370 K CA 1.412 57.657 56.287 -0.069 0.000 0.962 370 K CB -0.180 32.264 32.500 -0.093 0.000 0.759 370 K HN 0.462 nan 8.250 nan 0.000 0.469 371 T N 0.272 114.877 114.554 0.085 0.000 2.894 371 T HA 0.006 4.357 4.350 0.001 0.000 0.258 371 T C 0.975 175.797 174.700 0.203 0.000 1.043 371 T CA 0.447 62.632 62.100 0.141 0.000 1.141 371 T CB 0.069 69.049 68.868 0.188 0.000 0.873 371 T HN 0.171 nan 8.240 nan 0.000 0.449 372 C N 2.036 121.430 119.300 0.158 0.000 2.370 372 C HA 0.886 5.346 4.460 0.001 0.000 0.354 372 C C 0.541 175.586 174.990 0.092 0.000 1.218 372 C CA -1.168 57.924 59.018 0.123 0.000 2.154 372 C CB 0.348 28.100 27.740 0.020 0.000 2.391 372 C HN 0.599 nan 8.230 nan 0.000 0.540 373 A N 1.563 124.436 122.820 0.088 0.000 2.549 373 A HA 0.725 5.046 4.320 0.001 0.000 0.297 373 A C -1.659 176.005 177.584 0.133 0.000 1.061 373 A CA -0.364 51.669 52.037 -0.007 0.000 0.690 373 A CB 1.069 20.041 19.000 -0.047 0.000 1.287 373 A HN 0.905 nan 8.150 nan 0.000 0.402 374 Y N 1.044 121.294 120.300 -0.082 0.000 2.393 374 Y HA 0.704 5.254 4.550 0.001 0.000 0.341 374 Y C -0.492 175.385 175.900 -0.039 0.000 0.988 374 Y CA -0.627 57.439 58.100 -0.057 0.000 1.078 374 Y CB 2.041 40.417 38.460 -0.139 0.000 1.203 374 Y HN 0.555 nan 8.280 nan 0.000 0.453 375 T N 6.915 121.287 114.554 -0.303 0.000 2.770 375 T HA 0.233 4.583 4.350 0.001 0.000 0.283 375 T C -0.777 173.473 174.700 -0.751 0.000 0.988 375 T CA -0.808 61.018 62.100 -0.455 0.000 0.957 375 T CB 0.303 69.117 68.868 -0.090 0.000 0.930 375 T HN 0.656 nan 8.240 nan 0.000 0.443 376 N N 1.865 120.096 118.700 -0.781 0.000 2.456 376 N HA 0.141 4.881 4.740 0.001 0.000 0.288 376 N C -0.075 175.347 175.510 -0.147 0.000 1.059 376 N CA -0.336 52.498 53.050 -0.360 0.000 0.946 376 N CB 0.766 39.152 38.487 -0.170 0.000 1.150 376 N HN 0.685 nan 8.380 nan 0.000 0.479 377 H N 1.093 120.216 119.070 0.088 0.000 2.785 377 H HA 0.159 4.715 4.556 0.000 0.000 0.268 377 H C -0.159 175.095 175.328 -0.123 0.000 1.153 377 H CA -0.150 55.891 56.048 -0.012 0.000 1.111 377 H CB 0.822 30.579 29.762 -0.008 0.000 1.633 377 H HN 0.634 nan 8.280 nan 0.000 0.576 378 T N -2.006 112.604 114.554 0.094 0.000 2.865 378 T HA 0.403 4.753 4.350 0.001 0.000 0.294 378 T C 0.989 175.730 174.700 0.068 0.000 1.119 378 T CA -0.316 61.791 62.100 0.012 0.000 1.007 378 T CB 2.085 70.995 68.868 0.069 0.000 1.225 378 T HN -0.056 nan 8.240 nan 0.000 0.515 379 V N -2.276 117.615 119.914 -0.037 0.000 3.431 379 V HA 0.486 4.607 4.120 0.001 0.000 0.255 379 V C 0.541 176.614 176.094 -0.036 0.000 1.403 379 V CA -0.317 61.975 62.300 -0.014 0.000 1.101 379 V CB -0.211 31.591 31.823 -0.035 0.000 0.891 379 V HN 0.755 nan 8.190 nan 0.000 0.446 380 I N 2.771 123.309 120.570 -0.053 0.000 2.588 380 I HA 0.247 4.418 4.170 0.001 0.000 0.283 380 I C -1.143 174.987 176.117 0.021 0.000 1.119 380 I CA -1.910 59.393 61.300 0.004 0.000 1.419 380 I CB 1.126 39.130 38.000 0.007 0.000 1.394 380 I HN 0.110 nan 8.210 nan 0.000 0.562 381 P HA -0.161 nan 4.420 nan 0.000 0.216 381 P C 1.120 178.427 177.300 0.012 0.000 1.150 381 P CA 1.051 64.155 63.100 0.006 0.000 0.837 381 P CB 0.093 31.799 31.700 0.009 0.000 0.786 382 E N -0.183 120.052 120.200 0.059 0.000 2.511 382 E HA -0.005 4.346 4.350 0.001 0.000 0.196 382 E C 1.347 177.956 176.600 0.015 0.000 1.066 382 E CA 0.768 57.197 56.400 0.050 0.000 0.871 382 E CB -0.608 29.190 29.700 0.163 0.000 0.863 382 E HN 0.148 nan 8.360 nan 0.000 0.520 383 A N 1.099 123.951 122.820 0.053 0.000 2.178 383 A HA 0.227 4.547 4.320 0.001 0.000 0.211 383 A C 1.233 178.824 177.584 0.012 0.000 1.157 383 A CA -0.212 51.867 52.037 0.070 0.000 0.780 383 A CB -0.075 18.980 19.000 0.091 0.000 0.828 383 A HN 0.175 nan 8.150 nan 0.000 0.476 384 L N 1.082 122.264 121.223 -0.069 0.000 2.371 384 L HA 0.199 4.539 4.340 0.001 0.000 0.272 384 L C -0.029 176.516 176.870 -0.542 0.000 1.124 384 L CA -0.412 54.324 54.840 -0.174 0.000 0.816 384 L CB 0.915 42.902 42.059 -0.120 0.000 1.129 384 L HN 0.289 nan 8.230 nan 0.000 0.448 385 E N 3.821 123.566 120.200 -0.757 0.000 2.217 385 E HA 0.179 4.529 4.350 0.001 0.000 0.279 385 E C -0.685 175.208 176.600 -1.179 0.000 1.068 385 E CA -0.040 55.411 56.400 -1.581 0.000 0.882 385 E CB 0.597 29.771 29.700 -0.876 0.000 1.039 385 E HN 0.388 nan 8.360 nan 0.000 0.418 386 R N 3.899 123.570 120.500 -1.382 0.000 2.472 386 R HA 0.205 4.545 4.340 0.001 0.000 0.294 386 R C -1.231 174.854 176.300 -0.359 0.000 1.243 386 R CA -0.537 55.220 56.100 -0.571 0.000 1.023 386 R CB 0.836 30.949 30.300 -0.311 0.000 1.157 386 R HN 0.448 nan 8.270 nan 0.000 0.530 387 W N 4.141 125.388 121.300 -0.088 0.000 2.316 387 W HA 0.298 4.958 4.660 0.000 0.000 0.311 387 W C -1.911 174.570 176.519 -0.064 0.000 1.217 387 W CA -2.310 55.038 57.345 0.005 0.000 1.199 387 W CB 0.871 30.313 29.460 -0.029 0.000 1.202 387 W HN 0.236 nan 8.180 nan 0.000 0.528 388 P HA -0.146 nan 4.420 nan 0.000 0.264 388 P C 0.899 178.140 177.300 -0.098 0.000 1.183 388 P CA 0.326 63.378 63.100 -0.079 0.000 0.763 388 P CB 0.566 32.010 31.700 -0.427 0.000 0.807 389 V N 2.680 122.581 119.914 -0.021 0.000 2.490 389 V HA -0.288 3.832 4.120 0.001 0.000 0.250 389 V C 2.013 178.125 176.094 0.030 0.000 1.061 389 V CA 2.001 64.313 62.300 0.021 0.000 1.064 389 V CB -1.778 30.119 31.823 0.123 0.000 0.670 389 V HN 0.697 nan 8.190 nan 0.000 0.461 390 H N 0.088 119.218 119.070 0.099 0.000 2.353 390 H HA -0.132 4.425 4.556 0.001 0.000 0.300 390 H C 2.240 177.616 175.328 0.080 0.000 1.090 390 H CA 1.930 58.031 56.048 0.090 0.000 1.327 390 H CB -0.367 29.448 29.762 0.088 0.000 1.383 390 H HN 0.482 nan 8.280 nan 0.000 0.508 391 L N 1.411 122.519 121.223 -0.191 0.000 2.046 391 L HA -0.081 4.260 4.340 0.001 0.000 0.208 391 L C 2.579 179.419 176.870 -0.051 0.000 1.077 391 L CA 1.210 56.031 54.840 -0.032 0.000 0.747 391 L CB -0.919 41.081 42.059 -0.099 0.000 0.896 391 L HN 0.258 nan 8.230 nan 0.000 0.432 392 L N -0.651 120.513 121.223 -0.097 0.000 2.083 392 L HA -0.215 4.125 4.340 0.001 0.000 0.209 392 L C 2.570 179.389 176.870 -0.084 0.000 1.083 392 L CA 1.597 56.353 54.840 -0.140 0.000 0.752 392 L CB -0.483 41.486 42.059 -0.151 0.000 0.899 392 L HN 0.424 nan 8.230 nan 0.000 0.433 393 E N -0.494 119.701 120.200 -0.009 0.000 2.077 393 E HA -0.207 4.143 4.350 0.001 0.000 0.193 393 E C 1.936 178.581 176.600 0.076 0.000 0.989 393 E CA 1.837 58.261 56.400 0.040 0.000 0.800 393 E CB 0.140 29.903 29.700 0.105 0.000 0.746 393 E HN 0.389 nan 8.360 nan 0.000 0.452 394 T N 0.872 115.497 114.554 0.117 0.000 2.732 394 T HA -0.109 4.241 4.350 0.001 0.000 0.261 394 T C 1.737 176.563 174.700 0.211 0.000 1.040 394 T CA 1.001 63.220 62.100 0.199 0.000 1.145 394 T CB -0.212 68.803 68.868 0.246 0.000 0.866 394 T HN 0.097 nan 8.240 nan 0.000 0.427 395 L N -0.137 121.114 121.223 0.046 0.000 2.179 395 L HA 0.317 4.657 4.340 0.001 0.000 0.208 395 L C 0.449 177.269 176.870 -0.084 0.000 1.096 395 L CA 1.558 56.298 54.840 -0.166 0.000 0.779 395 L CB 0.051 41.955 42.059 -0.258 0.000 0.922 395 L HN 0.192 nan 8.230 nan 0.000 0.443 396 L N 0.480 121.625 121.223 -0.130 0.000 2.527 396 L HA 0.253 4.593 4.340 0.001 0.000 0.261 396 L C -1.709 174.993 176.870 -0.280 0.000 1.534 396 L CA -0.762 53.915 54.840 -0.273 0.000 0.757 396 L CB 1.027 42.800 42.059 -0.477 0.000 0.999 396 L HN -0.079 nan 8.230 nan 0.000 0.517 397 P HA -0.206 nan 4.420 nan 0.000 0.216 397 P C 1.392 178.494 177.300 -0.330 0.000 1.150 397 P CA 1.154 64.139 63.100 -0.191 0.000 0.837 397 P CB 0.374 32.040 31.700 -0.057 0.000 0.786 398 R N -0.257 119.839 120.500 -0.674 0.000 2.115 398 R HA -0.109 4.231 4.340 0.001 0.000 0.226 398 R C 2.229 178.206 176.300 -0.538 0.000 1.100 398 R CA 1.479 57.206 56.100 -0.620 0.000 0.980 398 R CB -1.548 28.220 30.300 -0.887 0.000 0.875 398 R HN 0.235 nan 8.270 nan 0.000 0.445 399 H N -0.705 118.055 119.070 -0.517 0.000 2.389 399 H HA -0.032 4.524 4.556 0.000 0.000 0.299 399 H C 1.511 176.675 175.328 -0.273 0.000 1.081 399 H CA 1.550 57.382 56.048 -0.361 0.000 1.345 399 H CB -0.084 29.428 29.762 -0.417 0.000 1.393 399 H HN 0.105 nan 8.280 nan 0.000 0.520 400 L N 0.854 121.965 121.223 -0.188 0.000 2.093 400 L HA -0.174 4.166 4.340 0.001 0.000 0.208 400 L C 1.876 178.597 176.870 -0.249 0.000 1.085 400 L CA 1.559 56.233 54.840 -0.277 0.000 0.755 400 L CB -0.454 41.457 42.059 -0.247 0.000 0.904 400 L HN 0.271 nan 8.230 nan 0.000 0.435 401 Q N -0.586 119.159 119.800 -0.090 0.000 2.061 401 Q HA -0.219 4.122 4.340 0.001 0.000 0.204 401 Q C 2.289 178.313 176.000 0.041 0.000 0.984 401 Q CA 2.146 57.976 55.803 0.046 0.000 0.846 401 Q CB -0.284 28.480 28.738 0.044 0.000 0.902 401 Q HN 0.559 nan 8.270 nan 0.000 0.421 402 I N 0.364 120.930 120.570 -0.006 0.000 2.226 402 I HA -0.272 3.898 4.170 0.001 0.000 0.245 402 I C 2.174 178.355 176.117 0.108 0.000 1.100 402 I CA 1.040 62.408 61.300 0.114 0.000 1.374 402 I CB -0.177 37.844 38.000 0.034 0.000 1.057 402 I HN 0.183 nan 8.210 nan 0.000 0.413 403 I N -0.441 120.116 120.570 -0.021 0.000 2.286 403 I HA -0.314 3.857 4.170 0.001 0.000 0.248 403 I C 2.331 178.450 176.117 0.003 0.000 1.115 403 I CA 1.445 62.720 61.300 -0.042 0.000 1.392 403 I CB -0.307 37.600 38.000 -0.154 0.000 1.065 403 I HN 0.152 nan 8.210 nan 0.000 0.418 404 Y N 0.584 120.888 120.300 0.007 0.000 2.242 404 Y HA -0.246 4.304 4.550 0.001 0.000 0.291 404 Y C 2.562 178.430 175.900 -0.053 0.000 1.137 404 Y CA 1.379 59.471 58.100 -0.014 0.000 1.181 404 Y CB -0.648 37.797 38.460 -0.026 0.000 0.989 404 Y HN 0.171 nan 8.280 nan 0.000 0.527 405 E N 0.486 120.719 120.200 0.056 0.000 2.072 405 E HA -0.152 4.199 4.350 0.001 0.000 0.191 405 E C 2.056 178.582 176.600 -0.123 0.000 0.985 405 E CA 1.304 57.604 56.400 -0.167 0.000 0.801 405 E CB -0.556 28.869 29.700 -0.458 0.000 0.750 405 E HN 0.470 nan 8.360 nan 0.000 0.452 406 I N 0.708 121.303 120.570 0.042 0.000 2.163 406 I HA -0.311 3.859 4.170 0.001 0.000 0.243 406 I C 2.276 178.398 176.117 0.009 0.000 1.085 406 I CA 1.495 62.768 61.300 -0.045 0.000 1.347 406 I CB -0.382 37.582 38.000 -0.060 0.000 1.044 406 I HN 0.215 nan 8.210 nan 0.000 0.408 407 N N 0.522 119.272 118.700 0.084 0.000 2.084 407 N HA -0.267 4.474 4.740 0.001 0.000 0.190 407 N C 1.832 177.428 175.510 0.144 0.000 1.030 407 N CA 1.469 54.618 53.050 0.166 0.000 0.849 407 N CB -0.121 38.480 38.487 0.190 0.000 1.012 407 N HN 0.204 nan 8.380 nan 0.000 0.423 408 Q N 0.600 120.434 119.800 0.057 0.000 2.084 408 Q HA -0.012 4.328 4.340 0.001 0.000 0.202 408 Q C 1.903 177.896 176.000 -0.012 0.000 0.978 408 Q CA 1.621 57.425 55.803 0.002 0.000 0.844 408 Q CB -0.070 28.630 28.738 -0.063 0.000 0.898 408 Q HN 0.369 nan 8.270 nan 0.000 0.426 409 R N -1.223 119.254 120.500 -0.039 0.000 2.090 409 R HA -0.049 4.291 4.340 0.001 0.000 0.228 409 R C 2.055 178.397 176.300 0.070 0.000 1.110 409 R CA 1.135 57.216 56.100 -0.032 0.000 0.973 409 R CB -0.379 29.861 30.300 -0.100 0.000 0.869 409 R HN 0.274 nan 8.270 nan 0.000 0.440 410 F N 1.356 121.296 119.950 -0.016 0.000 2.146 410 F HA -0.050 4.477 4.527 0.000 0.000 0.298 410 F C 1.757 177.587 175.800 0.050 0.000 1.096 410 F CA 1.230 59.266 58.000 0.060 0.000 1.275 410 F CB -0.042 39.025 39.000 0.112 0.000 1.008 410 F HN -0.118 nan 8.300 nan 0.000 0.480 411 L N 0.015 121.270 121.223 0.054 0.000 2.217 411 L HA -0.194 4.146 4.340 0.001 0.000 0.211 411 L C 1.976 178.793 176.870 -0.088 0.000 1.107 411 L CA 0.692 55.495 54.840 -0.062 0.000 0.783 411 L CB -0.762 41.319 42.059 0.035 0.000 0.919 411 L HN 0.138 nan 8.230 nan 0.000 0.442 412 N N 0.575 119.241 118.700 -0.056 0.000 2.166 412 N HA -0.146 4.594 4.740 0.001 0.000 0.186 412 N C 1.875 177.339 175.510 -0.077 0.000 1.019 412 N CA 1.161 54.177 53.050 -0.057 0.000 0.856 412 N CB -0.174 38.287 38.487 -0.044 0.000 0.993 412 N HN 0.317 nan 8.380 nan 0.000 0.426 413 R N 0.189 120.628 120.500 -0.102 0.000 2.092 413 R HA 0.029 4.369 4.340 0.001 0.000 0.231 413 R C 2.093 178.298 176.300 -0.159 0.000 1.119 413 R CA 0.739 56.771 56.100 -0.112 0.000 0.970 413 R CB -0.461 29.788 30.300 -0.084 0.000 0.864 413 R HN 0.029 nan 8.270 nan 0.000 0.440 414 V N 1.331 121.094 119.914 -0.253 0.000 2.295 414 V HA -0.259 3.862 4.120 0.001 0.000 0.246 414 V C 2.484 178.566 176.094 -0.021 0.000 1.049 414 V CA 2.050 64.260 62.300 -0.152 0.000 1.024 414 V CB -0.761 30.913 31.823 -0.248 0.000 0.648 414 V HN 0.419 nan 8.190 nan 0.000 0.447 415 A N -0.212 122.577 122.820 -0.051 0.000 1.972 415 A HA -0.091 4.230 4.320 0.001 0.000 0.219 415 A C 2.335 179.898 177.584 -0.035 0.000 1.169 415 A CA 2.075 54.099 52.037 -0.023 0.000 0.635 415 A CB -0.604 18.376 19.000 -0.034 0.000 0.810 415 A HN 0.589 nan 8.150 nan 0.000 0.446 416 A N -0.699 122.083 122.820 -0.064 0.000 1.970 416 A HA 0.385 4.705 4.320 0.001 0.000 0.216 416 A C 2.348 179.848 177.584 -0.139 0.000 1.170 416 A CA 1.458 53.447 52.037 -0.081 0.000 0.645 416 A CB -0.617 18.341 19.000 -0.071 0.000 0.816 416 A HN 0.906 nan 8.150 nan 0.000 0.447 417 A N -1.445 121.254 122.820 -0.202 0.000 1.970 417 A HA 0.344 4.664 4.320 0.001 0.000 0.216 417 A C 0.462 177.619 177.584 -0.712 0.000 1.170 417 A CA 0.602 52.366 52.037 -0.456 0.000 0.645 417 A CB -0.210 18.460 19.000 -0.549 0.000 0.816 417 A HN 0.416 nan 8.150 nan 0.000 0.447 418 F N 0.047 119.951 119.950 -0.076 0.000 2.584 418 F HA 0.334 4.861 4.527 0.000 0.000 0.328 418 F C -2.772 172.992 175.800 -0.060 0.000 1.407 418 F CA -2.874 55.085 58.000 -0.068 0.000 1.145 418 F CB 0.865 39.816 39.000 -0.082 0.000 1.440 418 F HN -0.060 nan 8.300 nan 0.000 0.580 419 P HA 0.217 nan 4.420 nan 0.000 0.267 419 P C 1.003 178.322 177.300 0.031 0.000 1.209 419 P CA 0.886 63.997 63.100 0.020 0.000 0.763 419 P CB 0.955 32.647 31.700 -0.013 0.000 0.816 420 G N 2.470 111.283 108.800 0.020 0.000 2.199 420 G HA2 -0.231 3.729 3.960 0.001 0.000 0.254 420 G HA3 -0.231 3.729 3.960 0.001 0.000 0.254 420 G C 0.220 175.130 174.900 0.017 0.000 0.982 420 G CA -0.037 45.072 45.100 0.014 0.000 0.632 420 G HN 0.607 nan 8.290 nan 0.000 0.529 421 D N 1.179 121.599 120.400 0.032 0.000 2.508 421 D HA 0.455 5.095 4.640 0.001 0.000 0.224 421 D C 1.717 178.007 176.300 -0.016 0.000 1.171 421 D CA 0.101 54.103 54.000 0.004 0.000 1.006 421 D CB 0.648 41.446 40.800 -0.003 0.000 1.073 421 D HN 0.083 nan 8.370 nan 0.000 0.513 422 V N 2.825 122.731 119.914 -0.014 0.000 2.427 422 V HA -0.197 3.924 4.120 0.001 0.000 0.248 422 V C 1.961 178.043 176.094 -0.021 0.000 1.051 422 V CA 1.501 63.792 62.300 -0.014 0.000 1.048 422 V CB -0.301 31.517 31.823 -0.008 0.000 0.666 422 V HN 0.433 nan 8.190 nan 0.000 0.456 423 D N -0.257 120.126 120.400 -0.027 0.000 2.178 423 D HA -0.161 4.479 4.640 0.001 0.000 0.202 423 D C 2.335 178.606 176.300 -0.049 0.000 0.974 423 D CA 0.844 54.827 54.000 -0.027 0.000 0.841 423 D CB -0.104 40.681 40.800 -0.025 0.000 0.953 423 D HN 0.254 nan 8.370 nan 0.000 0.478 424 R N -0.111 120.337 120.500 -0.087 0.000 2.081 424 R HA -0.103 4.237 4.340 0.001 0.000 0.235 424 R C 2.199 178.430 176.300 -0.115 0.000 1.131 424 R CA 0.958 56.970 56.100 -0.146 0.000 0.960 424 R CB -0.246 29.909 30.300 -0.242 0.000 0.856 424 R HN 0.246 nan 8.270 nan 0.000 0.436 425 L N 0.227 121.409 121.223 -0.070 0.000 2.012 425 L HA -0.192 4.148 4.340 0.001 0.000 0.210 425 L C 2.927 179.800 176.870 0.006 0.000 1.073 425 L CA 1.775 56.593 54.840 -0.037 0.000 0.748 425 L CB -0.598 41.450 42.059 -0.019 0.000 0.891 425 L HN 0.273 nan 8.230 nan 0.000 0.431 426 R N 0.452 120.960 120.500 0.014 0.000 2.081 426 R HA -0.150 4.191 4.340 0.001 0.000 0.235 426 R C 2.480 178.827 176.300 0.078 0.000 1.131 426 R CA 1.372 57.500 56.100 0.048 0.000 0.960 426 R CB -0.069 30.252 30.300 0.035 0.000 0.856 426 R HN 0.297 nan 8.270 nan 0.000 0.436 427 R N -0.310 120.218 120.500 0.047 0.000 2.092 427 R HA -0.032 4.309 4.340 0.001 0.000 0.231 427 R C 2.224 178.593 176.300 0.115 0.000 1.119 427 R CA 1.680 57.831 56.100 0.085 0.000 0.970 427 R CB -0.119 30.192 30.300 0.020 0.000 0.864 427 R HN 0.323 nan 8.270 nan 0.000 0.440 428 M N 0.190 119.777 119.600 -0.021 0.000 2.514 428 M HA 0.033 4.513 4.480 0.001 0.000 0.258 428 M C 0.933 177.366 176.300 0.221 0.000 1.119 428 M CA 0.060 55.287 55.300 -0.122 0.000 1.111 428 M CB 0.299 32.672 32.600 -0.378 0.000 1.390 428 M HN -0.062 nan 8.290 nan 0.000 0.475 429 S N 0.867 116.717 115.700 0.250 0.000 2.561 429 S HA -0.036 4.434 4.470 0.001 0.000 0.294 429 S C 1.026 175.889 174.600 0.439 0.000 1.294 429 S CA -0.315 58.072 58.200 0.311 0.000 1.055 429 S CB 0.569 63.899 63.200 0.215 0.000 0.819 429 S HN 0.217 nan 8.310 nan 0.000 0.503 430 L N 5.121 126.552 121.223 0.346 0.000 2.291 430 L HA 0.118 4.459 4.340 0.001 0.000 0.214 430 L C 0.513 177.494 176.870 0.186 0.000 1.120 430 L CA 0.890 55.891 54.840 0.269 0.000 0.799 430 L CB -0.471 41.683 42.059 0.159 0.000 0.925 430 L HN 0.486 nan 8.230 nan 0.000 0.446 431 V N 0.486 120.520 119.914 0.201 0.000 2.385 431 V HA 0.172 4.292 4.120 0.001 0.000 0.269 431 V C 0.183 176.366 176.094 0.148 0.000 1.043 431 V CA -0.847 61.556 62.300 0.172 0.000 0.906 431 V CB 0.832 32.787 31.823 0.220 0.000 0.995 431 V HN 0.184 nan 8.190 nan 0.000 0.467 432 E N 3.115 123.379 120.200 0.108 0.000 2.216 432 E HA 0.424 4.774 4.350 0.001 0.000 0.279 432 E C -0.585 176.066 176.600 0.084 0.000 0.997 432 E CA -0.664 55.791 56.400 0.091 0.000 0.817 432 E CB 2.143 31.875 29.700 0.052 0.000 1.096 432 E HN 0.629 nan 8.360 nan 0.000 0.393 433 E N 0.940 121.187 120.200 0.079 0.000 2.345 433 E HA 0.548 4.898 4.350 0.001 0.000 0.259 433 E C -0.013 176.623 176.600 0.060 0.000 1.117 433 E CA 0.403 56.844 56.400 0.068 0.000 0.913 433 E CB 1.161 30.896 29.700 0.059 0.000 1.057 433 E HN 0.653 nan 8.360 nan 0.000 0.432 434 G N -0.236 108.598 108.800 0.057 0.000 2.369 434 G HA2 0.296 4.256 3.960 0.001 0.000 0.293 434 G HA3 0.296 4.256 3.960 0.001 0.000 0.293 434 G C 0.184 175.119 174.900 0.057 0.000 1.301 434 G CA 0.082 45.214 45.100 0.053 0.000 0.913 434 G HN 0.606 nan 8.290 nan 0.000 0.540 435 A N -1.185 121.668 122.820 0.055 0.000 1.908 435 A HA 0.363 4.683 4.320 0.001 0.000 0.218 435 A C 1.240 178.870 177.584 0.078 0.000 1.181 435 A CA 2.368 54.439 52.037 0.058 0.000 0.627 435 A CB -0.349 18.682 19.000 0.050 0.000 0.818 435 A HN 1.552 nan 8.150 nan 0.000 0.445 436 V N 1.188 121.156 119.914 0.090 0.000 2.357 436 V HA 0.210 4.330 4.120 0.001 0.000 0.284 436 V C -0.062 176.096 176.094 0.106 0.000 1.018 436 V CA -0.780 61.596 62.300 0.126 0.000 0.841 436 V CB 1.379 33.287 31.823 0.142 0.000 0.991 436 V HN 0.355 nan 8.190 nan 0.000 0.437 437 K N 4.480 124.950 120.400 0.115 0.000 2.326 437 K HA 0.568 4.889 4.320 0.001 0.000 0.275 437 K C -0.234 176.420 176.600 0.091 0.000 1.018 437 K CA -0.278 56.072 56.287 0.104 0.000 0.962 437 K CB 0.919 33.494 32.500 0.125 0.000 0.953 437 K HN 0.570 nan 8.250 nan 0.000 0.475 438 R N 1.622 122.166 120.500 0.074 0.000 2.808 438 R HA 0.447 4.787 4.340 0.001 0.000 0.272 438 R C -0.824 175.502 176.300 0.042 0.000 0.995 438 R CA -0.984 55.147 56.100 0.050 0.000 0.917 438 R CB 1.279 31.589 30.300 0.017 0.000 1.217 438 R HN 0.371 nan 8.270 nan 0.000 0.471 439 I N 2.035 122.624 120.570 0.032 0.000 2.315 439 I HA 0.138 4.308 4.170 0.001 0.000 0.291 439 I C -0.050 176.033 176.117 -0.056 0.000 1.006 439 I CA -0.638 60.667 61.300 0.008 0.000 1.265 439 I CB 0.974 38.978 38.000 0.006 0.000 1.387 439 I HN 0.502 nan 8.210 nan 0.000 0.475 440 N N 7.284 125.920 118.700 -0.108 0.000 2.402 440 N HA 0.090 4.830 4.740 0.001 0.000 0.252 440 N C 0.785 176.169 175.510 -0.211 0.000 1.118 440 N CA -0.310 52.587 53.050 -0.256 0.000 0.945 440 N CB 0.969 39.155 38.487 -0.502 0.000 1.147 440 N HN 0.382 nan 8.380 nan 0.000 0.495 441 M N 2.456 121.931 119.600 -0.208 0.000 2.296 441 M HA -0.047 4.433 4.480 0.001 0.000 0.265 441 M C 1.931 178.065 176.300 -0.277 0.000 1.064 441 M CA 0.633 55.833 55.300 -0.167 0.000 1.109 441 M CB -1.493 31.056 32.600 -0.085 0.000 1.396 441 M HN 0.598 nan 8.290 nan 0.000 0.430 442 A N -0.198 122.448 122.820 -0.291 0.000 1.902 442 A HA -0.179 4.141 4.320 0.001 0.000 0.217 442 A C 1.957 179.291 177.584 -0.417 0.000 1.181 442 A CA 1.548 53.357 52.037 -0.381 0.000 0.623 442 A CB -1.172 17.801 19.000 -0.046 0.000 0.818 442 A HN 0.606 nan 8.150 nan 0.000 0.443 443 H N -1.563 117.303 119.070 -0.339 0.000 2.423 443 H HA -0.069 4.488 4.556 0.000 0.000 0.297 443 H C 2.065 177.192 175.328 -0.335 0.000 1.075 443 H CA 0.924 56.743 56.048 -0.381 0.000 1.342 443 H CB 0.004 29.771 29.762 0.008 0.000 1.395 443 H HN 0.438 nan 8.280 nan 0.000 0.530 444 L N 0.683 121.830 121.223 -0.126 0.000 2.017 444 L HA -0.171 4.169 4.340 0.001 0.000 0.208 444 L C 2.198 178.941 176.870 -0.212 0.000 1.073 444 L CA 1.490 56.254 54.840 -0.128 0.000 0.745 444 L CB -0.800 41.210 42.059 -0.083 0.000 0.894 444 L HN 0.284 nan 8.230 nan 0.000 0.432 445 C N -0.283 118.786 119.300 -0.385 0.000 2.429 445 C HA -0.128 4.333 4.460 0.001 0.000 0.277 445 C C 2.719 177.488 174.990 -0.369 0.000 1.262 445 C CA 0.984 59.714 59.018 -0.479 0.000 1.733 445 C CB -0.965 26.098 27.740 -1.128 0.000 2.010 445 C HN 0.619 nan 8.230 nan 0.000 0.483 446 I N 1.499 121.805 120.570 -0.439 0.000 2.226 446 I HA -0.205 3.965 4.170 0.001 0.000 0.245 446 I C 2.760 178.767 176.117 -0.183 0.000 1.100 446 I CA 1.654 62.758 61.300 -0.327 0.000 1.374 446 I CB -0.606 37.082 38.000 -0.520 0.000 1.057 446 I HN 0.271 nan 8.210 nan 0.000 0.413 447 A N 0.641 123.299 122.820 -0.271 0.000 1.933 447 A HA -0.089 4.232 4.320 0.001 0.000 0.218 447 A C 2.223 179.883 177.584 0.126 0.000 1.175 447 A CA 1.875 53.763 52.037 -0.248 0.000 0.628 447 A CB -1.082 17.570 19.000 -0.580 0.000 0.814 447 A HN 0.484 nan 8.150 nan 0.000 0.444 448 G N -1.327 107.494 108.800 0.035 0.000 3.337 448 G HA2 0.414 4.375 3.960 0.001 0.000 0.246 448 G HA3 0.414 4.375 3.960 0.001 0.000 0.246 448 G C 0.151 174.922 174.900 -0.215 0.000 1.131 448 G CA 0.453 45.477 45.100 -0.126 0.000 0.773 448 G HN 0.339 nan 8.290 nan 0.000 0.544 449 S N -0.342 115.283 115.700 -0.126 0.000 2.568 449 S HA 0.332 4.802 4.470 0.001 0.000 0.302 449 S C 0.801 175.367 174.600 -0.058 0.000 1.082 449 S CA -0.696 57.444 58.200 -0.101 0.000 1.009 449 S CB 1.227 64.369 63.200 -0.098 0.000 1.069 449 S HN 0.507 nan 8.310 nan 0.000 0.500 450 H N -0.118 118.932 119.070 -0.034 0.000 2.548 450 H HA 0.512 5.069 4.556 0.000 0.000 0.265 450 H C 0.111 175.440 175.328 0.001 0.000 0.969 450 H CA 0.262 56.316 56.048 0.010 0.000 1.155 450 H CB 0.147 29.926 29.762 0.028 0.000 1.394 450 H HN 0.492 nan 8.280 nan 0.000 0.570 451 A N 0.877 123.403 122.820 -0.490 0.000 2.520 451 A HA 0.563 4.884 4.320 0.001 0.000 0.298 451 A C -1.455 175.928 177.584 -0.336 0.000 1.051 451 A CA -0.570 51.237 52.037 -0.383 0.000 0.690 451 A CB 2.224 20.985 19.000 -0.399 0.000 1.281 451 A HN 0.092 nan 8.150 nan 0.000 0.402 452 V N 3.716 123.384 119.914 -0.411 0.000 2.638 452 V HA 0.608 4.728 4.120 0.001 0.000 0.306 452 V C -0.792 175.061 176.094 -0.402 0.000 1.052 452 V CA -0.727 61.297 62.300 -0.460 0.000 0.885 452 V CB 1.911 33.281 31.823 -0.754 0.000 0.999 452 V HN 1.051 nan 8.190 nan 0.000 0.424 453 N N 2.750 121.244 118.700 -0.343 0.000 2.329 453 N HA 0.610 5.350 4.740 0.001 0.000 0.282 453 N C -0.359 175.018 175.510 -0.221 0.000 1.198 453 N CA -0.398 52.505 53.050 -0.244 0.000 0.790 453 N CB 2.827 41.168 38.487 -0.244 0.000 1.579 453 N HN 0.660 nan 8.380 nan 0.000 0.475 454 G N -0.860 107.853 108.800 -0.145 0.000 2.557 454 G HA2 0.461 4.421 3.960 0.001 0.000 0.302 454 G HA3 0.461 4.421 3.960 0.001 0.000 0.302 454 G C 0.613 175.570 174.900 0.096 0.000 1.311 454 G CA -0.399 44.681 45.100 -0.033 0.000 1.030 454 G HN 0.687 nan 8.290 nan 0.000 0.509 455 V N -4.040 116.048 119.914 0.290 0.000 3.276 455 V HA 0.712 4.833 4.120 0.001 0.000 0.319 455 V C 0.421 176.598 176.094 0.139 0.000 1.427 455 V CA 0.304 62.696 62.300 0.154 0.000 1.102 455 V CB -0.589 31.295 31.823 0.102 0.000 1.020 455 V HN 1.429 nan 8.190 nan 0.000 0.456 456 A N -0.064 122.846 122.820 0.150 0.000 2.594 456 A HA 0.668 4.988 4.320 0.001 0.000 0.296 456 A C 0.519 178.154 177.584 0.084 0.000 1.056 456 A CA -0.115 51.986 52.037 0.107 0.000 0.693 456 A CB 1.232 20.283 19.000 0.084 0.000 1.278 456 A HN 0.071 nan 8.150 nan 0.000 0.408 457 R N 1.078 121.607 120.500 0.048 0.000 2.096 457 R HA -0.168 4.172 4.340 0.001 0.000 0.240 457 R C 1.765 178.070 176.300 0.009 0.000 1.139 457 R CA 2.355 58.463 56.100 0.013 0.000 0.952 457 R CB -0.250 30.052 30.300 0.004 0.000 0.854 457 R HN 0.818 nan 8.270 nan 0.000 0.436 458 I N -0.004 120.578 120.570 0.021 0.000 2.286 458 I HA -0.310 3.861 4.170 0.001 0.000 0.248 458 I C 2.199 178.337 176.117 0.036 0.000 1.115 458 I CA 1.972 63.279 61.300 0.012 0.000 1.392 458 I CB -0.191 37.812 38.000 0.006 0.000 1.065 458 I HN 0.377 nan 8.210 nan 0.000 0.418 459 H N 0.224 119.273 119.070 -0.036 0.000 2.333 459 H HA -0.093 4.463 4.556 0.000 0.000 0.302 459 H C 2.304 177.614 175.328 -0.029 0.000 1.075 459 H CA 2.104 58.131 56.048 -0.035 0.000 1.348 459 H CB -0.221 29.524 29.762 -0.027 0.000 1.393 459 H HN 0.220 nan 8.280 nan 0.000 0.509 460 S N 0.531 116.158 115.700 -0.122 0.000 2.370 460 S HA -0.153 4.317 4.470 0.001 0.000 0.226 460 S C 1.891 176.394 174.600 -0.162 0.000 1.033 460 S CA 1.364 59.454 58.200 -0.184 0.000 1.011 460 S CB -0.114 63.035 63.200 -0.084 0.000 0.852 460 S HN 0.508 nan 8.310 nan 0.000 0.457 461 E N 0.792 120.916 120.200 -0.126 0.000 2.072 461 E HA -0.059 4.291 4.350 0.001 0.000 0.191 461 E C 2.033 178.534 176.600 -0.166 0.000 0.985 461 E CA 0.648 56.960 56.400 -0.147 0.000 0.801 461 E CB -0.422 29.218 29.700 -0.101 0.000 0.750 461 E HN 0.394 nan 8.360 nan 0.000 0.452 462 I N 1.219 121.710 120.570 -0.132 0.000 2.493 462 I HA -0.192 3.978 4.170 0.001 0.000 0.254 462 I C 2.193 178.210 176.117 -0.166 0.000 1.160 462 I CA 0.710 61.934 61.300 -0.127 0.000 1.445 462 I CB -0.199 37.756 38.000 -0.074 0.000 1.086 462 I HN 0.021 nan 8.210 nan 0.000 0.433 463 L N -0.299 120.807 121.223 -0.194 0.000 2.042 463 L HA -0.259 4.082 4.340 0.001 0.000 0.210 463 L C 2.444 179.229 176.870 -0.142 0.000 1.076 463 L CA 1.520 56.296 54.840 -0.106 0.000 0.749 463 L CB -0.683 41.404 42.059 0.046 0.000 0.893 463 L HN 0.180 nan 8.230 nan 0.000 0.432 464 K N -0.494 119.717 120.400 -0.316 0.000 2.103 464 K HA -0.094 4.226 4.320 0.001 0.000 0.204 464 K C 2.105 178.465 176.600 -0.400 0.000 1.052 464 K CA 0.714 56.621 56.287 -0.634 0.000 0.945 464 K CB 0.136 32.043 32.500 -0.988 0.000 0.722 464 K HN 0.095 nan 8.250 nan 0.000 0.443 465 K N -0.209 120.032 120.400 -0.264 0.000 2.186 465 K HA 0.052 4.372 4.320 0.001 0.000 0.202 465 K C 1.637 178.178 176.600 -0.097 0.000 1.052 465 K CA 1.112 57.309 56.287 -0.150 0.000 0.965 465 K CB 0.237 32.663 32.500 -0.122 0.000 0.746 465 K HN 0.065 nan 8.250 nan 0.000 0.457 466 T N 0.396 114.884 114.554 -0.110 0.000 3.361 466 T HA 0.264 4.614 4.350 0.001 0.000 0.241 466 T C 1.981 176.612 174.700 -0.117 0.000 0.998 466 T CA -0.207 61.838 62.100 -0.092 0.000 1.215 466 T CB -0.107 68.706 68.868 -0.091 0.000 1.196 466 T HN -0.106 nan 8.240 nan 0.000 0.376 467 I N 0.804 121.249 120.570 -0.209 0.000 2.151 467 I HA -0.137 4.033 4.170 0.001 0.000 0.243 467 I C 0.858 176.680 176.117 -0.492 0.000 1.080 467 I CA 1.847 62.896 61.300 -0.418 0.000 1.339 467 I CB -0.203 37.434 38.000 -0.605 0.000 1.039 467 I HN 0.187 nan 8.210 nan 0.000 0.409 468 F N 0.490 120.486 119.950 0.076 0.000 2.850 468 F HA 0.237 4.764 4.527 0.000 0.000 0.329 468 F C 1.630 177.506 175.800 0.127 0.000 1.182 468 F CA -0.679 57.439 58.000 0.197 0.000 1.270 468 F CB -0.323 38.799 39.000 0.202 0.000 0.979 468 F HN -0.117 nan 8.300 nan 0.000 0.506 469 K N 0.671 121.154 120.400 0.137 0.000 2.113 469 K HA -0.200 4.121 4.320 0.001 0.000 0.208 469 K C 1.192 177.840 176.600 0.080 0.000 1.047 469 K CA 2.211 58.540 56.287 0.071 0.000 0.928 469 K CB 0.033 32.540 32.500 0.012 0.000 0.716 469 K HN 0.137 nan 8.250 nan 0.000 0.446 470 D N -0.008 120.422 120.400 0.051 0.000 2.117 470 D HA -0.142 4.499 4.640 0.001 0.000 0.198 470 D C 1.792 178.020 176.300 -0.119 0.000 0.982 470 D CA 1.174 55.081 54.000 -0.155 0.000 0.828 470 D CB -0.279 40.333 40.800 -0.313 0.000 0.967 470 D HN 0.258 nan 8.370 nan 0.000 0.464 471 F N 0.056 120.079 119.950 0.122 0.000 2.146 471 F HA -0.154 4.373 4.527 0.001 0.000 0.298 471 F C 2.368 178.291 175.800 0.205 0.000 1.096 471 F CA 0.567 58.717 58.000 0.250 0.000 1.275 471 F CB -0.710 38.525 39.000 0.391 0.000 1.008 471 F HN -0.035 nan 8.300 nan 0.000 0.480 472 Y N 1.296 121.551 120.300 -0.075 0.000 2.181 472 Y HA -0.189 4.362 4.550 0.001 0.000 0.288 472 Y C 2.141 178.019 175.900 -0.037 0.000 1.146 472 Y CA 1.606 59.494 58.100 -0.353 0.000 1.164 472 Y CB -0.661 37.428 38.460 -0.619 0.000 0.982 472 Y HN 0.138 nan 8.280 nan 0.000 0.515 473 E N -0.414 119.721 120.200 -0.108 0.000 2.106 473 E HA -0.188 4.162 4.350 0.001 0.000 0.192 473 E C 2.014 178.662 176.600 0.080 0.000 0.984 473 E CA 1.164 57.506 56.400 -0.097 0.000 0.806 473 E CB -0.262 29.413 29.700 -0.041 0.000 0.750 473 E HN 0.442 nan 8.360 nan 0.000 0.458 474 L N 0.807 122.120 121.223 0.149 0.000 2.072 474 L HA -0.040 4.300 4.340 0.001 0.000 0.205 474 L C 0.250 177.214 176.870 0.157 0.000 1.079 474 L CA 1.662 56.636 54.840 0.223 0.000 0.752 474 L CB 0.425 42.600 42.059 0.193 0.000 0.906 474 L HN -0.118 nan 8.230 nan 0.000 0.436 475 E N -0.431 119.853 120.200 0.141 0.000 3.352 475 E HA 0.173 4.523 4.350 0.001 0.000 0.254 475 E C -2.005 174.520 176.600 -0.126 0.000 1.229 475 E CA -1.111 55.294 56.400 0.009 0.000 0.949 475 E CB 0.902 30.655 29.700 0.088 0.000 1.373 475 E HN 0.178 nan 8.360 nan 0.000 0.392 476 P HA -0.222 nan 4.420 nan 0.000 0.218 476 P C 1.124 178.510 177.300 0.143 0.000 1.149 476 P CA 1.279 64.310 63.100 -0.115 0.000 0.817 476 P CB 0.021 31.521 31.700 -0.334 0.000 0.785 477 H N 0.000 119.181 119.070 0.184 0.000 2.491 477 H HA 0.096 4.652 4.556 0.000 0.000 0.290 477 H C 1.502 176.933 175.328 0.172 0.000 1.050 477 H CA 0.674 56.819 56.048 0.162 0.000 1.309 477 H CB -0.673 29.155 29.762 0.110 0.000 1.392 477 H HN 0.157 nan 8.280 nan 0.000 0.554 478 K N 0.321 120.579 120.400 -0.237 0.000 2.155 478 K HA 0.003 4.323 4.320 0.001 0.000 0.203 478 K C -0.120 176.365 176.600 -0.193 0.000 1.052 478 K CA 0.319 56.507 56.287 -0.165 0.000 0.948 478 K CB 0.034 32.351 32.500 -0.304 0.000 0.728 478 K HN 0.093 nan 8.250 nan 0.000 0.448 479 F N 2.002 121.972 119.950 0.034 0.000 2.445 479 F HA 0.126 4.653 4.527 0.000 0.000 0.359 479 F C 0.563 176.356 175.800 -0.012 0.000 1.101 479 F CA 0.089 58.108 58.000 0.031 0.000 1.177 479 F CB 0.781 39.851 39.000 0.117 0.000 1.110 479 F HN -0.071 nan 8.300 nan 0.000 0.522 480 Q N 1.896 121.691 119.800 -0.008 0.000 2.587 480 Q HA 0.369 4.709 4.340 0.001 0.000 0.293 480 Q C -1.064 174.882 176.000 -0.089 0.000 1.083 480 Q CA -1.256 54.513 55.803 -0.057 0.000 0.792 480 Q CB 2.997 31.650 28.738 -0.141 0.000 1.484 480 Q HN 0.600 nan 8.270 nan 0.000 0.446 481 N N 0.644 119.277 118.700 -0.111 0.000 2.284 481 N HA 0.253 4.994 4.740 0.001 0.000 0.300 481 N C -1.430 173.970 175.510 -0.182 0.000 1.047 481 N CA -0.391 52.591 53.050 -0.113 0.000 0.821 481 N CB 0.984 39.429 38.487 -0.070 0.000 1.337 481 N HN 0.279 nan 8.380 nan 0.000 0.482 482 K N 2.849 123.145 120.400 -0.174 0.000 2.701 482 K HA 0.184 4.504 4.320 0.001 0.000 0.212 482 K C -0.886 175.706 176.600 -0.013 0.000 1.035 482 K CA -0.489 55.663 56.287 -0.225 0.000 1.048 482 K CB 1.172 33.314 32.500 -0.596 0.000 1.234 482 K HN 0.540 nan 8.250 nan 0.000 0.540 483 T N 1.975 116.538 114.554 0.015 0.000 2.908 483 T HA 0.028 4.378 4.350 0.001 0.000 0.301 483 T C 0.803 175.617 174.700 0.191 0.000 1.019 483 T CA 0.418 62.584 62.100 0.109 0.000 1.152 483 T CB 0.289 69.225 68.868 0.114 0.000 0.966 483 T HN 0.353 nan 8.240 nan 0.000 0.540 484 N N 0.553 119.397 118.700 0.239 0.000 2.297 484 N HA 0.424 5.164 4.740 0.001 0.000 0.232 484 N C 0.525 176.223 175.510 0.314 0.000 1.311 484 N CA -0.156 53.075 53.050 0.302 0.000 0.897 484 N CB 0.409 39.017 38.487 0.202 0.000 1.137 484 N HN 0.767 nan 8.380 nan 0.000 0.449 485 G N -0.667 108.332 108.800 0.331 0.000 2.721 485 G HA2 0.632 4.592 3.960 0.001 0.000 0.296 485 G HA3 0.632 4.592 3.960 0.001 0.000 0.296 485 G C -1.483 173.555 174.900 0.231 0.000 1.383 485 G CA -0.719 44.558 45.100 0.295 0.000 0.788 485 G HN 0.593 nan 8.290 nan 0.000 0.500 486 I N -2.397 118.296 120.570 0.205 0.000 2.865 486 I HA 0.713 4.883 4.170 0.001 0.000 0.302 486 I C -0.339 175.943 176.117 0.274 0.000 1.140 486 I CA -0.953 60.458 61.300 0.185 0.000 1.021 486 I CB 2.344 40.349 38.000 0.009 0.000 1.233 486 I HN 0.525 nan 8.210 nan 0.000 0.427 487 T N 3.864 118.637 114.554 0.365 0.000 2.832 487 T HA 0.386 4.736 4.350 0.001 0.000 0.296 487 T C -1.546 173.281 174.700 0.211 0.000 0.968 487 T CA -1.626 60.611 62.100 0.227 0.000 1.107 487 T CB 0.878 69.831 68.868 0.141 0.000 0.916 487 T HN 0.655 nan 8.240 nan 0.000 0.517 488 P HA 0.117 nan 4.420 nan 0.000 0.245 488 P C 0.931 178.210 177.300 -0.035 0.000 1.212 488 P CA 0.120 63.268 63.100 0.079 0.000 0.774 488 P CB 0.378 32.116 31.700 0.063 0.000 0.999 489 R N 0.655 121.094 120.500 -0.102 0.000 2.065 489 R HA 0.048 4.389 4.340 0.001 0.000 0.224 489 R C 2.662 178.858 176.300 -0.173 0.000 1.161 489 R CA 1.489 57.487 56.100 -0.170 0.000 0.923 489 R CB -1.324 28.879 30.300 -0.162 0.000 0.822 489 R HN -0.005 nan 8.270 nan 0.000 0.437 490 R N -0.666 119.679 120.500 -0.258 0.000 2.091 490 R HA -0.135 4.205 4.340 0.001 0.000 0.238 490 R C 0.909 176.881 176.300 -0.547 0.000 1.136 490 R CA 1.762 57.556 56.100 -0.510 0.000 0.959 490 R CB -0.189 29.615 30.300 -0.827 0.000 0.856 490 R HN 0.309 nan 8.270 nan 0.000 0.437 491 W N -0.189 121.078 121.300 -0.054 0.000 3.391 491 W HA 0.194 4.854 4.660 -0.000 0.000 0.372 491 W C 0.740 177.241 176.519 -0.030 0.000 1.171 491 W CA -0.707 56.607 57.345 -0.053 0.000 1.862 491 W CB 0.436 29.869 29.460 -0.045 0.000 1.048 491 W HN 0.238 nan 8.180 nan 0.000 0.726 492 L N -2.603 118.678 121.223 0.097 0.000 1.918 492 L HA 0.149 4.489 4.340 0.001 0.000 0.150 492 L C 1.600 178.492 176.870 0.037 0.000 1.315 492 L CA 0.697 55.593 54.840 0.093 0.000 1.085 492 L CB -0.761 41.383 42.059 0.141 0.000 2.248 492 L HN -0.254 nan 8.230 nan 0.000 0.481 493 V N 1.708 121.621 119.914 -0.001 0.000 2.295 493 V HA -0.239 3.881 4.120 0.001 0.000 0.246 493 V C 2.463 178.535 176.094 -0.038 0.000 1.049 493 V CA 2.376 64.667 62.300 -0.016 0.000 1.024 493 V CB -0.668 31.117 31.823 -0.063 0.000 0.648 493 V HN 0.396 nan 8.190 nan 0.000 0.447 494 L N 0.605 121.774 121.223 -0.090 0.000 2.023 494 L HA -0.155 4.185 4.340 0.001 0.000 0.205 494 L C 2.756 179.564 176.870 -0.103 0.000 1.073 494 L CA 2.000 56.772 54.840 -0.113 0.000 0.745 494 L CB -1.136 40.808 42.059 -0.192 0.000 0.900 494 L HN 0.618 nan 8.230 nan 0.000 0.435 495 C N -1.990 117.239 119.300 -0.119 0.000 2.514 495 C HA 0.110 4.570 4.460 0.001 0.000 0.271 495 C C 1.273 176.246 174.990 -0.029 0.000 1.399 495 C CA -0.137 58.830 59.018 -0.086 0.000 1.765 495 C CB -0.978 26.709 27.740 -0.089 0.000 1.893 495 C HN 0.547 nan 8.230 nan 0.000 0.531 496 N N 0.927 119.622 118.700 -0.008 0.000 2.673 496 N HA 0.242 4.982 4.740 0.001 0.000 0.265 496 N C -1.638 173.884 175.510 0.020 0.000 1.709 496 N CA -1.479 51.578 53.050 0.011 0.000 0.792 496 N CB 0.634 39.136 38.487 0.025 0.000 1.286 496 N HN 0.230 nan 8.380 nan 0.000 0.506 497 P HA -0.080 nan 4.420 nan 0.000 0.218 497 P C 1.413 178.729 177.300 0.026 0.000 1.148 497 P CA 1.049 64.162 63.100 0.021 0.000 0.822 497 P CB 0.188 31.893 31.700 0.008 0.000 0.784 498 G N 0.643 109.451 108.800 0.013 0.000 2.440 498 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 498 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 498 G C 1.534 176.437 174.900 0.005 0.000 1.154 498 G CA 0.749 45.851 45.100 0.005 0.000 0.767 498 G HN 0.278 nan 8.290 nan 0.000 0.552 499 L N 1.049 122.278 121.223 0.010 0.000 2.179 499 L HA 0.365 4.705 4.340 0.001 0.000 0.208 499 L C 2.986 179.882 176.870 0.043 0.000 1.096 499 L CA 1.774 56.617 54.840 0.006 0.000 0.779 499 L CB -0.598 41.467 42.059 0.010 0.000 0.922 499 L HN 0.212 nan 8.230 nan 0.000 0.443 500 A N -0.651 122.217 122.820 0.080 0.000 1.902 500 A HA -0.235 4.086 4.320 0.001 0.000 0.217 500 A C 2.252 179.930 177.584 0.157 0.000 1.181 500 A CA 1.749 53.884 52.037 0.163 0.000 0.623 500 A CB -0.604 18.485 19.000 0.148 0.000 0.818 500 A HN 0.514 nan 8.150 nan 0.000 0.443 501 E N 0.542 120.798 120.200 0.092 0.000 2.072 501 E HA -0.136 4.214 4.350 0.001 0.000 0.191 501 E C 1.860 178.500 176.600 0.066 0.000 0.985 501 E CA 1.452 57.898 56.400 0.076 0.000 0.801 501 E CB -0.441 29.285 29.700 0.042 0.000 0.750 501 E HN 0.746 nan 8.360 nan 0.000 0.452 502 I N -1.851 118.748 120.570 0.049 0.000 2.394 502 I HA -0.113 4.058 4.170 0.001 0.000 0.251 502 I C 2.063 178.269 176.117 0.148 0.000 1.136 502 I CA 0.995 62.337 61.300 0.070 0.000 1.425 502 I CB -0.367 37.635 38.000 0.003 0.000 1.079 502 I HN 0.006 nan 8.210 nan 0.000 0.425 503 I N 2.183 122.812 120.570 0.099 0.000 2.252 503 I HA -0.205 3.965 4.170 0.001 0.000 0.245 503 I C 3.028 179.122 176.117 -0.038 0.000 1.102 503 I CA 1.398 62.691 61.300 -0.012 0.000 1.385 503 I CB -0.471 37.376 38.000 -0.255 0.000 1.064 503 I HN 0.296 nan 8.210 nan 0.000 0.414 504 A N 0.350 123.224 122.820 0.090 0.000 1.972 504 A HA -0.216 4.105 4.320 0.001 0.000 0.219 504 A C 2.168 179.801 177.584 0.082 0.000 1.169 504 A CA 1.529 53.674 52.037 0.180 0.000 0.635 504 A CB -0.562 18.563 19.000 0.209 0.000 0.810 504 A HN 0.442 nan 8.150 nan 0.000 0.446 505 E N -0.702 119.527 120.200 0.048 0.000 2.118 505 E HA -0.200 4.150 4.350 0.001 0.000 0.195 505 E C 2.169 178.755 176.600 -0.024 0.000 0.992 505 E CA 1.111 57.521 56.400 0.016 0.000 0.804 505 E CB -0.044 29.664 29.700 0.014 0.000 0.741 505 E HN 0.416 nan 8.360 nan 0.000 0.458 506 R N 0.089 120.540 120.500 -0.082 0.000 2.105 506 R HA 0.097 4.438 4.340 0.001 0.000 0.214 506 R C 2.196 178.483 176.300 -0.021 0.000 1.091 506 R CA 0.776 56.788 56.100 -0.145 0.000 1.007 506 R CB -0.162 29.823 30.300 -0.525 0.000 0.912 506 R HN 0.331 nan 8.270 nan 0.000 0.450 507 I N -3.254 117.320 120.570 0.006 0.000 4.050 507 I HA 0.458 4.629 4.170 0.001 0.000 0.327 507 I C 0.358 176.542 176.117 0.113 0.000 1.473 507 I CA -0.014 61.321 61.300 0.058 0.000 1.124 507 I CB 0.766 38.791 38.000 0.041 0.000 1.129 507 I HN 0.158 nan 8.210 nan 0.000 0.428 508 G N 2.215 111.087 108.800 0.120 0.000 2.681 508 G HA2 -0.234 3.726 3.960 0.001 0.000 0.220 508 G HA3 -0.234 3.726 3.960 0.001 0.000 0.220 508 G C -0.007 175.034 174.900 0.235 0.000 1.353 508 G CA 0.270 45.453 45.100 0.138 0.000 0.872 508 G HN 0.475 nan 8.290 nan 0.000 0.557 509 E N -0.027 120.259 120.200 0.144 0.000 2.481 509 E HA 0.122 4.473 4.350 0.001 0.000 0.198 509 E C 1.967 178.529 176.600 -0.063 0.000 1.027 509 E CA 0.293 56.725 56.400 0.054 0.000 0.900 509 E CB 0.323 30.043 29.700 0.034 0.000 0.993 509 E HN 0.632 nan 8.360 nan 0.000 0.482 510 E N 0.372 120.601 120.200 0.048 0.000 2.153 510 E HA -0.216 4.135 4.350 0.001 0.000 0.194 510 E C 1.728 178.314 176.600 -0.024 0.000 0.988 510 E CA 1.176 57.589 56.400 0.023 0.000 0.811 510 E CB -0.189 29.550 29.700 0.065 0.000 0.746 510 E HN 0.475 nan 8.360 nan 0.000 0.466 511 Y N -0.116 120.194 120.300 0.016 0.000 2.256 511 Y HA -0.149 4.402 4.550 0.002 0.000 0.288 511 Y C 1.863 177.745 175.900 -0.030 0.000 1.155 511 Y CA 0.757 58.858 58.100 0.002 0.000 1.203 511 Y CB -0.715 37.754 38.460 0.014 0.000 0.980 511 Y HN -0.069 nan 8.280 nan 0.000 0.530 512 I N 1.042 121.017 120.570 -0.992 0.000 2.315 512 I HA -0.281 3.890 4.170 0.001 0.000 0.251 512 I C 1.410 177.256 176.117 -0.451 0.000 1.125 512 I CA 1.970 62.810 61.300 -0.765 0.000 1.392 512 I CB -0.490 36.987 38.000 -0.871 0.000 1.065 512 I HN 0.490 nan 8.210 nan 0.000 0.424 513 S N -1.671 113.873 115.700 -0.260 0.000 2.741 513 S HA 0.242 4.712 4.470 0.001 0.000 0.247 513 S C -0.020 174.559 174.600 -0.036 0.000 1.050 513 S CA -0.549 57.580 58.200 -0.118 0.000 1.025 513 S CB 0.351 63.551 63.200 0.001 0.000 0.897 513 S HN 0.348 nan 8.310 nan 0.000 0.508 514 D N 0.581 120.968 120.400 -0.022 0.000 3.361 514 D HA 0.151 4.791 4.640 0.001 0.000 0.246 514 D C 0.343 176.681 176.300 0.063 0.000 1.395 514 D CA -0.362 53.651 54.000 0.022 0.000 0.839 514 D CB -0.009 40.809 40.800 0.030 0.000 1.469 514 D HN 0.111 nan 8.370 nan 0.000 0.636 515 L N 0.924 122.186 121.223 0.064 0.000 2.349 515 L HA -0.006 4.334 4.340 0.001 0.000 0.220 515 L C 1.411 178.334 176.870 0.088 0.000 1.130 515 L CA 1.583 56.492 54.840 0.115 0.000 0.791 515 L CB -0.096 42.024 42.059 0.102 0.000 0.918 515 L HN 0.268 nan 8.230 nan 0.000 0.444 516 D N -0.833 119.593 120.400 0.043 0.000 2.309 516 D HA -0.201 4.439 4.640 0.001 0.000 0.212 516 D C 1.871 178.192 176.300 0.034 0.000 0.968 516 D CA 0.719 54.730 54.000 0.019 0.000 0.882 516 D CB 0.052 40.848 40.800 -0.007 0.000 0.918 516 D HN 0.556 nan 8.370 nan 0.000 0.503 517 Q N 0.020 119.860 119.800 0.066 0.000 2.439 517 Q HA -0.036 4.305 4.340 0.001 0.000 0.211 517 Q C 2.249 178.276 176.000 0.046 0.000 0.978 517 Q CA 0.195 56.038 55.803 0.067 0.000 0.897 517 Q CB 0.043 28.852 28.738 0.118 0.000 0.956 517 Q HN 0.396 nan 8.270 nan 0.000 0.483 518 L N 0.062 121.310 121.223 0.043 0.000 2.261 518 L HA -0.198 4.142 4.340 0.001 0.000 0.216 518 L C 2.243 179.115 176.870 0.004 0.000 1.114 518 L CA 0.961 55.798 54.840 -0.004 0.000 0.777 518 L CB -0.357 41.714 42.059 0.021 0.000 0.910 518 L HN 0.206 nan 8.230 nan 0.000 0.440 519 R N 0.303 120.808 120.500 0.008 0.000 2.159 519 R HA -0.169 4.171 4.340 0.001 0.000 0.237 519 R C 2.106 178.390 176.300 -0.028 0.000 1.131 519 R CA 0.993 57.090 56.100 -0.004 0.000 0.982 519 R CB -0.179 30.116 30.300 -0.009 0.000 0.868 519 R HN 0.392 nan 8.270 nan 0.000 0.453 520 K N 0.609 120.992 120.400 -0.028 0.000 2.281 520 K HA -0.118 4.203 4.320 0.001 0.000 0.203 520 K C 1.761 178.308 176.600 -0.088 0.000 1.046 520 K CA 0.932 57.183 56.287 -0.061 0.000 0.938 520 K CB -0.099 32.388 32.500 -0.022 0.000 0.737 520 K HN 0.232 nan 8.250 nan 0.000 0.458 521 L N 0.781 121.989 121.223 -0.026 0.000 2.549 521 L HA -0.100 4.240 4.340 0.001 0.000 0.229 521 L C 1.858 178.720 176.870 -0.014 0.000 1.158 521 L CA 0.417 55.271 54.840 0.024 0.000 0.842 521 L CB -0.348 41.740 42.059 0.049 0.000 0.952 521 L HN 0.181 nan 8.230 nan 0.000 0.452 522 L N -1.034 120.153 121.223 -0.059 0.000 2.376 522 L HA -0.106 4.235 4.340 0.001 0.000 0.219 522 L C 2.409 179.194 176.870 -0.142 0.000 1.133 522 L CA 0.483 55.289 54.840 -0.057 0.000 0.816 522 L CB -0.254 41.776 42.059 -0.048 0.000 0.933 522 L HN 0.170 nan 8.230 nan 0.000 0.449 523 S N -1.086 114.428 115.700 -0.309 0.000 2.507 523 S HA -0.092 4.379 4.470 0.001 0.000 0.235 523 S C 0.859 175.120 174.600 -0.565 0.000 0.988 523 S CA 0.800 58.708 58.200 -0.486 0.000 0.944 523 S CB -0.127 62.609 63.200 -0.774 0.000 0.762 523 S HN 0.408 nan 8.310 nan 0.000 0.526 524 Y N -0.047 120.178 120.300 -0.126 0.000 2.636 524 Y HA 0.245 4.793 4.550 -0.004 0.000 0.260 524 Y C 1.683 177.602 175.900 0.032 0.000 1.177 524 Y CA -0.812 57.221 58.100 -0.110 0.000 1.209 524 Y CB -0.522 37.699 38.460 -0.398 0.000 1.166 524 Y HN 0.134 nan 8.280 nan 0.000 0.531 525 V N -2.818 117.165 119.914 0.115 0.000 2.720 525 V HA -0.147 3.973 4.120 0.001 0.000 0.256 525 V C 0.740 176.896 176.094 0.103 0.000 1.082 525 V CA 1.897 64.267 62.300 0.117 0.000 1.101 525 V CB -0.014 31.842 31.823 0.055 0.000 0.693 525 V HN 0.226 nan 8.190 nan 0.000 0.479 526 D N 0.077 120.528 120.400 0.085 0.000 2.462 526 D HA 0.163 4.803 4.640 0.001 0.000 0.221 526 D C 0.078 176.437 176.300 0.098 0.000 1.173 526 D CA 0.073 54.117 54.000 0.073 0.000 0.831 526 D CB 0.251 41.074 40.800 0.037 0.000 1.001 526 D HN 0.517 nan 8.370 nan 0.000 0.499 527 D N 1.747 122.243 120.400 0.161 0.000 2.347 527 D HA 0.004 4.644 4.640 0.001 0.000 0.235 527 D C 1.190 177.584 176.300 0.157 0.000 1.149 527 D CA -0.101 54.008 54.000 0.182 0.000 0.850 527 D CB 1.306 42.282 40.800 0.293 0.000 1.061 527 D HN -0.156 nan 8.370 nan 0.000 0.487 528 E N 2.931 123.192 120.200 0.101 0.000 2.118 528 E HA -0.180 4.171 4.350 0.001 0.000 0.195 528 E C 1.622 178.261 176.600 0.066 0.000 0.992 528 E CA 0.975 57.417 56.400 0.070 0.000 0.804 528 E CB -0.145 29.583 29.700 0.045 0.000 0.741 528 E HN 0.641 nan 8.360 nan 0.000 0.458 529 A N 0.668 123.535 122.820 0.079 0.000 1.872 529 A HA -0.126 4.194 4.320 0.001 0.000 0.214 529 A C 2.075 179.705 177.584 0.077 0.000 1.187 529 A CA 0.924 52.996 52.037 0.059 0.000 0.614 529 A CB -0.737 18.295 19.000 0.054 0.000 0.826 529 A HN 0.211 nan 8.150 nan 0.000 0.442 530 F N 0.721 120.640 119.950 -0.052 0.000 2.102 530 F HA -0.157 4.372 4.527 0.002 0.000 0.298 530 F C 2.049 177.832 175.800 -0.029 0.000 1.105 530 F CA 1.461 59.415 58.000 -0.077 0.000 1.239 530 F CB -0.362 38.574 39.000 -0.106 0.000 0.991 530 F HN 0.170 nan 8.300 nan 0.000 0.474 531 I N -0.063 120.544 120.570 0.061 0.000 2.151 531 I HA -0.390 3.780 4.170 0.001 0.000 0.243 531 I C 2.740 178.807 176.117 -0.083 0.000 1.080 531 I CA 1.806 63.095 61.300 -0.019 0.000 1.339 531 I CB -0.555 37.472 38.000 0.045 0.000 1.039 531 I HN 0.110 nan 8.210 nan 0.000 0.409 532 R N 0.880 121.348 120.500 -0.053 0.000 2.083 532 R HA -0.215 4.125 4.340 0.001 0.000 0.237 532 R C 1.779 178.015 176.300 -0.106 0.000 1.137 532 R CA 2.242 58.306 56.100 -0.061 0.000 0.951 532 R CB -0.211 30.069 30.300 -0.032 0.000 0.851 532 R HN 0.328 nan 8.270 nan 0.000 0.434 533 D N -0.184 120.122 120.400 -0.155 0.000 2.162 533 D HA -0.079 4.561 4.640 0.001 0.000 0.203 533 D C 1.994 178.139 176.300 -0.259 0.000 0.967 533 D CA 0.799 54.688 54.000 -0.185 0.000 0.840 533 D CB -0.077 40.617 40.800 -0.176 0.000 0.972 533 D HN 0.081 nan 8.370 nan 0.000 0.482 534 V N 1.622 121.293 119.914 -0.406 0.000 2.287 534 V HA -0.264 3.856 4.120 0.001 0.000 0.248 534 V C 2.561 178.556 176.094 -0.165 0.000 1.053 534 V CA 1.933 64.027 62.300 -0.343 0.000 1.027 534 V CB -0.813 30.767 31.823 -0.406 0.000 0.646 534 V HN 0.187 nan 8.190 nan 0.000 0.447 535 A N -0.274 122.471 122.820 -0.125 0.000 1.902 535 A HA -0.282 4.039 4.320 0.001 0.000 0.217 535 A C 2.357 179.896 177.584 -0.074 0.000 1.181 535 A CA 2.255 54.249 52.037 -0.072 0.000 0.623 535 A CB -0.508 18.455 19.000 -0.061 0.000 0.818 535 A HN 0.553 nan 8.150 nan 0.000 0.443 536 K N -0.332 120.018 120.400 -0.083 0.000 2.057 536 K HA -0.080 4.240 4.320 0.001 0.000 0.207 536 K C 1.787 178.351 176.600 -0.061 0.000 1.049 536 K CA 1.565 57.812 56.287 -0.067 0.000 0.931 536 K CB -0.249 32.213 32.500 -0.064 0.000 0.714 536 K HN 0.215 nan 8.250 nan 0.000 0.440 537 V N 1.660 121.531 119.914 -0.073 0.000 2.358 537 V HA -0.219 3.901 4.120 0.001 0.000 0.246 537 V C 2.379 178.449 176.094 -0.040 0.000 1.047 537 V CA 1.997 64.264 62.300 -0.055 0.000 1.035 537 V CB -0.413 31.369 31.823 -0.067 0.000 0.658 537 V HN 0.374 nan 8.190 nan 0.000 0.452 538 K N 0.508 120.882 120.400 -0.043 0.000 2.057 538 K HA -0.228 4.092 4.320 0.001 0.000 0.207 538 K C 2.141 178.705 176.600 -0.059 0.000 1.049 538 K CA 1.783 58.052 56.287 -0.031 0.000 0.931 538 K CB -0.430 32.067 32.500 -0.006 0.000 0.714 538 K HN 0.378 nan 8.250 nan 0.000 0.440 539 Q N 1.054 120.813 119.800 -0.068 0.000 2.124 539 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 539 Q C 1.596 177.567 176.000 -0.049 0.000 0.977 539 Q CA 2.005 57.759 55.803 -0.081 0.000 0.850 539 Q CB -0.090 28.605 28.738 -0.072 0.000 0.901 539 Q HN 0.534 nan 8.270 nan 0.000 0.429 540 E N -0.506 119.677 120.200 -0.027 0.000 2.110 540 E HA -0.149 4.201 4.350 0.001 0.000 0.193 540 E C 1.679 178.293 176.600 0.024 0.000 0.988 540 E CA 1.037 57.436 56.400 -0.002 0.000 0.804 540 E CB -0.038 29.660 29.700 -0.004 0.000 0.745 540 E HN 0.404 nan 8.360 nan 0.000 0.458 541 N N 0.796 119.506 118.700 0.018 0.000 2.270 541 N HA -0.095 4.646 4.740 0.001 0.000 0.181 541 N C 1.359 176.936 175.510 0.110 0.000 1.016 541 N CA 0.909 53.992 53.050 0.055 0.000 0.870 541 N CB -0.004 38.501 38.487 0.031 0.000 0.979 541 N HN 0.114 nan 8.380 nan 0.000 0.431 542 K N 0.454 120.877 120.400 0.038 0.000 2.148 542 K HA 0.054 4.375 4.320 0.001 0.000 0.204 542 K C 1.916 178.624 176.600 0.180 0.000 1.050 542 K CA 0.593 56.909 56.287 0.049 0.000 0.942 542 K CB -0.006 32.240 32.500 -0.423 0.000 0.724 542 K HN 0.126 nan 8.250 nan 0.000 0.446 543 L N 0.761 122.041 121.223 0.094 0.000 2.095 543 L HA -0.111 4.230 4.340 0.001 0.000 0.204 543 L C 2.520 179.472 176.870 0.138 0.000 1.080 543 L CA 1.036 55.939 54.840 0.105 0.000 0.759 543 L CB -0.261 41.833 42.059 0.058 0.000 0.914 543 L HN 0.102 nan 8.230 nan 0.000 0.439 544 K N 0.013 120.498 120.400 0.141 0.000 2.057 544 K HA -0.231 4.089 4.320 0.001 0.000 0.207 544 K C 2.154 178.888 176.600 0.223 0.000 1.049 544 K CA 1.515 57.893 56.287 0.151 0.000 0.931 544 K CB -0.162 32.415 32.500 0.128 0.000 0.714 544 K HN 0.056 nan 8.250 nan 0.000 0.440 545 F N 1.094 121.131 119.950 0.145 0.000 2.102 545 F HA -0.098 4.430 4.527 0.001 0.000 0.298 545 F C 2.006 177.943 175.800 0.228 0.000 1.105 545 F CA 1.471 59.584 58.000 0.188 0.000 1.239 545 F CB -0.586 38.535 39.000 0.201 0.000 0.991 545 F HN 0.087 nan 8.300 nan 0.000 0.474 546 A N 0.144 123.075 122.820 0.185 0.000 1.972 546 A HA -0.061 4.259 4.320 0.001 0.000 0.219 546 A C 2.362 179.941 177.584 -0.010 0.000 1.169 546 A CA 1.729 53.793 52.037 0.044 0.000 0.635 546 A CB -1.473 17.614 19.000 0.146 0.000 0.810 546 A HN 0.484 nan 8.150 nan 0.000 0.446 547 A N -1.539 121.311 122.820 0.050 0.000 1.929 547 A HA -0.026 4.295 4.320 0.001 0.000 0.216 547 A C 2.094 179.694 177.584 0.027 0.000 1.176 547 A CA 1.457 53.521 52.037 0.045 0.000 0.628 547 A CB -0.731 18.312 19.000 0.071 0.000 0.816 547 A HN 0.765 nan 8.150 nan 0.000 0.444 548 Y N 0.220 120.463 120.300 -0.096 0.000 2.181 548 Y HA -0.120 4.430 4.550 0.001 0.000 0.288 548 Y C 1.883 177.706 175.900 -0.128 0.000 1.146 548 Y CA 1.758 59.797 58.100 -0.103 0.000 1.164 548 Y CB -0.240 38.157 38.460 -0.105 0.000 0.982 548 Y HN 0.199 nan 8.280 nan 0.000 0.515 549 L N 0.044 121.109 121.223 -0.263 0.000 2.056 549 L HA -0.166 4.174 4.340 0.001 0.000 0.207 549 L C 2.481 179.262 176.870 -0.147 0.000 1.078 549 L CA 1.808 56.488 54.840 -0.266 0.000 0.749 549 L CB -0.387 41.481 42.059 -0.318 0.000 0.901 549 L HN 0.255 nan 8.230 nan 0.000 0.433 550 E N 0.335 120.473 120.200 -0.103 0.000 2.072 550 E HA -0.255 4.095 4.350 0.001 0.000 0.191 550 E C 2.198 178.756 176.600 -0.069 0.000 0.985 550 E CA 1.349 57.726 56.400 -0.039 0.000 0.801 550 E CB -0.018 29.689 29.700 0.013 0.000 0.750 550 E HN 0.212 nan 8.360 nan 0.000 0.452 551 R N 0.062 120.496 120.500 -0.111 0.000 2.064 551 R HA -0.117 4.224 4.340 0.001 0.000 0.228 551 R C 1.937 178.110 176.300 -0.212 0.000 1.144 551 R CA 1.765 57.788 56.100 -0.129 0.000 0.932 551 R CB -0.193 30.043 30.300 -0.107 0.000 0.833 551 R HN 0.102 nan 8.270 nan 0.000 0.429 552 E N -0.678 119.289 120.200 -0.388 0.000 2.216 552 E HA -0.125 4.225 4.350 0.001 0.000 0.192 552 E C 0.986 177.214 176.600 -0.619 0.000 0.988 552 E CA 1.103 57.162 56.400 -0.569 0.000 0.834 552 E CB 0.198 29.338 29.700 -0.934 0.000 0.772 552 E HN 0.538 nan 8.360 nan 0.000 0.479 553 Y N -0.219 119.939 120.300 -0.236 0.000 2.563 553 Y HA 0.227 4.777 4.550 0.000 0.000 0.250 553 Y C 0.067 175.919 175.900 -0.080 0.000 1.126 553 Y CA -0.615 57.409 58.100 -0.127 0.000 1.231 553 Y CB 0.744 39.134 38.460 -0.117 0.000 1.288 553 Y HN -0.263 nan 8.280 nan 0.000 0.537 554 K N 0.939 121.351 120.400 0.021 0.000 3.278 554 K HA -0.144 4.176 4.320 0.001 0.000 0.270 554 K C -0.893 175.738 176.600 0.051 0.000 0.955 554 K CA 0.370 56.671 56.287 0.023 0.000 0.723 554 K CB -1.674 30.837 32.500 0.018 0.000 1.382 554 K HN 0.086 nan 8.250 nan 0.000 0.461 555 V N 1.307 121.245 119.914 0.040 0.000 2.495 555 V HA 0.219 4.339 4.120 0.001 0.000 0.298 555 V C 0.405 176.520 176.094 0.035 0.000 1.031 555 V CA -0.800 61.520 62.300 0.033 0.000 0.871 555 V CB 1.806 33.627 31.823 -0.005 0.000 0.988 555 V HN 0.355 nan 8.190 nan 0.000 0.432 556 H N 6.339 125.396 119.070 -0.022 0.000 2.519 556 H HA 0.589 5.146 4.556 0.001 0.000 0.316 556 H C -0.804 174.510 175.328 -0.023 0.000 1.065 556 H CA -0.437 55.601 56.048 -0.017 0.000 1.264 556 H CB 1.465 31.225 29.762 -0.003 0.000 1.413 556 H HN 0.725 nan 8.280 nan 0.000 0.465 557 I N 2.209 122.385 120.570 -0.657 0.000 2.646 557 I HA 0.350 4.521 4.170 0.001 0.000 0.299 557 I C -0.392 175.444 176.117 -0.469 0.000 1.036 557 I CA -1.261 59.766 61.300 -0.455 0.000 1.074 557 I CB 1.991 39.825 38.000 -0.277 0.000 1.258 557 I HN 0.380 nan 8.210 nan 0.000 0.430 558 N N 6.819 125.412 118.700 -0.179 0.000 2.420 558 N HA 0.263 5.003 4.740 0.001 0.000 0.262 558 N C -1.603 174.004 175.510 0.162 0.000 1.144 558 N CA -2.363 50.686 53.050 -0.001 0.000 0.952 558 N CB 0.868 39.387 38.487 0.053 0.000 1.081 558 N HN 0.474 nan 8.380 nan 0.000 0.480 559 P HA -0.057 nan 4.420 nan 0.000 0.223 559 P C -0.675 176.641 177.300 0.026 0.000 1.151 559 P CA 0.903 64.088 63.100 0.141 0.000 0.787 559 P CB 0.200 31.951 31.700 0.085 0.000 0.788 560 N N 0.469 119.200 118.700 0.053 0.000 3.271 560 N HA 0.161 4.902 4.740 0.001 0.000 0.303 560 N C -0.469 175.075 175.510 0.056 0.000 1.415 560 N CA -0.226 52.843 53.050 0.031 0.000 1.159 560 N CB 0.189 38.699 38.487 0.038 0.000 1.432 560 N HN 0.134 nan 8.380 nan 0.000 0.521 561 S N -0.951 114.786 115.700 0.062 0.000 2.618 561 S HA 0.404 4.875 4.470 0.001 0.000 0.277 561 S C -0.668 173.902 174.600 -0.049 0.000 1.138 561 S CA -1.074 57.148 58.200 0.037 0.000 0.844 561 S CB 1.370 64.615 63.200 0.075 0.000 1.127 561 S HN 0.252 nan 8.310 nan 0.000 0.474 562 L N 2.153 123.193 121.223 -0.306 0.000 2.418 562 L HA 0.408 4.748 4.340 0.001 0.000 0.274 562 L C -1.292 175.541 176.870 -0.061 0.000 1.135 562 L CA -0.492 53.981 54.840 -0.612 0.000 0.870 562 L CB -0.170 41.227 42.059 -1.103 0.000 1.154 562 L HN 0.647 nan 8.230 nan 0.000 0.462 563 F N 3.800 123.612 119.950 -0.230 0.000 2.375 563 F HA 0.213 4.741 4.527 0.002 0.000 0.362 563 F C 0.379 176.105 175.800 -0.123 0.000 1.129 563 F CA -1.034 56.889 58.000 -0.127 0.000 1.154 563 F CB 0.454 39.419 39.000 -0.058 0.000 1.205 563 F HN 0.417 nan 8.300 nan 0.000 0.513 564 D N 4.123 124.517 120.400 -0.011 0.000 2.427 564 D HA 0.428 5.068 4.640 0.001 0.000 0.226 564 D C -1.181 175.062 176.300 -0.094 0.000 1.076 564 D CA -0.138 53.819 54.000 -0.071 0.000 0.849 564 D CB 1.121 41.860 40.800 -0.101 0.000 1.052 564 D HN 0.168 nan 8.370 nan 0.000 0.515 565 V N 4.396 124.244 119.914 -0.110 0.000 2.531 565 V HA 0.383 4.504 4.120 0.001 0.000 0.301 565 V C -0.281 175.683 176.094 -0.216 0.000 1.034 565 V CA -0.853 61.375 62.300 -0.121 0.000 0.865 565 V CB 1.766 33.608 31.823 0.031 0.000 0.995 565 V HN 0.531 nan 8.190 nan 0.000 0.424 566 Q N 3.845 123.525 119.800 -0.199 0.000 2.394 566 Q HA 0.663 5.003 4.340 0.001 0.000 0.261 566 Q C -1.402 174.436 176.000 -0.269 0.000 1.023 566 Q CA -0.456 55.215 55.803 -0.221 0.000 0.720 566 Q CB 1.862 30.497 28.738 -0.172 0.000 1.241 566 Q HN 0.803 nan 8.270 nan 0.000 0.483 567 V N 1.574 121.317 119.914 -0.285 0.000 2.483 567 V HA 0.867 4.987 4.120 0.001 0.000 0.297 567 V C -0.989 174.808 176.094 -0.495 0.000 1.027 567 V CA -0.594 61.335 62.300 -0.618 0.000 0.855 567 V CB 1.242 32.388 31.823 -1.128 0.000 0.995 567 V HN 0.828 nan 8.190 nan 0.000 0.424 568 K N 2.393 122.557 120.400 -0.393 0.000 3.040 568 K HA 0.451 4.771 4.320 0.001 0.000 0.300 568 K C -1.215 175.388 176.600 0.006 0.000 1.092 568 K CA -1.203 55.046 56.287 -0.064 0.000 0.831 568 K CB 0.863 33.314 32.500 -0.083 0.000 1.469 568 K HN 0.435 nan 8.250 nan 0.000 0.365 569 R N 0.791 121.336 120.500 0.075 0.000 2.756 569 R HA 0.187 4.528 4.340 0.001 0.000 0.264 569 R C 0.299 176.618 176.300 0.032 0.000 1.026 569 R CA -0.279 55.879 56.100 0.097 0.000 1.121 569 R CB -0.125 30.253 30.300 0.130 0.000 0.999 569 R HN 0.508 nan 8.270 nan 0.000 0.449 570 I N 3.580 124.181 120.570 0.052 0.000 2.396 570 I HA 0.146 4.317 4.170 0.001 0.000 0.289 570 I C 0.591 176.683 176.117 -0.041 0.000 1.056 570 I CA 0.330 61.613 61.300 -0.028 0.000 1.365 570 I CB -0.001 37.969 38.000 -0.050 0.000 1.407 570 I HN 0.339 nan 8.210 nan 0.000 0.509 571 H N 5.345 124.299 119.070 -0.193 0.000 3.029 571 H HA 0.194 4.750 4.556 0.001 0.000 0.358 571 H C 0.463 175.656 175.328 -0.225 0.000 1.129 571 H CA -0.322 55.657 56.048 -0.115 0.000 1.230 571 H CB 1.753 31.430 29.762 -0.142 0.000 1.827 571 H HN 0.615 nan 8.280 nan 0.000 0.530 572 E N 2.377 122.560 120.200 -0.029 0.000 2.147 572 E HA -0.283 4.068 4.350 0.001 0.000 0.199 572 E C 1.240 177.666 176.600 -0.290 0.000 1.005 572 E CA 2.181 58.578 56.400 -0.005 0.000 0.810 572 E CB -0.096 29.755 29.700 0.252 0.000 0.736 572 E HN 0.612 nan 8.360 nan 0.000 0.460 573 Y N 0.273 120.244 120.300 -0.547 0.000 2.439 573 Y HA 0.021 4.571 4.550 0.000 0.000 0.292 573 Y C 1.468 177.130 175.900 -0.396 0.000 1.130 573 Y CA 0.714 58.181 58.100 -1.054 0.000 1.254 573 Y CB -0.060 37.781 38.460 -1.030 0.000 1.000 573 Y HN -0.198 nan 8.280 nan 0.000 0.554 574 K N 0.741 120.712 120.400 -0.716 0.000 2.400 574 K HA 0.123 4.444 4.320 0.001 0.000 0.194 574 K C 0.032 176.476 176.600 -0.260 0.000 1.033 574 K CA 0.324 56.303 56.287 -0.513 0.000 1.021 574 K CB 0.045 32.210 32.500 -0.558 0.000 0.808 574 K HN 0.230 nan 8.250 nan 0.000 0.505 575 R N 0.472 120.848 120.500 -0.207 0.000 3.336 575 R HA -0.221 4.119 4.340 0.001 0.000 0.260 575 R C 0.213 176.443 176.300 -0.116 0.000 1.032 575 R CA 0.166 56.192 56.100 -0.123 0.000 0.693 575 R CB -2.026 28.220 30.300 -0.089 0.000 1.134 575 R HN 0.283 nan 8.270 nan 0.000 0.433 576 Q N 0.420 120.149 119.800 -0.120 0.000 2.234 576 Q HA -0.063 4.277 4.340 0.001 0.000 0.206 576 Q C 2.043 178.003 176.000 -0.067 0.000 0.980 576 Q CA 1.524 57.270 55.803 -0.094 0.000 0.869 576 Q CB 0.010 28.694 28.738 -0.091 0.000 0.912 576 Q HN 0.592 nan 8.270 nan 0.000 0.436 577 L N -0.558 120.628 121.223 -0.061 0.000 2.083 577 L HA -0.179 4.162 4.340 0.001 0.000 0.209 577 L C 2.049 178.936 176.870 0.028 0.000 1.083 577 L CA 0.532 55.353 54.840 -0.032 0.000 0.752 577 L CB -0.366 41.684 42.059 -0.015 0.000 0.899 577 L HN 0.308 nan 8.230 nan 0.000 0.433 578 L N 0.022 121.258 121.223 0.022 0.000 2.046 578 L HA -0.251 4.089 4.340 0.001 0.000 0.208 578 L C 2.033 178.997 176.870 0.156 0.000 1.077 578 L CA 1.973 56.848 54.840 0.059 0.000 0.747 578 L CB -0.787 41.214 42.059 -0.096 0.000 0.896 578 L HN 0.283 nan 8.230 nan 0.000 0.432 579 N N -1.649 117.103 118.700 0.087 0.000 2.120 579 N HA -0.232 4.509 4.740 0.001 0.000 0.188 579 N C 1.939 177.535 175.510 0.143 0.000 1.024 579 N CA 1.547 54.717 53.050 0.200 0.000 0.852 579 N CB -0.137 38.390 38.487 0.068 0.000 1.003 579 N HN 0.510 nan 8.380 nan 0.000 0.424 580 C N 0.611 119.933 119.300 0.036 0.000 2.398 580 C HA -0.108 4.352 4.460 0.001 0.000 0.276 580 C C 2.603 177.597 174.990 0.007 0.000 1.222 580 C CA 0.449 59.440 59.018 -0.044 0.000 1.746 580 C CB -1.292 26.371 27.740 -0.127 0.000 2.039 580 C HN 0.503 nan 8.230 nan 0.000 0.470 581 L N -0.455 120.837 121.223 0.116 0.000 2.017 581 L HA -0.214 4.127 4.340 0.001 0.000 0.208 581 L C 2.773 179.808 176.870 0.275 0.000 1.073 581 L CA 1.933 56.891 54.840 0.197 0.000 0.745 581 L CB -1.083 41.163 42.059 0.311 0.000 0.894 581 L HN 0.581 nan 8.230 nan 0.000 0.432 582 H N -0.044 119.145 119.070 0.198 0.000 2.321 582 H HA -0.157 4.399 4.556 0.000 0.000 0.300 582 H C 2.268 177.587 175.328 -0.015 0.000 1.087 582 H CA 2.052 58.119 56.048 0.032 0.000 1.319 582 H CB 0.274 29.957 29.762 -0.132 0.000 1.379 582 H HN 0.091 nan 8.280 nan 0.000 0.501 583 V N 1.585 121.408 119.914 -0.152 0.000 2.282 583 V HA -0.294 3.826 4.120 0.001 0.000 0.249 583 V C 2.801 178.828 176.094 -0.112 0.000 1.057 583 V CA 2.041 64.222 62.300 -0.198 0.000 1.032 583 V CB -0.514 31.235 31.823 -0.124 0.000 0.645 583 V HN 0.407 nan 8.190 nan 0.000 0.447 584 I N -0.355 120.193 120.570 -0.035 0.000 2.394 584 I HA -0.190 3.980 4.170 0.001 0.000 0.251 584 I C 2.475 178.669 176.117 0.128 0.000 1.136 584 I CA 1.530 62.892 61.300 0.104 0.000 1.425 584 I CB -0.702 37.360 38.000 0.104 0.000 1.079 584 I HN 0.317 nan 8.210 nan 0.000 0.425 585 T N 1.666 116.248 114.554 0.046 0.000 2.708 585 T HA -0.134 4.216 4.350 0.001 0.000 0.266 585 T C 1.972 176.631 174.700 -0.070 0.000 1.037 585 T CA 1.337 63.452 62.100 0.025 0.000 1.146 585 T CB -0.343 68.561 68.868 0.061 0.000 0.865 585 T HN 0.252 nan 8.240 nan 0.000 0.435 586 L N -0.356 120.748 121.223 -0.199 0.000 2.046 586 L HA -0.119 4.222 4.340 0.001 0.000 0.208 586 L C 2.424 179.260 176.870 -0.056 0.000 1.077 586 L CA 1.681 56.410 54.840 -0.185 0.000 0.747 586 L CB -0.700 41.190 42.059 -0.281 0.000 0.896 586 L HN 0.268 nan 8.230 nan 0.000 0.432 587 Y N 1.535 121.779 120.300 -0.093 0.000 2.145 587 Y HA -0.259 4.291 4.550 0.000 0.000 0.286 587 Y C 2.512 178.407 175.900 -0.008 0.000 1.145 587 Y CA 1.759 59.845 58.100 -0.022 0.000 1.148 587 Y CB -0.298 38.195 38.460 0.055 0.000 0.981 587 Y HN 0.204 nan 8.280 nan 0.000 0.507 588 N N 0.354 119.009 118.700 -0.075 0.000 2.188 588 N HA -0.129 4.611 4.740 0.001 0.000 0.184 588 N C 1.918 177.323 175.510 -0.175 0.000 1.018 588 N CA 1.469 54.415 53.050 -0.173 0.000 0.858 588 N CB -0.392 38.068 38.487 -0.046 0.000 0.989 588 N HN 0.422 nan 8.380 nan 0.000 0.426 589 R N 0.398 120.823 120.500 -0.124 0.000 2.096 589 R HA 0.063 4.403 4.340 0.001 0.000 0.235 589 R C 2.205 178.426 176.300 -0.132 0.000 1.127 589 R CA 0.753 56.786 56.100 -0.110 0.000 0.968 589 R CB -0.245 30.000 30.300 -0.091 0.000 0.861 589 R HN 0.225 nan 8.270 nan 0.000 0.440 590 I N 0.795 121.269 120.570 -0.161 0.000 2.179 590 I HA -0.278 3.893 4.170 0.001 0.000 0.242 590 I C 2.085 178.095 176.117 -0.179 0.000 1.088 590 I CA 1.199 62.406 61.300 -0.156 0.000 1.357 590 I CB -0.103 37.809 38.000 -0.147 0.000 1.051 590 I HN -0.002 nan 8.210 nan 0.000 0.409 591 K N 1.029 121.263 120.400 -0.278 0.000 2.097 591 K HA -0.146 4.175 4.320 0.001 0.000 0.206 591 K C 1.995 178.498 176.600 -0.162 0.000 1.049 591 K CA 1.350 57.484 56.287 -0.256 0.000 0.933 591 K CB -0.351 31.916 32.500 -0.389 0.000 0.717 591 K HN 0.343 nan 8.250 nan 0.000 0.442 592 K N 0.631 120.944 120.400 -0.146 0.000 2.097 592 K HA -0.079 4.241 4.320 0.001 0.000 0.205 592 K C 0.292 176.846 176.600 -0.077 0.000 1.050 592 K CA 1.010 57.236 56.287 -0.102 0.000 0.938 592 K CB 0.139 32.584 32.500 -0.091 0.000 0.718 592 K HN 0.175 nan 8.250 nan 0.000 0.442 593 E N 0.094 120.248 120.200 -0.077 0.000 3.374 593 E HA 0.086 4.436 4.350 0.001 0.000 0.223 593 E C -2.172 174.396 176.600 -0.052 0.000 1.210 593 E CA -1.303 55.065 56.400 -0.053 0.000 0.987 593 E CB 1.333 31.008 29.700 -0.043 0.000 1.322 593 E HN 0.047 nan 8.360 nan 0.000 0.404 594 P HA -0.169 nan 4.420 nan 0.000 0.219 594 P C 0.570 177.857 177.300 -0.022 0.000 1.146 594 P CA 1.084 64.157 63.100 -0.045 0.000 0.808 594 P CB 0.372 32.047 31.700 -0.041 0.000 0.779 595 N N -0.279 118.416 118.700 -0.009 0.000 2.467 595 N HA -0.033 4.707 4.740 0.001 0.000 0.184 595 N C 0.890 176.419 175.510 0.032 0.000 1.106 595 N CA 0.424 53.481 53.050 0.012 0.000 0.892 595 N CB -0.094 38.399 38.487 0.011 0.000 0.969 595 N HN 0.334 nan 8.380 nan 0.000 0.454 596 K N 0.904 121.316 120.400 0.019 0.000 2.276 596 K HA 0.052 4.372 4.320 0.001 0.000 0.283 596 K C -0.589 176.051 176.600 0.068 0.000 1.044 596 K CA -0.490 55.825 56.287 0.046 0.000 0.944 596 K CB 0.438 32.946 32.500 0.014 0.000 1.012 596 K HN -0.189 nan 8.250 nan 0.000 0.472 597 F N 5.425 125.364 119.950 -0.018 0.000 2.529 597 F HA 0.156 4.684 4.527 0.000 0.000 0.365 597 F C -0.444 175.343 175.800 -0.021 0.000 1.102 597 F CA 0.023 58.013 58.000 -0.016 0.000 1.271 597 F CB 0.608 39.601 39.000 -0.011 0.000 1.120 597 F HN 0.240 nan 8.300 nan 0.000 0.579 598 V N 4.219 123.568 119.914 -0.941 0.000 2.876 598 V HA 0.526 4.646 4.120 0.001 0.000 0.312 598 V C -0.717 174.742 176.094 -1.058 0.000 1.085 598 V CA -1.251 60.615 62.300 -0.724 0.000 0.945 598 V CB 1.016 32.617 31.823 -0.371 0.000 1.017 598 V HN 0.591 nan 8.190 nan 0.000 0.428 599 V N 4.848 124.428 119.914 -0.556 0.000 2.458 599 V HA 0.159 4.279 4.120 0.001 0.000 0.287 599 V C -1.811 174.109 176.094 -0.290 0.000 1.009 599 V CA -0.312 61.799 62.300 -0.315 0.000 1.091 599 V CB 0.270 32.029 31.823 -0.106 0.000 0.960 599 V HN 0.898 nan 8.190 nan 0.000 0.476 600 P HA 0.256 nan 4.420 nan 0.000 0.266 600 P C -0.310 176.891 177.300 -0.165 0.000 1.195 600 P CA 0.162 63.165 63.100 -0.163 0.000 0.768 600 P CB 0.495 32.151 31.700 -0.073 0.000 0.838 601 R N 1.052 121.466 120.500 -0.144 0.000 2.771 601 R HA 0.570 4.910 4.340 0.001 0.000 0.274 601 R C -0.831 175.411 176.300 -0.097 0.000 0.987 601 R CA -0.678 55.336 56.100 -0.142 0.000 0.908 601 R CB 1.986 32.186 30.300 -0.166 0.000 1.213 601 R HN 0.261 nan 8.270 nan 0.000 0.468 602 T N 1.876 116.381 114.554 -0.082 0.000 2.893 602 T HA 0.238 4.588 4.350 0.001 0.000 0.324 602 T C -0.427 174.173 174.700 -0.167 0.000 1.082 602 T CA -0.462 61.550 62.100 -0.146 0.000 0.983 602 T CB 0.931 69.633 68.868 -0.277 0.000 1.005 602 T HN 0.135 nan 8.240 nan 0.000 0.475 603 V N 5.848 125.675 119.914 -0.145 0.000 2.385 603 V HA 0.417 4.537 4.120 0.001 0.000 0.269 603 V C 0.147 176.152 176.094 -0.148 0.000 1.043 603 V CA -0.377 61.844 62.300 -0.132 0.000 0.906 603 V CB 0.664 32.424 31.823 -0.106 0.000 0.995 603 V HN 0.835 nan 8.190 nan 0.000 0.467 604 M N 6.537 126.038 119.600 -0.164 0.000 2.227 604 M HA 0.617 5.097 4.480 0.001 0.000 0.335 604 M C -0.960 175.219 176.300 -0.202 0.000 1.053 604 M CA -0.218 54.972 55.300 -0.183 0.000 0.973 604 M CB 2.048 34.530 32.600 -0.196 0.000 1.623 604 M HN 0.419 nan 8.290 nan 0.000 0.434 605 I N 1.783 122.208 120.570 -0.241 0.000 2.498 605 I HA 0.807 4.977 4.170 0.001 0.000 0.290 605 I C 0.062 175.834 176.117 -0.575 0.000 1.032 605 I CA -0.627 60.505 61.300 -0.280 0.000 1.073 605 I CB 2.280 40.203 38.000 -0.128 0.000 1.251 605 I HN 0.809 nan 8.210 nan 0.000 0.426 606 G N 2.941 111.370 108.800 -0.618 0.000 2.690 606 G HA2 0.851 4.812 3.960 0.001 0.000 0.291 606 G HA3 0.851 4.812 3.960 0.001 0.000 0.291 606 G C -1.028 173.611 174.900 -0.435 0.000 1.403 606 G CA -0.831 43.733 45.100 -0.893 0.000 0.864 606 G HN 0.980 nan 8.290 nan 0.000 0.480 607 G N -0.492 108.237 108.800 -0.119 0.000 2.352 607 G HA2 0.414 4.375 3.960 0.001 0.000 0.303 607 G HA3 0.414 4.375 3.960 0.001 0.000 0.303 607 G C -1.297 173.773 174.900 0.284 0.000 1.593 607 G CA -1.017 44.162 45.100 0.131 0.000 0.963 607 G HN 0.598 nan 8.290 nan 0.000 0.685 608 K N -0.040 120.501 120.400 0.235 0.000 2.110 608 K HA 0.751 5.071 4.320 0.001 0.000 0.263 608 K C 0.287 177.033 176.600 0.242 0.000 0.975 608 K CA -0.228 56.209 56.287 0.250 0.000 0.895 608 K CB 2.066 34.604 32.500 0.065 0.000 1.060 608 K HN 0.851 nan 8.250 nan 0.000 0.448 609 A N 1.454 124.449 122.820 0.290 0.000 2.305 609 A HA 0.621 4.941 4.320 0.001 0.000 0.322 609 A C -0.347 177.420 177.584 0.306 0.000 1.187 609 A CA -0.686 51.468 52.037 0.194 0.000 0.825 609 A CB 0.898 19.931 19.000 0.056 0.000 1.164 609 A HN 0.779 nan 8.150 nan 0.000 0.498 610 A N 3.529 126.525 122.820 0.294 0.000 2.498 610 A HA 0.543 4.863 4.320 0.001 0.000 0.239 610 A C -2.395 175.291 177.584 0.170 0.000 1.068 610 A CA -0.968 51.242 52.037 0.288 0.000 0.766 610 A CB -0.631 18.521 19.000 0.253 0.000 1.003 610 A HN 0.583 nan 8.150 nan 0.000 0.497 611 P HA 0.296 nan 4.420 nan 0.000 0.268 611 P C 1.074 178.389 177.300 0.026 0.000 1.204 611 P CA 1.634 64.706 63.100 -0.047 0.000 0.768 611 P CB 0.800 32.415 31.700 -0.141 0.000 0.842 612 G N 1.967 110.786 108.800 0.032 0.000 2.268 612 G HA2 -0.283 3.677 3.960 0.001 0.000 0.240 612 G HA3 -0.283 3.677 3.960 0.001 0.000 0.240 612 G C -0.151 174.803 174.900 0.092 0.000 1.010 612 G CA -0.312 44.817 45.100 0.048 0.000 0.618 612 G HN 0.550 nan 8.290 nan 0.000 0.516 613 Y N 3.290 123.558 120.300 -0.053 0.000 2.691 613 Y HA 0.446 4.996 4.550 0.000 0.000 0.338 613 Y C 1.463 177.354 175.900 -0.014 0.000 1.148 613 Y CA -0.668 57.378 58.100 -0.090 0.000 1.430 613 Y CB -0.885 37.496 38.460 -0.133 0.000 1.303 613 Y HN 0.424 nan 8.280 nan 0.000 0.499 614 H N 3.724 122.905 119.070 0.185 0.000 2.289 614 H HA -0.248 4.308 4.556 0.001 0.000 0.294 614 H C 1.719 177.071 175.328 0.040 0.000 1.095 614 H CA 2.458 58.562 56.048 0.094 0.000 1.256 614 H CB 0.375 30.187 29.762 0.084 0.000 1.359 614 H HN 0.624 nan 8.280 nan 0.000 0.487 615 M N 0.926 120.509 119.600 -0.030 0.000 2.149 615 M HA -0.093 4.388 4.480 0.001 0.000 0.261 615 M C 2.497 178.555 176.300 -0.404 0.000 1.064 615 M CA 1.834 57.026 55.300 -0.181 0.000 1.102 615 M CB -0.646 31.973 32.600 0.033 0.000 1.369 615 M HN 0.335 nan 8.290 nan 0.000 0.408 616 A N -0.434 121.908 122.820 -0.796 0.000 1.933 616 A HA -0.185 4.136 4.320 0.001 0.000 0.218 616 A C 2.208 179.577 177.584 -0.359 0.000 1.175 616 A CA 1.833 53.418 52.037 -0.753 0.000 0.628 616 A CB -0.638 17.660 19.000 -1.171 0.000 0.814 616 A HN 0.588 nan 8.150 nan 0.000 0.444 617 K N -1.125 119.122 120.400 -0.255 0.000 2.097 617 K HA -0.058 4.262 4.320 0.001 0.000 0.205 617 K C 1.941 178.494 176.600 -0.078 0.000 1.050 617 K CA 1.311 57.540 56.287 -0.097 0.000 0.938 617 K CB -0.208 32.297 32.500 0.009 0.000 0.718 617 K HN 0.350 nan 8.250 nan 0.000 0.442 618 M N 0.443 119.944 119.600 -0.166 0.000 2.229 618 M HA -0.075 4.406 4.480 0.001 0.000 0.264 618 M C 2.116 178.333 176.300 -0.139 0.000 1.063 618 M CA 1.347 56.590 55.300 -0.094 0.000 1.114 618 M CB -0.639 31.905 32.600 -0.093 0.000 1.387 618 M HN 0.122 nan 8.290 nan 0.000 0.420 619 I N 0.115 120.569 120.570 -0.193 0.000 2.179 619 I HA -0.316 3.854 4.170 0.001 0.000 0.242 619 I C 2.311 178.287 176.117 -0.235 0.000 1.088 619 I CA 1.142 62.318 61.300 -0.206 0.000 1.357 619 I CB -0.311 37.572 38.000 -0.195 0.000 1.051 619 I HN 0.172 nan 8.210 nan 0.000 0.409 620 I N 0.664 121.078 120.570 -0.261 0.000 2.163 620 I HA -0.337 3.833 4.170 0.001 0.000 0.243 620 I C 2.596 178.431 176.117 -0.471 0.000 1.085 620 I CA 1.450 62.493 61.300 -0.427 0.000 1.347 620 I CB -0.391 37.309 38.000 -0.501 0.000 1.044 620 I HN 0.184 nan 8.210 nan 0.000 0.408 621 K N 1.323 121.457 120.400 -0.444 0.000 2.097 621 K HA -0.193 4.127 4.320 0.001 0.000 0.206 621 K C 1.969 178.374 176.600 -0.324 0.000 1.049 621 K CA 1.365 57.310 56.287 -0.571 0.000 0.933 621 K CB -0.467 31.360 32.500 -1.122 0.000 0.717 621 K HN 0.127 nan 8.250 nan 0.000 0.442 622 L N 0.797 121.827 121.223 -0.322 0.000 2.046 622 L HA -0.020 4.320 4.340 0.001 0.000 0.208 622 L C 1.896 178.504 176.870 -0.436 0.000 1.077 622 L CA 1.591 56.072 54.840 -0.599 0.000 0.747 622 L CB -0.383 41.232 42.059 -0.740 0.000 0.896 622 L HN 0.288 nan 8.230 nan 0.000 0.432 623 I N -0.653 119.732 120.570 -0.308 0.000 2.163 623 I HA -0.334 3.836 4.170 0.001 0.000 0.243 623 I C 2.469 178.481 176.117 -0.174 0.000 1.085 623 I CA 1.844 63.025 61.300 -0.198 0.000 1.347 623 I CB -0.915 37.070 38.000 -0.026 0.000 1.044 623 I HN 0.469 nan 8.210 nan 0.000 0.408 624 T N -0.682 113.752 114.554 -0.199 0.000 2.788 624 T HA -0.117 4.233 4.350 0.001 0.000 0.268 624 T C 1.993 176.619 174.700 -0.124 0.000 1.044 624 T CA 1.034 63.045 62.100 -0.148 0.000 1.139 624 T CB -0.558 68.190 68.868 -0.199 0.000 0.867 624 T HN 0.349 nan 8.240 nan 0.000 0.454 625 A N 1.451 124.185 122.820 -0.143 0.000 1.930 625 A HA 0.152 4.472 4.320 0.001 0.000 0.217 625 A C 2.398 179.956 177.584 -0.044 0.000 1.175 625 A CA 1.225 53.238 52.037 -0.039 0.000 0.627 625 A CB -0.814 18.251 19.000 0.108 0.000 0.815 625 A HN 0.591 nan 8.150 nan 0.000 0.443 626 I N -0.269 120.156 120.570 -0.242 0.000 2.142 626 I HA -0.225 3.946 4.170 0.001 0.000 0.240 626 I C 2.751 178.779 176.117 -0.147 0.000 1.078 626 I CA 1.230 62.331 61.300 -0.333 0.000 1.343 626 I CB -0.728 36.971 38.000 -0.503 0.000 1.046 626 I HN 0.395 nan 8.210 nan 0.000 0.405 627 G N 0.456 109.174 108.800 -0.137 0.000 2.440 627 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 627 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 627 G C 1.253 176.113 174.900 -0.067 0.000 1.154 627 G CA 1.085 46.120 45.100 -0.110 0.000 0.767 627 G HN 0.300 nan 8.290 nan 0.000 0.552 628 D N -0.077 120.325 120.400 0.002 0.000 2.182 628 D HA -0.079 4.562 4.640 0.001 0.000 0.201 628 D C 2.641 179.011 176.300 0.117 0.000 0.986 628 D CA 0.652 54.716 54.000 0.107 0.000 0.847 628 D CB -0.084 40.752 40.800 0.060 0.000 0.942 628 D HN 0.269 nan 8.370 nan 0.000 0.467 629 V N -0.020 119.895 119.914 0.002 0.000 2.374 629 V HA -0.114 4.006 4.120 0.001 0.000 0.241 629 V C 2.563 178.574 176.094 -0.138 0.000 1.034 629 V CA 0.618 62.859 62.300 -0.098 0.000 1.037 629 V CB -0.135 31.545 31.823 -0.239 0.000 0.682 629 V HN 0.012 nan 8.190 nan 0.000 0.463 630 V N 1.074 120.846 119.914 -0.238 0.000 2.343 630 V HA -0.205 3.915 4.120 0.001 0.000 0.247 630 V C 2.109 178.124 176.094 -0.131 0.000 1.051 630 V CA 2.049 64.177 62.300 -0.286 0.000 1.036 630 V CB -0.811 30.841 31.823 -0.284 0.000 0.654 630 V HN 0.575 nan 8.190 nan 0.000 0.451 631 N N -0.507 118.066 118.700 -0.211 0.000 2.515 631 N HA -0.068 4.672 4.740 0.001 0.000 0.185 631 N C 1.149 176.384 175.510 -0.459 0.000 1.109 631 N CA 0.810 53.663 53.050 -0.328 0.000 0.903 631 N CB -0.239 37.984 38.487 -0.440 0.000 0.969 631 N HN 0.680 nan 8.380 nan 0.000 0.450 632 H N -1.456 117.613 119.070 -0.002 0.000 2.674 632 H HA 0.203 4.759 4.556 0.001 0.000 0.274 632 H C -0.539 174.808 175.328 0.031 0.000 1.121 632 H CA -0.463 55.590 56.048 0.008 0.000 1.132 632 H CB 0.640 30.397 29.762 -0.009 0.000 1.606 632 H HN -0.035 nan 8.280 nan 0.000 0.558 633 D N 2.194 122.668 120.400 0.122 0.000 2.339 633 D HA 0.035 4.675 4.640 0.001 0.000 0.241 633 D C -1.417 174.949 176.300 0.110 0.000 1.183 633 D CA -2.280 51.811 54.000 0.152 0.000 0.859 633 D CB 1.678 42.646 40.800 0.279 0.000 1.067 633 D HN 0.147 nan 8.370 nan 0.000 0.484 634 P HA -0.120 nan 4.420 nan 0.000 0.220 634 P C 1.511 178.840 177.300 0.048 0.000 1.148 634 P CA 0.376 63.512 63.100 0.060 0.000 0.803 634 P CB 0.545 32.275 31.700 0.049 0.000 0.782 635 V N 0.063 120.006 119.914 0.050 0.000 2.427 635 V HA -0.160 3.960 4.120 0.001 0.000 0.248 635 V C 2.787 178.894 176.094 0.021 0.000 1.051 635 V CA 1.490 63.805 62.300 0.024 0.000 1.048 635 V CB -0.990 30.835 31.823 0.004 0.000 0.666 635 V HN -0.037 nan 8.190 nan 0.000 0.456 636 V N -0.220 119.725 119.914 0.051 0.000 2.379 636 V HA 0.107 4.228 4.120 0.001 0.000 0.245 636 V C 1.931 178.041 176.094 0.027 0.000 1.044 636 V CA 1.572 63.900 62.300 0.046 0.000 1.036 636 V CB -1.124 30.771 31.823 0.119 0.000 0.664 636 V HN 0.719 nan 8.190 nan 0.000 0.453 637 G N 1.690 110.511 108.800 0.036 0.000 2.596 637 G HA2 -0.405 3.556 3.960 0.001 0.000 0.304 637 G HA3 -0.405 3.556 3.960 0.001 0.000 0.304 637 G C 0.407 175.320 174.900 0.021 0.000 1.189 637 G CA 0.601 45.718 45.100 0.028 0.000 0.986 637 G HN 0.676 nan 8.290 nan 0.000 0.548 638 D N 0.536 120.949 120.400 0.022 0.000 2.388 638 D HA 0.195 4.836 4.640 0.001 0.000 0.221 638 D C 1.880 178.178 176.300 -0.004 0.000 1.133 638 D CA 0.118 54.131 54.000 0.022 0.000 0.831 638 D CB -0.132 40.699 40.800 0.052 0.000 0.962 638 D HN 0.616 nan 8.370 nan 0.000 0.502 639 R N -0.551 119.935 120.500 -0.024 0.000 2.193 639 R HA 0.205 4.545 4.340 0.001 0.000 0.213 639 R C 0.028 176.282 176.300 -0.077 0.000 1.055 639 R CA 0.361 56.420 56.100 -0.068 0.000 0.995 639 R CB 0.161 30.409 30.300 -0.087 0.000 0.893 639 R HN 0.114 nan 8.270 nan 0.000 0.459 640 L N -0.020 121.174 121.223 -0.047 0.000 2.543 640 L HA 0.400 4.740 4.340 0.001 0.000 0.265 640 L C -1.608 175.230 176.870 -0.055 0.000 0.945 640 L CA -0.671 54.135 54.840 -0.057 0.000 0.869 640 L CB 1.910 43.949 42.059 -0.033 0.000 1.294 640 L HN -0.173 nan 8.230 nan 0.000 0.405 641 R N 3.139 123.591 120.500 -0.081 0.000 2.673 641 R HA 0.907 5.247 4.340 0.001 0.000 0.281 641 R C -1.914 174.317 176.300 -0.114 0.000 0.991 641 R CA -0.618 55.423 56.100 -0.097 0.000 0.896 641 R CB 2.288 32.530 30.300 -0.096 0.000 1.201 641 R HN 0.452 nan 8.270 nan 0.000 0.457 642 V N 6.352 126.195 119.914 -0.118 0.000 2.443 642 V HA 0.463 4.584 4.120 0.001 0.000 0.293 642 V C -0.269 175.765 176.094 -0.100 0.000 1.021 642 V CA -0.635 61.596 62.300 -0.116 0.000 0.848 642 V CB 1.252 33.001 31.823 -0.124 0.000 0.998 642 V HN 0.681 nan 8.190 nan 0.000 0.424 643 I N 1.170 121.682 120.570 -0.097 0.000 2.646 643 I HA 0.699 4.869 4.170 0.001 0.000 0.299 643 I C -1.185 174.908 176.117 -0.040 0.000 1.036 643 I CA -0.871 60.391 61.300 -0.064 0.000 1.074 643 I CB 2.267 40.215 38.000 -0.086 0.000 1.258 643 I HN 0.477 nan 8.210 nan 0.000 0.430 644 F N 5.853 125.741 119.950 -0.104 0.000 2.405 644 F HA 0.578 5.105 4.527 0.001 0.000 0.355 644 F C -0.800 174.946 175.800 -0.090 0.000 1.121 644 F CA -0.614 57.328 58.000 -0.097 0.000 1.112 644 F CB 1.075 40.020 39.000 -0.091 0.000 1.126 644 F HN 0.365 nan 8.300 nan 0.000 0.481 645 L N 6.211 127.010 121.223 -0.706 0.000 2.283 645 L HA 0.263 4.604 4.340 0.001 0.000 0.287 645 L C 0.249 176.886 176.870 -0.388 0.000 1.073 645 L CA -0.364 54.225 54.840 -0.418 0.000 0.822 645 L CB 0.861 42.756 42.059 -0.274 0.000 1.186 645 L HN 0.644 nan 8.230 nan 0.000 0.436 646 E N 4.088 124.180 120.200 -0.180 0.000 2.373 646 E HA -0.056 4.294 4.350 0.001 0.000 0.267 646 E C 0.260 176.908 176.600 0.079 0.000 1.032 646 E CA -0.306 56.134 56.400 0.067 0.000 0.889 646 E CB 0.439 30.182 29.700 0.071 0.000 0.984 646 E HN 0.593 nan 8.360 nan 0.000 0.425 647 N N 2.638 121.464 118.700 0.210 0.000 2.756 647 N HA -0.269 4.471 4.740 0.001 0.000 0.248 647 N C -1.606 174.005 175.510 0.167 0.000 1.062 647 N CA 0.514 53.685 53.050 0.201 0.000 0.696 647 N CB -1.712 36.920 38.487 0.241 0.000 0.946 647 N HN 0.515 nan 8.380 nan 0.000 0.548 648 Y N 1.749 122.068 120.300 0.033 0.000 2.620 648 Y HA 0.230 4.780 4.550 0.000 0.000 0.330 648 Y C 1.058 176.989 175.900 0.053 0.000 1.186 648 Y CA 0.661 58.766 58.100 0.009 0.000 1.467 648 Y CB 0.331 38.759 38.460 -0.053 0.000 1.262 648 Y HN 0.377 nan 8.280 nan 0.000 0.550 649 R N 2.521 122.636 120.500 -0.642 0.000 2.741 649 R HA 0.377 4.718 4.340 0.001 0.000 0.276 649 R C -0.702 175.332 176.300 -0.443 0.000 1.028 649 R CA -0.652 55.239 56.100 -0.347 0.000 0.865 649 R CB 0.314 30.609 30.300 -0.009 0.000 1.268 649 R HN 0.372 nan 8.270 nan 0.000 0.475 650 V N 1.129 120.799 119.914 -0.406 0.000 2.282 650 V HA -0.305 3.816 4.120 0.001 0.000 0.249 650 V C 2.579 178.566 176.094 -0.178 0.000 1.057 650 V CA 2.891 64.980 62.300 -0.352 0.000 1.032 650 V CB -0.768 30.759 31.823 -0.494 0.000 0.645 650 V HN 0.946 nan 8.190 nan 0.000 0.447 651 S N -0.041 115.583 115.700 -0.126 0.000 2.399 651 S HA -0.187 4.283 4.470 0.001 0.000 0.231 651 S C 1.904 176.459 174.600 -0.074 0.000 1.022 651 S CA 1.740 59.884 58.200 -0.093 0.000 0.983 651 S CB -0.499 62.679 63.200 -0.036 0.000 0.803 651 S HN 0.406 nan 8.310 nan 0.000 0.480 652 L N 1.672 122.865 121.223 -0.050 0.000 2.179 652 L HA 0.384 4.724 4.340 0.001 0.000 0.208 652 L C 2.617 179.517 176.870 0.050 0.000 1.096 652 L CA 1.257 56.108 54.840 0.017 0.000 0.779 652 L CB -1.200 40.935 42.059 0.126 0.000 0.922 652 L HN 0.351 nan 8.230 nan 0.000 0.443 653 A N -0.732 122.101 122.820 0.021 0.000 1.933 653 A HA -0.202 4.118 4.320 0.001 0.000 0.218 653 A C 2.124 179.786 177.584 0.130 0.000 1.175 653 A CA 1.678 53.805 52.037 0.149 0.000 0.628 653 A CB -0.535 18.558 19.000 0.156 0.000 0.814 653 A HN 0.578 nan 8.150 nan 0.000 0.444 654 E N -0.357 119.892 120.200 0.082 0.000 2.268 654 E HA -0.146 4.204 4.350 0.001 0.000 0.195 654 E C 1.819 178.395 176.600 -0.039 0.000 0.995 654 E CA 1.080 57.480 56.400 -0.001 0.000 0.836 654 E CB -0.034 29.563 29.700 -0.172 0.000 0.763 654 E HN 0.625 nan 8.360 nan 0.000 0.491 655 K N 0.083 120.450 120.400 -0.054 0.000 2.141 655 K HA 0.032 4.352 4.320 0.001 0.000 0.202 655 K C 2.123 178.656 176.600 -0.111 0.000 1.045 655 K CA 0.407 56.675 56.287 -0.032 0.000 0.971 655 K CB 0.002 32.459 32.500 -0.072 0.000 0.795 655 K HN -0.061 nan 8.250 nan 0.000 0.459 656 V N 1.929 121.674 119.914 -0.282 0.000 2.719 656 V HA -0.099 4.022 4.120 0.001 0.000 0.252 656 V C 1.809 177.660 176.094 -0.404 0.000 1.065 656 V CA 1.135 63.013 62.300 -0.702 0.000 1.086 656 V CB -0.199 31.212 31.823 -0.686 0.000 0.700 656 V HN 0.243 nan 8.190 nan 0.000 0.467 657 I N 0.641 121.023 120.570 -0.314 0.000 2.252 657 I HA -0.088 4.082 4.170 0.001 0.000 0.245 657 I C -0.308 175.665 176.117 -0.240 0.000 1.102 657 I CA 1.301 62.315 61.300 -0.477 0.000 1.385 657 I CB -1.387 36.201 38.000 -0.686 0.000 1.064 657 I HN 0.359 nan 8.210 nan 0.000 0.414 658 P HA -0.096 nan 4.420 nan 0.000 0.222 658 P C 1.058 178.348 177.300 -0.016 0.000 1.147 658 P CA 1.146 64.220 63.100 -0.044 0.000 0.790 658 P CB 0.054 31.743 31.700 -0.018 0.000 0.780 659 A N -1.027 121.772 122.820 -0.035 0.000 2.218 659 A HA 0.431 4.751 4.320 0.001 0.000 0.209 659 A C 1.206 178.857 177.584 0.110 0.000 1.168 659 A CA 0.164 52.224 52.037 0.039 0.000 0.804 659 A CB -0.763 18.303 19.000 0.111 0.000 0.834 659 A HN 0.200 nan 8.150 nan 0.000 0.482 660 A N -0.099 122.794 122.820 0.121 0.000 2.371 660 A HA 0.455 4.775 4.320 0.001 0.000 0.257 660 A C 0.401 178.120 177.584 0.225 0.000 1.089 660 A CA -0.088 52.089 52.037 0.234 0.000 0.794 660 A CB 0.335 19.584 19.000 0.414 0.000 1.029 660 A HN 0.292 nan 8.150 nan 0.000 0.488 661 D N 0.064 120.597 120.400 0.222 0.000 2.431 661 D HA 0.111 4.752 4.640 0.001 0.000 0.235 661 D C -0.221 176.303 176.300 0.373 0.000 0.980 661 D CA 0.775 54.958 54.000 0.305 0.000 0.912 661 D CB 0.248 41.128 40.800 0.133 0.000 1.056 661 D HN 0.342 nan 8.370 nan 0.000 0.494 662 L N 0.563 121.888 121.223 0.171 0.000 2.362 662 L HA 0.366 4.706 4.340 0.001 0.000 0.275 662 L C -0.761 176.013 176.870 -0.159 0.000 0.998 662 L CA -0.530 54.343 54.840 0.056 0.000 0.820 662 L CB 2.149 44.214 42.059 0.010 0.000 1.270 662 L HN -0.283 nan 8.230 nan 0.000 0.415 663 S N 4.064 119.577 115.700 -0.312 0.000 2.422 663 S HA 0.463 4.933 4.470 0.001 0.000 0.308 663 S C -0.660 173.663 174.600 -0.463 0.000 1.097 663 S CA -0.645 57.091 58.200 -0.774 0.000 1.099 663 S CB 0.357 63.024 63.200 -0.887 0.000 0.976 663 S HN 0.624 nan 8.310 nan 0.000 0.471 664 E N 4.036 123.974 120.200 -0.437 0.000 2.089 664 E HA 0.223 4.573 4.350 0.001 0.000 0.284 664 E C -0.516 175.970 176.600 -0.190 0.000 1.023 664 E CA -0.381 55.896 56.400 -0.205 0.000 0.819 664 E CB 1.065 30.672 29.700 -0.155 0.000 1.076 664 E HN 0.610 nan 8.360 nan 0.000 0.396 665 Q N 2.805 122.550 119.800 -0.091 0.000 3.122 665 Q HA 0.256 4.597 4.340 0.001 0.000 0.282 665 Q C 0.673 176.652 176.000 -0.035 0.000 0.947 665 Q CA -0.108 55.650 55.803 -0.076 0.000 0.812 665 Q CB 0.211 28.913 28.738 -0.060 0.000 1.333 665 Q HN 0.613 nan 8.270 nan 0.000 0.430 666 I N -1.927 118.612 120.570 -0.053 0.000 3.816 666 I HA 0.249 4.420 4.170 0.001 0.000 0.334 666 I C 0.523 176.588 176.117 -0.087 0.000 1.551 666 I CA -0.640 60.636 61.300 -0.040 0.000 1.153 666 I CB 0.384 38.350 38.000 -0.057 0.000 1.197 666 I HN -0.012 nan 8.210 nan 0.000 0.439 667 S N 0.608 116.260 115.700 -0.080 0.000 2.566 667 S HA 0.103 4.574 4.470 0.001 0.000 0.280 667 S C 0.580 175.163 174.600 -0.028 0.000 1.343 667 S CA -0.221 57.958 58.200 -0.036 0.000 1.036 667 S CB 0.101 63.333 63.200 0.053 0.000 0.866 667 S HN 0.388 nan 8.310 nan 0.000 0.526 668 T N 2.672 117.244 114.554 0.031 0.000 2.902 668 T HA 0.411 4.761 4.350 0.001 0.000 0.301 668 T C 0.765 175.469 174.700 0.007 0.000 1.012 668 T CA 0.259 62.379 62.100 0.032 0.000 1.151 668 T CB 0.102 69.063 68.868 0.155 0.000 0.946 668 T HN 1.020 nan 8.240 nan 0.000 0.542 669 A N 2.583 125.375 122.820 -0.046 0.000 2.584 669 A HA 0.445 4.765 4.320 0.001 0.000 0.239 669 A C 1.667 179.238 177.584 -0.021 0.000 1.043 669 A CA 0.332 52.337 52.037 -0.052 0.000 0.756 669 A CB -0.906 18.050 19.000 -0.074 0.000 0.963 669 A HN 1.693 nan 8.150 nan 0.000 0.511 670 G N 1.347 110.132 108.800 -0.024 0.000 2.195 670 G HA2 -0.267 3.693 3.960 0.001 0.000 0.246 670 G HA3 -0.267 3.693 3.960 0.001 0.000 0.246 670 G C 0.904 175.783 174.900 -0.034 0.000 0.984 670 G CA 1.208 46.297 45.100 -0.019 0.000 0.633 670 G HN 2.001 nan 8.290 nan 0.000 0.525 671 T N -2.426 112.102 114.554 -0.044 0.000 3.000 671 T HA 0.432 4.783 4.350 0.001 0.000 0.248 671 T C 0.704 175.217 174.700 -0.312 0.000 1.034 671 T CA 1.029 63.020 62.100 -0.180 0.000 1.060 671 T CB 0.637 69.443 68.868 -0.102 0.000 0.983 671 T HN 0.322 nan 8.240 nan 0.000 0.482 672 E N 1.411 121.571 120.200 -0.068 0.000 2.089 672 E HA 0.667 5.017 4.350 0.001 0.000 0.284 672 E C 1.107 177.646 176.600 -0.101 0.000 1.023 672 E CA 0.004 56.405 56.400 0.001 0.000 0.819 672 E CB 0.953 30.716 29.700 0.106 0.000 1.076 672 E HN 0.286 nan 8.360 nan 0.000 0.396 673 A N 3.431 126.126 122.820 -0.208 0.000 1.908 673 A HA -0.162 4.158 4.320 0.001 0.000 0.218 673 A C 1.949 179.418 177.584 -0.192 0.000 1.181 673 A CA 2.101 53.910 52.037 -0.381 0.000 0.627 673 A CB -0.194 18.361 19.000 -0.741 0.000 0.818 673 A HN 0.606 nan 8.150 nan 0.000 0.445 674 S N -3.787 111.853 115.700 -0.099 0.000 3.770 674 S HA 0.452 4.922 4.470 0.001 0.000 0.238 674 S C 0.704 175.292 174.600 -0.020 0.000 1.143 674 S CA 1.451 59.636 58.200 -0.025 0.000 0.869 674 S CB -0.124 63.088 63.200 0.019 0.000 1.057 674 S HN 2.246 nan 8.310 nan 0.000 0.507 675 G N 0.231 109.025 108.800 -0.010 0.000 2.692 675 G HA2 -0.017 3.943 3.960 0.001 0.000 0.686 675 G HA3 -0.017 3.943 3.960 0.001 0.000 0.686 675 G C 0.227 175.109 174.900 -0.031 0.000 1.243 675 G CA 0.423 45.514 45.100 -0.015 0.000 0.782 675 G HN 1.328 nan 8.290 nan 0.000 0.625 676 T N -2.453 112.069 114.554 -0.054 0.000 3.029 676 T HA 0.381 4.731 4.350 0.001 0.000 0.256 676 T C 2.316 176.920 174.700 -0.161 0.000 0.914 676 T CA 1.265 63.305 62.100 -0.100 0.000 0.880 676 T CB 0.305 69.102 68.868 -0.118 0.000 1.246 676 T HN 1.900 nan 8.240 nan 0.000 0.523 677 G N 3.299 112.032 108.800 -0.111 0.000 2.422 677 G HA2 -0.232 3.728 3.960 0.001 0.000 0.218 677 G HA3 -0.232 3.728 3.960 0.001 0.000 0.218 677 G C 1.572 176.542 174.900 0.116 0.000 1.146 677 G CA 1.257 46.322 45.100 -0.057 0.000 0.769 677 G HN 0.671 nan 8.290 nan 0.000 0.547 678 N N 0.846 119.577 118.700 0.051 0.000 2.061 678 N HA -0.150 4.590 4.740 0.001 0.000 0.193 678 N C 1.438 176.955 175.510 0.011 0.000 1.030 678 N CA 1.006 54.079 53.050 0.039 0.000 0.856 678 N CB -0.669 37.793 38.487 -0.043 0.000 1.023 678 N HN 0.372 nan 8.380 nan 0.000 0.424 682 M N 0.337 120.030 119.600 0.154 0.000 2.117 682 M HA -0.139 4.342 4.480 0.001 0.000 0.262 682 M C 2.020 178.380 176.300 0.100 0.000 1.065 682 M CA 1.755 57.113 55.300 0.097 0.000 1.114 682 M CB -0.043 32.619 32.600 0.102 0.000 1.361 682 M HN 0.321 nan 8.290 nan 0.000 0.408 683 L N 0.718 122.003 121.223 0.102 0.000 2.275 683 L HA -0.088 4.252 4.340 0.001 0.000 0.215 683 L C 1.310 178.232 176.870 0.086 0.000 1.119 683 L CA 1.629 56.535 54.840 0.110 0.000 0.790 683 L CB -0.646 41.489 42.059 0.127 0.000 0.919 683 L HN 0.325 nan 8.230 nan 0.000 0.443 684 N N -0.096 118.644 118.700 0.066 0.000 2.268 684 N HA 0.154 4.894 4.740 0.001 0.000 0.204 684 N C 0.875 176.420 175.510 0.058 0.000 1.124 684 N CA 0.786 53.865 53.050 0.049 0.000 0.838 684 N CB 0.469 38.959 38.487 0.005 0.000 0.994 684 N HN 0.439 nan 8.380 nan 0.000 0.489 685 G N 0.481 109.321 108.800 0.067 0.000 2.132 685 G HA2 -0.207 3.754 3.960 0.001 0.000 0.228 685 G HA3 -0.207 3.754 3.960 0.001 0.000 0.228 685 G C 0.025 174.990 174.900 0.109 0.000 1.000 685 G CA 0.142 45.281 45.100 0.065 0.000 0.693 685 G HN 0.523 nan 8.290 nan 0.000 0.515 686 A N -0.417 122.479 122.820 0.127 0.000 2.306 686 A HA 0.894 5.215 4.320 0.001 0.000 0.330 686 A C 0.338 177.920 177.584 -0.003 0.000 1.146 686 A CA -0.588 51.545 52.037 0.161 0.000 0.827 686 A CB 1.030 20.199 19.000 0.281 0.000 1.178 686 A HN 0.714 nan 8.150 nan 0.000 0.490 687 L N 0.643 121.837 121.223 -0.049 0.000 2.375 687 L HA 0.482 4.822 4.340 0.001 0.000 0.268 687 L C 0.181 176.926 176.870 -0.209 0.000 1.058 687 L CA -0.444 54.237 54.840 -0.264 0.000 0.803 687 L CB 1.821 43.630 42.059 -0.416 0.000 1.212 687 L HN 0.693 nan 8.230 nan 0.000 0.451 688 T N 2.561 116.882 114.554 -0.390 0.000 2.824 688 T HA 0.464 4.815 4.350 0.001 0.000 0.280 688 T C -0.443 174.258 174.700 0.000 0.000 0.995 688 T CA -0.266 61.688 62.100 -0.244 0.000 1.009 688 T CB 1.575 70.222 68.868 -0.368 0.000 0.955 688 T HN 0.352 nan 8.240 nan 0.000 0.452 689 I N 2.741 123.340 120.570 0.049 0.000 2.339 689 I HA 0.717 4.887 4.170 0.001 0.000 0.290 689 I C 0.053 176.344 176.117 0.290 0.000 0.994 689 I CA 0.051 61.476 61.300 0.208 0.000 1.191 689 I CB 0.359 38.405 38.000 0.077 0.000 1.343 689 I HN 0.772 nan 8.210 nan 0.000 0.458 690 G N 4.036 113.068 108.800 0.388 0.000 2.646 690 G HA2 0.476 4.436 3.960 0.001 0.000 0.291 690 G HA3 0.476 4.436 3.960 0.001 0.000 0.291 690 G C -0.940 173.874 174.900 -0.144 0.000 1.445 690 G CA -0.463 44.746 45.100 0.181 0.000 0.814 690 G HN 0.586 nan 8.290 nan 0.000 0.495 691 T N -1.142 113.210 114.554 -0.338 0.000 2.847 691 T HA 0.518 4.868 4.350 0.001 0.000 0.279 691 T C 0.773 175.343 174.700 -0.216 0.000 0.984 691 T CA -0.752 61.072 62.100 -0.460 0.000 0.988 691 T CB 1.122 69.744 68.868 -0.410 0.000 1.040 691 T HN 0.281 nan 8.240 nan 0.000 0.528 692 M N 2.820 122.306 119.600 -0.189 0.000 3.254 692 M HA 0.310 4.790 4.480 0.001 0.000 0.257 692 M C -0.501 175.738 176.300 -0.101 0.000 1.490 692 M CA 0.113 55.339 55.300 -0.123 0.000 1.620 692 M CB -1.712 30.827 32.600 -0.101 0.000 1.157 692 M HN 0.729 nan 8.290 nan 0.000 0.541 693 D N 0.359 120.705 120.400 -0.091 0.000 2.732 693 D HA 0.671 5.311 4.640 0.001 0.000 0.229 693 D C 0.535 176.804 176.300 -0.051 0.000 1.152 693 D CA 0.754 54.716 54.000 -0.065 0.000 0.854 693 D CB 1.717 42.479 40.800 -0.063 0.000 1.590 693 D HN 0.638 nan 8.370 nan 0.000 0.468 694 G N 1.701 110.481 108.800 -0.033 0.000 2.582 694 G HA2 -0.186 3.774 3.960 0.001 0.000 0.288 694 G HA3 -0.186 3.774 3.960 0.001 0.000 0.288 694 G C 0.992 175.877 174.900 -0.025 0.000 1.247 694 G CA 0.833 45.918 45.100 -0.025 0.000 0.972 694 G HN 1.115 nan 8.290 nan 0.000 0.557 695 A N -0.242 122.560 122.820 -0.031 0.000 2.209 695 A HA 0.098 4.418 4.320 0.001 0.000 0.212 695 A C 2.097 179.603 177.584 -0.130 0.000 1.158 695 A CA 1.799 53.810 52.037 -0.043 0.000 0.742 695 A CB -0.469 18.509 19.000 -0.036 0.000 0.790 695 A HN 0.646 nan 8.150 nan 0.000 0.472 696 N N 0.597 119.227 118.700 -0.117 0.000 2.137 696 N HA -0.154 4.586 4.740 0.001 0.000 0.190 696 N C 1.587 176.976 175.510 -0.202 0.000 1.017 696 N CA 1.612 54.580 53.050 -0.137 0.000 0.859 696 N CB -0.666 37.778 38.487 -0.070 0.000 1.002 696 N HN 0.306 nan 8.380 nan 0.000 0.428 697 V N 1.391 121.224 119.914 -0.136 0.000 2.295 697 V HA -0.213 3.907 4.120 0.001 0.000 0.246 697 V C 2.023 178.039 176.094 -0.130 0.000 1.049 697 V CA 1.676 63.896 62.300 -0.133 0.000 1.024 697 V CB -0.536 31.242 31.823 -0.075 0.000 0.648 697 V HN 0.331 nan 8.190 nan 0.000 0.447 698 E N -0.474 119.695 120.200 -0.050 0.000 2.150 698 E HA -0.169 4.182 4.350 0.001 0.000 0.193 698 E C 2.210 178.873 176.600 0.106 0.000 0.985 698 E CA 1.199 57.640 56.400 0.068 0.000 0.814 698 E CB -0.209 29.625 29.700 0.223 0.000 0.752 698 E HN 0.555 nan 8.360 nan 0.000 0.466 699 M N 0.405 119.930 119.600 -0.124 0.000 2.086 699 M HA -0.136 4.344 4.480 0.001 0.000 0.261 699 M C 2.517 178.454 176.300 -0.604 0.000 1.067 699 M CA 1.525 56.655 55.300 -0.283 0.000 1.116 699 M CB -0.220 32.123 32.600 -0.429 0.000 1.348 699 M HN 0.135 nan 8.290 nan 0.000 0.407 700 A N -0.065 122.166 122.820 -0.982 0.000 1.933 700 A HA -0.218 4.102 4.320 0.001 0.000 0.218 700 A C 2.010 179.355 177.584 -0.398 0.000 1.175 700 A CA 1.963 53.388 52.037 -1.021 0.000 0.628 700 A CB -0.805 17.775 19.000 -0.701 0.000 0.814 700 A HN 0.590 nan 8.150 nan 0.000 0.444 701 E N -0.336 119.725 120.200 -0.232 0.000 2.051 701 E HA -0.218 4.132 4.350 0.001 0.000 0.192 701 E C 1.817 178.381 176.600 -0.060 0.000 0.991 701 E CA 1.275 57.611 56.400 -0.108 0.000 0.799 701 E CB -0.111 29.552 29.700 -0.061 0.000 0.748 701 E HN 0.554 nan 8.360 nan 0.000 0.449 702 E N 0.068 120.261 120.200 -0.013 0.000 2.077 702 E HA -0.163 4.187 4.350 0.001 0.000 0.193 702 E C 1.821 178.449 176.600 0.046 0.000 0.989 702 E CA 1.184 57.609 56.400 0.043 0.000 0.800 702 E CB -0.172 29.621 29.700 0.155 0.000 0.746 702 E HN 0.368 nan 8.360 nan 0.000 0.452 703 A N 0.272 123.123 122.820 0.050 0.000 2.081 703 A HA 0.349 4.669 4.320 0.001 0.000 0.214 703 A C 1.039 178.659 177.584 0.060 0.000 1.158 703 A CA 1.024 53.129 52.037 0.113 0.000 0.724 703 A CB 0.112 19.297 19.000 0.307 0.000 0.826 703 A HN 0.246 nan 8.150 nan 0.000 0.463 704 G N -0.479 108.320 108.800 -0.001 0.000 3.209 704 G HA2 -0.094 3.866 3.960 0.001 0.000 0.686 704 G HA3 -0.094 3.866 3.960 0.001 0.000 0.686 704 G C -0.036 174.856 174.900 -0.013 0.000 1.065 704 G CA 0.016 45.108 45.100 -0.014 0.000 0.812 704 G HN 0.235 nan 8.290 nan 0.000 0.573 705 E N 0.511 120.682 120.200 -0.048 0.000 2.267 705 E HA -0.184 4.167 4.350 0.001 0.000 0.197 705 E C 2.337 178.924 176.600 -0.022 0.000 0.998 705 E CA 1.258 57.632 56.400 -0.042 0.000 0.830 705 E CB 0.122 29.792 29.700 -0.051 0.000 0.751 705 E HN 0.776 nan 8.360 nan 0.000 0.491 706 E N 0.745 120.921 120.200 -0.040 0.000 2.338 706 E HA -0.165 4.186 4.350 0.001 0.000 0.197 706 E C 0.789 177.308 176.600 -0.136 0.000 1.007 706 E CA 0.764 57.114 56.400 -0.083 0.000 0.849 706 E CB -0.112 29.551 29.700 -0.061 0.000 0.774 706 E HN 0.179 nan 8.360 nan 0.000 0.506 707 N N -0.216 118.451 118.700 -0.055 0.000 2.251 707 N HA 0.165 4.906 4.740 0.001 0.000 0.217 707 N C -1.012 174.427 175.510 -0.118 0.000 1.124 707 N CA 0.084 53.074 53.050 -0.100 0.000 0.843 707 N CB 0.165 38.654 38.487 0.003 0.000 1.024 707 N HN 0.035 nan 8.380 nan 0.000 0.501 708 F N -0.684 119.067 119.950 -0.333 0.000 2.603 708 F HA 0.418 4.945 4.527 -0.000 0.000 0.317 708 F C -0.542 175.041 175.800 -0.361 0.000 1.066 708 F CA -1.067 56.782 58.000 -0.252 0.000 0.941 708 F CB 1.290 40.222 39.000 -0.112 0.000 1.291 708 F HN -0.228 nan 8.300 nan 0.000 0.472 709 F N 4.187 124.197 119.950 0.099 0.000 2.344 709 F HA 0.369 4.896 4.527 0.001 0.000 0.344 709 F C -0.290 175.643 175.800 0.222 0.000 1.140 709 F CA -0.569 57.500 58.000 0.114 0.000 1.256 709 F CB -0.029 38.995 39.000 0.039 0.000 1.573 709 F HN -0.023 nan 8.300 nan 0.000 0.547 710 I N 3.692 124.438 120.570 0.294 0.000 2.441 710 I HA 0.209 4.380 4.170 0.001 0.000 0.287 710 I C 0.022 176.294 176.117 0.259 0.000 1.049 710 I CA -0.401 61.024 61.300 0.209 0.000 1.381 710 I CB -0.051 37.997 38.000 0.079 0.000 1.409 710 I HN 0.301 nan 8.210 nan 0.000 0.523 711 F N 2.873 122.878 119.950 0.093 0.000 2.692 711 F HA 0.901 5.428 4.527 -0.000 0.000 0.320 711 F C 0.197 176.029 175.800 0.053 0.000 1.123 711 F CA -0.610 57.438 58.000 0.080 0.000 0.961 711 F CB 1.028 40.092 39.000 0.107 0.000 1.383 711 F HN 0.786 nan 8.300 nan 0.000 0.483 712 G N 0.749 109.609 108.800 0.100 0.000 2.760 712 G HA2 -0.122 3.839 3.960 0.001 0.000 0.246 712 G HA3 -0.122 3.839 3.960 0.001 0.000 0.246 712 G C -0.732 174.137 174.900 -0.052 0.000 1.359 712 G CA -0.571 44.530 45.100 0.001 0.000 0.861 712 G HN 0.961 nan 8.290 nan 0.000 0.541 713 M N 0.247 119.830 119.600 -0.029 0.000 2.245 713 M HA 0.210 4.690 4.480 0.001 0.000 0.335 713 M C 1.137 177.397 176.300 -0.067 0.000 1.155 713 M CA 0.319 55.605 55.300 -0.024 0.000 1.055 713 M CB 0.261 32.852 32.600 -0.015 0.000 1.670 713 M HN 0.565 nan 8.290 nan 0.000 0.447 714 R N 1.298 121.773 120.500 -0.041 0.000 2.541 714 R HA 0.293 4.633 4.340 0.001 0.000 0.254 714 R C 1.079 177.357 176.300 -0.037 0.000 1.130 714 R CA -0.655 55.415 56.100 -0.049 0.000 1.152 714 R CB 0.115 30.394 30.300 -0.035 0.000 1.222 714 R HN 0.562 nan 8.270 nan 0.000 0.579 715 V N 1.580 121.472 119.914 -0.036 0.000 2.392 715 V HA -0.262 3.859 4.120 0.001 0.000 0.249 715 V C 2.056 178.139 176.094 -0.018 0.000 1.059 715 V CA 2.345 64.629 62.300 -0.028 0.000 1.051 715 V CB -0.694 31.112 31.823 -0.028 0.000 0.658 715 V HN 0.819 nan 8.190 nan 0.000 0.455 716 E N 0.081 120.272 120.200 -0.015 0.000 2.118 716 E HA -0.275 4.075 4.350 0.001 0.000 0.195 716 E C 1.568 178.170 176.600 0.004 0.000 0.992 716 E CA 1.771 58.168 56.400 -0.006 0.000 0.804 716 E CB -0.477 29.221 29.700 -0.004 0.000 0.741 716 E HN 0.617 nan 8.360 nan 0.000 0.458 717 D N 1.236 121.639 120.400 0.007 0.000 2.117 717 D HA -0.104 4.537 4.640 0.001 0.000 0.198 717 D C 2.313 178.627 176.300 0.022 0.000 0.982 717 D CA 1.212 55.226 54.000 0.023 0.000 0.828 717 D CB -0.109 40.709 40.800 0.030 0.000 0.967 717 D HN 0.130 nan 8.370 nan 0.000 0.464 718 V N 2.138 122.053 119.914 0.000 0.000 2.332 718 V HA -0.226 3.895 4.120 0.001 0.000 0.248 718 V C 1.931 178.023 176.094 -0.002 0.000 1.055 718 V CA 1.785 64.077 62.300 -0.013 0.000 1.038 718 V CB -0.439 31.367 31.823 -0.029 0.000 0.651 718 V HN 0.043 nan 8.190 nan 0.000 0.450 719 D N -0.216 120.183 120.400 -0.000 0.000 2.144 719 D HA -0.147 4.494 4.640 0.001 0.000 0.199 719 D C 2.395 178.706 176.300 0.020 0.000 0.984 719 D CA 1.150 55.153 54.000 0.004 0.000 0.834 719 D CB -0.285 40.514 40.800 -0.002 0.000 0.955 719 D HN 0.379 nan 8.370 nan 0.000 0.465 720 R N 0.034 120.550 120.500 0.028 0.000 2.096 720 R HA 0.004 4.345 4.340 0.001 0.000 0.235 720 R C 2.488 178.824 176.300 0.061 0.000 1.127 720 R CA 0.427 56.551 56.100 0.041 0.000 0.968 720 R CB -0.278 30.049 30.300 0.044 0.000 0.861 720 R HN 0.210 nan 8.270 nan 0.000 0.440 721 L N 0.596 121.864 121.223 0.075 0.000 2.093 721 L HA -0.189 4.152 4.340 0.001 0.000 0.208 721 L C 1.582 178.517 176.870 0.108 0.000 1.085 721 L CA 1.210 56.123 54.840 0.121 0.000 0.755 721 L CB -0.246 41.904 42.059 0.151 0.000 0.904 721 L HN 0.188 nan 8.230 nan 0.000 0.435 722 D N -0.481 119.956 120.400 0.063 0.000 2.144 722 D HA -0.204 4.436 4.640 0.001 0.000 0.199 722 D C 2.199 178.529 176.300 0.050 0.000 0.984 722 D CA 1.085 55.115 54.000 0.051 0.000 0.834 722 D CB -0.046 40.764 40.800 0.016 0.000 0.955 722 D HN 0.398 nan 8.370 nan 0.000 0.465 723 Q N -0.042 119.783 119.800 0.043 0.000 2.124 723 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 723 Q C 2.036 178.063 176.000 0.044 0.000 0.977 723 Q CA 1.281 57.106 55.803 0.037 0.000 0.850 723 Q CB 0.019 28.775 28.738 0.030 0.000 0.901 723 Q HN 0.353 nan 8.270 nan 0.000 0.429 724 R N -0.972 119.563 120.500 0.058 0.000 2.308 724 R HA 0.293 4.633 4.340 0.001 0.000 0.202 724 R C 0.043 176.382 176.300 0.066 0.000 0.898 724 R CA 0.534 56.668 56.100 0.056 0.000 1.046 724 R CB 0.577 30.912 30.300 0.058 0.000 1.026 724 R HN 0.043 nan 8.270 nan 0.000 0.512 725 G N 1.230 110.083 108.800 0.089 0.000 3.355 725 G HA2 -0.255 3.705 3.960 0.001 0.000 0.686 725 G HA3 -0.255 3.705 3.960 0.001 0.000 0.686 725 G C -1.409 173.584 174.900 0.155 0.000 1.097 725 G CA -0.492 44.669 45.100 0.102 0.000 0.881 725 G HN 0.297 nan 8.290 nan 0.000 0.550 726 Y N 3.109 123.442 120.300 0.055 0.000 2.480 726 Y HA 0.559 5.109 4.550 0.001 0.000 0.341 726 Y C 0.329 176.281 175.900 0.086 0.000 1.031 726 Y CA -1.088 57.062 58.100 0.083 0.000 1.295 726 Y CB 1.089 39.575 38.460 0.043 0.000 1.162 726 Y HN 0.620 nan 8.280 nan 0.000 0.523 727 N N 4.842 123.330 118.700 -0.353 0.000 2.626 727 N HA 0.355 5.096 4.740 0.001 0.000 0.242 727 N C 0.292 175.565 175.510 -0.396 0.000 1.005 727 N CA 0.255 53.109 53.050 -0.326 0.000 0.905 727 N CB 1.025 39.444 38.487 -0.113 0.000 1.128 727 N HN 0.740 nan 8.380 nan 0.000 0.512 728 A N 2.545 125.011 122.820 -0.590 0.000 2.019 728 A HA -0.192 4.129 4.320 0.001 0.000 0.219 728 A C 1.882 179.587 177.584 0.203 0.000 1.164 728 A CA 1.410 53.339 52.037 -0.179 0.000 0.644 728 A CB -0.421 18.395 19.000 -0.307 0.000 0.805 728 A HN 0.691 nan 8.150 nan 0.000 0.449 729 Q N 0.250 120.063 119.800 0.020 0.000 2.135 729 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 729 Q C 1.884 177.951 176.000 0.111 0.000 0.981 729 Q CA 2.207 58.045 55.803 0.060 0.000 0.856 729 Q CB -0.350 28.378 28.738 -0.017 0.000 0.902 729 Q HN 0.784 nan 8.270 nan 0.000 0.425 730 E N -1.407 118.800 120.200 0.011 0.000 2.085 730 E HA -0.233 4.117 4.350 0.001 0.000 0.194 730 E C 1.473 177.992 176.600 -0.135 0.000 0.994 730 E CA 1.375 57.706 56.400 -0.115 0.000 0.801 730 E CB -0.191 29.346 29.700 -0.272 0.000 0.743 730 E HN 0.580 nan 8.360 nan 0.000 0.453 731 Y N -1.042 119.332 120.300 0.123 0.000 2.200 731 Y HA -0.195 4.355 4.550 0.000 0.000 0.290 731 Y C 2.224 178.135 175.900 0.019 0.000 1.137 731 Y CA 1.494 59.660 58.100 0.110 0.000 1.163 731 Y CB -0.741 37.848 38.460 0.215 0.000 0.988 731 Y HN 0.209 nan 8.280 nan 0.000 0.518 732 Y N 1.390 121.721 120.300 0.051 0.000 2.165 732 Y HA -0.291 4.260 4.550 0.001 0.000 0.286 732 Y C 1.800 177.666 175.900 -0.055 0.000 1.155 732 Y CA 1.936 59.985 58.100 -0.085 0.000 1.164 732 Y CB -0.369 38.092 38.460 0.002 0.000 0.978 732 Y HN 0.085 nan 8.280 nan 0.000 0.513 733 D N -0.429 120.080 120.400 0.182 0.000 2.219 733 D HA -0.085 4.555 4.640 0.001 0.000 0.205 733 D C 1.927 178.208 176.300 -0.031 0.000 0.970 733 D CA 1.217 55.261 54.000 0.074 0.000 0.851 733 D CB -0.138 40.716 40.800 0.090 0.000 0.943 733 D HN 0.433 nan 8.370 nan 0.000 0.488 734 R N -0.419 120.059 120.500 -0.037 0.000 2.290 734 R HA 0.290 4.630 4.340 0.001 0.000 0.197 734 R C 0.263 176.541 176.300 -0.037 0.000 0.913 734 R CA 0.139 56.215 56.100 -0.039 0.000 1.040 734 R CB 0.921 31.194 30.300 -0.044 0.000 0.992 734 R HN 0.116 nan 8.270 nan 0.000 0.500 735 I N 1.410 121.939 120.570 -0.069 0.000 2.464 735 I HA 0.221 4.391 4.170 0.001 0.000 0.277 735 I C -1.989 174.042 176.117 -0.143 0.000 1.040 735 I CA -2.334 58.932 61.300 -0.056 0.000 1.153 735 I CB 2.029 40.028 38.000 -0.001 0.000 1.274 735 I HN -0.276 nan 8.210 nan 0.000 0.469 736 P HA -0.216 nan 4.420 nan 0.000 0.216 736 P C 1.224 178.436 177.300 -0.146 0.000 1.157 736 P CA 1.547 64.562 63.100 -0.141 0.000 0.880 736 P CB 0.296 31.945 31.700 -0.085 0.000 0.791 737 E N -1.276 118.879 120.200 -0.075 0.000 2.106 737 E HA -0.163 4.187 4.350 0.001 0.000 0.192 737 E C 1.875 178.396 176.600 -0.133 0.000 0.984 737 E CA 0.628 57.003 56.400 -0.041 0.000 0.806 737 E CB -0.566 29.182 29.700 0.080 0.000 0.750 737 E HN 0.110 nan 8.360 nan 0.000 0.458 738 L N 1.237 122.290 121.223 -0.284 0.000 2.027 738 L HA -0.145 4.196 4.340 0.001 0.000 0.206 738 L C 2.360 178.963 176.870 -0.445 0.000 1.074 738 L CA 1.716 56.210 54.840 -0.578 0.000 0.745 738 L CB -0.374 41.221 42.059 -0.774 0.000 0.898 738 L HN -0.106 nan 8.230 nan 0.000 0.433 739 R N -0.813 119.390 120.500 -0.494 0.000 2.096 739 R HA -0.259 4.081 4.340 0.001 0.000 0.240 739 R C 2.458 178.590 176.300 -0.280 0.000 1.139 739 R CA 2.109 57.837 56.100 -0.620 0.000 0.952 739 R CB -0.415 29.421 30.300 -0.773 0.000 0.854 739 R HN 0.609 nan 8.270 nan 0.000 0.436 740 Q N 0.176 119.852 119.800 -0.207 0.000 2.112 740 Q HA -0.211 4.129 4.340 0.001 0.000 0.206 740 Q C 2.016 177.978 176.000 -0.063 0.000 0.987 740 Q CA 2.122 57.852 55.803 -0.121 0.000 0.858 740 Q CB -0.100 28.572 28.738 -0.110 0.000 0.905 740 Q HN 0.480 nan 8.270 nan 0.000 0.420 741 I N 0.397 120.935 120.570 -0.053 0.000 2.286 741 I HA -0.264 3.907 4.170 0.001 0.000 0.245 741 I C 2.070 178.242 176.117 0.091 0.000 1.104 741 I CA 0.452 61.778 61.300 0.043 0.000 1.397 741 I CB -0.220 37.781 38.000 0.002 0.000 1.072 741 I HN 0.261 nan 8.210 nan 0.000 0.417 742 I N 0.645 121.248 120.570 0.056 0.000 2.226 742 I HA -0.226 3.944 4.170 0.001 0.000 0.245 742 I C 2.536 178.766 176.117 0.189 0.000 1.100 742 I CA 1.520 62.922 61.300 0.169 0.000 1.374 742 I CB -1.355 36.819 38.000 0.289 0.000 1.057 742 I HN 0.288 nan 8.210 nan 0.000 0.413 743 E N 0.736 121.023 120.200 0.145 0.000 2.106 743 E HA -0.200 4.150 4.350 0.001 0.000 0.192 743 E C 2.153 178.818 176.600 0.108 0.000 0.984 743 E CA 0.897 57.370 56.400 0.120 0.000 0.806 743 E CB -0.306 29.437 29.700 0.072 0.000 0.750 743 E HN 0.595 nan 8.360 nan 0.000 0.458 744 Q N 0.361 120.218 119.800 0.094 0.000 2.030 744 Q HA -0.118 4.222 4.340 0.001 0.000 0.204 744 Q C 2.508 178.697 176.000 0.316 0.000 0.986 744 Q CA 1.163 57.048 55.803 0.137 0.000 0.843 744 Q CB -0.227 28.588 28.738 0.129 0.000 0.904 744 Q HN 0.245 nan 8.270 nan 0.000 0.420 745 L N 0.059 121.499 121.223 0.361 0.000 2.012 745 L HA -0.217 4.123 4.340 0.001 0.000 0.210 745 L C 2.482 179.552 176.870 0.333 0.000 1.073 745 L CA 1.155 56.229 54.840 0.390 0.000 0.748 745 L CB -0.365 41.849 42.059 0.259 0.000 0.891 745 L HN 0.153 nan 8.230 nan 0.000 0.431 746 S N -0.562 115.285 115.700 0.244 0.000 2.383 746 S HA -0.129 4.342 4.470 0.001 0.000 0.227 746 S C 1.979 176.680 174.600 0.169 0.000 1.026 746 S CA 1.392 59.710 58.200 0.197 0.000 0.981 746 S CB -0.183 63.112 63.200 0.160 0.000 0.818 746 S HN 0.598 nan 8.310 nan 0.000 0.472 747 S N 0.295 116.092 115.700 0.163 0.000 2.593 747 S HA 0.385 4.856 4.470 0.001 0.000 0.217 747 S C 1.371 176.054 174.600 0.139 0.000 0.966 747 S CA 0.544 58.822 58.200 0.129 0.000 0.914 747 S CB 0.075 63.338 63.200 0.105 0.000 0.776 747 S HN 0.751 nan 8.310 nan 0.000 0.523 748 G N 0.718 109.628 108.800 0.184 0.000 2.141 748 G HA2 -0.294 3.666 3.960 0.001 0.000 0.231 748 G HA3 -0.294 3.666 3.960 0.001 0.000 0.231 748 G C 0.213 175.202 174.900 0.148 0.000 0.984 748 G CA 0.114 45.311 45.100 0.162 0.000 0.660 748 G HN 0.508 nan 8.290 nan 0.000 0.525 749 F N 0.496 120.435 119.950 -0.020 0.000 2.202 749 F HA 0.184 4.712 4.527 0.000 0.000 0.301 749 F C 1.762 177.347 175.800 -0.358 0.000 1.082 749 F CA 1.702 59.566 58.000 -0.227 0.000 1.313 749 F CB -0.100 38.675 39.000 -0.376 0.000 1.024 749 F HN 0.168 nan 8.300 nan 0.000 0.495 750 F N -0.333 119.669 119.950 0.086 0.000 2.660 750 F HA 0.210 4.738 4.527 0.001 0.000 0.302 750 F C 0.765 176.643 175.800 0.130 0.000 1.103 750 F CA 0.323 58.328 58.000 0.008 0.000 1.340 750 F CB -0.265 38.776 39.000 0.068 0.000 1.048 750 F HN 0.019 nan 8.300 nan 0.000 0.551 751 S N -1.682 114.129 115.700 0.185 0.000 2.680 751 S HA 0.234 4.704 4.470 0.001 0.000 0.153 751 S C -2.243 172.365 174.600 0.012 0.000 1.224 751 S CA -0.825 57.423 58.200 0.079 0.000 1.197 751 S CB 0.413 63.599 63.200 -0.023 0.000 1.634 751 S HN -0.134 nan 8.310 nan 0.000 0.422 752 P HA -0.125 nan 4.420 nan 0.000 0.218 752 P C 0.871 178.165 177.300 -0.011 0.000 1.148 752 P CA 1.281 64.368 63.100 -0.021 0.000 0.822 752 P CB -0.007 31.660 31.700 -0.054 0.000 0.784 753 K N -0.895 119.497 120.400 -0.014 0.000 2.459 753 K HA 0.013 4.334 4.320 0.001 0.000 0.193 753 K C 1.249 177.845 176.600 -0.007 0.000 1.030 753 K CA 0.374 56.656 56.287 -0.008 0.000 1.026 753 K CB 0.180 32.676 32.500 -0.006 0.000 0.809 753 K HN 0.186 nan 8.250 nan 0.000 0.504 754 Q N 0.348 120.138 119.800 -0.015 0.000 3.761 754 Q HA 0.123 4.464 4.340 0.001 0.000 0.206 754 Q C -2.352 173.629 176.000 -0.032 0.000 0.900 754 Q CA -1.441 54.348 55.803 -0.024 0.000 0.737 754 Q CB 1.118 29.836 28.738 -0.033 0.000 1.454 754 Q HN -0.135 nan 8.270 nan 0.000 0.448 755 P HA -0.173 nan 4.420 nan 0.000 0.218 755 P C 0.483 177.804 177.300 0.034 0.000 1.146 755 P CA 1.359 64.476 63.100 0.027 0.000 0.813 755 P CB 0.211 31.934 31.700 0.038 0.000 0.778 756 D N -1.198 119.208 120.400 0.011 0.000 2.342 756 D HA -0.013 4.627 4.640 0.001 0.000 0.221 756 D C 1.670 177.956 176.300 -0.024 0.000 1.101 756 D CA -0.326 53.689 54.000 0.025 0.000 0.837 756 D CB -0.711 40.106 40.800 0.029 0.000 0.938 756 D HN 0.003 nan 8.370 nan 0.000 0.508 757 L N 0.020 121.157 121.223 -0.144 0.000 2.043 757 L HA -0.125 4.215 4.340 0.001 0.000 0.212 757 L C 1.094 177.748 176.870 -0.360 0.000 1.075 757 L CA 1.660 56.299 54.840 -0.336 0.000 0.752 757 L CB -0.592 41.087 42.059 -0.634 0.000 0.891 757 L HN -0.066 nan 8.230 nan 0.000 0.432 758 F N -0.308 119.698 119.950 0.094 0.000 2.645 758 F HA 0.158 4.686 4.527 0.001 0.000 0.300 758 F C 1.892 177.749 175.800 0.096 0.000 1.115 758 F CA 0.051 58.099 58.000 0.080 0.000 1.355 758 F CB -0.880 38.159 39.000 0.064 0.000 1.026 758 F HN 0.170 nan 8.300 nan 0.000 0.536 759 K N -0.310 120.206 120.400 0.194 0.000 2.103 759 K HA -0.192 4.128 4.320 0.001 0.000 0.207 759 K C 0.919 177.626 176.600 0.179 0.000 1.048 759 K CA 2.052 58.440 56.287 0.169 0.000 0.930 759 K CB -0.288 32.284 32.500 0.121 0.000 0.716 759 K HN 0.079 nan 8.250 nan 0.000 0.444 760 D N 1.307 121.823 120.400 0.193 0.000 2.149 760 D HA -0.051 4.589 4.640 0.001 0.000 0.201 760 D C 2.094 178.507 176.300 0.188 0.000 0.972 760 D CA 1.025 55.145 54.000 0.201 0.000 0.835 760 D CB -0.115 40.835 40.800 0.251 0.000 0.966 760 D HN 0.301 nan 8.370 nan 0.000 0.476 761 I N 0.652 121.337 120.570 0.192 0.000 2.226 761 I HA -0.215 3.955 4.170 0.001 0.000 0.245 761 I C 2.396 178.585 176.117 0.121 0.000 1.100 761 I CA 0.618 62.000 61.300 0.136 0.000 1.374 761 I CB -0.202 37.865 38.000 0.112 0.000 1.057 761 I HN -0.111 nan 8.210 nan 0.000 0.413 762 V N 1.241 121.246 119.914 0.152 0.000 2.295 762 V HA -0.305 3.815 4.120 0.001 0.000 0.246 762 V C 2.261 178.408 176.094 0.087 0.000 1.049 762 V CA 2.407 64.785 62.300 0.130 0.000 1.024 762 V CB -0.987 30.931 31.823 0.158 0.000 0.648 762 V HN 0.486 nan 8.190 nan 0.000 0.447 763 N N -0.056 118.730 118.700 0.143 0.000 2.069 763 N HA -0.228 4.513 4.740 0.001 0.000 0.191 763 N C 1.864 177.472 175.510 0.164 0.000 1.031 763 N CA 1.950 55.123 53.050 0.205 0.000 0.852 763 N CB -0.305 38.334 38.487 0.253 0.000 1.018 763 N HN 0.327 nan 8.380 nan 0.000 0.423 764 M N 0.291 119.988 119.600 0.162 0.000 2.065 764 M HA -0.127 4.353 4.480 0.001 0.000 0.259 764 M C 1.839 178.130 176.300 -0.015 0.000 1.069 764 M CA 1.413 56.800 55.300 0.145 0.000 1.110 764 M CB -0.762 31.927 32.600 0.148 0.000 1.328 764 M HN 0.298 nan 8.290 nan 0.000 0.405 765 L N -0.153 121.013 121.223 -0.096 0.000 2.042 765 L HA -0.286 4.054 4.340 0.001 0.000 0.210 765 L C 2.620 179.165 176.870 -0.541 0.000 1.076 765 L CA 1.181 55.814 54.840 -0.345 0.000 0.749 765 L CB -0.630 41.260 42.059 -0.282 0.000 0.893 765 L HN 0.340 nan 8.230 nan 0.000 0.432 766 M N -1.502 117.856 119.600 -0.404 0.000 2.236 766 M HA -0.081 4.399 4.480 0.001 0.000 0.266 766 M C 1.836 177.656 176.300 -0.800 0.000 1.070 766 M CA 1.680 56.621 55.300 -0.598 0.000 1.137 766 M CB -0.742 31.403 32.600 -0.757 0.000 1.378 766 M HN 0.352 nan 8.290 nan 0.000 0.426 767 H N -2.765 116.137 119.070 -0.280 0.000 3.255 767 H HA 0.244 4.800 4.556 0.001 0.000 0.256 767 H C 0.106 175.016 175.328 -0.697 0.000 1.049 767 H CA 0.352 56.093 56.048 -0.510 0.000 1.202 767 H CB 0.391 29.733 29.762 -0.700 0.000 1.497 767 H HN 0.513 nan 8.280 nan 0.000 0.503 768 H N 0.302 119.420 119.070 0.079 0.000 2.790 768 H HA 0.150 4.706 4.556 0.000 0.000 0.232 768 H C -0.804 174.548 175.328 0.040 0.000 1.313 768 H CA -0.368 55.721 56.048 0.069 0.000 1.011 768 H CB 0.814 30.621 29.762 0.076 0.000 2.105 768 H HN 0.000 nan 8.280 nan 0.000 0.580 769 D N 0.871 121.325 120.400 0.091 0.000 2.380 769 D HA 0.126 4.767 4.640 0.001 0.000 0.230 769 D C 1.029 177.296 176.300 -0.055 0.000 1.154 769 D CA -0.301 53.728 54.000 0.047 0.000 0.859 769 D CB 0.688 41.499 40.800 0.018 0.000 1.045 769 D HN 0.271 nan 8.370 nan 0.000 0.495 770 R N 2.343 122.702 120.500 -0.234 0.000 2.235 770 R HA -0.023 4.317 4.340 0.001 0.000 0.213 770 R C 0.631 176.462 176.300 -0.781 0.000 1.059 770 R CA 0.838 56.599 56.100 -0.564 0.000 0.997 770 R CB 0.120 29.834 30.300 -0.976 0.000 0.884 770 R HN 0.429 nan 8.270 nan 0.000 0.462 771 F N 0.383 120.307 119.950 -0.043 0.000 2.664 771 F HA 0.244 4.772 4.527 0.001 0.000 0.303 771 F C 0.172 175.858 175.800 -0.190 0.000 1.092 771 F CA -0.469 57.488 58.000 -0.073 0.000 1.305 771 F CB 0.155 39.176 39.000 0.034 0.000 1.054 771 F HN -0.243 nan 8.300 nan 0.000 0.565 772 K N -0.404 119.815 120.400 -0.302 0.000 3.257 772 K HA -0.176 4.145 4.320 0.001 0.000 0.270 772 K C 0.974 177.455 176.600 -0.198 0.000 0.984 772 K CA 0.182 56.106 56.287 -0.604 0.000 0.739 772 K CB -1.884 30.172 32.500 -0.740 0.000 1.351 772 K HN 0.202 nan 8.250 nan 0.000 0.463 773 V N -0.083 119.796 119.914 -0.058 0.000 2.287 773 V HA -0.270 3.850 4.120 0.001 0.000 0.248 773 V C 1.969 178.198 176.094 0.224 0.000 1.053 773 V CA 2.112 64.457 62.300 0.074 0.000 1.027 773 V CB -0.455 31.419 31.823 0.084 0.000 0.646 773 V HN 0.410 nan 8.190 nan 0.000 0.447 774 F N 0.515 120.475 119.950 0.016 0.000 2.407 774 F HA 0.072 4.599 4.527 0.000 0.000 0.299 774 F C 2.374 177.984 175.800 -0.317 0.000 1.097 774 F CA 0.471 58.440 58.000 -0.053 0.000 1.422 774 F CB -1.447 37.541 39.000 -0.019 0.000 1.067 774 F HN 0.154 nan 8.300 nan 0.000 0.539 775 A N -0.602 122.054 122.820 -0.273 0.000 2.067 775 A HA -0.135 4.185 4.320 0.001 0.000 0.219 775 A C 1.613 179.194 177.584 -0.005 0.000 1.158 775 A CA 1.736 53.525 52.037 -0.414 0.000 0.661 775 A CB -0.444 18.418 19.000 -0.229 0.000 0.801 775 A HN 0.163 nan 8.150 nan 0.000 0.452 776 D N -2.766 117.690 120.400 0.094 0.000 2.398 776 D HA 0.102 4.742 4.640 0.001 0.000 0.210 776 D C 1.086 177.550 176.300 0.274 0.000 1.094 776 D CA -0.107 54.022 54.000 0.214 0.000 0.839 776 D CB -0.083 40.850 40.800 0.221 0.000 0.963 776 D HN 0.544 nan 8.370 nan 0.000 0.506 777 Y N 2.036 122.429 120.300 0.154 0.000 2.070 777 Y HA -0.215 4.335 4.550 0.001 0.000 0.280 777 Y C 2.062 178.049 175.900 0.146 0.000 1.148 777 Y CA 1.928 60.127 58.100 0.165 0.000 1.125 777 Y CB 0.106 38.638 38.460 0.120 0.000 0.975 777 Y HN -0.099 nan 8.280 nan 0.000 0.492 778 E N -0.346 119.925 120.200 0.118 0.000 2.058 778 E HA -0.217 4.134 4.350 0.001 0.000 0.194 778 E C 2.060 178.633 176.600 -0.045 0.000 0.997 778 E CA 1.417 57.812 56.400 -0.008 0.000 0.801 778 E CB -0.058 29.728 29.700 0.143 0.000 0.746 778 E HN 0.537 nan 8.360 nan 0.000 0.450 779 E N -0.075 120.171 120.200 0.077 0.000 2.208 779 E HA -0.165 4.185 4.350 0.001 0.000 0.193 779 E C 1.786 178.381 176.600 -0.009 0.000 0.988 779 E CA 0.558 57.017 56.400 0.098 0.000 0.828 779 E CB -0.254 29.589 29.700 0.237 0.000 0.763 779 E HN 0.348 nan 8.360 nan 0.000 0.478 780 Y N 1.602 121.730 120.300 -0.288 0.000 2.163 780 Y HA -0.184 4.366 4.550 0.000 0.000 0.288 780 Y C 2.248 177.752 175.900 -0.660 0.000 1.136 780 Y CA 0.875 58.487 58.100 -0.814 0.000 1.147 780 Y CB -0.491 37.556 38.460 -0.688 0.000 0.987 780 Y HN -0.210 nan 8.280 nan 0.000 0.509 781 V N 0.489 120.064 119.914 -0.564 0.000 2.407 781 V HA -0.297 3.823 4.120 0.001 0.000 0.248 781 V C 2.227 178.094 176.094 -0.380 0.000 1.055 781 V CA 2.256 64.223 62.300 -0.556 0.000 1.049 781 V CB -0.554 30.965 31.823 -0.507 0.000 0.662 781 V HN 0.296 nan 8.190 nan 0.000 0.455 782 K N -0.934 119.311 120.400 -0.257 0.000 2.057 782 K HA -0.175 4.146 4.320 0.001 0.000 0.206 782 K C 2.275 178.789 176.600 -0.143 0.000 1.050 782 K CA 1.624 57.825 56.287 -0.144 0.000 0.935 782 K CB -0.589 31.877 32.500 -0.057 0.000 0.715 782 K HN 0.509 nan 8.250 nan 0.000 0.439 783 C N 1.240 120.426 119.300 -0.189 0.000 2.429 783 C HA -0.089 4.372 4.460 0.001 0.000 0.277 783 C C 2.600 177.418 174.990 -0.286 0.000 1.262 783 C CA 0.776 59.716 59.018 -0.129 0.000 1.733 783 C CB -0.607 27.072 27.740 -0.101 0.000 2.010 783 C HN 0.437 nan 8.230 nan 0.000 0.483 784 Q N 0.523 120.012 119.800 -0.518 0.000 2.135 784 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 784 Q C 1.965 177.774 176.000 -0.318 0.000 0.981 784 Q CA 1.775 57.230 55.803 -0.580 0.000 0.856 784 Q CB -0.410 27.723 28.738 -1.009 0.000 0.902 784 Q HN 0.763 nan 8.270 nan 0.000 0.425 785 E N 0.010 120.079 120.200 -0.219 0.000 2.106 785 E HA -0.122 4.228 4.350 0.001 0.000 0.192 785 E C 2.099 178.659 176.600 -0.067 0.000 0.984 785 E CA 0.501 56.834 56.400 -0.111 0.000 0.806 785 E CB -0.028 29.629 29.700 -0.072 0.000 0.750 785 E HN 0.240 nan 8.360 nan 0.000 0.458 786 R N 0.480 120.951 120.500 -0.049 0.000 2.092 786 R HA -0.095 4.245 4.340 0.001 0.000 0.231 786 R C 2.413 178.717 176.300 0.006 0.000 1.119 786 R CA 0.954 57.099 56.100 0.076 0.000 0.970 786 R CB -0.333 30.101 30.300 0.223 0.000 0.864 786 R HN 0.059 nan 8.270 nan 0.000 0.440 787 V N 0.537 120.229 119.914 -0.370 0.000 2.255 787 V HA -0.290 3.831 4.120 0.001 0.000 0.247 787 V C 2.232 178.308 176.094 -0.030 0.000 1.051 787 V CA 2.100 64.084 62.300 -0.528 0.000 1.018 787 V CB -0.526 30.928 31.823 -0.616 0.000 0.641 787 V HN 0.295 nan 8.190 nan 0.000 0.445 788 S N -0.087 115.568 115.700 -0.075 0.000 2.359 788 S HA -0.228 4.243 4.470 0.001 0.000 0.224 788 S C 2.196 176.855 174.600 0.098 0.000 1.035 788 S CA 1.581 59.772 58.200 -0.015 0.000 1.018 788 S CB -0.571 62.591 63.200 -0.063 0.000 0.876 788 S HN 0.670 nan 8.310 nan 0.000 0.448 789 A N 0.963 123.843 122.820 0.101 0.000 1.902 789 A HA -0.056 4.265 4.320 0.001 0.000 0.217 789 A C 2.116 179.817 177.584 0.196 0.000 1.181 789 A CA 1.391 53.509 52.037 0.135 0.000 0.623 789 A CB -0.659 18.410 19.000 0.115 0.000 0.818 789 A HN 0.425 nan 8.150 nan 0.000 0.443 790 L N -1.949 119.448 121.223 0.289 0.000 2.056 790 L HA -0.091 4.249 4.340 0.001 0.000 0.207 790 L C 2.260 179.394 176.870 0.439 0.000 1.078 790 L CA 1.994 57.073 54.840 0.397 0.000 0.749 790 L CB -0.829 41.564 42.059 0.557 0.000 0.901 790 L HN 0.500 nan 8.230 nan 0.000 0.433 791 Y N 0.423 120.869 120.300 0.243 0.000 2.315 791 Y HA -0.262 4.289 4.550 0.002 0.000 0.288 791 Y C 2.245 178.094 175.900 -0.085 0.000 1.154 791 Y CA 1.709 59.712 58.100 -0.161 0.000 1.229 791 Y CB -0.106 38.030 38.460 -0.539 0.000 0.980 791 Y HN 0.192 nan 8.280 nan 0.000 0.540 792 K N -0.110 120.355 120.400 0.108 0.000 2.515 792 K HA -0.130 4.190 4.320 0.001 0.000 0.196 792 K C 0.291 176.892 176.600 0.001 0.000 1.038 792 K CA 0.672 56.999 56.287 0.067 0.000 0.967 792 K CB -0.128 32.443 32.500 0.119 0.000 0.780 792 K HN 0.077 nan 8.250 nan 0.000 0.483 793 N N 0.490 119.199 118.700 0.016 0.000 2.851 793 N HA 0.139 4.879 4.740 0.001 0.000 0.248 793 N C -2.455 173.061 175.510 0.009 0.000 1.221 793 N CA -2.284 50.777 53.050 0.018 0.000 0.847 793 N CB 1.266 39.791 38.487 0.063 0.000 1.150 793 N HN -0.223 nan 8.380 nan 0.000 0.507 794 P HA -0.193 nan 4.420 nan 0.000 0.216 794 P C 1.389 178.698 177.300 0.015 0.000 1.157 794 P CA 1.216 64.245 63.100 -0.118 0.000 0.880 794 P CB 0.364 31.964 31.700 -0.166 0.000 0.791 795 R N 0.042 120.551 120.500 0.014 0.000 2.073 795 R HA -0.163 4.177 4.340 0.001 0.000 0.234 795 R C 1.922 178.262 176.300 0.066 0.000 1.134 795 R CA 1.513 57.633 56.100 0.034 0.000 0.952 795 R CB -0.393 29.920 30.300 0.021 0.000 0.850 795 R HN 0.093 nan 8.270 nan 0.000 0.433 796 E N -0.115 120.134 120.200 0.082 0.000 2.158 796 E HA -0.193 4.158 4.350 0.001 0.000 0.191 796 E C 1.601 178.273 176.600 0.120 0.000 0.982 796 E CA 0.496 56.946 56.400 0.083 0.000 0.823 796 E CB -0.424 29.322 29.700 0.076 0.000 0.766 796 E HN 0.511 nan 8.360 nan 0.000 0.468 797 W N 2.361 123.652 121.300 -0.016 0.000 2.335 797 W HA -0.208 4.452 4.660 -0.000 0.000 0.311 797 W C 1.585 178.101 176.519 -0.006 0.000 1.213 797 W CA 2.186 59.531 57.345 0.000 0.000 1.274 797 W CB -0.459 28.960 29.460 -0.068 0.000 1.148 797 W HN 0.030 nan 8.180 nan 0.000 0.498 798 T N 1.166 115.849 114.554 0.216 0.000 2.788 798 T HA -0.178 4.172 4.350 0.001 0.000 0.268 798 T C 1.869 176.581 174.700 0.019 0.000 1.044 798 T CA 1.734 63.896 62.100 0.104 0.000 1.139 798 T CB -0.334 68.583 68.868 0.081 0.000 0.867 798 T HN 0.184 nan 8.240 nan 0.000 0.454 799 R N 0.448 120.963 120.500 0.025 0.000 2.096 799 R HA 0.079 4.419 4.340 0.001 0.000 0.235 799 R C 2.488 178.774 176.300 -0.024 0.000 1.127 799 R CA 1.200 57.313 56.100 0.022 0.000 0.968 799 R CB -0.337 29.981 30.300 0.030 0.000 0.861 799 R HN 0.374 nan 8.270 nan 0.000 0.440 800 M N 0.500 120.045 119.600 -0.092 0.000 2.319 800 M HA -0.103 4.377 4.480 0.001 0.000 0.265 800 M C 1.812 178.000 176.300 -0.186 0.000 1.068 800 M CA 1.171 56.376 55.300 -0.159 0.000 1.118 800 M CB 0.286 32.739 32.600 -0.245 0.000 1.395 800 M HN -0.026 nan 8.290 nan 0.000 0.435 801 V N 0.873 120.664 119.914 -0.205 0.000 2.295 801 V HA -0.294 3.827 4.120 0.001 0.000 0.246 801 V C 2.197 178.272 176.094 -0.030 0.000 1.049 801 V CA 1.862 64.080 62.300 -0.138 0.000 1.024 801 V CB -0.559 31.207 31.823 -0.094 0.000 0.648 801 V HN 0.496 nan 8.190 nan 0.000 0.447 802 I N -0.340 120.240 120.570 0.018 0.000 2.264 802 I HA -0.273 3.898 4.170 0.001 0.000 0.248 802 I C 2.668 178.835 176.117 0.083 0.000 1.111 802 I CA 1.598 62.961 61.300 0.105 0.000 1.382 802 I CB -0.433 37.684 38.000 0.195 0.000 1.060 802 I HN 0.234 nan 8.210 nan 0.000 0.418 803 R N 0.494 121.016 120.500 0.037 0.000 2.152 803 R HA -0.107 4.233 4.340 0.001 0.000 0.232 803 R C 1.996 178.330 176.300 0.057 0.000 1.117 803 R CA 1.096 57.218 56.100 0.037 0.000 0.981 803 R CB -0.395 29.912 30.300 0.011 0.000 0.870 803 R HN 0.530 nan 8.270 nan 0.000 0.451 804 N N 0.629 119.351 118.700 0.036 0.000 2.148 804 N HA -0.047 4.693 4.740 0.001 0.000 0.186 804 N C 1.953 177.524 175.510 0.103 0.000 1.031 804 N CA 1.037 54.132 53.050 0.075 0.000 0.848 804 N CB 0.008 38.480 38.487 -0.024 0.000 1.005 804 N HN 0.104 nan 8.380 nan 0.000 0.427 805 I N 1.801 122.418 120.570 0.079 0.000 2.151 805 I HA -0.257 3.914 4.170 0.001 0.000 0.243 805 I C 2.399 178.577 176.117 0.101 0.000 1.080 805 I CA 1.093 62.450 61.300 0.095 0.000 1.339 805 I CB -0.381 37.673 38.000 0.089 0.000 1.039 805 I HN 0.085 nan 8.210 nan 0.000 0.409 806 A N 0.189 123.067 122.820 0.096 0.000 2.178 806 A HA -0.141 4.179 4.320 0.001 0.000 0.218 806 A C 1.898 179.525 177.584 0.071 0.000 1.157 806 A CA 1.930 54.012 52.037 0.074 0.000 0.689 806 A CB -0.858 18.181 19.000 0.065 0.000 0.787 806 A HN 0.563 nan 8.150 nan 0.000 0.465 807 T N -3.297 111.318 114.554 0.102 0.000 3.228 807 T HA 0.226 4.576 4.350 0.001 0.000 0.278 807 T C 1.064 175.874 174.700 0.184 0.000 1.014 807 T CA 0.531 62.697 62.100 0.110 0.000 0.904 807 T CB -0.149 68.786 68.868 0.112 0.000 1.110 807 T HN 0.463 nan 8.240 nan 0.000 0.541 808 S N 0.162 115.982 115.700 0.200 0.000 2.558 808 S HA 0.228 4.699 4.470 0.001 0.000 0.217 808 S C 2.250 176.992 174.600 0.236 0.000 0.975 808 S CA 0.429 58.821 58.200 0.320 0.000 0.912 808 S CB -0.691 62.661 63.200 0.255 0.000 0.776 808 S HN 0.524 nan 8.310 nan 0.000 0.526 809 G N 2.690 111.546 108.800 0.093 0.000 2.505 809 G HA2 -0.314 3.646 3.960 0.001 0.000 0.220 809 G HA3 -0.314 3.646 3.960 0.001 0.000 0.220 809 G C 1.331 176.169 174.900 -0.103 0.000 1.145 809 G CA 1.107 46.220 45.100 0.023 0.000 0.761 809 G HN 0.627 nan 8.290 nan 0.000 0.571 810 K N -0.283 119.932 120.400 -0.309 0.000 2.281 810 K HA -0.067 4.254 4.320 0.001 0.000 0.203 810 K C 1.322 177.529 176.600 -0.656 0.000 1.046 810 K CA 0.832 56.786 56.287 -0.555 0.000 0.938 810 K CB -0.259 31.756 32.500 -0.809 0.000 0.737 810 K HN 0.358 nan 8.250 nan 0.000 0.458 811 F N 0.898 120.879 119.950 0.053 0.000 2.731 811 F HA 0.156 4.683 4.527 -0.000 0.000 0.304 811 F C 0.928 176.776 175.800 0.079 0.000 1.133 811 F CA -0.237 57.801 58.000 0.063 0.000 1.380 811 F CB -0.036 38.999 39.000 0.058 0.000 1.079 811 F HN -0.139 nan 8.300 nan 0.000 0.550 812 S N 0.313 116.081 115.700 0.113 0.000 2.533 812 S HA 0.049 4.519 4.470 0.001 0.000 0.282 812 S C 1.568 176.246 174.600 0.130 0.000 1.304 812 S CA 0.090 58.362 58.200 0.119 0.000 1.063 812 S CB 0.624 63.863 63.200 0.066 0.000 0.881 812 S HN 0.393 nan 8.310 nan 0.000 0.493 813 S N 3.387 119.195 115.700 0.180 0.000 2.442 813 S HA -0.105 4.365 4.470 0.001 0.000 0.236 813 S C 1.038 175.705 174.600 0.112 0.000 1.007 813 S CA 0.961 59.296 58.200 0.224 0.000 0.965 813 S CB -0.380 63.032 63.200 0.353 0.000 0.773 813 S HN 0.799 nan 8.310 nan 0.000 0.504 814 D N 1.761 122.205 120.400 0.072 0.000 2.144 814 D HA -0.087 4.554 4.640 0.001 0.000 0.199 814 D C 2.096 178.398 176.300 0.002 0.000 0.984 814 D CA 0.784 54.802 54.000 0.029 0.000 0.834 814 D CB -0.360 40.453 40.800 0.022 0.000 0.955 814 D HN 0.311 nan 8.370 nan 0.000 0.465 815 R N 0.808 121.308 120.500 0.001 0.000 2.073 815 R HA -0.094 4.246 4.340 0.001 0.000 0.234 815 R C 1.880 178.156 176.300 -0.039 0.000 1.134 815 R CA 1.472 57.554 56.100 -0.031 0.000 0.952 815 R CB -0.797 29.470 30.300 -0.056 0.000 0.850 815 R HN 0.124 nan 8.270 nan 0.000 0.433 816 T N 2.262 116.816 114.554 -0.001 0.000 2.652 816 T HA -0.109 4.241 4.350 0.001 0.000 0.267 816 T C 1.946 176.614 174.700 -0.054 0.000 1.039 816 T CA 1.368 63.470 62.100 0.004 0.000 1.153 816 T CB -0.139 68.816 68.868 0.145 0.000 0.863 816 T HN 0.114 nan 8.240 nan 0.000 0.428 817 I N 1.710 122.193 120.570 -0.144 0.000 2.286 817 I HA -0.118 4.053 4.170 0.001 0.000 0.248 817 I C 2.913 178.971 176.117 -0.098 0.000 1.115 817 I CA 0.994 62.181 61.300 -0.188 0.000 1.392 817 I CB -1.560 36.326 38.000 -0.190 0.000 1.065 817 I HN 0.198 nan 8.210 nan 0.000 0.418 818 A N 0.242 123.024 122.820 -0.063 0.000 1.940 818 A HA -0.233 4.087 4.320 0.001 0.000 0.219 818 A C 2.223 179.745 177.584 -0.104 0.000 1.176 818 A CA 1.436 53.442 52.037 -0.052 0.000 0.631 818 A CB -0.525 18.454 19.000 -0.034 0.000 0.814 818 A HN 0.533 nan 8.150 nan 0.000 0.446 819 Q N -2.050 117.661 119.800 -0.148 0.000 2.187 819 Q HA -0.108 4.232 4.340 0.001 0.000 0.199 819 Q C 1.793 177.583 176.000 -0.350 0.000 0.957 819 Q CA 1.235 56.908 55.803 -0.216 0.000 0.857 819 Q CB -0.242 28.353 28.738 -0.238 0.000 0.929 819 Q HN 0.831 nan 8.270 nan 0.000 0.453 820 Y N 0.736 120.718 120.300 -0.529 0.000 2.181 820 Y HA -0.263 4.287 4.550 0.000 0.000 0.288 820 Y C 2.479 177.754 175.900 -1.041 0.000 1.146 820 Y CA 1.246 58.774 58.100 -0.953 0.000 1.164 820 Y CB -0.364 37.208 38.460 -1.481 0.000 0.982 820 Y HN 0.151 nan 8.280 nan 0.000 0.515 821 A N 0.313 122.865 122.820 -0.446 0.000 1.858 821 A HA -0.205 4.115 4.320 0.001 0.000 0.216 821 A C 2.227 179.804 177.584 -0.012 0.000 1.190 821 A CA 1.938 53.975 52.037 -0.000 0.000 0.617 821 A CB -0.540 18.550 19.000 0.150 0.000 0.827 821 A HN 0.415 nan 8.150 nan 0.000 0.443 822 R N -0.528 119.930 120.500 -0.070 0.000 2.075 822 R HA -0.030 4.310 4.340 0.001 0.000 0.226 822 R C 1.798 178.065 176.300 -0.055 0.000 1.114 822 R CA 1.490 57.567 56.100 -0.039 0.000 0.972 822 R CB -0.188 30.086 30.300 -0.043 0.000 0.869 822 R HN 0.647 nan 8.270 nan 0.000 0.437 823 E N -0.477 119.648 120.200 -0.125 0.000 2.447 823 E HA 0.085 4.436 4.350 0.001 0.000 0.195 823 E C 1.310 177.858 176.600 -0.087 0.000 1.028 823 E CA 0.453 56.790 56.400 -0.106 0.000 0.876 823 E CB 0.527 30.138 29.700 -0.149 0.000 0.885 823 E HN 0.320 nan 8.360 nan 0.000 0.500 824 I N -1.309 119.177 120.570 -0.139 0.000 3.873 824 I HA 0.026 4.196 4.170 0.001 0.000 0.284 824 I C 1.164 177.420 176.117 0.232 0.000 1.186 824 I CA -0.080 61.211 61.300 -0.015 0.000 1.362 824 I CB 0.321 38.186 38.000 -0.224 0.000 1.432 824 I HN 0.121 nan 8.210 nan 0.000 0.454 825 W N 1.512 122.907 121.300 0.159 0.000 2.737 825 W HA 0.334 4.995 4.660 0.001 0.000 0.262 825 W C 1.519 178.076 176.519 0.063 0.000 1.282 825 W CA 0.774 58.194 57.345 0.124 0.000 1.386 825 W CB -1.042 28.473 29.460 0.093 0.000 1.099 825 W HN 0.306 nan 8.180 nan 0.000 0.621 826 G N 1.214 110.148 108.800 0.223 0.000 2.225 826 G HA2 -0.103 3.858 3.960 0.001 0.000 0.264 826 G HA3 -0.103 3.858 3.960 0.001 0.000 0.264 826 G C -0.324 174.650 174.900 0.124 0.000 1.060 826 G CA 0.279 45.456 45.100 0.128 0.000 0.833 826 G HN 0.468 nan 8.290 nan 0.000 0.498 827 V N -3.454 116.552 119.914 0.152 0.000 2.925 827 V HA 0.908 5.029 4.120 0.001 0.000 0.311 827 V C -0.406 175.748 176.094 0.100 0.000 1.104 827 V CA -1.354 61.017 62.300 0.118 0.000 0.954 827 V CB 2.227 34.127 31.823 0.128 0.000 1.022 827 V HN 0.480 nan 8.190 nan 0.000 0.427 828 E N 5.236 125.475 120.200 0.066 0.000 2.146 828 E HA 0.638 4.988 4.350 0.001 0.000 0.282 828 E C -2.438 174.196 176.600 0.056 0.000 0.989 828 E CA -1.949 54.482 56.400 0.052 0.000 0.799 828 E CB 1.386 31.108 29.700 0.037 0.000 1.088 828 E HN 0.769 nan 8.360 nan 0.000 0.397 829 P HA 0.147 nan 4.420 nan 0.000 0.272 829 P C -0.978 176.349 177.300 0.045 0.000 1.223 829 P CA -0.450 62.683 63.100 0.054 0.000 0.784 829 P CB 1.260 32.987 31.700 0.044 0.000 0.923 830 S N 0.840 116.570 115.700 0.049 0.000 2.536 830 S HA 0.394 4.864 4.470 0.001 0.000 0.271 830 S C 0.200 174.827 174.600 0.045 0.000 1.134 830 S CA -0.775 57.452 58.200 0.046 0.000 0.897 830 S CB 1.178 64.411 63.200 0.054 0.000 1.094 830 S HN 0.236 nan 8.310 nan 0.000 0.473 831 R N 1.637 122.159 120.500 0.037 0.000 2.427 831 R HA 0.209 4.549 4.340 0.001 0.000 0.262 831 R C 0.101 176.418 176.300 0.028 0.000 0.943 831 R CA -0.161 55.961 56.100 0.037 0.000 1.081 831 R CB -0.259 30.063 30.300 0.037 0.000 1.166 831 R HN 0.682 nan 8.270 nan 0.000 0.534 832 Q N 1.750 121.566 119.800 0.027 0.000 2.311 832 Q HA 0.040 4.380 4.340 0.001 0.000 0.272 832 Q C -0.304 175.699 176.000 0.004 0.000 1.012 832 Q CA 0.157 55.969 55.803 0.015 0.000 0.891 832 Q CB 0.518 29.266 28.738 0.017 0.000 1.201 832 Q HN -0.062 nan 8.270 nan 0.000 0.391 833 R N 3.019 123.512 120.500 -0.011 0.000 2.590 833 R HA 0.212 4.552 4.340 0.001 0.000 0.274 833 R C -0.771 175.500 176.300 -0.048 0.000 1.061 833 R CA -0.412 55.670 56.100 -0.029 0.000 1.081 833 R CB 0.292 30.571 30.300 -0.034 0.000 0.984 833 R HN 0.617 nan 8.270 nan 0.000 0.448 834 L N 6.530 127.714 121.223 -0.065 0.000 2.357 834 L HA 0.470 4.810 4.340 0.001 0.000 0.273 834 L C -1.989 174.829 176.870 -0.087 0.000 1.080 834 L CA -2.258 52.516 54.840 -0.110 0.000 0.803 834 L CB 1.001 42.980 42.059 -0.132 0.000 1.174 834 L HN 0.659 nan 8.230 nan 0.000 0.443 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.061 63.100 -0.064 0.000 0.800 835 P CB 0.000 31.661 31.700 -0.065 0.000 0.726