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 1v3q_1_E DATA FIRST_RESID 2 DATA SEQUENCE ENGYTYEDYK NTAEWLLSHT KHRPQVAIIC GSGLGGLTDK LTQAQIFDYS DATA SEQUENCE EIPNFPRSTV PGHAGRLVFG FLNGRACVMM QGRFHMYEGY PLWKVTFPVR DATA SEQUENCE VFHLLGVDTL VVTNAAGGLN PKFEVGDIML IRDHINLPGF SGQNPLRGPN DATA SEQUENCE DERFGDRFPA MSDAYDRTMR QRALSTWKQM GEQRELQEGT YVMVAGPSFE DATA SEQUENCE TVAECRVLQK LGADAVGMST VPEVIVARHC GLRVFGFSLI TNKVIMDYES DATA SEQUENCE LEKANHEEVL AAGKQAAQKL EQFVSILMAS IPLPDKAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.530 176.600 -0.117 0.000 1.382 2 E CA 0.000 56.459 56.400 0.098 0.000 0.976 2 E CB 0.000 29.867 29.700 0.279 0.000 0.812 3 N N 1.078 119.585 118.700 -0.323 0.000 1.862 3 N HA -0.198 4.542 4.740 0.000 0.000 0.319 3 N C 1.058 175.652 175.510 -1.527 0.000 1.216 3 N CA 2.491 55.125 53.050 -0.694 0.000 0.806 3 N CB 0.233 38.366 38.487 -0.591 0.000 1.023 3 N HN 0.495 nan 8.380 nan 0.000 0.495 4 G N 2.346 110.384 108.800 -1.269 0.000 3.922 4 G HA2 -0.290 3.670 3.960 0.000 0.000 0.208 4 G HA3 -0.290 3.670 3.960 0.000 0.000 0.208 4 G C -0.588 173.799 174.900 -0.855 0.000 1.491 4 G CA 0.256 44.367 45.100 -1.649 0.000 1.017 4 G HN 0.636 nan 8.290 nan 0.000 0.603 5 Y N 2.076 122.119 120.300 -0.429 0.000 2.519 5 Y HA 0.669 5.219 4.550 0.000 0.000 0.324 5 Y C 1.042 176.869 175.900 -0.121 0.000 1.214 5 Y CA 0.190 58.124 58.100 -0.278 0.000 1.260 5 Y CB 1.677 39.880 38.460 -0.429 0.000 1.311 5 Y HN 0.377 nan 8.280 nan 0.000 0.505 6 T N -1.564 113.059 114.554 0.115 0.000 2.910 6 T HA 0.148 4.498 4.350 0.000 0.000 0.287 6 T C 0.259 175.197 174.700 0.396 0.000 1.050 6 T CA -0.650 61.581 62.100 0.220 0.000 1.011 6 T CB 1.037 69.984 68.868 0.132 0.000 1.195 6 T HN 0.596 nan 8.240 nan 0.000 0.540 7 Y N 1.258 121.755 120.300 0.329 0.000 2.053 7 Y HA -0.199 4.352 4.550 0.000 0.000 0.277 7 Y C 2.431 178.509 175.900 0.297 0.000 1.159 7 Y CA 2.056 60.368 58.100 0.355 0.000 1.125 7 Y CB -0.353 38.135 38.460 0.047 0.000 0.969 7 Y HN 0.777 nan 8.280 nan 0.000 0.492 8 E N -0.476 119.888 120.200 0.272 0.000 2.219 8 E HA -0.243 4.107 4.350 0.000 0.000 0.198 8 E C 1.663 178.315 176.600 0.087 0.000 0.998 8 E CA 1.201 57.692 56.400 0.152 0.000 0.818 8 E CB -0.212 29.571 29.700 0.138 0.000 0.741 8 E HN 0.589 nan 8.360 nan 0.000 0.477 9 D N 0.082 120.521 120.400 0.065 0.000 2.117 9 D HA -0.136 4.505 4.640 0.000 0.000 0.198 9 D C 1.763 178.049 176.300 -0.023 0.000 0.982 9 D CA 1.092 55.089 54.000 -0.005 0.000 0.828 9 D CB -0.285 40.491 40.800 -0.040 0.000 0.967 9 D HN 0.280 nan 8.370 nan 0.000 0.464 10 Y N 1.681 122.006 120.300 0.041 0.000 2.163 10 Y HA -0.151 4.399 4.550 0.000 0.000 0.288 10 Y C 2.461 178.290 175.900 -0.119 0.000 1.136 10 Y CA 1.096 59.151 58.100 -0.075 0.000 1.147 10 Y CB -0.445 37.948 38.460 -0.110 0.000 0.987 10 Y HN -0.090 nan 8.280 nan 0.000 0.509 11 K N 1.073 121.465 120.400 -0.014 0.000 2.001 11 K HA -0.287 4.033 4.320 0.000 0.000 0.214 11 K C 1.488 178.123 176.600 0.058 0.000 1.050 11 K CA 2.368 58.642 56.287 -0.021 0.000 0.934 11 K CB -0.826 31.672 32.500 -0.003 0.000 0.718 11 K HN 0.457 nan 8.250 nan 0.000 0.443 12 N N -0.309 118.436 118.700 0.075 0.000 2.192 12 N HA -0.134 4.606 4.740 0.000 0.000 0.188 12 N C 1.436 177.027 175.510 0.135 0.000 1.013 12 N CA 1.854 54.966 53.050 0.103 0.000 0.863 12 N CB -0.099 38.438 38.487 0.082 0.000 0.990 12 N HN 0.373 nan 8.380 nan 0.000 0.430 13 T N -0.015 114.608 114.554 0.116 0.000 2.937 13 T HA 0.100 4.450 4.350 0.000 0.000 0.260 13 T C 2.079 176.889 174.700 0.183 0.000 1.051 13 T CA 0.755 62.938 62.100 0.139 0.000 1.141 13 T CB -0.151 68.820 68.868 0.172 0.000 0.879 13 T HN 0.290 nan 8.240 nan 0.000 0.459 14 A N 2.092 124.987 122.820 0.124 0.000 1.845 14 A HA -0.158 4.162 4.320 0.000 0.000 0.215 14 A C 2.167 179.837 177.584 0.143 0.000 1.195 14 A CA 1.750 53.858 52.037 0.117 0.000 0.616 14 A CB -0.700 18.332 19.000 0.054 0.000 0.832 14 A HN 0.540 nan 8.150 nan 0.000 0.443 15 E N -1.621 118.657 120.200 0.130 0.000 2.049 15 E HA -0.291 4.060 4.350 0.000 0.000 0.198 15 E C 1.795 178.497 176.600 0.170 0.000 1.007 15 E CA 1.559 58.035 56.400 0.127 0.000 0.809 15 E CB -0.342 29.426 29.700 0.114 0.000 0.749 15 E HN 0.812 nan 8.360 nan 0.000 0.450 16 W N 1.600 122.910 121.300 0.017 0.000 2.305 16 W HA -0.245 4.415 4.660 0.000 0.000 0.308 16 W C 1.855 178.339 176.519 -0.058 0.000 1.226 16 W CA 1.540 58.869 57.345 -0.026 0.000 1.253 16 W CB -0.220 29.162 29.460 -0.130 0.000 1.146 16 W HN 0.004 nan 8.180 nan 0.000 0.507 17 L N -0.500 120.892 121.223 0.283 0.000 2.017 17 L HA -0.272 4.068 4.340 0.000 0.000 0.208 17 L C 2.437 179.282 176.870 -0.042 0.000 1.073 17 L CA 0.833 55.694 54.840 0.036 0.000 0.745 17 L CB -1.175 40.966 42.059 0.136 0.000 0.894 17 L HN 0.061 nan 8.230 nan 0.000 0.432 18 L N 0.209 121.466 121.223 0.057 0.000 1.944 18 L HA -0.238 4.102 4.340 0.000 0.000 0.218 18 L C 2.698 179.567 176.870 -0.002 0.000 1.075 18 L CA 2.336 57.208 54.840 0.054 0.000 0.767 18 L CB -1.460 40.639 42.059 0.066 0.000 0.890 18 L HN 0.390 nan 8.230 nan 0.000 0.434 19 S N -2.092 113.598 115.700 -0.016 0.000 2.795 19 S HA -0.130 4.340 4.470 0.000 0.000 0.236 19 S C 0.994 175.438 174.600 -0.261 0.000 0.973 19 S CA 0.795 58.942 58.200 -0.089 0.000 0.982 19 S CB -0.745 62.419 63.200 -0.061 0.000 0.786 19 S HN 0.598 nan 8.310 nan 0.000 0.538 20 H N -0.750 118.125 119.070 -0.324 0.000 3.398 20 H HA 0.414 4.970 4.556 0.000 0.000 0.260 20 H C 0.109 175.406 175.328 -0.052 0.000 1.189 20 H CA 0.214 56.071 56.048 -0.319 0.000 1.145 20 H CB 1.266 30.563 29.762 -0.775 0.000 1.599 20 H HN 0.412 nan 8.280 nan 0.000 0.615 21 T N -0.437 114.130 114.554 0.022 0.000 2.894 21 T HA 0.316 4.666 4.350 0.000 0.000 0.309 21 T C -0.075 174.678 174.700 0.088 0.000 1.208 21 T CA -0.749 61.401 62.100 0.082 0.000 1.016 21 T CB 1.149 70.005 68.868 -0.019 0.000 1.192 21 T HN 0.245 nan 8.240 nan 0.000 0.491 22 K N 1.095 121.569 120.400 0.124 0.000 2.361 22 K HA 0.253 4.574 4.320 0.000 0.000 0.194 22 K C 0.622 177.254 176.600 0.053 0.000 1.032 22 K CA 0.417 56.728 56.287 0.040 0.000 1.048 22 K CB -0.074 32.407 32.500 -0.033 0.000 0.842 22 K HN 0.556 nan 8.250 nan 0.000 0.526 23 H N 2.000 121.138 119.070 0.115 0.000 2.722 23 H HA 0.250 4.806 4.556 0.000 0.000 0.328 23 H C -0.304 175.110 175.328 0.144 0.000 1.067 23 H CA -0.276 55.841 56.048 0.115 0.000 1.447 23 H CB 0.816 30.692 29.762 0.190 0.000 1.469 23 H HN -0.059 nan 8.280 nan 0.000 0.544 24 R N 4.111 124.715 120.500 0.172 0.000 2.396 24 R HA 0.228 4.568 4.340 0.000 0.000 0.292 24 R C -2.419 173.903 176.300 0.038 0.000 1.240 24 R CA -1.866 54.303 56.100 0.115 0.000 1.270 24 R CB 0.829 31.180 30.300 0.084 0.000 1.108 24 R HN 0.580 nan 8.270 nan 0.000 0.573 25 P HA 0.022 nan 4.420 nan 0.000 0.269 25 P C -0.054 177.182 177.300 -0.107 0.000 1.215 25 P CA -0.038 62.961 63.100 -0.169 0.000 0.780 25 P CB 1.557 33.021 31.700 -0.393 0.000 0.898 26 Q N 0.817 120.552 119.800 -0.108 0.000 2.532 26 Q HA 0.138 4.478 4.340 0.000 0.000 0.247 26 Q C -0.261 175.689 176.000 -0.084 0.000 0.872 26 Q CA 0.446 56.215 55.803 -0.057 0.000 0.963 26 Q CB 0.805 29.535 28.738 -0.012 0.000 1.159 26 Q HN 0.301 nan 8.270 nan 0.000 0.598 27 V N 1.832 121.672 119.914 -0.123 0.000 2.417 27 V HA 0.632 4.752 4.120 0.000 0.000 0.291 27 V C -0.522 175.416 176.094 -0.261 0.000 1.024 27 V CA -0.607 61.609 62.300 -0.140 0.000 0.861 27 V CB 1.270 33.043 31.823 -0.083 0.000 0.985 27 V HN 0.300 nan 8.190 nan 0.000 0.436 28 A N 6.532 129.172 122.820 -0.300 0.000 2.276 28 A HA 0.864 5.184 4.320 0.000 0.000 0.316 28 A C -0.608 176.785 177.584 -0.318 0.000 1.229 28 A CA -0.453 51.292 52.037 -0.487 0.000 0.851 28 A CB 0.414 19.043 19.000 -0.619 0.000 1.165 28 A HN 0.780 nan 8.150 nan 0.000 0.513 29 I N 3.378 123.770 120.570 -0.297 0.000 2.389 29 I HA 0.347 4.517 4.170 0.000 0.000 0.288 29 I C -0.772 175.275 176.117 -0.117 0.000 0.999 29 I CA -0.266 60.919 61.300 -0.191 0.000 1.129 29 I CB 1.688 39.598 38.000 -0.150 0.000 1.288 29 I HN 0.496 nan 8.210 nan 0.000 0.444 30 I N 5.586 126.104 120.570 -0.087 0.000 2.328 30 I HA 0.296 4.466 4.170 0.000 0.000 0.287 30 I C -0.336 175.748 176.117 -0.056 0.000 1.012 30 I CA -0.475 60.801 61.300 -0.040 0.000 1.195 30 I CB 1.166 39.145 38.000 -0.034 0.000 1.350 30 I HN 0.549 nan 8.210 nan 0.000 0.464 31 C N 5.233 124.520 119.300 -0.022 0.000 2.435 31 C HA 0.571 5.031 4.460 0.000 0.000 0.375 31 C C 1.323 176.322 174.990 0.016 0.000 1.281 31 C CA -0.555 58.465 59.018 0.003 0.000 1.963 31 C CB 0.030 27.784 27.740 0.023 0.000 2.490 31 C HN 0.928 nan 8.230 nan 0.000 0.557 32 G N 1.530 110.351 108.800 0.035 0.000 2.535 32 G HA2 0.421 4.381 3.960 0.000 0.000 0.282 32 G HA3 0.421 4.381 3.960 0.000 0.000 0.282 32 G C 0.082 175.049 174.900 0.112 0.000 1.350 32 G CA -0.227 44.915 45.100 0.071 0.000 1.039 32 G HN 0.915 nan 8.290 nan 0.000 0.509 33 S N -1.120 114.680 115.700 0.166 0.000 2.563 33 S HA 0.343 4.813 4.470 0.000 0.000 0.294 33 S C 1.715 176.394 174.600 0.133 0.000 1.279 33 S CA 1.022 59.330 58.200 0.180 0.000 1.069 33 S CB -0.167 63.181 63.200 0.246 0.000 0.828 33 S HN 2.348 nan 8.310 nan 0.000 0.497 34 G N 3.475 112.343 108.800 0.113 0.000 2.200 34 G HA2 -0.231 3.729 3.960 0.000 0.000 0.268 34 G HA3 -0.231 3.729 3.960 0.000 0.000 0.268 34 G C 0.431 175.377 174.900 0.077 0.000 0.986 34 G CA 0.862 46.012 45.100 0.083 0.000 0.677 34 G HN 0.929 nan 8.290 nan 0.000 0.532 35 L N -0.133 121.140 121.223 0.082 0.000 2.910 35 L HA 0.389 4.729 4.340 0.000 0.000 0.252 35 L C 2.238 179.148 176.870 0.067 0.000 1.195 35 L CA 0.370 55.257 54.840 0.079 0.000 1.003 35 L CB 0.291 42.405 42.059 0.092 0.000 1.328 35 L HN 0.168 nan 8.230 nan 0.000 0.540 36 G N 0.154 108.991 108.800 0.062 0.000 2.848 36 G HA2 -0.039 3.921 3.960 0.000 0.000 0.208 36 G HA3 -0.039 3.921 3.960 0.000 0.000 0.208 36 G C 1.444 176.370 174.900 0.043 0.000 1.152 36 G CA 0.578 45.708 45.100 0.049 0.000 0.789 36 G HN 0.442 nan 8.290 nan 0.000 0.531 37 G N 1.027 109.856 108.800 0.049 0.000 2.470 37 G HA2 -0.168 3.792 3.960 0.000 0.000 0.220 37 G HA3 -0.168 3.792 3.960 0.000 0.000 0.220 37 G C 1.657 176.582 174.900 0.042 0.000 1.121 37 G CA 0.398 45.525 45.100 0.044 0.000 0.766 37 G HN 0.440 nan 8.290 nan 0.000 0.553 38 L N 1.291 122.541 121.223 0.045 0.000 2.089 38 L HA -0.213 4.127 4.340 0.000 0.000 0.213 38 L C 3.387 180.274 176.870 0.028 0.000 1.079 38 L CA 1.941 56.806 54.840 0.041 0.000 0.758 38 L CB -0.710 41.372 42.059 0.038 0.000 0.891 38 L HN 0.457 nan 8.230 nan 0.000 0.433 39 T N -3.740 110.827 114.554 0.021 0.000 2.699 39 T HA -0.275 4.075 4.350 0.000 0.000 0.268 39 T C 1.357 176.070 174.700 0.021 0.000 1.036 39 T CA 1.666 63.775 62.100 0.014 0.000 1.147 39 T CB -0.693 68.183 68.868 0.013 0.000 0.862 39 T HN 0.296 nan 8.240 nan 0.000 0.446 40 D N 1.964 122.381 120.400 0.027 0.000 2.157 40 D HA -0.119 4.521 4.640 0.000 0.000 0.191 40 D C 2.022 178.343 176.300 0.035 0.000 1.004 40 D CA 1.389 55.407 54.000 0.030 0.000 0.854 40 D CB -0.246 40.572 40.800 0.031 0.000 0.936 40 D HN 0.587 nan 8.370 nan 0.000 0.446 41 K N 0.018 120.441 120.400 0.038 0.000 2.555 41 K HA 0.043 4.363 4.320 0.000 0.000 0.193 41 K C 0.726 177.358 176.600 0.054 0.000 1.032 41 K CA 0.116 56.430 56.287 0.045 0.000 1.004 41 K CB 0.173 32.702 32.500 0.047 0.000 0.804 41 K HN 0.217 nan 8.250 nan 0.000 0.496 42 L N 0.434 121.686 121.223 0.049 0.000 2.470 42 L HA 0.137 4.477 4.340 0.000 0.000 0.243 42 L C 0.640 177.570 176.870 0.101 0.000 1.227 42 L CA 0.017 54.898 54.840 0.068 0.000 0.824 42 L CB 0.594 42.674 42.059 0.034 0.000 1.175 42 L HN -0.026 nan 8.230 nan 0.000 0.503 43 T N -0.911 113.742 114.554 0.166 0.000 2.923 43 T HA 0.221 4.571 4.350 0.000 0.000 0.311 43 T C -0.709 174.183 174.700 0.320 0.000 1.183 43 T CA -0.349 61.870 62.100 0.198 0.000 1.020 43 T CB 1.259 70.236 68.868 0.181 0.000 1.165 43 T HN 0.604 nan 8.240 nan 0.000 0.482 44 Q N -0.276 119.689 119.800 0.275 0.000 2.494 44 Q HA -0.154 4.186 4.340 0.000 0.000 0.266 44 Q C 0.129 176.314 176.000 0.309 0.000 1.053 44 Q CA 0.930 56.946 55.803 0.356 0.000 1.029 44 Q CB -2.236 26.885 28.738 0.637 0.000 1.423 44 Q HN 1.055 nan 8.270 nan 0.000 0.516 45 A N 1.091 124.005 122.820 0.156 0.000 2.524 45 A HA 0.253 4.573 4.320 0.000 0.000 0.250 45 A C 0.432 178.038 177.584 0.037 0.000 1.078 45 A CA 0.453 52.524 52.037 0.057 0.000 0.761 45 A CB 0.317 19.342 19.000 0.041 0.000 1.012 45 A HN 0.300 nan 8.150 nan 0.000 0.500 46 Q N 3.187 122.977 119.800 -0.017 0.000 2.394 46 Q HA 0.494 4.834 4.340 0.000 0.000 0.261 46 Q C -1.178 174.769 176.000 -0.089 0.000 1.023 46 Q CA -0.366 55.396 55.803 -0.069 0.000 0.720 46 Q CB 0.762 29.464 28.738 -0.060 0.000 1.241 46 Q HN 0.764 nan 8.270 nan 0.000 0.483 47 I N 3.201 123.696 120.570 -0.126 0.000 2.575 47 I HA 0.255 4.425 4.170 0.000 0.000 0.285 47 I C -0.533 175.447 176.117 -0.228 0.000 1.085 47 I CA -0.104 61.148 61.300 -0.081 0.000 1.403 47 I CB 0.502 38.463 38.000 -0.065 0.000 1.409 47 I HN 0.531 nan 8.210 nan 0.000 0.557 48 F N 2.980 122.932 119.950 0.002 0.000 2.536 48 F HA 0.247 4.775 4.527 0.000 0.000 0.322 48 F C -0.001 175.774 175.800 -0.042 0.000 1.144 48 F CA -0.842 57.161 58.000 0.004 0.000 0.924 48 F CB 1.493 40.505 39.000 0.019 0.000 1.181 48 F HN 0.383 nan 8.300 nan 0.000 0.438 49 D N 2.448 122.948 120.400 0.168 0.000 2.348 49 D HA 0.089 4.729 4.640 0.000 0.000 0.253 49 D C 0.831 177.176 176.300 0.075 0.000 1.161 49 D CA 0.288 54.313 54.000 0.042 0.000 0.876 49 D CB 0.615 41.447 40.800 0.053 0.000 1.160 49 D HN 0.334 nan 8.370 nan 0.000 0.459 50 Y N 1.667 121.940 120.300 -0.045 0.000 2.030 50 Y HA -0.319 4.232 4.550 0.000 0.000 0.272 50 Y C 2.591 178.462 175.900 -0.048 0.000 1.185 50 Y CA 1.326 59.328 58.100 -0.164 0.000 1.120 50 Y CB -1.202 37.339 38.460 0.135 0.000 0.955 50 Y HN 0.418 nan 8.280 nan 0.000 0.495 51 S N -0.383 115.453 115.700 0.227 0.000 2.392 51 S HA -0.283 4.187 4.470 0.000 0.000 0.232 51 S C 1.891 176.512 174.600 0.034 0.000 1.041 51 S CA 1.549 59.828 58.200 0.132 0.000 1.026 51 S CB -0.447 62.824 63.200 0.118 0.000 0.845 51 S HN 0.592 nan 8.310 nan 0.000 0.465 52 E N 0.715 120.933 120.200 0.030 0.000 2.338 52 E HA -0.040 4.310 4.350 0.000 0.000 0.197 52 E C -0.103 176.294 176.600 -0.338 0.000 1.007 52 E CA 0.269 56.660 56.400 -0.014 0.000 0.849 52 E CB -0.030 29.776 29.700 0.177 0.000 0.774 52 E HN 0.530 nan 8.360 nan 0.000 0.506 53 I N 1.560 121.882 120.570 -0.414 0.000 2.371 53 I HA 0.081 4.251 4.170 0.000 0.000 0.290 53 I C -1.645 174.166 176.117 -0.510 0.000 1.028 53 I CA -1.999 58.817 61.300 -0.807 0.000 1.345 53 I CB 0.885 38.623 38.000 -0.438 0.000 1.407 53 I HN -0.140 nan 8.210 nan 0.000 0.501 54 P HA -0.270 nan 4.420 nan 0.000 0.224 54 P C 0.568 177.772 177.300 -0.160 0.000 1.130 54 P CA 1.849 64.722 63.100 -0.378 0.000 0.976 54 P CB 0.059 31.536 31.700 -0.372 0.000 0.781 55 N N -3.428 115.216 118.700 -0.093 0.000 2.200 55 N HA 0.102 4.842 4.740 0.000 0.000 0.224 55 N C -0.170 175.102 175.510 -0.397 0.000 1.179 55 N CA -0.177 52.767 53.050 -0.175 0.000 0.877 55 N CB 0.062 38.419 38.487 -0.217 0.000 1.072 55 N HN 0.135 nan 8.380 nan 0.000 0.519 56 F N 3.126 122.929 119.950 -0.246 0.000 2.541 56 F HA 0.148 4.676 4.527 0.000 0.000 0.378 56 F C -1.693 173.975 175.800 -0.220 0.000 1.068 56 F CA -1.413 56.493 58.000 -0.155 0.000 1.199 56 F CB 0.616 39.633 39.000 0.028 0.000 1.091 56 F HN -0.120 nan 8.300 nan 0.000 0.555 57 P HA 0.032 nan 4.420 nan 0.000 0.262 57 P C -0.238 176.984 177.300 -0.130 0.000 1.199 57 P CA 0.286 63.115 63.100 -0.450 0.000 0.763 57 P CB 0.456 31.454 31.700 -1.170 0.000 0.790 58 R N 1.868 122.423 120.500 0.092 0.000 3.064 58 R HA 0.225 4.566 4.340 0.000 0.000 0.280 58 R C 0.612 177.174 176.300 0.436 0.000 1.182 58 R CA 0.411 56.698 56.100 0.311 0.000 1.155 58 R CB 0.157 30.585 30.300 0.213 0.000 1.112 58 R HN 0.463 nan 8.270 nan 0.000 0.564 59 S N -0.786 115.219 115.700 0.508 0.000 2.617 59 S HA 0.194 4.664 4.470 0.000 0.000 0.237 59 S C -0.296 174.511 174.600 0.345 0.000 1.142 59 S CA -0.351 58.194 58.200 0.575 0.000 1.167 59 S CB 0.181 63.768 63.200 0.645 0.000 1.068 59 S HN 0.812 nan 8.310 nan 0.000 0.470 60 T N 0.173 114.867 114.554 0.234 0.000 0.542 60 T HA -0.235 4.115 4.350 0.000 0.000 0.774 60 T C 1.028 175.804 174.700 0.125 0.000 0.992 60 T CA 0.322 62.492 62.100 0.118 0.000 4.077 60 T CB -1.479 67.434 68.868 0.075 0.000 2.303 60 T HN 0.510 nan 8.240 nan 0.000 0.398 61 V N 1.527 121.500 119.914 0.099 0.000 2.599 61 V HA 0.034 4.154 4.120 0.000 0.000 0.245 61 V C -0.858 175.347 176.094 0.184 0.000 1.046 61 V CA 1.792 64.169 62.300 0.128 0.000 1.065 61 V CB -1.457 30.429 31.823 0.105 0.000 0.703 61 V HN 0.661 nan 8.190 nan 0.000 0.464 62 P HA 0.077 nan 4.420 nan 0.000 0.253 62 P C 1.038 178.119 177.300 -0.365 0.000 1.281 62 P CA 0.661 63.605 63.100 -0.260 0.000 0.792 62 P CB -0.309 31.268 31.700 -0.205 0.000 1.193 63 G N -0.719 108.104 108.800 0.038 0.000 3.356 63 G HA2 -0.096 3.864 3.960 0.000 0.000 0.239 63 G HA3 -0.096 3.864 3.960 0.000 0.000 0.239 63 G C 0.608 175.595 174.900 0.145 0.000 1.252 63 G CA -0.123 45.044 45.100 0.112 0.000 1.611 63 G HN 0.410 nan 8.290 nan 0.000 0.580 64 H N 0.698 119.803 119.070 0.058 0.000 2.290 64 H HA -0.054 4.502 4.556 0.000 0.000 0.298 64 H C 2.231 177.558 175.328 -0.002 0.000 1.087 64 H CA 0.739 56.804 56.048 0.028 0.000 1.291 64 H CB 0.270 30.055 29.762 0.037 0.000 1.369 64 H HN 0.434 nan 8.280 nan 0.000 0.492 65 A N 1.654 124.539 122.820 0.109 0.000 3.135 65 A HA 0.329 4.649 4.320 0.000 0.000 0.253 65 A C 0.957 178.514 177.584 -0.045 0.000 1.638 65 A CA 0.278 52.333 52.037 0.031 0.000 1.295 65 A CB -0.725 18.306 19.000 0.051 0.000 1.106 65 A HN 0.475 nan 8.150 nan 0.000 0.648 66 G N 1.510 110.233 108.800 -0.129 0.000 4.662 66 G HA2 0.477 4.437 3.960 0.000 0.000 0.328 66 G HA3 0.477 4.437 3.960 0.000 0.000 0.328 66 G C 0.044 174.375 174.900 -0.949 0.000 1.451 66 G CA -0.512 44.356 45.100 -0.385 0.000 1.154 66 G HN 0.620 nan 8.290 nan 0.000 0.547 67 R N 0.540 120.506 120.500 -0.890 0.000 2.774 67 R HA 0.550 4.890 4.340 0.000 0.000 0.272 67 R C -2.360 173.788 176.300 -0.254 0.000 1.000 67 R CA -1.258 54.456 56.100 -0.644 0.000 0.906 67 R CB 1.390 31.550 30.300 -0.233 0.000 1.227 67 R HN 0.142 nan 8.270 nan 0.000 0.468 68 L N 2.198 123.443 121.223 0.036 0.000 2.301 68 L HA 0.366 4.706 4.340 0.000 0.000 0.278 68 L C -1.112 175.950 176.870 0.320 0.000 1.022 68 L CA -0.602 54.411 54.840 0.289 0.000 0.854 68 L CB 1.411 43.695 42.059 0.375 0.000 1.226 68 L HN 0.472 nan 8.230 nan 0.000 0.429 69 V N 4.501 124.532 119.914 0.194 0.000 2.546 69 V HA 0.402 4.522 4.120 0.000 0.000 0.284 69 V C -0.082 176.120 176.094 0.179 0.000 1.050 69 V CA -0.391 62.013 62.300 0.174 0.000 0.981 69 V CB 0.935 32.786 31.823 0.046 0.000 0.990 69 V HN 0.410 nan 8.190 nan 0.000 0.474 70 F N 2.059 121.919 119.950 -0.151 0.000 2.492 70 F HA 0.920 5.448 4.527 0.000 0.000 0.327 70 F C 0.752 176.234 175.800 -0.531 0.000 1.079 70 F CA 0.073 57.856 58.000 -0.362 0.000 0.967 70 F CB 2.045 40.788 39.000 -0.428 0.000 1.169 70 F HN 0.820 nan 8.300 nan 0.000 0.472 71 G N 1.113 109.614 108.800 -0.498 0.000 2.335 71 G HA2 0.408 4.369 3.960 0.000 0.000 0.291 71 G HA3 0.408 4.369 3.960 0.000 0.000 0.291 71 G C -2.264 172.415 174.900 -0.368 0.000 1.261 71 G CA -0.825 44.094 45.100 -0.302 0.000 0.871 71 G HN 0.243 nan 8.290 nan 0.000 0.491 72 F N -0.302 119.705 119.950 0.096 0.000 2.520 72 F HA 0.811 5.338 4.527 0.000 0.000 0.322 72 F C -0.249 175.571 175.800 0.034 0.000 1.103 72 F CA -0.810 57.232 58.000 0.070 0.000 0.926 72 F CB 2.367 41.417 39.000 0.084 0.000 1.154 72 F HN 0.415 nan 8.300 nan 0.000 0.453 73 L N 3.256 124.595 121.223 0.192 0.000 2.438 73 L HA 0.444 4.784 4.340 0.000 0.000 0.270 73 L C 0.260 177.194 176.870 0.107 0.000 0.972 73 L CA -0.518 54.391 54.840 0.115 0.000 0.831 73 L CB 1.464 43.555 42.059 0.054 0.000 1.273 73 L HN 0.684 nan 8.230 nan 0.000 0.405 74 N N 3.729 122.482 118.700 0.088 0.000 2.654 74 N HA -0.211 4.530 4.740 0.000 0.000 0.248 74 N C 0.835 176.386 175.510 0.068 0.000 1.116 74 N CA 2.098 55.188 53.050 0.067 0.000 0.730 74 N CB -0.679 37.843 38.487 0.058 0.000 1.040 74 N HN 1.328 nan 8.380 nan 0.000 0.548 75 G N -2.666 106.190 108.800 0.093 0.000 2.428 75 G HA2 -0.196 3.764 3.960 0.000 0.000 0.199 75 G HA3 -0.196 3.764 3.960 0.000 0.000 0.199 75 G C -0.151 174.833 174.900 0.140 0.000 1.005 75 G CA 0.014 45.167 45.100 0.088 0.000 0.671 75 G HN 0.379 nan 8.290 nan 0.000 0.485 76 R N 0.537 121.129 120.500 0.153 0.000 2.732 76 R HA 0.756 5.096 4.340 0.000 0.000 0.278 76 R C -0.100 176.302 176.300 0.170 0.000 0.976 76 R CA -0.085 56.103 56.100 0.146 0.000 0.963 76 R CB 1.603 31.944 30.300 0.067 0.000 1.150 76 R HN 0.604 nan 8.270 nan 0.000 0.478 77 A N 2.165 125.043 122.820 0.097 0.000 2.666 77 A HA 0.293 4.613 4.320 0.000 0.000 0.312 77 A C 0.364 177.815 177.584 -0.223 0.000 1.471 77 A CA -0.541 51.385 52.037 -0.185 0.000 1.134 77 A CB -0.513 18.359 19.000 -0.213 0.000 1.129 77 A HN 0.705 nan 8.150 nan 0.000 0.539 78 C N 0.316 119.471 119.300 -0.243 0.000 2.705 78 C HA 0.665 5.125 4.460 0.000 0.000 0.311 78 C C 0.728 175.412 174.990 -0.509 0.000 1.576 78 C CA -0.118 58.719 59.018 -0.301 0.000 2.161 78 C CB 1.064 28.675 27.740 -0.216 0.000 2.032 78 C HN 0.835 nan 8.230 nan 0.000 0.616 79 V N 1.820 121.378 119.914 -0.593 0.000 2.719 79 V HA 0.442 4.562 4.120 0.000 0.000 0.289 79 V C -1.075 174.664 176.094 -0.593 0.000 1.167 79 V CA -0.194 61.588 62.300 -0.863 0.000 0.929 79 V CB 1.005 32.067 31.823 -1.269 0.000 1.050 79 V HN 0.885 nan 8.190 nan 0.000 0.448 80 M N 6.707 126.106 119.600 -0.335 0.000 2.472 80 M HA 0.606 5.086 4.480 0.000 0.000 0.331 80 M C -0.423 175.871 176.300 -0.010 0.000 1.170 80 M CA -0.480 54.719 55.300 -0.168 0.000 1.009 80 M CB 2.324 34.865 32.600 -0.099 0.000 1.672 80 M HN 0.497 nan 8.290 nan 0.000 0.453 81 M N 2.567 122.200 119.600 0.055 0.000 2.047 81 M HA 0.255 4.735 4.480 0.000 0.000 0.342 81 M C -0.711 175.649 176.300 0.100 0.000 1.058 81 M CA -0.231 55.180 55.300 0.184 0.000 0.991 81 M CB 1.159 33.882 32.600 0.206 0.000 1.474 81 M HN 0.597 nan 8.290 nan 0.000 0.419 82 Q N 2.909 122.761 119.800 0.086 0.000 2.331 82 Q HA 0.492 4.832 4.340 0.000 0.000 0.257 82 Q C -0.080 175.947 176.000 0.044 0.000 0.957 82 Q CA -0.083 55.742 55.803 0.038 0.000 0.923 82 Q CB 1.248 29.990 28.738 0.005 0.000 1.212 82 Q HN 0.947 nan 8.270 nan 0.000 0.443 83 G N 4.036 112.869 108.800 0.054 0.000 3.115 83 G HA2 -0.228 3.732 3.960 0.000 0.000 0.291 83 G HA3 -0.228 3.732 3.960 0.000 0.000 0.291 83 G C -0.434 174.477 174.900 0.018 0.000 1.012 83 G CA 0.090 45.233 45.100 0.071 0.000 0.929 83 G HN 0.783 nan 8.290 nan 0.000 0.413 84 R N 1.078 121.508 120.500 -0.115 0.000 2.602 84 R HA 0.857 5.198 4.340 0.000 0.000 0.237 84 R C -0.523 175.512 176.300 -0.443 0.000 1.219 84 R CA -0.813 55.012 56.100 -0.459 0.000 1.121 84 R CB 0.722 30.781 30.300 -0.402 0.000 1.408 84 R HN 0.323 nan 8.270 nan 0.000 0.559 85 F N -0.497 119.284 119.950 -0.282 0.000 2.450 85 F HA 0.415 4.943 4.527 0.000 0.000 0.332 85 F C -0.102 175.489 175.800 -0.348 0.000 1.093 85 F CA -0.857 56.953 58.000 -0.317 0.000 1.003 85 F CB 1.217 39.710 39.000 -0.845 0.000 1.151 85 F HN 0.459 nan 8.300 nan 0.000 0.474 86 H N 1.069 120.151 119.070 0.021 0.000 2.731 86 H HA 0.384 4.940 4.556 0.000 0.000 0.368 86 H C 0.866 176.090 175.328 -0.173 0.000 1.168 86 H CA -0.908 54.985 56.048 -0.258 0.000 1.181 86 H CB 1.786 30.963 29.762 -0.976 0.000 1.743 86 H HN 0.712 nan 8.280 nan 0.000 0.547 87 M N 0.998 120.592 119.600 -0.011 0.000 2.067 87 M HA -0.159 4.321 4.480 0.000 0.000 0.260 87 M C 1.474 177.778 176.300 0.007 0.000 1.069 87 M CA 1.706 57.016 55.300 0.018 0.000 1.117 87 M CB -0.200 32.430 32.600 0.051 0.000 1.334 87 M HN 0.894 nan 8.290 nan 0.000 0.407 88 Y N 0.938 121.306 120.300 0.113 0.000 2.639 88 Y HA -0.176 4.374 4.550 0.000 0.000 0.289 88 Y C 1.240 177.138 175.900 -0.003 0.000 1.155 88 Y CA 1.092 59.217 58.100 0.041 0.000 1.379 88 Y CB -1.230 37.244 38.460 0.023 0.000 0.967 88 Y HN 0.438 nan 8.280 nan 0.000 0.569 89 E N -0.186 119.972 120.200 -0.070 0.000 2.501 89 E HA 0.373 4.723 4.350 0.000 0.000 0.201 89 E C 1.483 177.926 176.600 -0.261 0.000 1.016 89 E CA 0.259 56.614 56.400 -0.077 0.000 0.920 89 E CB 0.633 30.292 29.700 -0.069 0.000 1.023 89 E HN 0.546 nan 8.360 nan 0.000 0.474 90 G N 1.108 109.776 108.800 -0.220 0.000 2.238 90 G HA2 -0.257 3.704 3.960 0.000 0.000 0.217 90 G HA3 -0.257 3.704 3.960 0.000 0.000 0.217 90 G C -0.241 174.455 174.900 -0.340 0.000 0.996 90 G CA -0.410 44.520 45.100 -0.283 0.000 0.632 90 G HN 0.216 nan 8.290 nan 0.000 0.503 91 Y N 3.240 123.417 120.300 -0.205 0.000 2.569 91 Y HA 0.395 4.945 4.550 0.000 0.000 0.332 91 Y C -1.367 174.314 175.900 -0.365 0.000 1.120 91 Y CA -1.546 56.358 58.100 -0.327 0.000 1.416 91 Y CB 0.345 38.614 38.460 -0.319 0.000 1.210 91 Y HN 0.064 nan 8.280 nan 0.000 0.528 92 P HA 0.047 nan 4.420 nan 0.000 0.272 92 P C 0.669 177.686 177.300 -0.472 0.000 1.223 92 P CA -0.160 62.652 63.100 -0.481 0.000 0.784 92 P CB 1.082 32.240 31.700 -0.903 0.000 0.923 93 L N 0.647 121.728 121.223 -0.237 0.000 2.349 93 L HA -0.112 4.228 4.340 0.000 0.000 0.220 93 L C 1.946 178.784 176.870 -0.053 0.000 1.130 93 L CA 1.125 55.897 54.840 -0.112 0.000 0.791 93 L CB -0.689 41.363 42.059 -0.012 0.000 0.918 93 L HN 0.607 nan 8.230 nan 0.000 0.444 94 W N -0.902 120.410 121.300 0.020 0.000 3.345 94 W HA 0.126 4.786 4.660 0.000 0.000 0.282 94 W C 1.309 177.903 176.519 0.125 0.000 1.302 94 W CA -0.278 57.112 57.345 0.075 0.000 1.724 94 W CB -0.474 29.043 29.460 0.095 0.000 1.104 94 W HN 0.125 nan 8.180 nan 0.000 0.694 95 K N 0.337 120.599 120.400 -0.231 0.000 2.367 95 K HA 0.022 4.342 4.320 0.000 0.000 0.198 95 K C 2.061 178.432 176.600 -0.381 0.000 1.132 95 K CA 0.292 56.394 56.287 -0.308 0.000 0.941 95 K CB 0.174 32.325 32.500 -0.581 0.000 1.052 95 K HN -0.129 nan 8.250 nan 0.000 0.507 96 V N 1.884 121.623 119.914 -0.292 0.000 2.255 96 V HA -0.236 3.884 4.120 0.000 0.000 0.247 96 V C 1.736 177.810 176.094 -0.034 0.000 1.051 96 V CA 2.346 64.567 62.300 -0.131 0.000 1.018 96 V CB -0.564 31.205 31.823 -0.091 0.000 0.641 96 V HN 0.382 nan 8.190 nan 0.000 0.445 97 T N -0.683 113.837 114.554 -0.057 0.000 3.169 97 T HA 0.061 4.411 4.350 0.000 0.000 0.250 97 T C 1.346 175.976 174.700 -0.117 0.000 1.111 97 T CA 0.221 62.268 62.100 -0.088 0.000 1.010 97 T CB -0.338 68.484 68.868 -0.076 0.000 0.984 97 T HN 0.392 nan 8.240 nan 0.000 0.537 98 F N 3.397 123.194 119.950 -0.255 0.000 2.091 98 F HA -0.028 4.500 4.527 0.000 0.000 0.299 98 F C -1.096 174.400 175.800 -0.508 0.000 1.103 98 F CA 0.745 58.538 58.000 -0.345 0.000 1.228 98 F CB -1.255 37.401 39.000 -0.575 0.000 0.984 98 F HN 0.109 nan 8.300 nan 0.000 0.477 99 P HA -0.223 nan 4.420 nan 0.000 0.214 99 P C 2.077 178.647 177.300 -1.217 0.000 1.169 99 P CA 2.625 65.016 63.100 -1.181 0.000 0.908 99 P CB -0.175 30.960 31.700 -0.941 0.000 0.791 100 V N -0.124 119.346 119.914 -0.740 0.000 2.428 100 V HA -0.294 3.826 4.120 0.000 0.000 0.255 100 V C 2.427 178.291 176.094 -0.383 0.000 1.080 100 V CA 1.831 63.879 62.300 -0.420 0.000 1.083 100 V CB -1.061 30.619 31.823 -0.238 0.000 0.665 100 V HN 0.114 nan 8.190 nan 0.000 0.461 101 R N -0.427 119.748 120.500 -0.541 0.000 2.075 101 R HA 0.013 4.353 4.340 0.000 0.000 0.226 101 R C 2.348 178.389 176.300 -0.432 0.000 1.114 101 R CA 1.350 57.068 56.100 -0.637 0.000 0.972 101 R CB -1.135 28.519 30.300 -1.077 0.000 0.869 101 R HN 0.511 nan 8.270 nan 0.000 0.437 102 V N 0.841 120.428 119.914 -0.545 0.000 2.427 102 V HA -0.173 3.947 4.120 0.000 0.000 0.248 102 V C 1.862 177.951 176.094 -0.009 0.000 1.051 102 V CA 1.509 63.615 62.300 -0.324 0.000 1.048 102 V CB -0.437 31.107 31.823 -0.465 0.000 0.666 102 V HN 0.022 nan 8.190 nan 0.000 0.456 103 F N 0.862 120.741 119.950 -0.118 0.000 2.216 103 F HA -0.046 4.481 4.527 0.000 0.000 0.300 103 F C 2.370 178.161 175.800 -0.016 0.000 1.085 103 F CA 1.616 59.578 58.000 -0.063 0.000 1.326 103 F CB -1.572 37.375 39.000 -0.088 0.000 1.027 103 F HN 0.492 nan 8.300 nan 0.000 0.497 104 H N 0.526 119.631 119.070 0.057 0.000 2.256 104 H HA -0.102 4.454 4.556 0.000 0.000 0.299 104 H C 2.104 177.462 175.328 0.049 0.000 1.071 104 H CA 1.951 58.009 56.048 0.018 0.000 1.280 104 H CB -0.698 29.034 29.762 -0.051 0.000 1.370 104 H HN 0.198 nan 8.280 nan 0.000 0.490 105 L N -0.331 120.757 121.223 -0.224 0.000 2.187 105 L HA -0.147 4.193 4.340 0.000 0.000 0.213 105 L C 2.308 179.134 176.870 -0.073 0.000 1.100 105 L CA 0.533 55.230 54.840 -0.240 0.000 0.765 105 L CB -0.406 41.575 42.059 -0.131 0.000 0.904 105 L HN 0.258 nan 8.230 nan 0.000 0.437 106 L N -0.288 120.949 121.223 0.024 0.000 2.362 106 L HA -0.045 4.295 4.340 0.000 0.000 0.219 106 L C 1.651 178.552 176.870 0.051 0.000 1.134 106 L CA 1.741 56.630 54.840 0.083 0.000 0.807 106 L CB -0.496 41.662 42.059 0.165 0.000 0.927 106 L HN 0.422 nan 8.230 nan 0.000 0.447 107 G N -2.537 106.280 108.800 0.027 0.000 2.255 107 G HA2 -0.208 3.752 3.960 0.000 0.000 0.196 107 G HA3 -0.208 3.752 3.960 0.000 0.000 0.196 107 G C 0.357 175.286 174.900 0.049 0.000 0.998 107 G CA -0.046 45.073 45.100 0.032 0.000 0.656 107 G HN 0.052 nan 8.290 nan 0.000 0.490 108 V N 2.310 122.253 119.914 0.048 0.000 3.061 108 V HA 0.348 4.469 4.120 0.000 0.000 0.306 108 V C 1.223 177.356 176.094 0.064 0.000 1.118 108 V CA 1.802 64.115 62.300 0.021 0.000 1.231 108 V CB 1.298 33.120 31.823 -0.002 0.000 0.956 108 V HN 0.670 nan 8.190 nan 0.000 0.499 109 D N -0.224 120.191 120.400 0.026 0.000 2.530 109 D HA 0.124 4.764 4.640 0.000 0.000 0.253 109 D C 0.011 176.317 176.300 0.009 0.000 1.338 109 D CA -0.021 53.997 54.000 0.030 0.000 0.806 109 D CB 0.653 41.475 40.800 0.037 0.000 1.160 109 D HN 0.514 nan 8.370 nan 0.000 0.514 110 T N 0.528 115.076 114.554 -0.011 0.000 2.982 110 T HA 0.535 4.885 4.350 0.000 0.000 0.321 110 T C -1.790 172.862 174.700 -0.079 0.000 1.229 110 T CA -0.636 61.454 62.100 -0.016 0.000 1.044 110 T CB 2.176 71.062 68.868 0.031 0.000 1.184 110 T HN 0.122 nan 8.240 nan 0.000 0.477 111 L N 3.251 124.397 121.223 -0.129 0.000 2.439 111 L HA 0.835 5.175 4.340 0.000 0.000 0.270 111 L C -1.125 175.509 176.870 -0.393 0.000 0.972 111 L CA -0.727 53.995 54.840 -0.196 0.000 0.836 111 L CB 1.723 43.706 42.059 -0.127 0.000 1.255 111 L HN 0.519 nan 8.230 nan 0.000 0.404 112 V N 7.139 126.755 119.914 -0.496 0.000 2.293 112 V HA 0.618 4.738 4.120 0.000 0.000 0.275 112 V C -0.740 175.053 176.094 -0.503 0.000 1.021 112 V CA -0.303 61.487 62.300 -0.849 0.000 0.815 112 V CB 1.545 32.804 31.823 -0.940 0.000 1.025 112 V HN 0.679 nan 8.190 nan 0.000 0.448 113 V N 4.307 123.947 119.914 -0.457 0.000 2.439 113 V HA 0.902 5.022 4.120 0.000 0.000 0.282 113 V C 0.245 176.170 176.094 -0.282 0.000 1.039 113 V CA 0.328 62.456 62.300 -0.286 0.000 0.913 113 V CB 0.963 32.656 31.823 -0.216 0.000 0.983 113 V HN 0.999 nan 8.190 nan 0.000 0.460 114 T N 1.874 116.329 114.554 -0.165 0.000 2.916 114 T HA 0.734 5.084 4.350 0.000 0.000 0.292 114 T C -0.683 173.987 174.700 -0.049 0.000 1.055 114 T CA -0.662 61.387 62.100 -0.084 0.000 1.009 114 T CB 2.053 70.936 68.868 0.026 0.000 1.118 114 T HN 1.241 nan 8.240 nan 0.000 0.497 115 N N -0.300 118.396 118.700 -0.006 0.000 2.961 115 N HA 0.489 5.229 4.740 0.000 0.000 0.245 115 N C -1.638 173.936 175.510 0.107 0.000 1.404 115 N CA -1.137 51.940 53.050 0.045 0.000 0.880 115 N CB 1.687 40.173 38.487 -0.002 0.000 1.461 115 N HN 0.972 nan 8.380 nan 0.000 0.510 116 A N 0.059 122.972 122.820 0.156 0.000 2.312 116 A HA 0.905 5.226 4.320 0.000 0.000 0.326 116 A C -0.464 177.238 177.584 0.196 0.000 1.172 116 A CA -0.130 52.005 52.037 0.162 0.000 0.821 116 A CB 0.977 20.078 19.000 0.168 0.000 1.166 116 A HN 1.071 nan 8.150 nan 0.000 0.493 117 A N 0.777 123.704 122.820 0.179 0.000 2.594 117 A HA 0.834 5.154 4.320 0.000 0.000 0.291 117 A C 0.114 177.744 177.584 0.075 0.000 1.105 117 A CA -0.112 52.031 52.037 0.175 0.000 0.694 117 A CB 0.911 20.108 19.000 0.329 0.000 1.291 117 A HN 1.892 nan 8.150 nan 0.000 0.410 118 G N -0.612 108.173 108.800 -0.024 0.000 2.448 118 G HA2 0.530 4.490 3.960 0.000 0.000 0.285 118 G HA3 0.530 4.490 3.960 0.000 0.000 0.285 118 G C 0.273 175.163 174.900 -0.016 0.000 1.176 118 G CA 0.106 45.164 45.100 -0.071 0.000 0.852 118 G HN 1.339 nan 8.290 nan 0.000 0.530 119 G N -0.064 108.741 108.800 0.008 0.000 2.320 119 G HA2 0.453 4.413 3.960 0.000 0.000 0.300 119 G HA3 0.453 4.413 3.960 0.000 0.000 0.300 119 G C 0.567 175.413 174.900 -0.090 0.000 1.126 119 G CA -0.490 44.627 45.100 0.028 0.000 0.896 119 G HN 0.471 nan 8.290 nan 0.000 0.436 120 L N 2.264 123.359 121.223 -0.212 0.000 2.433 120 L HA 0.208 4.548 4.340 0.000 0.000 0.200 120 L C 1.401 178.115 176.870 -0.260 0.000 1.059 120 L CA -0.244 54.473 54.840 -0.204 0.000 0.835 120 L CB -0.040 41.898 42.059 -0.202 0.000 1.076 120 L HN 0.438 nan 8.230 nan 0.000 0.481 121 N N 1.475 119.874 118.700 -0.503 0.000 2.440 121 N HA -0.012 4.728 4.740 0.000 0.000 0.265 121 N C -1.935 173.440 175.510 -0.224 0.000 1.239 121 N CA -0.959 51.805 53.050 -0.477 0.000 0.909 121 N CB 1.693 39.630 38.487 -0.916 0.000 1.066 121 N HN -0.101 nan 8.380 nan 0.000 0.474 122 P HA -0.073 nan 4.420 nan 0.000 0.218 122 P C 0.774 178.121 177.300 0.079 0.000 1.149 122 P CA 1.216 64.317 63.100 0.002 0.000 0.817 122 P CB 0.360 32.056 31.700 -0.008 0.000 0.785 123 K N -1.564 118.903 120.400 0.110 0.000 2.281 123 K HA -0.040 4.280 4.320 0.000 0.000 0.203 123 K C 0.530 177.316 176.600 0.309 0.000 1.046 123 K CA 0.642 57.039 56.287 0.183 0.000 0.938 123 K CB -0.976 31.640 32.500 0.193 0.000 0.737 123 K HN 0.139 nan 8.250 nan 0.000 0.458 124 F N 1.604 121.549 119.950 -0.008 0.000 2.410 124 F HA 0.168 4.695 4.527 0.000 0.000 0.334 124 F C 0.812 176.610 175.800 -0.004 0.000 1.134 124 F CA -1.392 56.603 58.000 -0.009 0.000 1.227 124 F CB 0.433 39.428 39.000 -0.009 0.000 1.194 124 F HN 0.051 nan 8.300 nan 0.000 0.571 125 E N 0.700 120.979 120.200 0.132 0.000 2.340 125 E HA 0.520 4.871 4.350 0.000 0.000 0.273 125 E C -1.043 175.589 176.600 0.054 0.000 0.891 125 E CA -1.172 55.274 56.400 0.076 0.000 0.757 125 E CB 2.269 31.992 29.700 0.039 0.000 1.231 125 E HN 0.433 nan 8.360 nan 0.000 0.439 126 V N 1.630 121.576 119.914 0.054 0.000 3.367 126 V HA 0.298 4.418 4.120 0.000 0.000 0.304 126 V C 1.171 177.279 176.094 0.023 0.000 1.131 126 V CA 1.769 64.096 62.300 0.045 0.000 1.233 126 V CB 0.141 31.990 31.823 0.044 0.000 1.021 126 V HN 1.206 nan 8.190 nan 0.000 0.497 127 G N 2.668 111.481 108.800 0.021 0.000 2.363 127 G HA2 -0.264 3.696 3.960 0.000 0.000 0.238 127 G HA3 -0.264 3.696 3.960 0.000 0.000 0.238 127 G C 0.211 175.099 174.900 -0.021 0.000 1.062 127 G CA 0.420 45.526 45.100 0.011 0.000 0.629 127 G HN 1.069 nan 8.290 nan 0.000 0.514 128 D N 0.615 120.982 120.400 -0.055 0.000 2.383 128 D HA 0.311 4.951 4.640 0.000 0.000 0.233 128 D C 0.776 176.971 176.300 -0.175 0.000 1.233 128 D CA 0.641 54.549 54.000 -0.155 0.000 0.881 128 D CB 0.322 40.970 40.800 -0.254 0.000 1.212 128 D HN 0.398 nan 8.370 nan 0.000 0.467 129 I N 1.766 122.160 120.570 -0.293 0.000 2.498 129 I HA 0.249 4.419 4.170 0.000 0.000 0.290 129 I C -0.157 175.764 176.117 -0.327 0.000 1.032 129 I CA -0.564 60.575 61.300 -0.267 0.000 1.073 129 I CB 1.862 39.630 38.000 -0.386 0.000 1.251 129 I HN 0.135 nan 8.210 nan 0.000 0.426 130 M N 6.592 126.105 119.600 -0.146 0.000 2.456 130 M HA 0.454 4.934 4.480 0.000 0.000 0.324 130 M C -1.732 174.626 176.300 0.097 0.000 1.124 130 M CA -0.809 54.436 55.300 -0.092 0.000 0.959 130 M CB 1.991 34.628 32.600 0.061 0.000 1.692 130 M HN 0.375 nan 8.290 nan 0.000 0.444 131 L N 6.032 127.314 121.223 0.098 0.000 2.260 131 L HA 0.405 4.745 4.340 0.000 0.000 0.289 131 L C -0.580 176.326 176.870 0.061 0.000 1.057 131 L CA -0.297 54.661 54.840 0.198 0.000 0.811 131 L CB 1.059 43.221 42.059 0.171 0.000 1.184 131 L HN 0.775 nan 8.230 nan 0.000 0.429 132 I N 5.341 125.873 120.570 -0.063 0.000 2.406 132 I HA 0.036 4.206 4.170 0.000 0.000 0.293 132 I C 1.502 177.386 176.117 -0.388 0.000 1.101 132 I CA 0.244 61.363 61.300 -0.302 0.000 1.334 132 I CB 0.377 38.025 38.000 -0.587 0.000 1.421 132 I HN 0.636 nan 8.210 nan 0.000 0.513 133 R N 3.733 124.116 120.500 -0.195 0.000 2.223 133 R HA 0.100 4.440 4.340 0.000 0.000 0.198 133 R C -0.005 176.270 176.300 -0.041 0.000 0.984 133 R CA 0.659 56.723 56.100 -0.061 0.000 1.018 133 R CB 0.479 30.788 30.300 0.016 0.000 0.945 133 R HN 0.641 nan 8.270 nan 0.000 0.479 134 D N -1.029 119.279 120.400 -0.154 0.000 2.671 134 D HA 0.172 4.812 4.640 0.000 0.000 0.273 134 D C -1.667 174.651 176.300 0.031 0.000 1.264 134 D CA -0.435 53.564 54.000 -0.002 0.000 0.788 134 D CB 1.517 42.340 40.800 0.038 0.000 1.324 134 D HN 0.349 nan 8.370 nan 0.000 0.424 135 H N -1.058 118.127 119.070 0.191 0.000 3.016 135 H HA 0.644 5.201 4.556 0.000 0.000 0.362 135 H C -1.033 174.352 175.328 0.096 0.000 1.233 135 H CA -0.956 55.202 56.048 0.183 0.000 1.124 135 H CB 1.458 31.412 29.762 0.320 0.000 1.850 135 H HN 0.208 nan 8.280 nan 0.000 0.549 136 I N 2.598 123.326 120.570 0.265 0.000 2.411 136 I HA 0.058 4.228 4.170 0.000 0.000 0.284 136 I C -0.078 175.963 176.117 -0.128 0.000 1.012 136 I CA -0.728 60.609 61.300 0.060 0.000 1.119 136 I CB 1.393 39.390 38.000 -0.004 0.000 1.261 136 I HN 0.525 nan 8.210 nan 0.000 0.448 137 N N 6.533 125.072 118.700 -0.268 0.000 3.178 137 N HA 0.076 4.816 4.740 0.000 0.000 0.300 137 N C 0.949 176.143 175.510 -0.526 0.000 1.242 137 N CA -0.143 52.681 53.050 -0.377 0.000 1.192 137 N CB 0.325 38.630 38.487 -0.304 0.000 1.463 137 N HN 0.502 nan 8.380 nan 0.000 0.539 138 L N 2.802 123.796 121.223 -0.381 0.000 1.978 138 L HA -0.131 4.209 4.340 0.000 0.000 0.218 138 L C -0.478 176.324 176.870 -0.113 0.000 1.075 138 L CA 2.078 56.768 54.840 -0.251 0.000 0.767 138 L CB -1.769 40.236 42.059 -0.090 0.000 0.890 138 L HN 0.354 nan 8.230 nan 0.000 0.434 139 P HA -0.139 nan 4.420 nan 0.000 0.216 139 P C 1.636 178.942 177.300 0.010 0.000 1.153 139 P CA 1.795 64.891 63.100 -0.007 0.000 0.858 139 P CB -0.276 31.419 31.700 -0.009 0.000 0.789 140 G N -1.196 107.576 108.800 -0.048 0.000 2.469 140 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 140 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 140 G C 1.225 176.209 174.900 0.141 0.000 1.136 140 G CA 0.517 45.619 45.100 0.004 0.000 0.759 140 G HN 0.117 nan 8.290 nan 0.000 0.562 141 F N 2.130 122.101 119.950 0.036 0.000 2.126 141 F HA -0.036 4.491 4.527 0.000 0.000 0.299 141 F C 2.724 178.543 175.800 0.032 0.000 1.096 141 F CA 1.046 59.068 58.000 0.037 0.000 1.255 141 F CB -0.703 38.317 39.000 0.033 0.000 0.997 141 F HN 0.084 nan 8.300 nan 0.000 0.479 142 S N -0.798 115.039 115.700 0.228 0.000 2.710 142 S HA 0.380 4.850 4.470 0.000 0.000 0.224 142 S C 1.754 176.412 174.600 0.098 0.000 0.948 142 S CA 0.515 58.795 58.200 0.133 0.000 0.949 142 S CB -0.232 63.031 63.200 0.106 0.000 0.778 142 S HN 0.608 nan 8.310 nan 0.000 0.498 143 G N 1.291 110.154 108.800 0.104 0.000 2.232 143 G HA2 -0.209 3.751 3.960 0.000 0.000 0.226 143 G HA3 -0.209 3.751 3.960 0.000 0.000 0.226 143 G C 0.172 175.112 174.900 0.066 0.000 0.996 143 G CA -0.522 44.625 45.100 0.080 0.000 0.626 143 G HN 0.399 nan 8.290 nan 0.000 0.509 144 Q N 1.411 121.247 119.800 0.059 0.000 3.159 144 Q HA 0.216 4.556 4.340 0.000 0.000 0.280 144 Q C -0.158 175.858 176.000 0.027 0.000 1.403 144 Q CA 0.089 55.917 55.803 0.042 0.000 0.957 144 Q CB -0.176 28.581 28.738 0.031 0.000 1.729 144 Q HN 0.564 nan 8.270 nan 0.000 0.551 145 N N 1.771 120.492 118.700 0.035 0.000 2.342 145 N HA 0.243 4.983 4.740 0.000 0.000 0.293 145 N C -1.990 173.535 175.510 0.024 0.000 1.026 145 N CA -1.824 51.237 53.050 0.018 0.000 0.857 145 N CB 2.012 40.515 38.487 0.026 0.000 1.256 145 N HN 0.000 nan 8.380 nan 0.000 0.484 146 P HA -0.055 nan 4.420 nan 0.000 0.228 146 P C 0.808 178.113 177.300 0.009 0.000 1.151 146 P CA 0.449 63.567 63.100 0.031 0.000 0.770 146 P CB 0.532 32.231 31.700 -0.001 0.000 0.786 147 L N -0.729 120.462 121.223 -0.053 0.000 2.653 147 L HA 0.219 4.559 4.340 0.000 0.000 0.231 147 L C 1.322 178.146 176.870 -0.077 0.000 1.153 147 L CA -0.372 54.392 54.840 -0.127 0.000 0.933 147 L CB -1.527 40.382 42.059 -0.251 0.000 1.175 147 L HN -0.036 nan 8.230 nan 0.000 0.473 148 R N 0.648 121.142 120.500 -0.011 0.000 2.442 148 R HA 0.437 4.777 4.340 0.000 0.000 0.291 148 R C 0.371 176.665 176.300 -0.011 0.000 1.069 148 R CA 0.939 57.039 56.100 0.000 0.000 1.022 148 R CB 0.378 30.701 30.300 0.039 0.000 0.976 148 R HN 0.334 nan 8.270 nan 0.000 0.443 149 G N 3.982 112.766 108.800 -0.027 0.000 2.384 149 G HA2 -0.135 3.825 3.960 0.000 0.000 0.668 149 G HA3 -0.135 3.825 3.960 0.000 0.000 0.668 149 G C -2.804 172.072 174.900 -0.041 0.000 1.280 149 G CA -1.165 43.913 45.100 -0.037 0.000 0.992 149 G HN 0.522 nan 8.290 nan 0.000 0.512 150 P HA 0.323 nan 4.420 nan 0.000 0.268 150 P C -0.212 177.086 177.300 -0.004 0.000 1.205 150 P CA -0.110 62.976 63.100 -0.023 0.000 0.771 150 P CB 0.605 32.297 31.700 -0.013 0.000 0.858 151 N N 1.796 120.488 118.700 -0.013 0.000 2.498 151 N HA 0.156 4.896 4.740 0.000 0.000 0.287 151 N C -1.014 174.542 175.510 0.077 0.000 1.097 151 N CA -0.330 52.738 53.050 0.029 0.000 0.973 151 N CB 0.589 39.062 38.487 -0.024 0.000 1.153 151 N HN 0.166 nan 8.380 nan 0.000 0.472 152 D N 1.736 122.240 120.400 0.174 0.000 2.392 152 D HA 0.139 4.779 4.640 0.000 0.000 0.228 152 D C -0.004 176.333 176.300 0.061 0.000 1.074 152 D CA -0.205 53.859 54.000 0.107 0.000 0.838 152 D CB 0.854 41.764 40.800 0.185 0.000 1.067 152 D HN 0.509 nan 8.370 nan 0.000 0.511 153 E N 2.479 122.662 120.200 -0.028 0.000 2.515 153 E HA -0.062 4.288 4.350 0.000 0.000 0.201 153 E C 1.128 177.661 176.600 -0.112 0.000 1.071 153 E CA 0.288 56.659 56.400 -0.048 0.000 0.880 153 E CB 0.349 30.019 29.700 -0.050 0.000 0.828 153 E HN 0.465 nan 8.360 nan 0.000 0.540 154 R N -0.988 119.381 120.500 -0.218 0.000 2.246 154 R HA 0.075 4.415 4.340 0.000 0.000 0.199 154 R C 1.195 177.379 176.300 -0.193 0.000 0.984 154 R CA 0.352 56.247 56.100 -0.343 0.000 1.015 154 R CB 0.237 30.044 30.300 -0.822 0.000 0.930 154 R HN 0.063 nan 8.270 nan 0.000 0.475 155 F N -0.969 118.976 119.950 -0.009 0.000 2.490 155 F HA 0.377 4.905 4.527 0.000 0.000 0.280 155 F C 1.299 176.860 175.800 -0.398 0.000 1.030 155 F CA 0.517 58.472 58.000 -0.075 0.000 1.367 155 F CB 0.285 39.275 39.000 -0.016 0.000 1.131 155 F HN -0.003 nan 8.300 nan 0.000 0.632 156 G N -1.079 107.553 108.800 -0.279 0.000 2.427 156 G HA2 0.227 4.187 3.960 0.000 0.000 0.306 156 G HA3 0.227 4.187 3.960 0.000 0.000 0.306 156 G C -1.871 172.976 174.900 -0.088 0.000 1.280 156 G CA -0.819 43.974 45.100 -0.512 0.000 0.837 156 G HN -0.203 nan 8.290 nan 0.000 0.482 157 D N -0.063 120.353 120.400 0.028 0.000 2.312 157 D HA 0.329 4.969 4.640 0.000 0.000 0.248 157 D C 1.247 177.643 176.300 0.160 0.000 1.086 157 D CA -0.635 53.433 54.000 0.114 0.000 0.948 157 D CB 1.850 42.706 40.800 0.094 0.000 1.162 157 D HN 0.259 nan 8.370 nan 0.000 0.446 158 R N 0.908 121.383 120.500 -0.041 0.000 2.082 158 R HA -0.095 4.246 4.340 0.000 0.000 0.234 158 R C 0.382 176.395 176.300 -0.479 0.000 1.136 158 R CA 1.171 57.055 56.100 -0.361 0.000 0.935 158 R CB -0.280 29.624 30.300 -0.660 0.000 0.842 158 R HN 0.379 nan 8.270 nan 0.000 0.430 159 F N 2.764 122.750 119.950 0.060 0.000 2.387 159 F HA 0.331 4.858 4.527 0.000 0.000 0.332 159 F C -1.701 174.135 175.800 0.059 0.000 1.174 159 F CA -2.282 55.745 58.000 0.046 0.000 1.257 159 F CB 0.451 39.473 39.000 0.036 0.000 1.569 159 F HN -0.002 nan 8.300 nan 0.000 0.554 160 P HA 0.301 nan 4.420 nan 0.000 0.275 160 P C -0.444 176.928 177.300 0.120 0.000 1.227 160 P CA -0.200 62.989 63.100 0.149 0.000 0.781 160 P CB 1.508 33.312 31.700 0.174 0.000 0.906 161 A N 3.743 126.617 122.820 0.090 0.000 2.388 161 A HA 0.396 4.716 4.320 0.000 0.000 0.257 161 A C 0.992 178.598 177.584 0.036 0.000 1.095 161 A CA -0.300 51.777 52.037 0.066 0.000 0.791 161 A CB 0.109 19.138 19.000 0.048 0.000 1.029 161 A HN 0.508 nan 8.150 nan 0.000 0.489 162 M N 1.584 121.201 119.600 0.028 0.000 2.313 162 M HA 0.057 4.537 4.480 0.000 0.000 0.273 162 M C 1.721 177.991 176.300 -0.051 0.000 1.049 162 M CA 0.432 55.718 55.300 -0.022 0.000 1.004 162 M CB -0.880 31.720 32.600 0.000 0.000 1.461 162 M HN 0.776 nan 8.290 nan 0.000 0.514 163 S N 1.956 117.651 115.700 -0.008 0.000 2.399 163 S HA -0.169 4.301 4.470 0.000 0.000 0.235 163 S C 0.559 175.151 174.600 -0.013 0.000 1.063 163 S CA 1.930 60.129 58.200 -0.001 0.000 1.070 163 S CB -0.709 62.500 63.200 0.014 0.000 0.904 163 S HN 0.692 nan 8.310 nan 0.000 0.456 164 D N -1.135 119.250 120.400 -0.025 0.000 2.252 164 D HA 0.759 5.400 4.640 0.000 0.000 0.245 164 D C 0.049 176.292 176.300 -0.096 0.000 1.009 164 D CA -0.392 53.589 54.000 -0.030 0.000 0.870 164 D CB 1.684 42.476 40.800 -0.014 0.000 1.251 164 D HN 0.090 nan 8.370 nan 0.000 0.460 165 A N 0.334 123.068 122.820 -0.144 0.000 1.544 165 A HA 0.057 4.377 4.320 0.000 0.000 0.206 165 A C -0.663 176.711 177.584 -0.351 0.000 1.895 165 A CA -0.394 51.449 52.037 -0.324 0.000 1.585 165 A CB -0.572 18.081 19.000 -0.578 0.000 1.485 165 A HN 0.377 nan 8.150 nan 0.000 0.342 166 Y N 2.996 123.291 120.300 -0.008 0.000 2.636 166 Y HA 0.434 4.985 4.550 0.000 0.000 0.341 166 Y C 0.276 176.201 175.900 0.042 0.000 1.169 166 Y CA -0.897 57.218 58.100 0.024 0.000 1.498 166 Y CB -0.505 37.963 38.460 0.014 0.000 1.362 166 Y HN 0.461 nan 8.280 nan 0.000 0.494 167 D N 2.381 122.865 120.400 0.139 0.000 2.877 167 D HA -0.154 4.486 4.640 0.000 0.000 0.220 167 D C 1.580 177.928 176.300 0.079 0.000 1.089 167 D CA 0.479 54.535 54.000 0.094 0.000 0.811 167 D CB 0.845 41.705 40.800 0.100 0.000 1.162 167 D HN 0.453 nan 8.370 nan 0.000 0.513 168 R N 2.684 123.214 120.500 0.050 0.000 2.062 168 R HA -0.135 4.205 4.340 0.000 0.000 0.231 168 R C 1.605 177.912 176.300 0.011 0.000 1.136 168 R CA 1.875 57.997 56.100 0.037 0.000 0.948 168 R CB -0.715 29.604 30.300 0.031 0.000 0.845 168 R HN 0.564 nan 8.270 nan 0.000 0.430 169 T N 1.779 116.332 114.554 -0.002 0.000 2.684 169 T HA -0.132 4.218 4.350 0.000 0.000 0.267 169 T C 1.836 176.498 174.700 -0.064 0.000 1.036 169 T CA 1.627 63.714 62.100 -0.021 0.000 1.148 169 T CB -0.107 68.751 68.868 -0.017 0.000 0.863 169 T HN 0.171 nan 8.240 nan 0.000 0.436 170 M N 0.801 120.334 119.600 -0.113 0.000 2.435 170 M HA -0.001 4.479 4.480 0.000 0.000 0.262 170 M C 2.109 178.251 176.300 -0.263 0.000 1.065 170 M CA 1.223 56.344 55.300 -0.298 0.000 1.076 170 M CB -0.865 31.427 32.600 -0.514 0.000 1.403 170 M HN 0.234 nan 8.290 nan 0.000 0.454 171 R N -0.468 119.978 120.500 -0.089 0.000 2.127 171 R HA -0.040 4.300 4.340 0.000 0.000 0.217 171 R C 2.129 178.440 176.300 0.018 0.000 1.074 171 R CA 0.697 56.797 56.100 -0.001 0.000 0.991 171 R CB -0.088 30.245 30.300 0.054 0.000 0.895 171 R HN 0.545 nan 8.270 nan 0.000 0.450 172 Q N 0.593 120.395 119.800 0.003 0.000 2.002 172 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 172 Q C 2.065 178.080 176.000 0.026 0.000 0.988 172 Q CA 1.512 57.326 55.803 0.018 0.000 0.843 172 Q CB -0.208 28.535 28.738 0.009 0.000 0.908 172 Q HN 0.263 nan 8.270 nan 0.000 0.420 173 R N 0.296 120.790 120.500 -0.010 0.000 2.170 173 R HA -0.157 4.183 4.340 0.000 0.000 0.242 173 R C 2.123 178.451 176.300 0.046 0.000 1.145 173 R CA 1.161 57.257 56.100 -0.008 0.000 0.984 173 R CB -0.342 29.911 30.300 -0.077 0.000 0.869 173 R HN 0.248 nan 8.270 nan 0.000 0.455 174 A N 0.904 123.760 122.820 0.061 0.000 1.878 174 A HA 0.006 4.326 4.320 0.000 0.000 0.213 174 A C 2.128 179.911 177.584 0.332 0.000 1.192 174 A CA 0.473 52.650 52.037 0.234 0.000 0.619 174 A CB -0.308 18.834 19.000 0.237 0.000 0.837 174 A HN 0.123 nan 8.150 nan 0.000 0.446 175 L N 0.111 121.443 121.223 0.183 0.000 2.012 175 L HA -0.220 4.120 4.340 0.000 0.000 0.210 175 L C 2.903 179.880 176.870 0.178 0.000 1.073 175 L CA 1.716 56.642 54.840 0.144 0.000 0.748 175 L CB -0.402 41.707 42.059 0.084 0.000 0.891 175 L HN 0.353 nan 8.230 nan 0.000 0.431 176 S N -1.107 114.677 115.700 0.140 0.000 2.348 176 S HA -0.193 4.278 4.470 0.000 0.000 0.221 176 S C 1.967 176.651 174.600 0.142 0.000 1.033 176 S CA 1.871 60.139 58.200 0.113 0.000 1.010 176 S CB -0.506 62.738 63.200 0.072 0.000 0.891 176 S HN 0.422 nan 8.310 nan 0.000 0.442 177 T N 1.208 115.885 114.554 0.205 0.000 2.803 177 T HA -0.141 4.209 4.350 0.000 0.000 0.269 177 T C 1.274 176.115 174.700 0.235 0.000 1.052 177 T CA 0.955 63.200 62.100 0.242 0.000 1.136 177 T CB -0.281 68.801 68.868 0.357 0.000 0.864 177 T HN 0.539 nan 8.240 nan 0.000 0.467 178 W N 1.961 123.273 121.300 0.021 0.000 2.378 178 W HA -0.121 4.539 4.660 0.000 0.000 0.313 178 W C 1.986 178.432 176.519 -0.122 0.000 1.197 178 W CA 1.119 58.340 57.345 -0.208 0.000 1.304 178 W CB -0.129 29.140 29.460 -0.320 0.000 1.148 178 W HN 0.251 nan 8.180 nan 0.000 0.494 179 K N 0.148 120.587 120.400 0.064 0.000 2.147 179 K HA -0.289 4.032 4.320 0.000 0.000 0.205 179 K C 2.090 178.644 176.600 -0.077 0.000 1.049 179 K CA 1.872 58.148 56.287 -0.019 0.000 0.936 179 K CB -0.615 31.911 32.500 0.043 0.000 0.722 179 K HN 0.287 nan 8.250 nan 0.000 0.446 180 Q N 1.048 120.821 119.800 -0.046 0.000 2.084 180 Q HA -0.161 4.180 4.340 0.000 0.000 0.202 180 Q C 1.850 177.780 176.000 -0.117 0.000 0.978 180 Q CA 1.586 57.358 55.803 -0.051 0.000 0.844 180 Q CB -0.074 28.661 28.738 -0.005 0.000 0.898 180 Q HN 0.312 nan 8.270 nan 0.000 0.426 181 M N -0.181 119.296 119.600 -0.205 0.000 2.630 181 M HA 0.095 4.575 4.480 0.000 0.000 0.254 181 M C 1.030 177.128 176.300 -0.337 0.000 1.092 181 M CA 0.775 55.897 55.300 -0.296 0.000 1.087 181 M CB 0.149 32.462 32.600 -0.479 0.000 1.453 181 M HN 0.494 nan 8.290 nan 0.000 0.509 182 G N 1.678 110.297 108.800 -0.301 0.000 2.379 182 G HA2 -0.226 3.734 3.960 0.000 0.000 0.297 182 G HA3 -0.226 3.734 3.960 0.000 0.000 0.297 182 G C -0.149 174.559 174.900 -0.319 0.000 1.004 182 G CA -0.007 44.948 45.100 -0.242 0.000 0.921 182 G HN 0.458 nan 8.290 nan 0.000 0.511 183 E N -0.095 119.749 120.200 -0.594 0.000 2.467 183 E HA 0.010 4.360 4.350 0.000 0.000 0.264 183 E C 0.935 177.386 176.600 -0.249 0.000 1.020 183 E CA 0.091 56.116 56.400 -0.626 0.000 0.945 183 E CB 0.511 29.332 29.700 -1.465 0.000 0.942 183 E HN 0.603 nan 8.360 nan 0.000 0.449 184 Q N 3.763 123.475 119.800 -0.148 0.000 2.323 184 Q HA 0.129 4.469 4.340 0.000 0.000 0.257 184 Q C -0.600 175.434 176.000 0.056 0.000 1.022 184 Q CA -0.109 55.672 55.803 -0.038 0.000 0.919 184 Q CB 0.264 28.977 28.738 -0.042 0.000 1.220 184 Q HN 0.607 nan 8.270 nan 0.000 0.427 185 R N 2.316 122.867 120.500 0.085 0.000 0.951 185 R HA -0.156 4.184 4.340 0.000 0.000 0.431 185 R C -1.611 174.826 176.300 0.229 0.000 1.348 185 R CA 0.300 56.464 56.100 0.106 0.000 0.884 185 R CB -0.324 30.023 30.300 0.078 0.000 2.911 185 R HN 0.835 nan 8.270 nan 0.000 0.519 186 E N 3.181 123.440 120.200 0.097 0.000 2.374 186 E HA 0.305 4.655 4.350 0.000 0.000 0.260 186 E C -0.667 175.766 176.600 -0.279 0.000 1.101 186 E CA -0.552 55.882 56.400 0.057 0.000 0.907 186 E CB 0.778 30.486 29.700 0.014 0.000 1.014 186 E HN 0.409 nan 8.360 nan 0.000 0.427 187 L N 4.737 125.605 121.223 -0.592 0.000 2.536 187 L HA 0.080 4.420 4.340 0.000 0.000 0.282 187 L C -0.324 176.288 176.870 -0.430 0.000 1.174 187 L CA 0.288 54.599 54.840 -0.880 0.000 0.989 187 L CB -0.240 41.266 42.059 -0.921 0.000 1.311 187 L HN 0.471 nan 8.230 nan 0.000 0.455 188 Q N 4.246 123.788 119.800 -0.430 0.000 2.479 188 Q HA 0.089 4.429 4.340 0.000 0.000 0.267 188 Q C -0.184 175.713 176.000 -0.171 0.000 1.071 188 Q CA 0.523 56.115 55.803 -0.352 0.000 0.935 188 Q CB 0.546 28.834 28.738 -0.750 0.000 1.295 188 Q HN 0.762 nan 8.270 nan 0.000 0.476 189 E N -0.978 119.210 120.200 -0.021 0.000 2.343 189 E HA 0.786 5.136 4.350 0.000 0.000 0.278 189 E C -0.675 176.024 176.600 0.166 0.000 0.910 189 E CA -0.898 55.542 56.400 0.066 0.000 0.757 189 E CB 1.969 31.696 29.700 0.044 0.000 1.218 189 E HN 0.643 nan 8.360 nan 0.000 0.435 190 G N 0.840 109.733 108.800 0.155 0.000 2.321 190 G HA2 0.305 4.265 3.960 0.000 0.000 0.296 190 G HA3 0.305 4.265 3.960 0.000 0.000 0.296 190 G C -1.257 173.694 174.900 0.084 0.000 1.287 190 G CA -0.699 44.487 45.100 0.143 0.000 0.846 190 G HN 0.406 nan 8.290 nan 0.000 0.508 191 T N 0.703 115.290 114.554 0.055 0.000 2.780 191 T HA 0.452 4.802 4.350 0.000 0.000 0.294 191 T C -0.968 173.781 174.700 0.081 0.000 0.949 191 T CA 0.223 62.353 62.100 0.050 0.000 1.074 191 T CB 0.900 69.787 68.868 0.032 0.000 0.910 191 T HN 0.481 nan 8.240 nan 0.000 0.501 192 Y N 3.944 124.233 120.300 -0.018 0.000 2.328 192 Y HA 0.551 5.101 4.550 0.000 0.000 0.337 192 Y C -0.386 175.526 175.900 0.020 0.000 1.008 192 Y CA -0.880 57.218 58.100 -0.004 0.000 1.129 192 Y CB 0.902 39.348 38.460 -0.023 0.000 1.185 192 Y HN 0.429 nan 8.280 nan 0.000 0.476 193 V N 9.327 128.932 119.914 -0.515 0.000 2.370 193 V HA 0.355 4.475 4.120 0.000 0.000 0.279 193 V C -0.459 175.335 176.094 -0.500 0.000 1.029 193 V CA -0.744 61.335 62.300 -0.368 0.000 0.870 193 V CB 0.950 32.634 31.823 -0.232 0.000 0.984 193 V HN 0.957 nan 8.190 nan 0.000 0.451 194 M N 7.513 126.972 119.600 -0.236 0.000 2.180 194 M HA 0.603 5.083 4.480 0.000 0.000 0.358 194 M C -1.651 174.597 176.300 -0.087 0.000 1.233 194 M CA -0.009 55.223 55.300 -0.113 0.000 1.114 194 M CB 1.362 33.968 32.600 0.009 0.000 1.594 194 M HN 0.526 nan 8.290 nan 0.000 0.467 195 V N 5.007 124.895 119.914 -0.043 0.000 2.709 195 V HA 0.567 4.688 4.120 0.000 0.000 0.308 195 V C 0.406 176.537 176.094 0.063 0.000 1.062 195 V CA -0.098 62.197 62.300 -0.008 0.000 0.901 195 V CB 1.686 33.490 31.823 -0.031 0.000 1.003 195 V HN 1.107 nan 8.190 nan 0.000 0.425 196 A N 4.024 126.891 122.820 0.078 0.000 1.831 196 A HA 0.358 4.678 4.320 0.000 0.000 0.213 196 A C 1.550 179.240 177.584 0.177 0.000 1.223 196 A CA 0.929 53.048 52.037 0.137 0.000 0.604 196 A CB -1.177 17.884 19.000 0.102 0.000 0.878 196 A HN 1.506 nan 8.150 nan 0.000 0.450 197 G N 0.459 109.324 108.800 0.109 0.000 2.548 197 G HA2 0.063 4.024 3.960 0.000 0.000 0.243 197 G HA3 0.063 4.024 3.960 0.000 0.000 0.243 197 G C -0.904 174.012 174.900 0.028 0.000 0.801 197 G CA 0.215 45.359 45.100 0.074 0.000 0.977 197 G HN 0.384 nan 8.290 nan 0.000 0.363 198 P HA -0.024 nan 4.420 nan 0.000 0.224 198 P C 1.196 178.355 177.300 -0.235 0.000 1.157 198 P CA 0.784 63.677 63.100 -0.344 0.000 0.799 198 P CB 0.026 31.504 31.700 -0.370 0.000 0.809 199 S N -0.148 115.485 115.700 -0.113 0.000 2.596 199 S HA 0.183 4.654 4.470 0.000 0.000 0.260 199 S C 0.069 174.751 174.600 0.138 0.000 1.336 199 S CA -0.391 57.761 58.200 -0.081 0.000 0.993 199 S CB -0.198 62.977 63.200 -0.042 0.000 0.923 199 S HN -0.145 nan 8.310 nan 0.000 0.567 200 F N 0.880 120.789 119.950 -0.069 0.000 2.397 200 F HA 0.460 4.987 4.527 0.000 0.000 0.331 200 F C 0.813 176.593 175.800 -0.033 0.000 1.090 200 F CA -1.668 56.303 58.000 -0.048 0.000 1.065 200 F CB 0.444 39.423 39.000 -0.034 0.000 1.184 200 F HN 0.592 nan 8.300 nan 0.000 0.499 201 E N 0.350 120.619 120.200 0.115 0.000 2.481 201 E HA 0.103 4.454 4.350 0.000 0.000 0.263 201 E C 0.420 177.046 176.600 0.043 0.000 0.992 201 E CA 0.171 56.594 56.400 0.038 0.000 0.938 201 E CB 0.145 29.828 29.700 -0.029 0.000 0.933 201 E HN 0.593 nan 8.360 nan 0.000 0.453 202 T N -1.718 112.854 114.554 0.029 0.000 2.824 202 T HA 0.208 4.559 4.350 0.000 0.000 0.277 202 T C 1.283 175.991 174.700 0.013 0.000 0.975 202 T CA -0.282 61.833 62.100 0.025 0.000 0.966 202 T CB 0.796 69.675 68.868 0.018 0.000 1.054 202 T HN 0.258 nan 8.240 nan 0.000 0.533 203 V N -1.125 118.797 119.914 0.014 0.000 2.809 203 V HA 0.160 4.281 4.120 0.000 0.000 0.256 203 V C 2.749 178.849 176.094 0.009 0.000 1.080 203 V CA 1.257 63.564 62.300 0.012 0.000 1.102 203 V CB -2.002 29.831 31.823 0.017 0.000 0.705 203 V HN 0.995 nan 8.190 nan 0.000 0.475 204 A N 0.288 123.113 122.820 0.009 0.000 1.975 204 A HA 0.003 4.323 4.320 0.000 0.000 0.215 204 A C 2.170 179.755 177.584 0.003 0.000 1.170 204 A CA 1.165 53.206 52.037 0.007 0.000 0.656 204 A CB -0.294 18.711 19.000 0.008 0.000 0.821 204 A HN 0.569 nan 8.150 nan 0.000 0.449 205 E N -0.844 119.358 120.200 0.002 0.000 2.046 205 E HA -0.163 4.187 4.350 0.000 0.000 0.190 205 E C 2.098 178.688 176.600 -0.016 0.000 0.982 205 E CA 1.106 57.504 56.400 -0.003 0.000 0.800 205 E CB -0.378 29.322 29.700 -0.000 0.000 0.756 205 E HN 0.668 nan 8.360 nan 0.000 0.449 206 C N 1.177 120.465 119.300 -0.020 0.000 2.398 206 C HA -0.169 4.291 4.460 0.000 0.000 0.276 206 C C 2.623 177.594 174.990 -0.031 0.000 1.222 206 C CA 1.179 60.176 59.018 -0.035 0.000 1.746 206 C CB -0.698 27.023 27.740 -0.032 0.000 2.039 206 C HN 0.272 nan 8.230 nan 0.000 0.470 207 R N 0.666 121.156 120.500 -0.017 0.000 2.127 207 R HA -0.099 4.241 4.340 0.000 0.000 0.238 207 R C 2.268 178.559 176.300 -0.015 0.000 1.134 207 R CA 1.811 57.902 56.100 -0.014 0.000 0.975 207 R CB -0.714 29.585 30.300 -0.002 0.000 0.865 207 R HN 0.738 nan 8.270 nan 0.000 0.447 208 V N -1.160 118.748 119.914 -0.011 0.000 2.548 208 V HA -0.086 4.035 4.120 0.000 0.000 0.249 208 V C 1.716 177.804 176.094 -0.011 0.000 1.055 208 V CA 1.421 63.718 62.300 -0.005 0.000 1.065 208 V CB -0.400 31.425 31.823 0.004 0.000 0.681 208 V HN 0.202 nan 8.190 nan 0.000 0.462 209 L N 0.618 121.825 121.223 -0.026 0.000 2.056 209 L HA -0.135 4.205 4.340 0.000 0.000 0.207 209 L C 2.978 179.818 176.870 -0.051 0.000 1.078 209 L CA 2.202 57.016 54.840 -0.043 0.000 0.749 209 L CB -0.974 41.043 42.059 -0.070 0.000 0.901 209 L HN 0.477 nan 8.230 nan 0.000 0.433 210 Q N 2.129 121.897 119.800 -0.054 0.000 2.030 210 Q HA -0.275 4.065 4.340 0.000 0.000 0.204 210 Q C 2.050 178.025 176.000 -0.041 0.000 0.986 210 Q CA 2.485 58.252 55.803 -0.060 0.000 0.843 210 Q CB -0.249 28.455 28.738 -0.055 0.000 0.904 210 Q HN 0.670 nan 8.270 nan 0.000 0.420 211 K N -0.224 120.161 120.400 -0.025 0.000 2.147 211 K HA -0.113 4.207 4.320 0.000 0.000 0.205 211 K C 2.121 178.718 176.600 -0.005 0.000 1.049 211 K CA 1.028 57.307 56.287 -0.013 0.000 0.936 211 K CB -0.339 32.157 32.500 -0.006 0.000 0.722 211 K HN 0.125 nan 8.250 nan 0.000 0.446 212 L N 0.810 122.032 121.223 -0.003 0.000 2.450 212 L HA -0.004 4.336 4.340 0.000 0.000 0.224 212 L C 1.501 178.378 176.870 0.012 0.000 1.149 212 L CA 2.078 56.927 54.840 0.015 0.000 0.816 212 L CB -0.400 41.671 42.059 0.020 0.000 0.932 212 L HN 0.721 nan 8.230 nan 0.000 0.449 213 G N -2.621 106.173 108.800 -0.011 0.000 2.218 213 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 213 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 213 G C 0.607 175.485 174.900 -0.037 0.000 0.994 213 G CA 0.101 45.192 45.100 -0.014 0.000 0.637 213 G HN 0.699 nan 8.290 nan 0.000 0.505 214 A N 0.048 122.834 122.820 -0.056 0.000 2.406 214 A HA 0.565 4.885 4.320 0.000 0.000 0.243 214 A C 1.006 178.503 177.584 -0.144 0.000 1.082 214 A CA 1.169 53.152 52.037 -0.091 0.000 0.786 214 A CB 0.331 19.260 19.000 -0.118 0.000 1.029 214 A HN 0.200 nan 8.150 nan 0.000 0.495 215 D N -0.577 119.717 120.400 -0.177 0.000 2.602 215 D HA 0.338 4.978 4.640 0.000 0.000 0.284 215 D C 0.400 176.484 176.300 -0.360 0.000 1.065 215 D CA 1.204 54.996 54.000 -0.346 0.000 0.923 215 D CB 0.517 41.112 40.800 -0.341 0.000 1.373 215 D HN 0.691 nan 8.370 nan 0.000 0.492 216 A N 0.935 123.663 122.820 -0.154 0.000 2.401 216 A HA 0.628 4.948 4.320 0.000 0.000 0.310 216 A C -1.077 176.362 177.584 -0.242 0.000 1.075 216 A CA -0.571 51.425 52.037 -0.068 0.000 0.746 216 A CB 2.408 21.530 19.000 0.203 0.000 1.277 216 A HN -0.052 nan 8.150 nan 0.000 0.425 217 V N 0.985 120.748 119.914 -0.252 0.000 2.769 217 V HA 0.962 5.082 4.120 0.000 0.000 0.312 217 V C 0.156 176.066 176.094 -0.307 0.000 1.061 217 V CA 0.653 62.724 62.300 -0.383 0.000 0.931 217 V CB 1.813 33.487 31.823 -0.248 0.000 1.010 217 V HN 1.825 nan 8.190 nan 0.000 0.433 218 G N 4.306 112.894 108.800 -0.353 0.000 2.663 218 G HA2 0.499 4.460 3.960 0.000 0.000 0.299 218 G HA3 0.499 4.460 3.960 0.000 0.000 0.299 218 G C -0.932 174.044 174.900 0.127 0.000 1.372 218 G CA -0.617 44.506 45.100 0.039 0.000 0.781 218 G HN 0.720 nan 8.290 nan 0.000 0.491 219 M N 1.336 121.111 119.600 0.291 0.000 2.785 219 M HA 0.379 4.859 4.480 0.000 0.000 0.374 219 M C 0.218 176.712 176.300 0.323 0.000 1.221 219 M CA -0.311 55.183 55.300 0.324 0.000 0.912 219 M CB 0.705 33.584 32.600 0.466 0.000 1.355 219 M HN 0.645 nan 8.290 nan 0.000 0.513 220 S N -3.048 112.809 115.700 0.262 0.000 2.806 220 S HA 0.613 5.083 4.470 0.000 0.000 0.294 220 S C 0.377 175.009 174.600 0.054 0.000 1.239 220 S CA 0.060 58.319 58.200 0.098 0.000 1.052 220 S CB 1.526 64.711 63.200 -0.025 0.000 1.332 220 S HN 0.203 nan 8.310 nan 0.000 0.516 221 T N 0.101 114.616 114.554 -0.064 0.000 13.229 221 T HA -0.277 4.073 4.350 0.000 0.000 0.418 221 T C 1.377 176.031 174.700 -0.076 0.000 1.449 221 T CA 1.628 63.659 62.100 -0.115 0.000 2.373 221 T CB -2.191 66.522 68.868 -0.257 0.000 2.798 221 T HN 1.149 nan 8.240 nan 0.000 0.615 222 V N 3.029 122.913 119.914 -0.050 0.000 2.250 222 V HA -0.200 3.920 4.120 0.000 0.000 0.250 222 V C -0.254 175.772 176.094 -0.114 0.000 1.060 222 V CA 2.960 65.181 62.300 -0.132 0.000 1.030 222 V CB -1.663 30.011 31.823 -0.248 0.000 0.643 222 V HN 0.434 nan 8.190 nan 0.000 0.445 223 P HA -0.147 nan 4.420 nan 0.000 0.216 223 P C 1.507 178.756 177.300 -0.085 0.000 1.150 223 P CA 1.458 64.512 63.100 -0.077 0.000 0.843 223 P CB 0.006 31.667 31.700 -0.064 0.000 0.787 224 E N -1.206 118.937 120.200 -0.095 0.000 2.112 224 E HA -0.073 4.277 4.350 0.000 0.000 0.190 224 E C 1.984 178.524 176.600 -0.099 0.000 0.979 224 E CA 0.580 56.916 56.400 -0.107 0.000 0.814 224 E CB -0.898 28.733 29.700 -0.115 0.000 0.762 224 E HN -0.022 nan 8.360 nan 0.000 0.460 225 V N 1.242 121.107 119.914 -0.083 0.000 2.223 225 V HA -0.291 3.829 4.120 0.000 0.000 0.244 225 V C 2.175 178.213 176.094 -0.092 0.000 1.045 225 V CA 1.768 64.012 62.300 -0.094 0.000 1.000 225 V CB -0.449 31.361 31.823 -0.021 0.000 0.635 225 V HN 0.264 nan 8.190 nan 0.000 0.445 226 I N 0.528 121.070 120.570 -0.047 0.000 2.068 226 I HA -0.284 3.886 4.170 0.000 0.000 0.238 226 I C 2.572 178.662 176.117 -0.045 0.000 1.046 226 I CA 2.360 63.643 61.300 -0.028 0.000 1.306 226 I CB -0.702 37.284 38.000 -0.024 0.000 1.023 226 I HN 0.401 nan 8.210 nan 0.000 0.399 227 V N 0.113 119.985 119.914 -0.070 0.000 2.720 227 V HA -0.188 3.932 4.120 0.000 0.000 0.256 227 V C 2.416 178.454 176.094 -0.093 0.000 1.082 227 V CA 1.696 63.950 62.300 -0.076 0.000 1.101 227 V CB -0.811 30.938 31.823 -0.124 0.000 0.693 227 V HN 0.376 nan 8.190 nan 0.000 0.479 228 A N 0.935 123.688 122.820 -0.111 0.000 1.855 228 A HA -0.086 4.234 4.320 0.000 0.000 0.215 228 A C 2.345 179.853 177.584 -0.127 0.000 1.191 228 A CA 1.600 53.559 52.037 -0.131 0.000 0.613 228 A CB -0.631 18.299 19.000 -0.117 0.000 0.829 228 A HN 0.489 nan 8.150 nan 0.000 0.442 229 R N -0.515 119.926 120.500 -0.098 0.000 2.103 229 R HA -0.176 4.164 4.340 0.000 0.000 0.242 229 R C 2.095 178.368 176.300 -0.046 0.000 1.142 229 R CA 1.658 57.709 56.100 -0.081 0.000 0.960 229 R CB -1.368 28.886 30.300 -0.076 0.000 0.858 229 R HN 0.863 nan 8.270 nan 0.000 0.439 230 H N -0.285 118.713 119.070 -0.119 0.000 2.422 230 H HA -0.127 4.429 4.556 0.000 0.000 0.298 230 H C 1.520 176.773 175.328 -0.126 0.000 1.098 230 H CA 1.641 57.629 56.048 -0.101 0.000 1.315 230 H CB 0.313 30.013 29.762 -0.103 0.000 1.382 230 H HN 0.172 nan 8.280 nan 0.000 0.523 231 C N -0.460 118.675 119.300 -0.275 0.000 2.485 231 C HA 0.181 4.642 4.460 0.000 0.000 0.277 231 C C 1.833 176.592 174.990 -0.386 0.000 1.376 231 C CA 0.907 59.646 59.018 -0.466 0.000 1.759 231 C CB -0.160 27.201 27.740 -0.631 0.000 1.970 231 C HN 0.894 nan 8.230 nan 0.000 0.509 232 G N 0.001 108.660 108.800 -0.234 0.000 2.141 232 G HA2 -0.140 3.820 3.960 0.000 0.000 0.164 232 G HA3 -0.140 3.820 3.960 0.000 0.000 0.164 232 G C -0.115 174.717 174.900 -0.113 0.000 1.009 232 G CA -0.473 44.539 45.100 -0.146 0.000 0.677 232 G HN 0.430 nan 8.290 nan 0.000 0.508 233 L N 0.359 121.505 121.223 -0.128 0.000 2.395 233 L HA 0.474 4.814 4.340 0.000 0.000 0.269 233 L C 1.386 178.223 176.870 -0.057 0.000 1.133 233 L CA -0.807 53.986 54.840 -0.080 0.000 0.812 233 L CB 0.867 42.876 42.059 -0.084 0.000 1.125 233 L HN 0.212 nan 8.230 nan 0.000 0.452 234 R N 1.289 121.776 120.500 -0.021 0.000 2.490 234 R HA 0.504 4.844 4.340 0.000 0.000 0.280 234 R C -1.313 174.989 176.300 0.003 0.000 1.077 234 R CA -0.300 55.808 56.100 0.014 0.000 1.065 234 R CB 0.985 31.321 30.300 0.060 0.000 1.003 234 R HN 0.410 nan 8.270 nan 0.000 0.470 235 V N 5.552 125.478 119.914 0.020 0.000 2.808 235 V HA 0.569 4.689 4.120 0.000 0.000 0.308 235 V C -1.072 175.106 176.094 0.141 0.000 1.099 235 V CA -0.664 61.618 62.300 -0.031 0.000 0.920 235 V CB 1.740 33.470 31.823 -0.155 0.000 1.014 235 V HN 0.794 nan 8.190 nan 0.000 0.425 236 F N 1.476 121.396 119.950 -0.049 0.000 2.693 236 F HA 1.002 5.529 4.527 0.000 0.000 0.309 236 F C -0.264 175.369 175.800 -0.280 0.000 1.129 236 F CA -0.387 57.582 58.000 -0.051 0.000 0.948 236 F CB 1.696 40.651 39.000 -0.076 0.000 1.315 236 F HN 0.822 nan 8.300 nan 0.000 0.447 237 G N 0.814 109.415 108.800 -0.331 0.000 2.623 237 G HA2 0.665 4.625 3.960 0.000 0.000 0.290 237 G HA3 0.665 4.625 3.960 0.000 0.000 0.290 237 G C -2.475 171.942 174.900 -0.805 0.000 1.437 237 G CA -0.935 43.688 45.100 -0.795 0.000 0.798 237 G HN 0.632 nan 8.290 nan 0.000 0.488 238 F N -0.462 119.478 119.950 -0.018 0.000 2.620 238 F HA 0.855 5.383 4.527 0.000 0.000 0.320 238 F C 0.378 176.154 175.800 -0.041 0.000 1.069 238 F CA -1.298 56.700 58.000 -0.003 0.000 0.953 238 F CB 2.313 41.352 39.000 0.063 0.000 1.322 238 F HN 0.384 nan 8.300 nan 0.000 0.479 239 S N 1.069 116.872 115.700 0.171 0.000 2.521 239 S HA 0.588 5.058 4.470 0.000 0.000 0.295 239 S C -1.581 173.097 174.600 0.130 0.000 1.098 239 S CA -0.463 57.815 58.200 0.129 0.000 0.999 239 S CB 1.580 64.893 63.200 0.188 0.000 1.034 239 S HN 0.546 nan 8.310 nan 0.000 0.483 240 L N 5.684 126.980 121.223 0.121 0.000 2.288 240 L HA 0.481 4.821 4.340 0.000 0.000 0.283 240 L C -0.697 176.230 176.870 0.096 0.000 1.072 240 L CA -0.353 54.541 54.840 0.089 0.000 0.862 240 L CB -0.048 42.067 42.059 0.093 0.000 1.245 240 L HN 0.501 nan 8.230 nan 0.000 0.432 241 I N 5.045 125.665 120.570 0.083 0.000 2.818 241 I HA -0.040 4.131 4.170 0.000 0.000 0.285 241 I C 1.606 177.770 176.117 0.078 0.000 1.160 241 I CA 0.614 61.979 61.300 0.109 0.000 1.370 241 I CB -0.619 37.462 38.000 0.134 0.000 1.440 241 I HN 0.746 nan 8.210 nan 0.000 0.555 242 T N 2.171 116.772 114.554 0.078 0.000 3.065 242 T HA 0.075 4.426 4.350 0.000 0.000 0.252 242 T C 0.588 175.322 174.700 0.056 0.000 1.099 242 T CA -0.109 62.031 62.100 0.067 0.000 1.063 242 T CB 0.011 68.928 68.868 0.082 0.000 0.948 242 T HN 0.701 nan 8.240 nan 0.000 0.506 243 N N -0.152 118.575 118.700 0.046 0.000 2.710 243 N HA 0.149 4.889 4.740 0.000 0.000 0.257 243 N C -1.933 173.590 175.510 0.022 0.000 1.140 243 N CA -0.817 52.254 53.050 0.035 0.000 0.953 243 N CB 1.459 39.966 38.487 0.034 0.000 1.664 243 N HN 0.020 nan 8.380 nan 0.000 0.497 244 K N 1.005 121.423 120.400 0.030 0.000 2.249 244 K HA 0.310 4.630 4.320 0.000 0.000 0.280 244 K C -0.163 176.434 176.600 -0.005 0.000 1.033 244 K CA -0.593 55.708 56.287 0.023 0.000 0.946 244 K CB 1.573 34.095 32.500 0.037 0.000 1.005 244 K HN 0.324 nan 8.250 nan 0.000 0.469 245 V N 5.196 125.092 119.914 -0.030 0.000 2.498 245 V HA 0.032 4.152 4.120 0.000 0.000 0.279 245 V C 0.613 176.697 176.094 -0.017 0.000 1.048 245 V CA -0.781 61.491 62.300 -0.046 0.000 0.967 245 V CB 0.246 32.020 31.823 -0.083 0.000 0.988 245 V HN 0.562 nan 8.190 nan 0.000 0.473 246 I N 3.202 123.771 120.570 -0.001 0.000 3.543 246 I HA 0.303 4.473 4.170 0.000 0.000 0.262 246 I C 0.101 176.231 176.117 0.022 0.000 1.301 246 I CA -0.228 61.084 61.300 0.020 0.000 1.242 246 I CB -0.193 37.824 38.000 0.027 0.000 1.402 246 I HN 0.548 nan 8.210 nan 0.000 0.671 247 M N 0.983 120.610 119.600 0.046 0.000 2.307 247 M HA 0.185 4.666 4.480 0.000 0.000 0.279 247 M C -0.090 176.265 176.300 0.091 0.000 1.080 247 M CA -0.619 54.715 55.300 0.057 0.000 0.964 247 M CB 1.936 34.569 32.600 0.054 0.000 1.825 247 M HN 0.727 nan 8.290 nan 0.000 0.489 248 D N 1.623 122.064 120.400 0.068 0.000 2.163 248 D HA -0.273 4.367 4.640 0.000 0.000 0.349 248 D C 1.154 177.507 176.300 0.089 0.000 1.476 248 D CA 3.182 57.217 54.000 0.058 0.000 1.265 248 D CB -0.111 40.717 40.800 0.047 0.000 2.179 248 D HN 0.813 nan 8.370 nan 0.000 0.685 249 Y N 0.948 121.248 120.300 -0.000 0.000 2.673 249 Y HA -0.457 4.093 4.550 0.000 0.000 0.490 249 Y C 0.049 175.950 175.900 0.002 0.000 0.964 249 Y CA 2.938 61.039 58.100 0.001 0.000 3.229 249 Y CB -0.975 37.485 38.460 0.000 0.000 0.892 249 Y HN 0.421 nan 8.280 nan 0.000 0.572 250 E N 0.671 120.350 120.200 -0.868 0.000 3.562 250 E HA 0.415 4.765 4.350 0.000 0.000 0.377 250 E C -1.101 175.100 176.600 -0.666 0.000 1.050 250 E CA 0.575 56.517 56.400 -0.763 0.000 0.705 250 E CB 0.328 29.519 29.700 -0.848 0.000 1.314 250 E HN 0.659 nan 8.360 nan 0.000 0.484 251 S N 2.129 117.668 115.700 -0.268 0.000 2.677 251 S HA 0.775 5.245 4.470 0.000 0.000 0.290 251 S C 0.165 174.718 174.600 -0.079 0.000 1.124 251 S CA -0.101 58.032 58.200 -0.112 0.000 1.017 251 S CB 0.510 63.694 63.200 -0.025 0.000 1.215 251 S HN 0.645 nan 8.310 nan 0.000 0.524 252 L N -1.227 119.981 121.223 -0.025 0.000 3.679 252 L HA 0.665 5.005 4.340 0.000 0.000 0.342 252 L C 0.037 176.910 176.870 0.004 0.000 1.170 252 L CA -0.232 54.600 54.840 -0.014 0.000 1.221 252 L CB -0.506 41.549 42.059 -0.007 0.000 1.654 252 L HN 0.224 nan 8.230 nan 0.000 0.628 253 E N 1.488 121.696 120.200 0.015 0.000 2.390 253 E HA 0.583 4.934 4.350 0.000 0.000 0.249 253 E C 0.159 176.778 176.600 0.031 0.000 0.981 253 E CA 0.076 56.491 56.400 0.026 0.000 0.860 253 E CB 1.791 31.512 29.700 0.035 0.000 1.278 253 E HN 0.311 nan 8.360 nan 0.000 0.416 254 K N -1.388 119.040 120.400 0.047 0.000 3.095 254 K HA 0.650 4.970 4.320 0.000 0.000 0.220 254 K C -0.614 176.048 176.600 0.102 0.000 1.926 254 K CA 0.144 56.468 56.287 0.061 0.000 1.367 254 K CB 0.910 33.441 32.500 0.052 0.000 2.243 254 K HN 0.439 nan 8.250 nan 0.000 0.554 255 A N 1.201 124.102 122.820 0.136 0.000 1.348 255 A HA 0.298 4.618 4.320 0.000 0.000 0.274 255 A C -2.047 175.692 177.584 0.259 0.000 0.646 255 A CA -0.382 51.800 52.037 0.242 0.000 0.481 255 A CB -0.808 18.413 19.000 0.369 0.000 1.216 255 A HN 0.711 nan 8.150 nan 0.000 0.344 256 N N 0.040 118.886 118.700 0.243 0.000 2.525 256 N HA 0.625 5.365 4.740 0.000 0.000 0.270 256 N C 0.024 175.664 175.510 0.217 0.000 1.321 256 N CA -0.524 52.612 53.050 0.143 0.000 0.797 256 N CB 0.941 39.473 38.487 0.076 0.000 1.529 256 N HN 0.650 nan 8.380 nan 0.000 0.491 257 H N -0.562 118.516 119.070 0.014 0.000 2.529 257 H HA 0.082 4.638 4.556 0.000 0.000 0.277 257 H C 1.264 176.625 175.328 0.056 0.000 0.999 257 H CA 1.310 57.385 56.048 0.046 0.000 1.256 257 H CB 0.302 30.045 29.762 -0.032 0.000 1.402 257 H HN 0.811 nan 8.280 nan 0.000 0.566 258 E N 0.821 121.028 120.200 0.012 0.000 2.267 258 E HA -0.194 4.157 4.350 0.000 0.000 0.197 258 E C 1.237 177.809 176.600 -0.047 0.000 0.998 258 E CA 0.977 57.354 56.400 -0.038 0.000 0.830 258 E CB 0.023 29.726 29.700 0.005 0.000 0.751 258 E HN 0.657 nan 8.360 nan 0.000 0.491 259 E N 0.051 120.252 120.200 0.002 0.000 2.510 259 E HA -0.125 4.225 4.350 0.000 0.000 0.202 259 E C 1.755 178.343 176.600 -0.019 0.000 1.072 259 E CA 0.272 56.686 56.400 0.022 0.000 0.883 259 E CB 0.132 29.882 29.700 0.084 0.000 0.818 259 E HN 0.137 nan 8.360 nan 0.000 0.548 260 V N 0.718 120.551 119.914 -0.135 0.000 2.913 260 V HA -0.194 3.926 4.120 0.000 0.000 0.260 260 V C 1.567 177.615 176.094 -0.076 0.000 1.098 260 V CA 0.839 63.036 62.300 -0.171 0.000 1.121 260 V CB -0.165 31.374 31.823 -0.472 0.000 0.714 260 V HN 0.249 nan 8.190 nan 0.000 0.487 261 L N 0.745 121.934 121.223 -0.056 0.000 2.137 261 L HA -0.208 4.132 4.340 0.000 0.000 0.213 261 L C 2.719 179.589 176.870 0.000 0.000 1.085 261 L CA 2.332 57.160 54.840 -0.020 0.000 0.760 261 L CB -1.866 40.188 42.059 -0.008 0.000 0.893 261 L HN 0.426 nan 8.230 nan 0.000 0.434 262 A N -0.311 122.513 122.820 0.006 0.000 1.851 262 A HA -0.080 4.240 4.320 0.000 0.000 0.216 262 A C 1.713 179.316 177.584 0.031 0.000 1.195 262 A CA 1.346 53.397 52.037 0.024 0.000 0.622 262 A CB -1.001 18.019 19.000 0.034 0.000 0.831 262 A HN 0.361 nan 8.150 nan 0.000 0.444 263 A N -0.862 121.976 122.820 0.031 0.000 2.993 263 A HA 0.461 4.781 4.320 0.000 0.000 0.281 263 A C 1.110 178.716 177.584 0.036 0.000 1.847 263 A CA 0.804 52.868 52.037 0.046 0.000 1.470 263 A CB -1.380 17.657 19.000 0.061 0.000 1.028 263 A HN 1.781 nan 8.150 nan 0.000 0.604 264 G N 0.590 109.413 108.800 0.038 0.000 3.465 264 G HA2 -0.068 3.892 3.960 0.000 0.000 0.219 264 G HA3 -0.068 3.892 3.960 0.000 0.000 0.219 264 G C 0.457 175.376 174.900 0.031 0.000 0.984 264 G CA 0.021 45.142 45.100 0.034 0.000 0.864 264 G HN 0.644 nan 8.290 nan 0.000 0.485 265 K N 0.818 121.235 120.400 0.029 0.000 2.132 265 K HA 0.547 4.867 4.320 0.000 0.000 0.240 265 K C 1.823 178.443 176.600 0.033 0.000 1.036 265 K CA 0.077 56.380 56.287 0.027 0.000 0.888 265 K CB 0.289 32.803 32.500 0.024 0.000 1.071 265 K HN 0.060 nan 8.250 nan 0.000 0.502 266 Q N 0.719 120.537 119.800 0.030 0.000 2.182 266 Q HA -0.305 4.035 4.340 0.000 0.000 0.213 266 Q C 1.782 177.810 176.000 0.047 0.000 1.000 266 Q CA 2.919 58.742 55.803 0.034 0.000 0.889 266 Q CB -0.656 28.098 28.738 0.027 0.000 0.932 266 Q HN 0.699 nan 8.270 nan 0.000 0.415 267 A N 0.456 123.303 122.820 0.046 0.000 1.896 267 A HA -0.297 4.023 4.320 0.000 0.000 0.220 267 A C 2.244 179.868 177.584 0.067 0.000 1.206 267 A CA 2.516 54.585 52.037 0.054 0.000 0.647 267 A CB -1.417 17.609 19.000 0.042 0.000 0.828 267 A HN 0.491 nan 8.150 nan 0.000 0.455 268 A N -1.346 121.512 122.820 0.063 0.000 1.849 268 A HA -0.231 4.089 4.320 0.000 0.000 0.217 268 A C 1.979 179.612 177.584 0.082 0.000 1.202 268 A CA 2.121 54.201 52.037 0.072 0.000 0.629 268 A CB -0.731 18.306 19.000 0.061 0.000 0.834 268 A HN 0.508 nan 8.150 nan 0.000 0.447 269 Q N -0.653 119.189 119.800 0.070 0.000 2.541 269 Q HA -0.031 4.309 4.340 0.000 0.000 0.215 269 Q C 1.722 177.774 176.000 0.088 0.000 0.977 269 Q CA 1.412 57.259 55.803 0.073 0.000 0.934 269 Q CB -0.134 28.637 28.738 0.054 0.000 0.988 269 Q HN 0.657 nan 8.270 nan 0.000 0.521 270 K N 0.489 120.949 120.400 0.099 0.000 2.044 270 K HA -0.041 4.280 4.320 0.000 0.000 0.204 270 K C 1.505 178.224 176.600 0.199 0.000 1.045 270 K CA 0.661 57.026 56.287 0.129 0.000 0.951 270 K CB -0.591 31.989 32.500 0.133 0.000 0.738 270 K HN 0.233 nan 8.250 nan 0.000 0.443 271 L N 1.793 123.123 121.223 0.179 0.000 2.191 271 L HA -0.032 4.308 4.340 0.000 0.000 0.212 271 L C 1.628 178.637 176.870 0.232 0.000 1.103 271 L CA 1.757 56.730 54.840 0.222 0.000 0.769 271 L CB -0.534 41.627 42.059 0.170 0.000 0.908 271 L HN 0.325 nan 8.230 nan 0.000 0.438 272 E N -1.035 119.266 120.200 0.168 0.000 2.072 272 E HA -0.284 4.066 4.350 0.000 0.000 0.191 272 E C 2.059 178.746 176.600 0.144 0.000 0.985 272 E CA 1.196 57.678 56.400 0.137 0.000 0.801 272 E CB -0.090 29.669 29.700 0.099 0.000 0.750 272 E HN 0.511 nan 8.360 nan 0.000 0.452 273 Q N 0.467 120.359 119.800 0.153 0.000 2.050 273 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 273 Q C 1.802 177.934 176.000 0.220 0.000 0.980 273 Q CA 1.315 57.203 55.803 0.143 0.000 0.840 273 Q CB -0.443 28.358 28.738 0.105 0.000 0.898 273 Q HN 0.221 nan 8.270 nan 0.000 0.424 274 F N 0.188 120.192 119.950 0.091 0.000 2.011 274 F HA -0.235 4.292 4.527 0.000 0.000 0.296 274 F C 2.085 177.943 175.800 0.097 0.000 1.144 274 F CA 1.690 59.754 58.000 0.106 0.000 1.185 274 F CB -1.043 38.028 39.000 0.119 0.000 0.961 274 F HN 0.007 nan 8.300 nan 0.000 0.485 275 V N -0.249 119.701 119.914 0.061 0.000 2.439 275 V HA -0.360 3.760 4.120 0.000 0.000 0.253 275 V C 2.527 178.654 176.094 0.054 0.000 1.074 275 V CA 2.048 64.373 62.300 0.042 0.000 1.076 275 V CB -1.160 30.752 31.823 0.147 0.000 0.664 275 V HN 0.382 nan 8.190 nan 0.000 0.461 276 S N -0.291 115.455 115.700 0.077 0.000 2.338 276 S HA -0.074 4.396 4.470 0.000 0.000 0.218 276 S C 1.877 176.513 174.600 0.060 0.000 1.032 276 S CA 1.604 59.845 58.200 0.068 0.000 0.999 276 S CB -0.312 62.932 63.200 0.073 0.000 0.905 276 S HN 0.504 nan 8.310 nan 0.000 0.439 277 I N 1.478 122.091 120.570 0.072 0.000 2.264 277 I HA -0.177 3.993 4.170 0.000 0.000 0.248 277 I C 1.990 178.129 176.117 0.037 0.000 1.111 277 I CA 0.975 62.315 61.300 0.066 0.000 1.382 277 I CB -0.260 37.803 38.000 0.104 0.000 1.060 277 I HN 0.219 nan 8.210 nan 0.000 0.418 278 L N -0.174 121.041 121.223 -0.014 0.000 2.353 278 L HA -0.221 4.119 4.340 0.000 0.000 0.220 278 L C 2.431 179.320 176.870 0.031 0.000 1.133 278 L CA 0.587 55.400 54.840 -0.046 0.000 0.798 278 L CB -0.236 41.731 42.059 -0.153 0.000 0.922 278 L HN 0.323 nan 8.230 nan 0.000 0.445 279 M N -1.018 118.614 119.600 0.052 0.000 2.213 279 M HA -0.149 4.331 4.480 0.000 0.000 0.263 279 M C 2.382 178.712 176.300 0.050 0.000 1.062 279 M CA 1.557 56.895 55.300 0.064 0.000 1.105 279 M CB -1.185 31.451 32.600 0.060 0.000 1.385 279 M HN 0.275 nan 8.290 nan 0.000 0.417 280 A N -0.997 121.846 122.820 0.038 0.000 2.209 280 A HA 0.015 4.335 4.320 0.000 0.000 0.212 280 A C 2.021 179.616 177.584 0.020 0.000 1.158 280 A CA 1.205 53.261 52.037 0.030 0.000 0.742 280 A CB -0.382 18.635 19.000 0.029 0.000 0.790 280 A HN 0.456 nan 8.150 nan 0.000 0.472 281 S N -0.722 114.984 115.700 0.010 0.000 2.578 281 S HA 0.369 4.839 4.470 0.000 0.000 0.231 281 S C 0.178 174.768 174.600 -0.016 0.000 0.994 281 S CA -0.341 57.852 58.200 -0.012 0.000 0.956 281 S CB -0.017 63.160 63.200 -0.037 0.000 0.870 281 S HN 0.442 nan 8.310 nan 0.000 0.494 282 I N 3.364 123.946 120.570 0.019 0.000 2.315 282 I HA 0.288 4.459 4.170 0.000 0.000 0.291 282 I C -2.529 173.609 176.117 0.034 0.000 1.006 282 I CA -2.478 58.847 61.300 0.042 0.000 1.265 282 I CB 1.336 39.393 38.000 0.095 0.000 1.387 282 I HN -0.130 nan 8.210 nan 0.000 0.475 283 P HA 0.032 nan 4.420 nan 0.000 0.266 283 P C -0.617 176.701 177.300 0.030 0.000 1.193 283 P CA 0.109 63.223 63.100 0.024 0.000 0.770 283 P CB 0.516 32.229 31.700 0.020 0.000 0.836 284 L N 5.316 126.555 121.223 0.028 0.000 2.439 284 L HA 0.306 4.646 4.340 0.000 0.000 0.259 284 L C -0.915 175.972 176.870 0.029 0.000 1.129 284 L CA -1.334 53.525 54.840 0.031 0.000 0.803 284 L CB 0.487 42.565 42.059 0.031 0.000 1.161 284 L HN 0.403 nan 8.230 nan 0.000 0.462 285 P HA -0.125 nan 4.420 nan 0.000 0.233 285 P C 0.560 177.876 177.300 0.026 0.000 1.167 285 P CA 0.740 63.857 63.100 0.029 0.000 0.770 285 P CB 0.229 31.948 31.700 0.032 0.000 0.837 286 D N 1.003 121.418 120.400 0.025 0.000 2.351 286 D HA -0.122 4.518 4.640 0.000 0.000 0.216 286 D C 0.149 176.460 176.300 0.018 0.000 0.968 286 D CA 0.555 54.568 54.000 0.022 0.000 0.899 286 D CB -0.410 40.403 40.800 0.021 0.000 0.907 286 D HN -0.203 nan 8.370 nan 0.000 0.514 287 K N -0.874 119.537 120.400 0.019 0.000 3.393 287 K HA -0.172 4.148 4.320 0.000 0.000 0.272 287 K C -0.157 176.451 176.600 0.014 0.000 1.004 287 K CA 0.694 56.991 56.287 0.016 0.000 0.764 287 K CB -3.098 29.411 32.500 0.015 0.000 1.373 287 K HN 0.309 nan 8.250 nan 0.000 0.458 288 A N 1.163 123.991 122.820 0.015 0.000 2.573 288 A HA 0.175 4.495 4.320 0.000 0.000 0.266 288 A C 0.896 178.486 177.584 0.011 0.000 1.007 288 A CA 1.306 53.351 52.037 0.013 0.000 0.878 288 A CB -0.371 18.637 19.000 0.014 0.000 0.886 288 A HN 1.282 nan 8.150 nan 0.000 0.507 289 S N 0.000 115.706 115.700 0.010 0.000 2.498 289 S HA 0.000 4.470 4.470 0.000 0.000 0.327 289 S CA 0.000 58.205 58.200 0.008 0.000 1.107 289 S CB 0.000 63.205 63.200 0.008 0.000 0.593 289 S HN 0.000 nan 8.310 nan 0.000 0.517