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 2o2c_1_B DATA FIRST_RESID 43 DATA SEQUENCE GADADTTLTS CASWTQLQKL YEQYGDEPIK KHFETDSERG QRYSVKVSLG DATA SEQUENCE SKDENFLFLD YSKSHINDEI KCALLRLAEE RGIRQFVQSV FRGERVNTTE DATA SEQUENCE NRPVLHIALR NRSNRPIYVD GKDVMPAVNK VLDQMRSFSE KVRTGEWKGH DATA SEQUENCE TGKAIRHVVN IGIGGSDLGP VMATEALKPF SQRDLSLHFV SNVDGTHIAE DATA SEQUENCE VLKSIDIEAT LFIVASKTFT TQETITNALS ARRALLDYLR SRGIDEKGSV DATA SEQUENCE AKHFVALSTN NQKVKEFGID EENMFQFWDW VGGRYSMWSA IGLPIMISIG DATA SEQUENCE YENFVELLTG AHVIDEHFAN APPEQNVPLL LALVGVWYIN FFGAVTHAIL DATA SEQUENCE PYDQYLWRLP AYLQQLDMES NGKYVTRSGK TVSTLTGPII FGEAGTNGQH DATA SEQUENCE AFYQLIHQGT NLIPCDFIGA IQSQNKIGDH HKIFMSNFFA QTEALMIGKS DATA SEQUENCE PSEVRRELEA AGERSAEKIN ALLPHKTFIG GRPSNTLLIK SLTPRALGAI DATA SEQUENCE IAMYEHKVLV QGAIWGIDSY DQWGVELGKV LAKSILPQLR PGMRVNNHDS DATA SEQUENCE STNGLINMFN ELSH 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 43 G HA2 0.000 nan 3.960 nan 0.000 0.244 43 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 43 G C 0.000 174.863 174.900 -0.061 0.000 0.946 43 G CA 0.000 45.059 45.100 -0.069 0.000 0.502 44 A N -0.831 121.946 122.820 -0.072 0.000 2.261 44 A HA 0.768 5.089 4.320 0.002 0.000 0.323 44 A C -0.577 176.974 177.584 -0.056 0.000 1.107 44 A CA -0.404 51.599 52.037 -0.057 0.000 0.883 44 A CB 0.672 19.640 19.000 -0.054 0.000 1.251 44 A HN 0.499 nan 8.150 nan 0.000 0.502 45 D N 0.197 120.571 120.400 -0.044 0.000 2.358 45 D HA 0.487 5.128 4.640 0.002 0.000 0.244 45 D C 0.307 176.580 176.300 -0.046 0.000 1.163 45 D CA 0.522 54.498 54.000 -0.041 0.000 0.945 45 D CB 1.063 41.845 40.800 -0.030 0.000 1.152 45 D HN 0.677 nan 8.370 nan 0.000 0.451 46 A N 0.791 123.583 122.820 -0.046 0.000 2.331 46 A HA 0.254 4.575 4.320 0.002 0.000 0.283 46 A C -0.064 177.492 177.584 -0.048 0.000 1.142 46 A CA -0.491 51.514 52.037 -0.052 0.000 0.812 46 A CB 0.324 19.292 19.000 -0.053 0.000 1.074 46 A HN 0.480 nan 8.150 nan 0.000 0.497 47 D N 1.155 121.522 120.400 -0.054 0.000 2.390 47 D HA 0.298 4.939 4.640 0.002 0.000 0.249 47 D C 1.264 177.519 176.300 -0.075 0.000 1.144 47 D CA 0.975 54.941 54.000 -0.056 0.000 0.880 47 D CB 0.846 41.612 40.800 -0.056 0.000 1.182 47 D HN 0.490 nan 8.370 nan 0.000 0.451 48 T N -1.329 113.186 114.554 -0.065 0.000 3.003 48 T HA -0.005 4.346 4.350 0.002 0.000 0.261 48 T C 1.735 176.387 174.700 -0.080 0.000 1.003 48 T CA 0.446 62.503 62.100 -0.071 0.000 0.917 48 T CB -0.317 68.526 68.868 -0.040 0.000 1.084 48 T HN 0.426 nan 8.240 nan 0.000 0.522 49 T N 1.096 115.606 114.554 -0.073 0.000 2.759 49 T HA -0.062 4.289 4.350 0.002 0.000 0.269 49 T C 1.723 176.364 174.700 -0.099 0.000 1.042 49 T CA 1.140 63.201 62.100 -0.064 0.000 1.140 49 T CB -0.556 68.286 68.868 -0.042 0.000 0.864 49 T HN 0.243 nan 8.240 nan 0.000 0.455 50 L N 2.327 123.439 121.223 -0.185 0.000 2.102 50 L HA 0.151 4.492 4.340 0.002 0.000 0.202 50 L C 2.758 179.334 176.870 -0.491 0.000 1.076 50 L CA 2.415 57.062 54.840 -0.322 0.000 0.761 50 L CB -1.310 40.483 42.059 -0.443 0.000 0.921 50 L HN 0.553 nan 8.230 nan 0.000 0.444 51 T N -4.232 110.012 114.554 -0.516 0.000 2.962 51 T HA -0.075 4.276 4.350 0.002 0.000 0.270 51 T C 1.747 176.413 174.700 -0.055 0.000 1.088 51 T CA 1.350 63.191 62.100 -0.432 0.000 1.127 51 T CB -0.551 68.169 68.868 -0.247 0.000 0.883 51 T HN 0.270 nan 8.240 nan 0.000 0.493 52 S N -0.040 115.636 115.700 -0.040 0.000 2.575 52 S HA 0.245 4.716 4.470 0.002 0.000 0.215 52 S C 0.907 175.551 174.600 0.073 0.000 0.966 52 S CA -0.541 57.679 58.200 0.034 0.000 0.911 52 S CB -0.505 62.701 63.200 0.010 0.000 0.780 52 S HN 0.602 nan 8.310 nan 0.000 0.514 53 C N 2.471 121.825 119.300 0.091 0.000 2.653 53 C HA 0.323 4.784 4.460 0.002 0.000 0.421 53 C C 2.141 177.242 174.990 0.186 0.000 1.334 53 C CA -0.294 58.803 59.018 0.132 0.000 1.885 53 C CB 0.043 27.881 27.740 0.164 0.000 2.645 53 C HN 0.608 nan 8.230 nan 0.000 0.601 54 A N 3.100 126.000 122.820 0.133 0.000 1.978 54 A HA -0.144 4.177 4.320 0.002 0.000 0.220 54 A C 2.218 179.887 177.584 0.141 0.000 1.170 54 A CA 2.326 54.435 52.037 0.120 0.000 0.636 54 A CB -0.611 18.436 19.000 0.078 0.000 0.810 54 A HN 1.035 nan 8.150 nan 0.000 0.448 55 S N -2.206 113.589 115.700 0.158 0.000 2.436 55 S HA -0.138 4.333 4.470 0.002 0.000 0.228 55 S C 1.825 176.559 174.600 0.224 0.000 1.014 55 S CA 0.677 58.966 58.200 0.148 0.000 0.950 55 S CB -0.606 62.669 63.200 0.124 0.000 0.784 55 S HN 0.748 nan 8.310 nan 0.000 0.504 56 W N 3.397 124.780 121.300 0.138 0.000 2.409 56 W HA -0.161 4.500 4.660 0.002 0.000 0.299 56 W C 2.306 178.976 176.519 0.251 0.000 1.203 56 W CA 2.121 59.612 57.345 0.244 0.000 1.298 56 W CB -0.648 28.942 29.460 0.217 0.000 1.127 56 W HN 0.547 nan 8.180 nan 0.000 0.528 57 T N -1.001 113.766 114.554 0.356 0.000 2.867 57 T HA -0.273 4.077 4.350 0.002 0.000 0.268 57 T C 1.545 176.320 174.700 0.126 0.000 1.057 57 T CA 1.625 63.864 62.100 0.231 0.000 1.136 57 T CB -0.507 68.479 68.868 0.196 0.000 0.874 57 T HN 0.056 nan 8.240 nan 0.000 0.466 58 Q N 1.086 120.944 119.800 0.096 0.000 2.123 58 Q HA 0.176 4.517 4.340 0.002 0.000 0.199 58 Q C 2.117 178.111 176.000 -0.011 0.000 0.966 58 Q CA 1.226 57.054 55.803 0.042 0.000 0.845 58 Q CB -0.771 27.988 28.738 0.035 0.000 0.907 58 Q HN 0.622 nan 8.270 nan 0.000 0.439 59 L N 0.136 121.304 121.223 -0.090 0.000 2.141 59 L HA -0.166 4.175 4.340 0.002 0.000 0.209 59 L C 2.393 179.116 176.870 -0.246 0.000 1.094 59 L CA 1.199 55.860 54.840 -0.297 0.000 0.763 59 L CB -0.310 41.341 42.059 -0.680 0.000 0.908 59 L HN 0.300 nan 8.230 nan 0.000 0.437 60 Q N 0.764 120.552 119.800 -0.019 0.000 2.119 60 Q HA -0.227 4.114 4.340 0.002 0.000 0.201 60 Q C 2.087 178.176 176.000 0.148 0.000 0.972 60 Q CA 1.692 57.612 55.803 0.195 0.000 0.847 60 Q CB -0.084 28.787 28.738 0.221 0.000 0.903 60 Q HN 0.305 nan 8.270 nan 0.000 0.433 61 K N -0.473 119.973 120.400 0.078 0.000 2.057 61 K HA -0.077 4.244 4.320 0.002 0.000 0.206 61 K C 1.905 178.507 176.600 0.003 0.000 1.050 61 K CA 1.170 57.477 56.287 0.033 0.000 0.935 61 K CB -0.140 32.372 32.500 0.021 0.000 0.715 61 K HN 0.307 nan 8.250 nan 0.000 0.439 62 L N 0.158 121.413 121.223 0.053 0.000 2.201 62 L HA -0.150 4.191 4.340 0.002 0.000 0.212 62 L C 2.419 179.430 176.870 0.236 0.000 1.105 62 L CA 0.835 55.743 54.840 0.113 0.000 0.775 62 L CB -0.478 41.669 42.059 0.146 0.000 0.913 62 L HN 0.265 nan 8.230 nan 0.000 0.440 63 Y N 1.308 121.704 120.300 0.160 0.000 2.163 63 Y HA -0.223 4.328 4.550 0.002 0.000 0.288 63 Y C 2.408 178.271 175.900 -0.063 0.000 1.136 63 Y CA 1.571 59.707 58.100 0.060 0.000 1.147 63 Y CB -0.131 38.212 38.460 -0.196 0.000 0.987 63 Y HN 0.182 nan 8.280 nan 0.000 0.509 64 E N -0.274 119.825 120.200 -0.168 0.000 2.110 64 E HA -0.240 4.111 4.350 0.002 0.000 0.193 64 E C 2.098 178.538 176.600 -0.268 0.000 0.988 64 E CA 1.504 57.754 56.400 -0.249 0.000 0.804 64 E CB -0.146 29.497 29.700 -0.095 0.000 0.745 64 E HN 0.673 nan 8.360 nan 0.000 0.458 65 Q N -0.523 119.100 119.800 -0.295 0.000 2.062 65 Q HA -0.081 4.260 4.340 0.002 0.000 0.196 65 Q C 1.096 176.819 176.000 -0.461 0.000 0.967 65 Q CA 1.122 56.630 55.803 -0.492 0.000 0.832 65 Q CB 0.158 28.380 28.738 -0.859 0.000 0.899 65 Q HN 0.380 nan 8.270 nan 0.000 0.442 66 Y N -1.546 118.775 120.300 0.036 0.000 2.453 66 Y HA 0.322 4.873 4.550 0.002 0.000 0.247 66 Y C 1.943 177.952 175.900 0.182 0.000 1.124 66 Y CA -0.027 58.143 58.100 0.118 0.000 1.243 66 Y CB -0.006 38.556 38.460 0.170 0.000 1.213 66 Y HN 0.080 nan 8.280 nan 0.000 0.523 67 G N -0.164 108.714 108.800 0.131 0.000 2.471 67 G HA2 -0.257 3.704 3.960 0.002 0.000 0.219 67 G HA3 -0.257 3.704 3.960 0.002 0.000 0.219 67 G C 1.074 175.997 174.900 0.039 0.000 1.125 67 G CA 1.155 46.278 45.100 0.037 0.000 0.775 67 G HN 0.382 nan 8.290 nan 0.000 0.548 68 D N -0.463 119.924 120.400 -0.023 0.000 2.348 68 D HA 0.041 4.682 4.640 0.002 0.000 0.211 68 D C 0.992 177.381 176.300 0.148 0.000 0.998 68 D CA -0.135 53.881 54.000 0.028 0.000 0.873 68 D CB 0.147 40.916 40.800 -0.051 0.000 0.925 68 D HN 0.361 nan 8.370 nan 0.000 0.524 69 E N 1.466 121.791 120.200 0.208 0.000 2.299 69 E HA 0.094 4.445 4.350 0.002 0.000 0.272 69 E C -2.130 174.571 176.600 0.167 0.000 1.043 69 E CA -2.002 54.491 56.400 0.155 0.000 0.895 69 E CB 0.751 30.535 29.700 0.140 0.000 1.011 69 E HN 0.138 nan 8.360 nan 0.000 0.432 70 P HA -0.070 nan 4.420 nan 0.000 0.267 70 P C 0.725 177.958 177.300 -0.112 0.000 1.200 70 P CA 0.346 63.480 63.100 0.056 0.000 0.772 70 P CB 0.747 32.468 31.700 0.035 0.000 0.855 71 I N 2.151 122.650 120.570 -0.119 0.000 2.208 71 I HA -0.314 3.857 4.170 0.002 0.000 0.245 71 I C 2.383 178.552 176.117 0.086 0.000 1.097 71 I CA 1.935 63.197 61.300 -0.063 0.000 1.363 71 I CB -0.768 37.191 38.000 -0.068 0.000 1.051 71 I HN 0.468 nan 8.210 nan 0.000 0.413 72 K N 1.694 122.128 120.400 0.056 0.000 2.211 72 K HA -0.238 4.083 4.320 0.002 0.000 0.204 72 K C 2.017 178.665 176.600 0.079 0.000 1.047 72 K CA 1.639 57.983 56.287 0.095 0.000 0.935 72 K CB -0.316 32.180 32.500 -0.007 0.000 0.728 72 K HN 0.140 nan 8.250 nan 0.000 0.452 73 K N 0.849 121.207 120.400 -0.069 0.000 2.097 73 K HA -0.159 4.162 4.320 0.002 0.000 0.206 73 K C 1.908 178.442 176.600 -0.110 0.000 1.049 73 K CA 1.465 57.677 56.287 -0.125 0.000 0.933 73 K CB -0.079 32.300 32.500 -0.201 0.000 0.717 73 K HN 0.330 nan 8.250 nan 0.000 0.442 74 H N -0.985 118.063 119.070 -0.036 0.000 2.457 74 H HA -0.058 4.499 4.556 0.002 0.000 0.294 74 H C 1.684 176.843 175.328 -0.282 0.000 1.064 74 H CA 1.331 57.253 56.048 -0.210 0.000 1.330 74 H CB -0.206 29.341 29.762 -0.360 0.000 1.395 74 H HN 0.234 nan 8.280 nan 0.000 0.541 75 F N 1.126 121.051 119.950 -0.041 0.000 2.367 75 F HA -0.011 4.517 4.527 0.002 0.000 0.298 75 F C 2.383 178.150 175.800 -0.056 0.000 1.094 75 F CA 0.607 58.566 58.000 -0.069 0.000 1.409 75 F CB 0.122 39.075 39.000 -0.079 0.000 1.064 75 F HN 0.133 nan 8.300 nan 0.000 0.528 76 E N -0.533 119.741 120.200 0.122 0.000 2.107 76 E HA -0.118 4.233 4.350 0.002 0.000 0.191 76 E C 2.014 178.627 176.600 0.021 0.000 0.982 76 E CA 1.631 58.063 56.400 0.054 0.000 0.809 76 E CB -0.217 29.500 29.700 0.029 0.000 0.756 76 E HN 0.290 nan 8.360 nan 0.000 0.459 77 T N 0.411 114.968 114.554 0.005 0.000 2.851 77 T HA -0.091 4.260 4.350 0.002 0.000 0.262 77 T C 0.611 175.294 174.700 -0.029 0.000 1.043 77 T CA 0.974 63.066 62.100 -0.012 0.000 1.140 77 T CB 0.000 68.861 68.868 -0.012 0.000 0.872 77 T HN -0.006 nan 8.240 nan 0.000 0.446 78 D N 1.004 121.369 120.400 -0.057 0.000 2.441 78 D HA 0.274 4.915 4.640 0.002 0.000 0.231 78 D C 1.059 177.329 176.300 -0.050 0.000 1.073 78 D CA -0.339 53.615 54.000 -0.077 0.000 0.850 78 D CB 1.160 41.870 40.800 -0.149 0.000 1.062 78 D HN 0.116 nan 8.370 nan 0.000 0.524 79 S N 2.598 118.289 115.700 -0.015 0.000 2.515 79 S HA -0.057 4.414 4.470 0.002 0.000 0.231 79 S C 0.858 175.465 174.600 0.012 0.000 0.987 79 S CA 0.514 58.721 58.200 0.012 0.000 0.936 79 S CB -0.081 63.123 63.200 0.007 0.000 0.766 79 S HN 0.556 nan 8.310 nan 0.000 0.528 80 E N 0.391 120.585 120.200 -0.010 0.000 2.499 80 E HA 0.239 4.590 4.350 0.002 0.000 0.199 80 E C 1.552 178.141 176.600 -0.019 0.000 1.016 80 E CA -0.385 56.013 56.400 -0.003 0.000 0.933 80 E CB 0.168 29.866 29.700 -0.003 0.000 1.050 80 E HN 0.471 nan 8.360 nan 0.000 0.462 81 R N 0.896 121.344 120.500 -0.086 0.000 2.105 81 R HA -0.142 4.199 4.340 0.002 0.000 0.239 81 R C 2.147 178.371 176.300 -0.127 0.000 1.135 81 R CA 1.761 57.719 56.100 -0.236 0.000 0.967 81 R CB -0.323 29.575 30.300 -0.669 0.000 0.861 81 R HN 0.250 nan 8.270 nan 0.000 0.442 82 G N 0.071 108.884 108.800 0.022 0.000 2.442 82 G HA2 -0.285 3.676 3.960 0.002 0.000 0.219 82 G HA3 -0.285 3.676 3.960 0.002 0.000 0.219 82 G C 1.196 176.149 174.900 0.088 0.000 1.141 82 G CA 0.672 45.834 45.100 0.103 0.000 0.763 82 G HN 0.439 nan 8.290 nan 0.000 0.554 83 Q N -0.303 119.539 119.800 0.070 0.000 2.096 83 Q HA 0.076 4.417 4.340 0.002 0.000 0.197 83 Q C 2.767 178.796 176.000 0.049 0.000 0.964 83 Q CA 0.497 56.346 55.803 0.076 0.000 0.838 83 Q CB -0.078 28.688 28.738 0.047 0.000 0.906 83 Q HN 0.367 nan 8.270 nan 0.000 0.444 84 R N -0.219 120.307 120.500 0.043 0.000 2.148 84 R HA -0.080 4.261 4.340 0.002 0.000 0.227 84 R C 0.366 176.636 176.300 -0.049 0.000 1.103 84 R CA 0.868 56.989 56.100 0.035 0.000 0.983 84 R CB 0.134 30.490 30.300 0.093 0.000 0.874 84 R HN 0.210 nan 8.270 nan 0.000 0.451 85 Y N 0.456 120.560 120.300 -0.327 0.000 2.839 85 Y HA 0.225 4.776 4.550 0.002 0.000 0.361 85 Y C -0.151 175.212 175.900 -0.895 0.000 1.008 85 Y CA -0.715 56.933 58.100 -0.752 0.000 1.534 85 Y CB 0.435 38.418 38.460 -0.795 0.000 1.395 85 Y HN -0.076 nan 8.280 nan 0.000 0.534 86 S N -1.183 114.339 115.700 -0.296 0.000 2.547 86 S HA 0.865 5.336 4.470 0.002 0.000 0.270 86 S C -1.474 173.139 174.600 0.022 0.000 1.150 86 S CA -0.806 57.278 58.200 -0.193 0.000 0.850 86 S CB 1.796 64.879 63.200 -0.194 0.000 1.118 86 S HN -0.130 nan 8.310 nan 0.000 0.461 87 V N 1.506 121.424 119.914 0.007 0.000 2.686 87 V HA 0.621 4.742 4.120 0.002 0.000 0.306 87 V C -0.604 175.618 176.094 0.215 0.000 1.065 87 V CA -0.719 61.663 62.300 0.136 0.000 0.894 87 V CB 1.953 33.865 31.823 0.148 0.000 1.004 87 V HN 1.033 nan 8.190 nan 0.000 0.424 88 K N 3.159 123.726 120.400 0.277 0.000 2.307 88 K HA 0.743 5.064 4.320 0.002 0.000 0.263 88 K C -1.517 175.159 176.600 0.127 0.000 0.973 88 K CA -0.444 56.005 56.287 0.270 0.000 0.846 88 K CB 1.815 34.364 32.500 0.081 0.000 1.100 88 K HN 0.533 nan 8.250 nan 0.000 0.438 89 V N 3.230 123.214 119.914 0.116 0.000 2.357 89 V HA 0.171 4.292 4.120 0.002 0.000 0.284 89 V C 0.134 176.298 176.094 0.116 0.000 1.018 89 V CA -0.844 61.467 62.300 0.019 0.000 0.841 89 V CB 1.214 32.895 31.823 -0.236 0.000 0.991 89 V HN 0.857 nan 8.190 nan 0.000 0.437 90 S N 4.452 120.217 115.700 0.109 0.000 2.564 90 S HA 0.326 4.797 4.470 0.002 0.000 0.278 90 S C 0.842 175.502 174.600 0.101 0.000 1.333 90 S CA -0.427 57.857 58.200 0.139 0.000 1.048 90 S CB 0.471 63.732 63.200 0.101 0.000 0.900 90 S HN 0.628 nan 8.310 nan 0.000 0.505 91 L N 4.206 125.491 121.223 0.104 0.000 2.591 91 L HA 0.259 4.600 4.340 0.002 0.000 0.228 91 L C 1.952 178.852 176.870 0.050 0.000 1.133 91 L CA 0.371 55.247 54.840 0.061 0.000 0.880 91 L CB -0.828 41.255 42.059 0.039 0.000 1.033 91 L HN 1.068 nan 8.230 nan 0.000 0.450 92 G N 0.427 109.263 108.800 0.059 0.000 2.168 92 G HA2 -0.308 3.653 3.960 0.002 0.000 0.263 92 G HA3 -0.308 3.653 3.960 0.002 0.000 0.263 92 G C 0.374 175.299 174.900 0.042 0.000 0.977 92 G CA 0.513 45.643 45.100 0.050 0.000 0.659 92 G HN 0.481 nan 8.290 nan 0.000 0.533 93 S N -0.909 114.813 115.700 0.038 0.000 2.672 93 S HA 0.639 5.110 4.470 0.002 0.000 0.276 93 S C 1.193 175.813 174.600 0.034 0.000 1.207 93 S CA -0.027 58.189 58.200 0.027 0.000 1.002 93 S CB 1.746 64.952 63.200 0.010 0.000 0.998 93 S HN 0.311 nan 8.310 nan 0.000 0.542 94 K N 0.641 121.058 120.400 0.028 0.000 2.209 94 K HA -0.113 4.208 4.320 0.002 0.000 0.204 94 K C 1.065 177.686 176.600 0.035 0.000 1.048 94 K CA 1.504 57.809 56.287 0.032 0.000 0.940 94 K CB -0.363 32.154 32.500 0.028 0.000 0.729 94 K HN 0.801 nan 8.250 nan 0.000 0.451 95 D N 0.905 121.324 120.400 0.032 0.000 2.363 95 D HA -0.112 4.529 4.640 0.002 0.000 0.226 95 D C -0.369 175.959 176.300 0.046 0.000 1.020 95 D CA 0.327 54.347 54.000 0.033 0.000 0.892 95 D CB -0.323 40.490 40.800 0.022 0.000 0.900 95 D HN 0.204 nan 8.370 nan 0.000 0.531 96 E N -0.954 119.282 120.200 0.061 0.000 2.513 96 E HA -0.217 4.134 4.350 0.002 0.000 0.257 96 E C -0.353 176.334 176.600 0.145 0.000 1.098 96 E CA 0.189 56.653 56.400 0.107 0.000 0.752 96 E CB -1.730 28.041 29.700 0.118 0.000 1.324 96 E HN 0.297 nan 8.360 nan 0.000 0.403 97 N N 0.518 119.248 118.700 0.050 0.000 2.453 97 N HA 0.390 5.131 4.740 0.002 0.000 0.253 97 N C -0.416 175.122 175.510 0.046 0.000 1.252 97 N CA 0.445 53.451 53.050 -0.073 0.000 0.917 97 N CB 0.442 38.875 38.487 -0.089 0.000 1.117 97 N HN 0.178 nan 8.380 nan 0.000 0.442 98 F N -0.096 119.887 119.950 0.055 0.000 2.715 98 F HA 0.635 5.163 4.527 0.002 0.000 0.318 98 F C -1.642 174.213 175.800 0.092 0.000 1.141 98 F CA -1.350 56.689 58.000 0.064 0.000 0.950 98 F CB 0.745 39.787 39.000 0.070 0.000 1.374 98 F HN 0.158 nan 8.300 nan 0.000 0.477 99 L N 2.526 123.996 121.223 0.412 0.000 2.372 99 L HA 0.602 4.943 4.340 0.002 0.000 0.273 99 L C -2.006 175.137 176.870 0.455 0.000 0.989 99 L CA -0.782 54.251 54.840 0.321 0.000 0.841 99 L CB 1.199 43.341 42.059 0.139 0.000 1.225 99 L HN 0.673 nan 8.230 nan 0.000 0.414 100 F N 6.368 126.541 119.950 0.371 0.000 2.402 100 F HA 0.634 5.162 4.527 0.002 0.000 0.355 100 F C -1.285 174.651 175.800 0.228 0.000 1.123 100 F CA -0.899 57.263 58.000 0.270 0.000 1.021 100 F CB 1.454 40.636 39.000 0.303 0.000 1.160 100 F HN 0.459 nan 8.300 nan 0.000 0.451 101 L N 6.758 127.803 121.223 -0.297 0.000 2.296 101 L HA 0.476 4.817 4.340 0.002 0.000 0.286 101 L C -1.265 175.303 176.870 -0.504 0.000 1.023 101 L CA -0.071 54.626 54.840 -0.238 0.000 0.812 101 L CB 1.104 43.157 42.059 -0.010 0.000 1.223 101 L HN 0.596 nan 8.230 nan 0.000 0.421 102 D N 3.675 123.865 120.400 -0.350 0.000 2.453 102 D HA 0.191 4.832 4.640 0.002 0.000 0.238 102 D C -0.594 175.705 176.300 -0.001 0.000 1.088 102 D CA -0.224 53.606 54.000 -0.283 0.000 0.854 102 D CB 0.782 41.466 40.800 -0.193 0.000 1.076 102 D HN 0.555 nan 8.370 nan 0.000 0.533 103 Y N 1.697 122.000 120.300 0.005 0.000 2.681 103 Y HA 0.228 4.779 4.550 0.002 0.000 0.267 103 Y C 1.578 177.575 175.900 0.162 0.000 1.166 103 Y CA -0.246 57.911 58.100 0.094 0.000 1.209 103 Y CB -0.334 38.182 38.460 0.093 0.000 1.161 103 Y HN 0.189 nan 8.280 nan 0.000 0.534 104 S N 0.414 116.058 115.700 -0.093 0.000 2.423 104 S HA -0.076 4.395 4.470 0.002 0.000 0.231 104 S C 0.835 175.458 174.600 0.038 0.000 1.014 104 S CA 0.349 58.468 58.200 -0.136 0.000 0.965 104 S CB -0.379 62.741 63.200 -0.134 0.000 0.785 104 S HN 0.474 nan 8.310 nan 0.000 0.495 105 K N 3.080 123.593 120.400 0.189 0.000 2.480 105 K HA 0.246 4.567 4.320 0.002 0.000 0.241 105 K C -0.341 176.359 176.600 0.167 0.000 1.261 105 K CA -0.059 56.355 56.287 0.211 0.000 1.193 105 K CB -0.223 32.326 32.500 0.082 0.000 1.598 105 K HN 0.567 nan 8.250 nan 0.000 0.278 106 S N -0.793 115.014 115.700 0.179 0.000 2.607 106 S HA 0.262 4.733 4.470 0.002 0.000 0.273 106 S C -0.527 174.229 174.600 0.261 0.000 1.148 106 S CA -1.105 57.281 58.200 0.309 0.000 0.833 106 S CB 0.748 64.207 63.200 0.431 0.000 1.130 106 S HN 0.470 nan 8.310 nan 0.000 0.470 107 H N 0.528 119.880 119.070 0.472 0.000 2.768 107 H HA 0.533 5.090 4.556 0.002 0.000 0.228 107 H C -0.761 174.822 175.328 0.425 0.000 1.812 107 H CA 0.111 56.481 56.048 0.538 0.000 1.273 107 H CB -0.700 29.453 29.762 0.651 0.000 1.631 107 H HN 0.362 nan 8.280 nan 0.000 0.526 108 I N 2.065 122.703 120.570 0.112 0.000 2.478 108 I HA 0.169 4.340 4.170 0.002 0.000 0.287 108 I C -0.466 175.373 176.117 -0.463 0.000 1.042 108 I CA -1.055 60.145 61.300 -0.167 0.000 1.067 108 I CB 1.405 39.371 38.000 -0.057 0.000 1.233 108 I HN 0.403 nan 8.210 nan 0.000 0.431 109 N N 3.357 121.770 118.700 -0.478 0.000 2.530 109 N HA 0.290 5.031 4.740 0.002 0.000 0.283 109 N C 0.271 175.669 175.510 -0.186 0.000 1.238 109 N CA -0.676 52.080 53.050 -0.491 0.000 0.971 109 N CB 0.546 38.711 38.487 -0.536 0.000 1.195 109 N HN 0.306 nan 8.380 nan 0.000 0.583 110 D N -0.290 120.037 120.400 -0.122 0.000 2.182 110 D HA -0.143 4.498 4.640 0.002 0.000 0.201 110 D C 1.125 177.346 176.300 -0.132 0.000 0.986 110 D CA 1.262 55.217 54.000 -0.075 0.000 0.847 110 D CB 0.004 40.766 40.800 -0.064 0.000 0.942 110 D HN 0.650 nan 8.370 nan 0.000 0.467 111 E N -0.070 120.029 120.200 -0.168 0.000 2.072 111 E HA -0.103 4.248 4.350 0.002 0.000 0.191 111 E C 2.333 178.838 176.600 -0.158 0.000 0.985 111 E CA 0.466 56.789 56.400 -0.129 0.000 0.801 111 E CB 0.001 29.650 29.700 -0.086 0.000 0.750 111 E HN 0.321 nan 8.360 nan 0.000 0.452 112 I N 1.081 121.508 120.570 -0.238 0.000 2.252 112 I HA -0.255 3.916 4.170 0.002 0.000 0.245 112 I C 2.597 178.473 176.117 -0.402 0.000 1.102 112 I CA 1.001 62.051 61.300 -0.417 0.000 1.385 112 I CB -0.150 37.456 38.000 -0.658 0.000 1.064 112 I HN 0.001 nan 8.210 nan 0.000 0.414 113 K N 0.532 120.760 120.400 -0.287 0.000 2.063 113 K HA -0.212 4.109 4.320 0.002 0.000 0.208 113 K C 2.272 178.753 176.600 -0.199 0.000 1.048 113 K CA 1.895 58.042 56.287 -0.233 0.000 0.928 113 K CB -0.146 32.234 32.500 -0.201 0.000 0.713 113 K HN 0.368 nan 8.250 nan 0.000 0.442 114 C N 0.138 119.338 119.300 -0.167 0.000 2.440 114 C HA 0.026 4.487 4.460 0.002 0.000 0.278 114 C C 2.793 177.714 174.990 -0.114 0.000 1.295 114 C CA 0.717 59.659 59.018 -0.126 0.000 1.738 114 C CB -0.779 26.901 27.740 -0.100 0.000 1.987 114 C HN 0.628 nan 8.230 nan 0.000 0.492 115 A N 0.092 122.829 122.820 -0.138 0.000 1.968 115 A HA 0.011 4.332 4.320 0.002 0.000 0.217 115 A C 2.085 179.600 177.584 -0.115 0.000 1.169 115 A CA 1.099 53.066 52.037 -0.117 0.000 0.638 115 A CB -0.461 18.455 19.000 -0.140 0.000 0.812 115 A HN 0.597 nan 8.150 nan 0.000 0.446 116 L N -0.669 120.452 121.223 -0.171 0.000 2.093 116 L HA -0.105 4.236 4.340 0.002 0.000 0.208 116 L C 2.406 179.231 176.870 -0.075 0.000 1.085 116 L CA 0.823 55.587 54.840 -0.127 0.000 0.755 116 L CB -0.362 41.585 42.059 -0.187 0.000 0.904 116 L HN 0.365 nan 8.230 nan 0.000 0.435 117 L N -0.836 120.328 121.223 -0.098 0.000 2.156 117 L HA -0.163 4.178 4.340 0.002 0.000 0.208 117 L C 2.718 179.558 176.870 -0.051 0.000 1.095 117 L CA 0.902 55.694 54.840 -0.081 0.000 0.770 117 L CB -0.409 41.591 42.059 -0.099 0.000 0.914 117 L HN 0.220 nan 8.230 nan 0.000 0.439 118 R N 0.130 120.605 120.500 -0.042 0.000 2.115 118 R HA -0.157 4.184 4.340 0.002 0.000 0.226 118 R C 2.255 178.565 176.300 0.016 0.000 1.100 118 R CA 0.933 57.023 56.100 -0.016 0.000 0.980 118 R CB -0.075 30.217 30.300 -0.014 0.000 0.875 118 R HN 0.188 nan 8.270 nan 0.000 0.445 119 L N 0.428 121.673 121.223 0.037 0.000 2.056 119 L HA -0.028 4.313 4.340 0.002 0.000 0.207 119 L C 2.115 179.024 176.870 0.066 0.000 1.078 119 L CA 2.048 56.948 54.840 0.099 0.000 0.749 119 L CB -0.554 41.606 42.059 0.169 0.000 0.901 119 L HN 0.134 nan 8.230 nan 0.000 0.433 120 A N -0.959 121.876 122.820 0.025 0.000 1.969 120 A HA -0.234 4.087 4.320 0.002 0.000 0.218 120 A C 2.324 179.903 177.584 -0.009 0.000 1.169 120 A CA 1.690 53.727 52.037 0.000 0.000 0.635 120 A CB -0.627 18.360 19.000 -0.023 0.000 0.810 120 A HN 0.621 nan 8.150 nan 0.000 0.445 121 E N -0.428 119.765 120.200 -0.012 0.000 2.072 121 E HA -0.178 4.173 4.350 0.002 0.000 0.190 121 E C 1.951 178.550 176.600 -0.000 0.000 0.982 121 E CA 1.067 57.457 56.400 -0.017 0.000 0.803 121 E CB -0.106 29.580 29.700 -0.022 0.000 0.755 121 E HN 0.719 nan 8.360 nan 0.000 0.453 122 E N -0.254 119.956 120.200 0.017 0.000 2.150 122 E HA -0.110 4.241 4.350 0.002 0.000 0.193 122 E C 1.746 178.361 176.600 0.024 0.000 0.985 122 E CA 0.452 56.870 56.400 0.029 0.000 0.814 122 E CB 0.250 29.982 29.700 0.054 0.000 0.752 122 E HN 0.032 nan 8.360 nan 0.000 0.466 123 R N -0.466 120.047 120.500 0.021 0.000 2.310 123 R HA 0.061 4.402 4.340 0.002 0.000 0.202 123 R C 0.742 177.038 176.300 -0.005 0.000 0.933 123 R CA 0.645 56.746 56.100 0.002 0.000 1.054 123 R CB 0.224 30.520 30.300 -0.007 0.000 0.985 123 R HN 0.222 nan 8.270 nan 0.000 0.489 124 G N 2.228 111.032 108.800 0.006 0.000 2.314 124 G HA2 -0.220 3.741 3.960 0.002 0.000 0.292 124 G HA3 -0.220 3.741 3.960 0.002 0.000 0.292 124 G C 0.825 175.753 174.900 0.045 0.000 1.059 124 G CA 0.059 45.171 45.100 0.020 0.000 0.982 124 G HN 0.199 nan 8.290 nan 0.000 0.505 125 I N 0.010 120.591 120.570 0.019 0.000 2.226 125 I HA -0.116 4.055 4.170 0.002 0.000 0.245 125 I C 2.730 178.855 176.117 0.014 0.000 1.100 125 I CA 1.975 63.302 61.300 0.046 0.000 1.374 125 I CB -0.958 37.047 38.000 0.009 0.000 1.057 125 I HN 0.562 nan 8.210 nan 0.000 0.413 126 R N 0.934 121.391 120.500 -0.071 0.000 2.083 126 R HA -0.238 4.103 4.340 0.002 0.000 0.237 126 R C 2.268 178.496 176.300 -0.119 0.000 1.137 126 R CA 1.851 57.859 56.100 -0.154 0.000 0.951 126 R CB -0.040 30.171 30.300 -0.147 0.000 0.851 126 R HN 0.365 nan 8.270 nan 0.000 0.434 127 Q N -0.745 119.032 119.800 -0.038 0.000 2.119 127 Q HA -0.125 4.216 4.340 0.002 0.000 0.201 127 Q C 1.694 177.711 176.000 0.029 0.000 0.972 127 Q CA 1.575 57.369 55.803 -0.016 0.000 0.847 127 Q CB -0.240 28.507 28.738 0.016 0.000 0.903 127 Q HN 0.326 nan 8.270 nan 0.000 0.433 128 F N 0.001 119.923 119.950 -0.047 0.000 2.146 128 F HA -0.161 4.367 4.527 0.002 0.000 0.298 128 F C 1.769 177.570 175.800 0.002 0.000 1.096 128 F CA 0.842 58.843 58.000 0.002 0.000 1.275 128 F CB -0.107 38.917 39.000 0.041 0.000 1.008 128 F HN -0.161 nan 8.300 nan 0.000 0.480 129 V N 0.387 120.284 119.914 -0.028 0.000 2.295 129 V HA -0.292 3.829 4.120 0.002 0.000 0.246 129 V C 2.444 178.374 176.094 -0.273 0.000 1.049 129 V CA 1.904 64.095 62.300 -0.182 0.000 1.024 129 V CB -0.742 30.802 31.823 -0.465 0.000 0.648 129 V HN 0.325 nan 8.190 nan 0.000 0.447 130 Q N -0.222 119.418 119.800 -0.268 0.000 2.170 130 Q HA -0.132 4.208 4.340 0.002 0.000 0.203 130 Q C 2.505 178.432 176.000 -0.122 0.000 0.976 130 Q CA 1.785 57.463 55.803 -0.208 0.000 0.858 130 Q CB -0.518 28.115 28.738 -0.176 0.000 0.907 130 Q HN 0.626 nan 8.270 nan 0.000 0.433 131 S N 0.188 115.792 115.700 -0.160 0.000 2.368 131 S HA -0.069 4.402 4.470 0.002 0.000 0.224 131 S C 2.182 176.655 174.600 -0.211 0.000 1.029 131 S CA 0.885 58.981 58.200 -0.174 0.000 0.988 131 S CB -0.081 63.000 63.200 -0.198 0.000 0.838 131 S HN 0.133 nan 8.310 nan 0.000 0.462 132 V N 1.067 120.815 119.914 -0.278 0.000 2.307 132 V HA -0.129 3.992 4.120 0.002 0.000 0.245 132 V C 1.934 177.963 176.094 -0.109 0.000 1.045 132 V CA 1.626 63.777 62.300 -0.247 0.000 1.024 132 V CB -0.776 30.926 31.823 -0.202 0.000 0.651 132 V HN 0.387 nan 8.190 nan 0.000 0.449 133 F N 1.090 120.882 119.950 -0.263 0.000 2.269 133 F HA -0.105 4.423 4.527 0.002 0.000 0.301 133 F C 2.459 178.131 175.800 -0.214 0.000 1.082 133 F CA 1.630 59.495 58.000 -0.224 0.000 1.360 133 F CB -0.489 38.403 39.000 -0.179 0.000 1.041 133 F HN 0.220 nan 8.300 nan 0.000 0.512 134 R N -0.053 120.437 120.500 -0.016 0.000 2.297 134 R HA 0.314 4.655 4.340 0.002 0.000 0.197 134 R C 1.287 177.515 176.300 -0.121 0.000 0.943 134 R CA 0.898 56.963 56.100 -0.059 0.000 1.038 134 R CB -0.269 30.011 30.300 -0.032 0.000 0.957 134 R HN 0.197 nan 8.270 nan 0.000 0.484 135 G N 0.790 109.480 108.800 -0.185 0.000 2.134 135 G HA2 -0.255 3.706 3.960 0.002 0.000 0.209 135 G HA3 -0.255 3.706 3.960 0.002 0.000 0.209 135 G C -0.511 174.294 174.900 -0.159 0.000 0.993 135 G CA -0.087 44.873 45.100 -0.232 0.000 0.669 135 G HN 0.472 nan 8.290 nan 0.000 0.519 136 E N -0.049 120.074 120.200 -0.129 0.000 2.398 136 E HA 0.296 4.647 4.350 0.002 0.000 0.263 136 E C 0.699 177.252 176.600 -0.079 0.000 1.046 136 E CA -0.418 55.930 56.400 -0.087 0.000 0.908 136 E CB 0.489 30.141 29.700 -0.080 0.000 0.963 136 E HN 0.302 nan 8.360 nan 0.000 0.431 137 R N 1.929 122.415 120.500 -0.024 0.000 3.688 137 R HA -0.018 4.323 4.340 0.002 0.000 0.194 137 R C 1.227 177.555 176.300 0.047 0.000 1.677 137 R CA -0.162 55.948 56.100 0.018 0.000 1.351 137 R CB -0.453 29.877 30.300 0.051 0.000 1.338 137 R HN 0.393 nan 8.270 nan 0.000 0.731 138 V N -1.574 118.347 119.914 0.011 0.000 2.809 138 V HA -0.083 4.038 4.120 0.002 0.000 0.256 138 V C 0.943 177.172 176.094 0.225 0.000 1.080 138 V CA 0.904 63.256 62.300 0.086 0.000 1.102 138 V CB -0.335 31.425 31.823 -0.104 0.000 0.705 138 V HN 0.384 nan 8.190 nan 0.000 0.475 139 N N 2.413 121.223 118.700 0.184 0.000 2.739 139 N HA 0.057 4.798 4.740 0.002 0.000 0.266 139 N C 1.256 176.905 175.510 0.232 0.000 1.168 139 N CA 0.813 54.024 53.050 0.268 0.000 1.055 139 N CB 0.442 39.072 38.487 0.238 0.000 1.393 139 N HN 0.678 nan 8.380 nan 0.000 0.514 140 T N -1.454 113.244 114.554 0.240 0.000 2.833 140 T HA -0.197 4.154 4.350 0.002 0.000 0.269 140 T C 1.784 176.613 174.700 0.216 0.000 1.054 140 T CA 1.858 64.079 62.100 0.202 0.000 1.135 140 T CB -0.659 68.320 68.868 0.186 0.000 0.869 140 T HN 0.454 nan 8.240 nan 0.000 0.466 141 T N 0.158 114.882 114.554 0.284 0.000 2.904 141 T HA 0.037 4.388 4.350 0.002 0.000 0.267 141 T C 1.692 176.642 174.700 0.417 0.000 1.059 141 T CA 1.015 63.328 62.100 0.355 0.000 1.137 141 T CB -0.314 68.897 68.868 0.571 0.000 0.879 141 T HN 0.581 nan 8.240 nan 0.000 0.467 142 E N 0.598 121.013 120.200 0.359 0.000 2.489 142 E HA 0.186 4.537 4.350 0.002 0.000 0.204 142 E C 0.146 176.871 176.600 0.209 0.000 1.006 142 E CA -0.300 56.280 56.400 0.301 0.000 0.936 142 E CB 0.114 29.939 29.700 0.207 0.000 1.002 142 E HN 0.425 nan 8.360 nan 0.000 0.488 143 N N 1.953 120.766 118.700 0.189 0.000 2.714 143 N HA -0.203 4.538 4.740 0.002 0.000 0.253 143 N C -1.313 174.278 175.510 0.134 0.000 1.024 143 N CA 0.661 53.798 53.050 0.145 0.000 0.726 143 N CB -0.741 37.821 38.487 0.125 0.000 0.908 143 N HN 0.126 nan 8.380 nan 0.000 0.542 144 R N -0.229 120.356 120.500 0.142 0.000 2.807 144 R HA 0.583 4.924 4.340 0.002 0.000 0.276 144 R C -2.482 173.884 176.300 0.111 0.000 0.979 144 R CA -1.854 54.334 56.100 0.146 0.000 0.928 144 R CB 1.657 32.059 30.300 0.170 0.000 1.191 144 R HN 0.080 nan 8.270 nan 0.000 0.471 145 P HA 0.157 nan 4.420 nan 0.000 0.276 145 P C -0.940 176.362 177.300 0.003 0.000 1.261 145 P CA -0.473 62.622 63.100 -0.008 0.000 0.800 145 P CB 0.702 32.342 31.700 -0.100 0.000 1.066 146 V N 2.337 122.149 119.914 -0.171 0.000 2.327 146 V HA 0.243 4.364 4.120 0.002 0.000 0.272 146 V C 0.132 176.027 176.094 -0.331 0.000 1.019 146 V CA 0.026 62.166 62.300 -0.267 0.000 0.814 146 V CB 0.309 31.714 31.823 -0.696 0.000 1.040 146 V HN 0.419 nan 8.190 nan 0.000 0.440 147 L N 4.789 125.938 121.223 -0.123 0.000 3.096 147 L HA 0.319 4.660 4.340 0.002 0.000 0.272 147 L C 1.780 178.625 176.870 -0.041 0.000 1.311 147 L CA -0.292 54.368 54.840 -0.300 0.000 0.943 147 L CB 0.041 41.664 42.059 -0.727 0.000 1.348 147 L HN 0.770 nan 8.230 nan 0.000 0.562 148 H N -0.071 119.027 119.070 0.047 0.000 2.491 148 H HA -0.107 4.450 4.556 0.002 0.000 0.290 148 H C 1.946 177.235 175.328 -0.065 0.000 1.050 148 H CA 1.383 57.517 56.048 0.144 0.000 1.309 148 H CB -0.268 29.629 29.762 0.224 0.000 1.392 148 H HN 0.627 nan 8.280 nan 0.000 0.554 149 I N -0.192 120.087 120.570 -0.485 0.000 2.614 149 I HA 0.070 4.241 4.170 0.002 0.000 0.258 149 I C 2.582 178.516 176.117 -0.304 0.000 1.189 149 I CA 1.211 62.228 61.300 -0.473 0.000 1.462 149 I CB -0.372 37.097 38.000 -0.886 0.000 1.092 149 I HN 0.141 nan 8.210 nan 0.000 0.442 150 A N 1.605 124.262 122.820 -0.271 0.000 1.968 150 A HA 0.068 4.389 4.320 0.002 0.000 0.217 150 A C 2.269 179.836 177.584 -0.028 0.000 1.169 150 A CA 1.357 53.267 52.037 -0.211 0.000 0.638 150 A CB -0.938 17.827 19.000 -0.391 0.000 0.812 150 A HN 0.543 nan 8.150 nan 0.000 0.446 151 L N -0.304 120.992 121.223 0.122 0.000 2.191 151 L HA -0.125 4.216 4.340 0.002 0.000 0.212 151 L C 2.318 179.269 176.870 0.135 0.000 1.103 151 L CA 1.414 56.401 54.840 0.244 0.000 0.769 151 L CB -0.306 41.998 42.059 0.408 0.000 0.908 151 L HN 0.537 nan 8.230 nan 0.000 0.438 152 R N -0.710 119.780 120.500 -0.017 0.000 2.613 152 R HA 0.100 4.441 4.340 0.002 0.000 0.361 152 R C 0.117 176.307 176.300 -0.183 0.000 1.072 152 R CA -0.221 55.826 56.100 -0.089 0.000 1.089 152 R CB -0.675 29.494 30.300 -0.217 0.000 1.343 152 R HN 0.027 nan 8.270 nan 0.000 0.571 153 N N 2.312 120.897 118.700 -0.192 0.000 2.671 153 N HA 0.013 4.754 4.740 0.002 0.000 0.274 153 N C 0.510 175.743 175.510 -0.461 0.000 1.188 153 N CA -0.170 52.680 53.050 -0.335 0.000 1.065 153 N CB 0.550 38.934 38.487 -0.171 0.000 1.415 153 N HN 0.057 nan 8.380 nan 0.000 0.511 154 R N 0.702 120.697 120.500 -0.841 0.000 2.189 154 R HA -0.068 4.273 4.340 0.002 0.000 0.223 154 R C 1.774 177.904 176.300 -0.282 0.000 1.092 154 R CA 0.951 56.774 56.100 -0.461 0.000 0.989 154 R CB -1.018 29.074 30.300 -0.347 0.000 0.876 154 R HN 0.658 nan 8.270 nan 0.000 0.457 155 S N 0.308 115.832 115.700 -0.294 0.000 2.453 155 S HA -0.118 4.353 4.470 0.002 0.000 0.231 155 S C 0.631 175.200 174.600 -0.051 0.000 1.005 155 S CA 0.743 58.921 58.200 -0.037 0.000 0.949 155 S CB -0.369 62.900 63.200 0.114 0.000 0.774 155 S HN 0.469 nan 8.310 nan 0.000 0.510 156 N N 0.766 119.407 118.700 -0.099 0.000 2.741 156 N HA -0.203 4.538 4.740 0.002 0.000 0.251 156 N C -0.169 175.295 175.510 -0.076 0.000 1.112 156 N CA 0.691 53.691 53.050 -0.083 0.000 0.750 156 N CB -1.272 37.182 38.487 -0.055 0.000 1.119 156 N HN 0.834 nan 8.380 nan 0.000 0.561 157 R N 0.836 121.299 120.500 -0.062 0.000 2.590 157 R HA 0.281 4.621 4.340 0.002 0.000 0.274 157 R C -2.467 173.755 176.300 -0.130 0.000 1.061 157 R CA -1.019 55.046 56.100 -0.059 0.000 1.081 157 R CB 0.070 30.360 30.300 -0.018 0.000 0.984 157 R HN -0.025 nan 8.270 nan 0.000 0.448 158 P HA 0.048 nan 4.420 nan 0.000 0.268 158 P C -0.688 176.329 177.300 -0.472 0.000 1.204 158 P CA 0.196 63.069 63.100 -0.378 0.000 0.768 158 P CB 0.658 32.120 31.700 -0.397 0.000 0.842 159 I N 4.013 124.220 120.570 -0.604 0.000 2.439 159 I HA 0.272 4.443 4.170 0.002 0.000 0.285 159 I C -0.331 175.424 176.117 -0.603 0.000 1.021 159 I CA -0.961 60.048 61.300 -0.484 0.000 1.091 159 I CB 1.186 38.944 38.000 -0.402 0.000 1.242 159 I HN 0.249 nan 8.210 nan 0.000 0.439 160 Y N 5.343 125.530 120.300 -0.189 0.000 2.323 160 Y HA 0.612 5.163 4.550 0.001 0.000 0.331 160 Y C 0.044 175.829 175.900 -0.192 0.000 1.092 160 Y CA -0.875 57.125 58.100 -0.167 0.000 1.150 160 Y CB 1.565 39.960 38.460 -0.109 0.000 1.200 160 Y HN 0.162 nan 8.280 nan 0.000 0.472 161 V N 3.234 123.133 119.914 -0.024 0.000 2.569 161 V HA 0.223 4.344 4.120 0.002 0.000 0.301 161 V C -0.686 175.430 176.094 0.037 0.000 1.044 161 V CA -1.231 61.041 62.300 -0.046 0.000 0.874 161 V CB 1.634 33.381 31.823 -0.127 0.000 1.002 161 V HN 0.918 nan 8.190 nan 0.000 0.424 162 D N 3.770 124.196 120.400 0.043 0.000 2.945 162 D HA -0.191 4.450 4.640 0.002 0.000 0.225 162 D C 1.286 177.614 176.300 0.047 0.000 1.158 162 D CA 1.800 55.829 54.000 0.048 0.000 0.805 162 D CB -1.119 39.719 40.800 0.064 0.000 1.098 162 D HN 1.558 nan 8.370 nan 0.000 0.426 163 G N -0.402 108.429 108.800 0.052 0.000 2.148 163 G HA2 -0.358 3.603 3.960 0.002 0.000 0.254 163 G HA3 -0.358 3.603 3.960 0.002 0.000 0.254 163 G C 0.215 175.196 174.900 0.135 0.000 0.981 163 G CA 0.903 46.024 45.100 0.035 0.000 0.670 163 G HN 0.608 nan 8.290 nan 0.000 0.528 164 K N 0.638 121.150 120.400 0.186 0.000 2.345 164 K HA 0.547 4.868 4.320 0.002 0.000 0.255 164 K C -0.602 176.052 176.600 0.090 0.000 0.934 164 K CA -0.928 55.458 56.287 0.165 0.000 0.801 164 K CB 1.306 33.852 32.500 0.077 0.000 1.137 164 K HN 0.012 nan 8.250 nan 0.000 0.424 165 D N 3.083 123.467 120.400 -0.027 0.000 2.417 165 D HA -0.029 4.612 4.640 0.002 0.000 0.250 165 D C 0.947 177.104 176.300 -0.238 0.000 1.166 165 D CA -0.016 53.763 54.000 -0.368 0.000 0.881 165 D CB 1.203 41.777 40.800 -0.377 0.000 1.164 165 D HN 0.346 nan 8.370 nan 0.000 0.467 166 V N 2.212 121.937 119.914 -0.316 0.000 3.129 166 V HA -0.079 4.042 4.120 0.002 0.000 0.259 166 V C 1.956 177.907 176.094 -0.239 0.000 1.116 166 V CA 0.288 62.420 62.300 -0.281 0.000 1.127 166 V CB -0.467 31.112 31.823 -0.407 0.000 0.742 166 V HN 0.446 nan 8.190 nan 0.000 0.474 167 M N 0.869 120.335 119.600 -0.223 0.000 2.149 167 M HA -0.007 4.474 4.480 0.002 0.000 0.261 167 M C 0.188 176.451 176.300 -0.063 0.000 1.064 167 M CA 1.642 56.858 55.300 -0.140 0.000 1.102 167 M CB -2.642 29.870 32.600 -0.147 0.000 1.369 167 M HN 0.346 nan 8.290 nan 0.000 0.408 168 P HA -0.047 nan 4.420 nan 0.000 0.217 168 P C 1.328 178.657 177.300 0.050 0.000 1.150 168 P CA 1.830 64.931 63.100 0.003 0.000 0.832 168 P CB -0.115 31.585 31.700 0.001 0.000 0.787 169 A N -0.786 122.055 122.820 0.035 0.000 1.929 169 A HA -0.111 4.210 4.320 0.002 0.000 0.216 169 A C 2.292 180.034 177.584 0.264 0.000 1.176 169 A CA 1.440 53.567 52.037 0.150 0.000 0.628 169 A CB -1.586 17.461 19.000 0.077 0.000 0.816 169 A HN -0.002 nan 8.150 nan 0.000 0.444 170 V N 0.875 120.839 119.914 0.083 0.000 2.295 170 V HA -0.299 3.822 4.120 0.002 0.000 0.246 170 V C 2.108 178.365 176.094 0.273 0.000 1.049 170 V CA 2.387 64.833 62.300 0.243 0.000 1.024 170 V CB -1.097 30.796 31.823 0.116 0.000 0.648 170 V HN 0.665 nan 8.190 nan 0.000 0.447 171 N N -0.436 118.365 118.700 0.167 0.000 2.331 171 N HA -0.159 4.582 4.740 0.002 0.000 0.180 171 N C 1.870 177.477 175.510 0.162 0.000 1.019 171 N CA 0.774 53.918 53.050 0.157 0.000 0.881 171 N CB -0.106 38.441 38.487 0.099 0.000 0.972 171 N HN 0.441 nan 8.380 nan 0.000 0.435 172 K N 0.997 121.494 120.400 0.163 0.000 2.057 172 K HA -0.052 4.268 4.320 0.002 0.000 0.206 172 K C 1.651 178.340 176.600 0.150 0.000 1.050 172 K CA 0.844 57.212 56.287 0.136 0.000 0.935 172 K CB 0.120 32.697 32.500 0.128 0.000 0.715 172 K HN -0.027 nan 8.250 nan 0.000 0.439 173 V N 1.668 121.716 119.914 0.223 0.000 2.453 173 V HA -0.209 3.912 4.120 0.002 0.000 0.247 173 V C 2.243 178.475 176.094 0.230 0.000 1.048 173 V CA 1.336 63.766 62.300 0.216 0.000 1.049 173 V CB -0.305 31.680 31.823 0.270 0.000 0.672 173 V HN 0.312 nan 8.190 nan 0.000 0.457 174 L N 0.163 121.538 121.223 0.253 0.000 2.131 174 L HA -0.208 4.133 4.340 0.002 0.000 0.210 174 L C 2.296 179.307 176.870 0.235 0.000 1.092 174 L CA 2.027 57.031 54.840 0.272 0.000 0.759 174 L CB -0.524 41.730 42.059 0.326 0.000 0.903 174 L HN 0.430 nan 8.230 nan 0.000 0.435 175 D N -0.686 119.810 120.400 0.159 0.000 2.149 175 D HA -0.233 4.408 4.640 0.002 0.000 0.201 175 D C 2.236 178.572 176.300 0.061 0.000 0.972 175 D CA 0.897 54.934 54.000 0.062 0.000 0.835 175 D CB 0.140 40.969 40.800 0.048 0.000 0.966 175 D HN 0.197 nan 8.370 nan 0.000 0.476 176 Q N -0.586 119.273 119.800 0.098 0.000 2.079 176 Q HA -0.156 4.185 4.340 0.002 0.000 0.200 176 Q C 2.116 178.282 176.000 0.275 0.000 0.974 176 Q CA 1.115 56.975 55.803 0.094 0.000 0.840 176 Q CB -0.023 28.693 28.738 -0.036 0.000 0.898 176 Q HN 0.381 nan 8.270 nan 0.000 0.430 177 M N -0.375 119.413 119.600 0.315 0.000 2.175 177 M HA -0.167 4.314 4.480 0.002 0.000 0.264 177 M C 2.347 178.744 176.300 0.161 0.000 1.063 177 M CA 1.448 56.913 55.300 0.275 0.000 1.119 177 M CB -0.241 32.410 32.600 0.084 0.000 1.377 177 M HN 0.132 nan 8.290 nan 0.000 0.415 178 R N -0.234 120.323 120.500 0.096 0.000 2.070 178 R HA -0.174 4.167 4.340 0.002 0.000 0.233 178 R C 2.425 178.708 176.300 -0.029 0.000 1.137 178 R CA 2.098 58.165 56.100 -0.055 0.000 0.945 178 R CB -0.430 29.597 30.300 -0.455 0.000 0.845 178 R HN 0.263 nan 8.270 nan 0.000 0.430 179 S N -0.394 115.318 115.700 0.020 0.000 2.359 179 S HA -0.193 4.278 4.470 0.002 0.000 0.224 179 S C 1.733 176.406 174.600 0.121 0.000 1.035 179 S CA 1.447 59.682 58.200 0.059 0.000 1.018 179 S CB -0.466 62.782 63.200 0.082 0.000 0.876 179 S HN 0.468 nan 8.310 nan 0.000 0.448 180 F N 2.711 122.686 119.950 0.042 0.000 2.113 180 F HA -0.044 4.484 4.527 0.002 0.000 0.297 180 F C 2.691 178.438 175.800 -0.088 0.000 1.103 180 F CA 1.958 59.957 58.000 -0.002 0.000 1.248 180 F CB -0.943 38.119 39.000 0.103 0.000 0.999 180 F HN 0.395 nan 8.300 nan 0.000 0.475 181 S N -0.378 115.252 115.700 -0.118 0.000 2.383 181 S HA -0.198 4.273 4.470 0.002 0.000 0.229 181 S C 1.861 176.337 174.600 -0.207 0.000 1.030 181 S CA 1.320 59.382 58.200 -0.230 0.000 1.002 181 S CB -0.660 62.480 63.200 -0.100 0.000 0.829 181 S HN 0.459 nan 8.310 nan 0.000 0.467 182 E N 1.756 121.887 120.200 -0.116 0.000 2.106 182 E HA -0.011 4.340 4.350 0.002 0.000 0.192 182 E C 2.068 178.614 176.600 -0.091 0.000 0.984 182 E CA 0.942 57.296 56.400 -0.077 0.000 0.806 182 E CB -0.269 29.408 29.700 -0.038 0.000 0.750 182 E HN 0.662 nan 8.360 nan 0.000 0.458 183 K N 0.359 120.695 120.400 -0.107 0.000 2.097 183 K HA -0.078 4.243 4.320 0.002 0.000 0.206 183 K C 2.221 178.767 176.600 -0.090 0.000 1.049 183 K CA 0.998 57.263 56.287 -0.036 0.000 0.933 183 K CB -0.023 32.542 32.500 0.109 0.000 0.717 183 K HN -0.061 nan 8.250 nan 0.000 0.442 184 V N 1.154 120.872 119.914 -0.327 0.000 2.270 184 V HA -0.215 3.906 4.120 0.002 0.000 0.245 184 V C 2.164 178.153 176.094 -0.176 0.000 1.043 184 V CA 1.616 63.723 62.300 -0.322 0.000 1.014 184 V CB -0.415 31.049 31.823 -0.598 0.000 0.645 184 V HN 0.251 nan 8.190 nan 0.000 0.447 185 R N 0.600 120.999 120.500 -0.168 0.000 2.096 185 R HA -0.138 4.203 4.340 0.002 0.000 0.235 185 R C 2.315 178.575 176.300 -0.068 0.000 1.127 185 R CA 1.922 57.958 56.100 -0.106 0.000 0.968 185 R CB -0.694 29.555 30.300 -0.085 0.000 0.861 185 R HN 0.726 nan 8.270 nan 0.000 0.440 186 T N -3.311 111.210 114.554 -0.055 0.000 3.113 186 T HA 0.152 4.503 4.350 0.002 0.000 0.256 186 T C 1.413 176.099 174.700 -0.024 0.000 1.131 186 T CA 0.592 62.673 62.100 -0.031 0.000 1.074 186 T CB 0.560 69.416 68.868 -0.020 0.000 0.944 186 T HN 0.427 nan 8.240 nan 0.000 0.516 187 G N 1.109 109.894 108.800 -0.024 0.000 2.157 187 G HA2 -0.289 3.672 3.960 0.002 0.000 0.248 187 G HA3 -0.289 3.672 3.960 0.002 0.000 0.248 187 G C 0.572 175.477 174.900 0.008 0.000 0.979 187 G CA 0.442 45.536 45.100 -0.011 0.000 0.650 187 G HN 0.553 nan 8.290 nan 0.000 0.529 188 E N -0.996 119.217 120.200 0.021 0.000 2.107 188 E HA -0.048 4.303 4.350 0.002 0.000 0.191 188 E C 0.718 177.348 176.600 0.050 0.000 0.982 188 E CA -0.028 56.389 56.400 0.029 0.000 0.809 188 E CB 0.010 29.733 29.700 0.038 0.000 0.756 188 E HN 0.535 nan 8.360 nan 0.000 0.459 189 W N 2.930 124.171 121.300 -0.098 0.000 2.419 189 W HA 0.080 4.740 4.660 0.001 0.000 0.312 189 W C -0.535 175.935 176.519 -0.081 0.000 1.323 189 W CA -0.096 57.194 57.345 -0.091 0.000 1.293 189 W CB 0.503 29.860 29.460 -0.171 0.000 1.324 189 W HN -0.171 nan 8.180 nan 0.000 0.512 190 K N 4.272 124.490 120.400 -0.303 0.000 2.156 190 K HA 0.507 4.828 4.320 0.002 0.000 0.250 190 K C 0.482 176.948 176.600 -0.223 0.000 0.955 190 K CA -0.606 55.572 56.287 -0.182 0.000 0.855 190 K CB 1.461 33.864 32.500 -0.161 0.000 1.101 190 K HN 0.585 nan 8.250 nan 0.000 0.434 191 G N -0.244 108.501 108.800 -0.092 0.000 2.588 191 G HA2 -0.011 3.950 3.960 0.002 0.000 0.281 191 G HA3 -0.011 3.950 3.960 0.002 0.000 0.281 191 G C 0.728 175.666 174.900 0.063 0.000 1.236 191 G CA 0.004 45.019 45.100 -0.141 0.000 0.969 191 G HN 0.755 nan 8.290 nan 0.000 0.504 192 H N -0.920 118.299 119.070 0.247 0.000 2.422 192 H HA -0.124 4.433 4.556 0.002 0.000 0.298 192 H C 2.549 177.960 175.328 0.138 0.000 1.098 192 H CA 2.245 58.428 56.048 0.224 0.000 1.315 192 H CB 0.105 30.074 29.762 0.344 0.000 1.382 192 H HN 0.449 nan 8.280 nan 0.000 0.523 193 T N -3.973 110.668 114.554 0.144 0.000 3.163 193 T HA 0.299 4.650 4.350 0.002 0.000 0.252 193 T C 1.509 176.219 174.700 0.017 0.000 1.056 193 T CA 0.332 62.459 62.100 0.046 0.000 0.947 193 T CB -0.068 68.872 68.868 0.120 0.000 1.016 193 T HN 0.498 nan 8.240 nan 0.000 0.554 194 G N 1.414 110.215 108.800 0.002 0.000 2.157 194 G HA2 -0.229 3.732 3.960 0.002 0.000 0.248 194 G HA3 -0.229 3.732 3.960 0.002 0.000 0.248 194 G C -0.067 174.831 174.900 -0.004 0.000 0.979 194 G CA -0.109 44.978 45.100 -0.021 0.000 0.650 194 G HN 0.639 nan 8.290 nan 0.000 0.529 195 K N 0.598 121.014 120.400 0.027 0.000 2.144 195 K HA 0.668 4.989 4.320 0.002 0.000 0.270 195 K C 0.822 177.434 176.600 0.021 0.000 1.005 195 K CA 0.045 56.350 56.287 0.030 0.000 0.932 195 K CB 1.375 33.909 32.500 0.057 0.000 1.021 195 K HN 0.463 nan 8.250 nan 0.000 0.462 196 A N 2.904 125.730 122.820 0.011 0.000 2.386 196 A HA 0.206 4.527 4.320 0.002 0.000 0.248 196 A C 0.173 177.764 177.584 0.010 0.000 1.082 196 A CA -0.501 51.541 52.037 0.008 0.000 0.789 196 A CB 0.118 19.113 19.000 -0.008 0.000 1.025 196 A HN 0.550 nan 8.150 nan 0.000 0.490 197 I N 2.099 122.676 120.570 0.012 0.000 2.533 197 I HA 0.134 4.305 4.170 0.002 0.000 0.284 197 I C 1.129 177.197 176.117 -0.082 0.000 1.109 197 I CA 0.511 61.801 61.300 -0.018 0.000 1.412 197 I CB 0.360 38.341 38.000 -0.032 0.000 1.396 197 I HN 0.756 nan 8.210 nan 0.000 0.543 198 R N 4.362 124.793 120.500 -0.116 0.000 2.369 198 R HA 0.188 4.529 4.340 0.002 0.000 0.210 198 R C -0.069 175.943 176.300 -0.480 0.000 0.881 198 R CA 0.189 56.124 56.100 -0.276 0.000 1.031 198 R CB 0.607 30.724 30.300 -0.303 0.000 1.184 198 R HN 0.587 nan 8.270 nan 0.000 0.581 199 H N 0.162 119.182 119.070 -0.083 0.000 2.589 199 H HA 0.380 4.937 4.556 0.002 0.000 0.351 199 H C -0.828 174.402 175.328 -0.164 0.000 1.074 199 H CA -0.644 55.361 56.048 -0.072 0.000 1.203 199 H CB 2.765 32.471 29.762 -0.093 0.000 1.558 199 H HN -0.269 nan 8.280 nan 0.000 0.522 200 V N 4.145 124.030 119.914 -0.048 0.000 2.407 200 V HA 0.178 4.299 4.120 0.002 0.000 0.291 200 V C -0.015 175.955 176.094 -0.207 0.000 1.018 200 V CA -0.747 61.445 62.300 -0.181 0.000 0.842 200 V CB 1.751 33.452 31.823 -0.204 0.000 0.996 200 V HN 0.450 nan 8.190 nan 0.000 0.426 201 V N 4.466 124.215 119.914 -0.274 0.000 2.334 201 V HA 0.360 4.481 4.120 0.002 0.000 0.281 201 V C 0.065 176.060 176.094 -0.165 0.000 1.016 201 V CA -0.664 61.503 62.300 -0.221 0.000 0.832 201 V CB 1.458 33.166 31.823 -0.193 0.000 0.999 201 V HN 0.903 nan 8.190 nan 0.000 0.439 202 N N 4.613 123.155 118.700 -0.263 0.000 2.444 202 N HA 0.493 5.234 4.740 0.002 0.000 0.271 202 N C -0.823 174.681 175.510 -0.010 0.000 1.069 202 N CA -0.250 52.726 53.050 -0.123 0.000 0.965 202 N CB 0.773 39.200 38.487 -0.100 0.000 1.092 202 N HN 0.635 nan 8.380 nan 0.000 0.476 203 I N 2.880 123.467 120.570 0.029 0.000 2.382 203 I HA 0.604 4.775 4.170 0.002 0.000 0.285 203 I C 0.529 176.655 176.117 0.015 0.000 1.007 203 I CA -0.527 60.791 61.300 0.031 0.000 1.142 203 I CB 1.331 39.352 38.000 0.035 0.000 1.289 203 I HN 0.615 nan 8.210 nan 0.000 0.453 204 G N 5.922 114.742 108.800 0.033 0.000 2.466 204 G HA2 0.580 4.541 3.960 0.002 0.000 0.291 204 G HA3 0.580 4.541 3.960 0.002 0.000 0.291 204 G C -2.125 172.798 174.900 0.038 0.000 1.460 204 G CA -0.483 44.629 45.100 0.020 0.000 0.791 204 G HN 0.463 nan 8.290 nan 0.000 0.505 205 I N -0.017 120.564 120.570 0.019 0.000 2.828 205 I HA 0.649 4.820 4.170 0.002 0.000 0.302 205 I C 1.091 177.205 176.117 -0.005 0.000 1.101 205 I CA 0.827 62.138 61.300 0.018 0.000 1.031 205 I CB 2.012 40.022 38.000 0.015 0.000 1.231 205 I HN 1.881 nan 8.210 nan 0.000 0.427 206 G N 4.113 112.900 108.800 -0.021 0.000 2.620 206 G HA2 -0.353 3.608 3.960 0.002 0.000 0.315 206 G HA3 -0.353 3.608 3.960 0.002 0.000 0.315 206 G C 0.941 175.800 174.900 -0.068 0.000 1.179 206 G CA 0.496 45.564 45.100 -0.053 0.000 0.971 206 G HN 1.271 nan 8.290 nan 0.000 0.544 207 G N -0.458 108.303 108.800 -0.065 0.000 2.509 207 G HA2 0.209 4.170 3.960 0.002 0.000 0.218 207 G HA3 0.209 4.170 3.960 0.002 0.000 0.218 207 G C 1.550 176.423 174.900 -0.044 0.000 1.124 207 G CA 1.827 46.886 45.100 -0.068 0.000 0.776 207 G HN 1.157 nan 8.290 nan 0.000 0.547 208 S N -0.573 115.115 115.700 -0.020 0.000 2.614 208 S HA 0.231 4.702 4.470 0.002 0.000 0.230 208 S C 0.787 175.391 174.600 0.007 0.000 0.952 208 S CA 0.377 58.571 58.200 -0.011 0.000 0.949 208 S CB 0.312 63.526 63.200 0.023 0.000 0.786 208 S HN 0.605 nan 8.310 nan 0.000 0.478 209 D N 0.083 120.477 120.400 -0.010 0.000 2.690 209 D HA 0.168 4.809 4.640 0.002 0.000 0.235 209 D C 1.487 177.726 176.300 -0.101 0.000 1.327 209 D CA -0.149 53.848 54.000 -0.005 0.000 1.264 209 D CB -0.417 40.396 40.800 0.022 0.000 1.574 209 D HN 0.139 nan 8.370 nan 0.000 0.421 210 L N 0.839 122.012 121.223 -0.083 0.000 2.042 210 L HA 0.045 4.386 4.340 0.002 0.000 0.210 210 L C 2.470 179.334 176.870 -0.011 0.000 1.076 210 L CA 1.733 56.531 54.840 -0.070 0.000 0.749 210 L CB -0.766 41.265 42.059 -0.048 0.000 0.893 210 L HN 0.268 nan 8.230 nan 0.000 0.432 211 G N 0.394 109.222 108.800 0.046 0.000 2.453 211 G HA2 -0.175 3.786 3.960 0.002 0.000 0.215 211 G HA3 -0.175 3.786 3.960 0.002 0.000 0.215 211 G C -0.673 174.061 174.900 -0.276 0.000 1.201 211 G CA 0.619 45.647 45.100 -0.121 0.000 0.784 211 G HN 0.296 nan 8.290 nan 0.000 0.545 212 P HA -0.058 nan 4.420 nan 0.000 0.216 212 P C 2.183 179.243 177.300 -0.400 0.000 1.153 212 P CA 0.874 63.887 63.100 -0.145 0.000 0.858 212 P CB -0.060 31.683 31.700 0.071 0.000 0.789 213 V N -0.399 119.078 119.914 -0.729 0.000 2.270 213 V HA -0.249 3.872 4.120 0.002 0.000 0.245 213 V C 2.434 178.193 176.094 -0.558 0.000 1.043 213 V CA 1.855 63.566 62.300 -0.981 0.000 1.014 213 V CB -1.095 30.235 31.823 -0.822 0.000 0.645 213 V HN 0.168 nan 8.190 nan 0.000 0.447 214 M N 0.536 119.857 119.600 -0.465 0.000 2.080 214 M HA -0.181 4.300 4.480 0.002 0.000 0.260 214 M C 2.147 178.231 176.300 -0.360 0.000 1.068 214 M CA 2.772 57.812 55.300 -0.434 0.000 1.109 214 M CB -0.861 31.460 32.600 -0.465 0.000 1.342 214 M HN 0.330 nan 8.290 nan 0.000 0.405 215 A N -0.064 122.539 122.820 -0.361 0.000 1.898 215 A HA -0.139 4.182 4.320 0.002 0.000 0.216 215 A C 2.140 179.632 177.584 -0.154 0.000 1.181 215 A CA 2.462 54.335 52.037 -0.273 0.000 0.620 215 A CB -1.334 17.486 19.000 -0.300 0.000 0.819 215 A HN 0.719 nan 8.150 nan 0.000 0.442 216 T N -2.560 111.922 114.554 -0.119 0.000 2.867 216 T HA -0.082 4.269 4.350 0.002 0.000 0.268 216 T C 1.554 176.249 174.700 -0.008 0.000 1.057 216 T CA 1.343 63.433 62.100 -0.016 0.000 1.136 216 T CB -0.193 68.741 68.868 0.110 0.000 0.874 216 T HN 0.387 nan 8.240 nan 0.000 0.466 217 E N 1.663 121.837 120.200 -0.044 0.000 2.072 217 E HA 0.128 4.479 4.350 0.002 0.000 0.190 217 E C 2.633 179.285 176.600 0.087 0.000 0.982 217 E CA 1.203 57.643 56.400 0.068 0.000 0.803 217 E CB -0.655 29.048 29.700 0.004 0.000 0.755 217 E HN 0.668 nan 8.360 nan 0.000 0.453 218 A N 0.884 123.695 122.820 -0.014 0.000 1.930 218 A HA -0.075 4.246 4.320 0.002 0.000 0.217 218 A C 1.952 179.497 177.584 -0.064 0.000 1.175 218 A CA 0.901 52.944 52.037 0.010 0.000 0.627 218 A CB -0.315 18.651 19.000 -0.057 0.000 0.815 218 A HN 0.177 nan 8.150 nan 0.000 0.443 219 L N -0.808 120.375 121.223 -0.067 0.000 2.928 219 L HA 0.180 4.521 4.340 0.002 0.000 0.246 219 L C 1.667 178.530 176.870 -0.011 0.000 1.239 219 L CA -0.074 54.785 54.840 0.032 0.000 1.035 219 L CB -0.001 42.074 42.059 0.026 0.000 1.360 219 L HN 0.396 nan 8.230 nan 0.000 0.529 220 K N 1.647 121.900 120.400 -0.245 0.000 2.152 220 K HA -0.140 4.181 4.320 0.002 0.000 0.206 220 K C -0.701 175.714 176.600 -0.308 0.000 1.048 220 K CA 1.330 57.476 56.287 -0.234 0.000 0.933 220 K CB -0.313 32.094 32.500 -0.155 0.000 0.721 220 K HN 0.204 nan 8.250 nan 0.000 0.447 221 P HA -0.094 nan 4.420 nan 0.000 0.223 221 P C 0.143 177.043 177.300 -0.666 0.000 1.151 221 P CA 1.022 63.747 63.100 -0.626 0.000 0.787 221 P CB 0.086 31.240 31.700 -0.909 0.000 0.788 222 F N -1.139 118.723 119.950 -0.147 0.000 2.660 222 F HA 0.152 4.680 4.527 0.002 0.000 0.302 222 F C 1.370 177.127 175.800 -0.070 0.000 1.103 222 F CA -0.307 57.639 58.000 -0.091 0.000 1.340 222 F CB -0.582 38.367 39.000 -0.085 0.000 1.048 222 F HN -0.168 nan 8.300 nan 0.000 0.551 223 S N -0.376 115.333 115.700 0.014 0.000 2.646 223 S HA 0.269 4.740 4.470 0.002 0.000 0.276 223 S C -0.243 174.344 174.600 -0.021 0.000 1.222 223 S CA -0.804 57.399 58.200 0.005 0.000 1.014 223 S CB 1.468 64.659 63.200 -0.015 0.000 0.991 223 S HN 0.311 nan 8.310 nan 0.000 0.533 224 Q N 0.864 120.651 119.800 -0.023 0.000 2.361 224 Q HA 0.232 4.573 4.340 0.002 0.000 0.250 224 Q C 0.798 176.767 176.000 -0.052 0.000 1.023 224 Q CA -0.822 54.958 55.803 -0.037 0.000 0.915 224 Q CB 0.485 29.198 28.738 -0.041 0.000 1.238 224 Q HN 0.603 nan 8.270 nan 0.000 0.451 225 R N 2.256 122.724 120.500 -0.053 0.000 2.193 225 R HA -0.127 4.214 4.340 0.002 0.000 0.229 225 R C 0.735 176.994 176.300 -0.068 0.000 1.110 225 R CA 1.242 57.308 56.100 -0.056 0.000 0.988 225 R CB -0.124 30.146 30.300 -0.050 0.000 0.871 225 R HN 0.731 nan 8.270 nan 0.000 0.458 226 D N -0.325 120.031 120.400 -0.074 0.000 2.349 226 D HA -0.051 4.590 4.640 0.002 0.000 0.224 226 D C 0.364 176.586 176.300 -0.130 0.000 1.029 226 D CA 0.182 54.127 54.000 -0.091 0.000 0.879 226 D CB -0.115 40.639 40.800 -0.076 0.000 0.906 226 D HN 0.092 nan 8.370 nan 0.000 0.528 227 L N 0.914 122.060 121.223 -0.128 0.000 2.276 227 L HA 0.315 4.656 4.340 0.002 0.000 0.286 227 L C -0.288 176.482 176.870 -0.166 0.000 1.024 227 L CA -0.623 54.121 54.840 -0.160 0.000 0.826 227 L CB 1.718 43.697 42.059 -0.134 0.000 1.211 227 L HN -0.175 nan 8.230 nan 0.000 0.422 228 S N 4.605 120.175 115.700 -0.217 0.000 2.489 228 S HA 0.454 4.925 4.470 0.002 0.000 0.277 228 S C -0.180 174.258 174.600 -0.271 0.000 1.230 228 S CA -0.566 57.510 58.200 -0.208 0.000 1.053 228 S CB 0.964 64.099 63.200 -0.108 0.000 0.955 228 S HN 0.290 nan 8.310 nan 0.000 0.488 229 L N 5.062 126.076 121.223 -0.348 0.000 2.289 229 L HA 0.456 4.797 4.340 0.002 0.000 0.285 229 L C 0.064 176.538 176.870 -0.662 0.000 1.049 229 L CA -0.075 54.511 54.840 -0.422 0.000 0.804 229 L CB 0.741 42.665 42.059 -0.225 0.000 1.195 229 L HN 0.680 nan 8.230 nan 0.000 0.428 230 H N 4.060 122.838 119.070 -0.486 0.000 2.637 230 H HA 0.402 4.959 4.556 0.002 0.000 0.363 230 H C -1.310 173.613 175.328 -0.674 0.000 1.131 230 H CA -0.408 55.426 56.048 -0.356 0.000 1.183 230 H CB 2.113 31.755 29.762 -0.201 0.000 1.637 230 H HN 0.301 nan 8.280 nan 0.000 0.531 231 F N 1.438 121.400 119.950 0.020 0.000 2.513 231 F HA 0.228 4.756 4.527 0.002 0.000 0.358 231 F C 0.032 175.691 175.800 -0.236 0.000 1.118 231 F CA -0.765 57.202 58.000 -0.056 0.000 1.037 231 F CB 1.458 40.444 39.000 -0.024 0.000 1.276 231 F HN 0.126 nan 8.300 nan 0.000 0.446 232 V N 3.193 123.041 119.914 -0.111 0.000 2.364 232 V HA 0.304 4.425 4.120 0.002 0.000 0.272 232 V C 0.387 176.461 176.094 -0.033 0.000 1.036 232 V CA 0.261 62.397 62.300 -0.274 0.000 0.880 232 V CB 1.045 32.806 31.823 -0.104 0.000 0.991 232 V HN 0.941 nan 8.190 nan 0.000 0.460 233 S N 3.145 118.925 115.700 0.133 0.000 3.325 233 S HA 0.156 4.627 4.470 0.002 0.000 0.254 233 S C 0.740 175.482 174.600 0.236 0.000 1.084 233 S CA -0.242 58.089 58.200 0.218 0.000 0.786 233 S CB -0.117 63.218 63.200 0.224 0.000 0.849 233 S HN 0.542 nan 8.310 nan 0.000 0.483 234 N N 1.822 120.751 118.700 0.381 0.000 2.492 234 N HA 0.140 4.881 4.740 0.002 0.000 0.260 234 N C 0.770 176.359 175.510 0.131 0.000 1.215 234 N CA 0.284 53.418 53.050 0.141 0.000 0.923 234 N CB 1.510 39.965 38.487 -0.054 0.000 1.092 234 N HN 0.166 nan 8.380 nan 0.000 0.448 235 V N 1.882 121.833 119.914 0.062 0.000 3.041 235 V HA -0.072 4.049 4.120 0.002 0.000 0.260 235 V C 0.340 176.464 176.094 0.050 0.000 1.105 235 V CA 0.549 62.879 62.300 0.050 0.000 1.125 235 V CB -0.690 31.148 31.823 0.025 0.000 0.730 235 V HN 0.692 nan 8.190 nan 0.000 0.479 236 D N 0.654 121.077 120.400 0.038 0.000 2.520 236 D HA 0.037 4.678 4.640 0.002 0.000 0.243 236 D C 1.500 177.837 176.300 0.062 0.000 1.160 236 D CA 0.953 54.972 54.000 0.032 0.000 0.877 236 D CB 1.305 42.103 40.800 -0.003 0.000 1.150 236 D HN 0.289 nan 8.370 nan 0.000 0.494 237 G N 3.316 112.150 108.800 0.056 0.000 2.532 237 G HA2 -0.316 3.645 3.960 0.002 0.000 0.222 237 G HA3 -0.316 3.645 3.960 0.002 0.000 0.222 237 G C 1.485 176.430 174.900 0.075 0.000 1.102 237 G CA 1.226 46.363 45.100 0.061 0.000 0.742 237 G HN 0.588 nan 8.290 nan 0.000 0.577 238 T N -0.528 114.068 114.554 0.071 0.000 2.720 238 T HA -0.136 4.215 4.350 0.002 0.000 0.268 238 T C 1.901 176.690 174.700 0.149 0.000 1.037 238 T CA 1.383 63.531 62.100 0.080 0.000 1.144 238 T CB -0.368 68.529 68.868 0.048 0.000 0.864 238 T HN 0.585 nan 8.240 nan 0.000 0.444 239 H N -0.564 118.532 119.070 0.044 0.000 2.290 239 H HA -0.069 4.488 4.556 0.002 0.000 0.298 239 H C 2.330 177.691 175.328 0.055 0.000 1.087 239 H CA 1.263 57.345 56.048 0.057 0.000 1.291 239 H CB -0.043 29.756 29.762 0.061 0.000 1.369 239 H HN 0.170 nan 8.280 nan 0.000 0.492 240 I N 0.756 121.409 120.570 0.138 0.000 2.439 240 I HA -0.114 4.057 4.170 0.002 0.000 0.251 240 I C 2.400 178.545 176.117 0.048 0.000 1.139 240 I CA 1.226 62.562 61.300 0.060 0.000 1.438 240 I CB -0.575 37.453 38.000 0.048 0.000 1.085 240 I HN 0.253 nan 8.210 nan 0.000 0.427 241 A N 0.026 122.882 122.820 0.061 0.000 1.902 241 A HA -0.168 4.153 4.320 0.002 0.000 0.217 241 A C 2.172 179.777 177.584 0.035 0.000 1.181 241 A CA 1.654 53.717 52.037 0.043 0.000 0.623 241 A CB -0.627 18.400 19.000 0.046 0.000 0.818 241 A HN 0.457 nan 8.150 nan 0.000 0.443 242 E N -0.234 120.000 120.200 0.057 0.000 2.150 242 E HA -0.076 4.275 4.350 0.002 0.000 0.193 242 E C 2.134 178.744 176.600 0.016 0.000 0.985 242 E CA 1.065 57.496 56.400 0.052 0.000 0.814 242 E CB -0.367 29.390 29.700 0.095 0.000 0.752 242 E HN 0.404 nan 8.360 nan 0.000 0.466 243 V N 1.327 121.237 119.914 -0.006 0.000 2.453 243 V HA -0.175 3.946 4.120 0.002 0.000 0.247 243 V C 2.411 178.405 176.094 -0.167 0.000 1.048 243 V CA 1.011 63.245 62.300 -0.111 0.000 1.049 243 V CB -0.361 31.397 31.823 -0.108 0.000 0.672 243 V HN 0.203 nan 8.190 nan 0.000 0.457 244 L N -0.504 120.675 121.223 -0.073 0.000 2.201 244 L HA -0.146 4.195 4.340 0.002 0.000 0.212 244 L C 2.415 179.234 176.870 -0.084 0.000 1.105 244 L CA 1.434 56.235 54.840 -0.065 0.000 0.775 244 L CB -0.507 41.547 42.059 -0.007 0.000 0.913 244 L HN 0.290 nan 8.230 nan 0.000 0.440 245 K N -0.783 119.581 120.400 -0.060 0.000 2.366 245 K HA 0.012 4.333 4.320 0.002 0.000 0.198 245 K C 1.947 178.505 176.600 -0.070 0.000 1.044 245 K CA 0.781 57.041 56.287 -0.044 0.000 0.973 245 K CB 0.199 32.693 32.500 -0.011 0.000 0.767 245 K HN 0.169 nan 8.250 nan 0.000 0.475 246 S N 0.803 116.431 115.700 -0.119 0.000 2.503 246 S HA 0.131 4.602 4.470 0.002 0.000 0.215 246 S C 0.903 175.322 174.600 -0.303 0.000 1.003 246 S CA -0.219 57.905 58.200 -0.127 0.000 0.910 246 S CB 0.020 63.193 63.200 -0.045 0.000 0.790 246 S HN 0.279 nan 8.310 nan 0.000 0.514 247 I N -0.527 119.758 120.570 -0.476 0.000 2.924 247 I HA 0.624 4.795 4.170 0.002 0.000 0.316 247 I C -0.833 174.980 176.117 -0.507 0.000 1.014 247 I CA -0.942 59.858 61.300 -0.832 0.000 1.106 247 I CB 0.994 38.508 38.000 -0.810 0.000 1.311 247 I HN -0.235 nan 8.210 nan 0.000 0.502 248 D N 3.307 123.399 120.400 -0.513 0.000 2.493 248 D HA 0.247 4.888 4.640 0.002 0.000 0.235 248 D C 0.679 176.847 176.300 -0.220 0.000 1.117 248 D CA -0.383 53.485 54.000 -0.220 0.000 0.930 248 D CB 0.816 41.614 40.800 -0.004 0.000 1.010 248 D HN 0.726 nan 8.370 nan 0.000 0.514 249 I N 2.464 122.833 120.570 -0.335 0.000 2.399 249 I HA -0.250 3.921 4.170 0.002 0.000 0.254 249 I C 1.681 177.685 176.117 -0.189 0.000 1.146 249 I CA 1.289 62.417 61.300 -0.287 0.000 1.412 249 I CB 0.311 38.112 38.000 -0.331 0.000 1.076 249 I HN 0.423 nan 8.210 nan 0.000 0.432 250 E N 0.268 120.363 120.200 -0.175 0.000 2.204 250 E HA -0.100 4.251 4.350 0.002 0.000 0.194 250 E C 1.359 178.086 176.600 0.211 0.000 0.989 250 E CA 0.937 57.377 56.400 0.066 0.000 0.824 250 E CB -0.033 29.712 29.700 0.076 0.000 0.756 250 E HN 0.558 nan 8.360 nan 0.000 0.477 251 A N 1.003 123.891 122.820 0.113 0.000 2.713 251 A HA 0.195 4.516 4.320 0.002 0.000 0.296 251 A C -0.114 177.520 177.584 0.085 0.000 1.255 251 A CA -0.258 51.846 52.037 0.112 0.000 0.955 251 A CB 0.428 19.483 19.000 0.092 0.000 1.149 251 A HN -0.074 nan 8.150 nan 0.000 0.538 252 T N 0.632 115.218 114.554 0.053 0.000 2.807 252 T HA 0.519 4.870 4.350 0.002 0.000 0.279 252 T C -0.940 173.639 174.700 -0.202 0.000 0.993 252 T CA -0.310 61.685 62.100 -0.175 0.000 0.970 252 T CB 1.526 70.088 68.868 -0.511 0.000 0.950 252 T HN 0.272 nan 8.240 nan 0.000 0.441 253 L N 3.989 125.027 121.223 -0.308 0.000 2.287 253 L HA 0.684 5.025 4.340 0.002 0.000 0.287 253 L C -1.600 174.993 176.870 -0.462 0.000 1.022 253 L CA -0.528 54.167 54.840 -0.242 0.000 0.814 253 L CB 0.152 42.124 42.059 -0.144 0.000 1.217 253 L HN 0.487 nan 8.230 nan 0.000 0.420 254 F N 5.887 125.644 119.950 -0.321 0.000 2.415 254 F HA 0.526 5.054 4.527 0.001 0.000 0.348 254 F C 0.139 175.777 175.800 -0.269 0.000 1.119 254 F CA -0.361 57.377 58.000 -0.437 0.000 1.069 254 F CB 1.206 39.614 39.000 -0.986 0.000 1.124 254 F HN 0.268 nan 8.300 nan 0.000 0.472 255 I N 4.405 124.984 120.570 0.015 0.000 2.354 255 I HA 0.283 4.454 4.170 0.002 0.000 0.286 255 I C -0.919 175.233 176.117 0.058 0.000 1.007 255 I CA -0.822 60.482 61.300 0.008 0.000 1.167 255 I CB 1.404 39.357 38.000 -0.078 0.000 1.320 255 I HN 0.187 nan 8.210 nan 0.000 0.458 256 V N 6.250 126.234 119.914 0.116 0.000 2.353 256 V HA 0.439 4.560 4.120 0.002 0.000 0.264 256 V C 0.614 176.790 176.094 0.137 0.000 1.049 256 V CA -0.463 61.886 62.300 0.082 0.000 0.896 256 V CB 0.865 32.699 31.823 0.019 0.000 1.025 256 V HN 0.791 nan 8.190 nan 0.000 0.475 257 A N 4.096 126.955 122.820 0.065 0.000 2.249 257 A HA 0.788 5.109 4.320 0.002 0.000 0.314 257 A C 0.086 177.726 177.584 0.094 0.000 1.290 257 A CA -0.311 51.782 52.037 0.094 0.000 0.893 257 A CB 1.010 20.029 19.000 0.033 0.000 1.165 257 A HN 0.829 nan 8.150 nan 0.000 0.530 258 S N 2.009 117.841 115.700 0.220 0.000 2.590 258 S HA 0.236 4.707 4.470 0.002 0.000 0.286 258 S C 0.523 175.310 174.600 0.310 0.000 1.147 258 S CA -0.458 57.855 58.200 0.188 0.000 0.963 258 S CB 1.012 64.198 63.200 -0.022 0.000 1.124 258 S HN 0.809 nan 8.310 nan 0.000 0.458 259 K N 2.155 122.735 120.400 0.301 0.000 2.009 259 K HA -0.125 4.196 4.320 0.002 0.000 0.210 259 K C 1.844 178.428 176.600 -0.027 0.000 1.049 259 K CA 2.558 58.931 56.287 0.144 0.000 0.929 259 K CB -0.422 32.197 32.500 0.199 0.000 0.714 259 K HN 0.784 nan 8.250 nan 0.000 0.440 260 T N -2.799 111.784 114.554 0.048 0.000 2.978 260 T HA -0.048 4.303 4.350 0.002 0.000 0.262 260 T C 0.901 175.687 174.700 0.144 0.000 1.063 260 T CA 0.558 62.684 62.100 0.043 0.000 1.140 260 T CB -0.249 68.638 68.868 0.031 0.000 0.886 260 T HN 0.339 nan 8.240 nan 0.000 0.470 261 F N 2.119 122.042 119.950 -0.044 0.000 3.057 261 F HA -0.278 4.250 4.527 0.002 0.000 0.287 261 F C 1.045 176.830 175.800 -0.025 0.000 0.834 261 F CA 1.048 59.020 58.000 -0.047 0.000 1.147 261 F CB -1.754 37.207 39.000 -0.065 0.000 1.245 261 F HN 0.529 nan 8.300 nan 0.000 0.509 262 T N -5.252 109.310 114.554 0.013 0.000 3.041 262 T HA 0.195 4.546 4.350 0.002 0.000 0.276 262 T C 0.609 175.291 174.700 -0.031 0.000 0.948 262 T CA 0.559 62.661 62.100 0.002 0.000 0.885 262 T CB 0.094 68.985 68.868 0.038 0.000 1.175 262 T HN 0.122 nan 8.240 nan 0.000 0.529 263 T N 3.339 117.861 114.554 -0.053 0.000 2.831 263 T HA 0.055 4.406 4.350 0.002 0.000 0.291 263 T C 1.283 175.949 174.700 -0.055 0.000 0.981 263 T CA 0.126 62.199 62.100 -0.045 0.000 1.174 263 T CB 1.228 70.069 68.868 -0.045 0.000 0.929 263 T HN 0.413 nan 8.240 nan 0.000 0.532 264 Q N 2.645 122.427 119.800 -0.029 0.000 2.096 264 Q HA -0.250 4.091 4.340 0.002 0.000 0.208 264 Q C 1.801 177.786 176.000 -0.025 0.000 0.993 264 Q CA 2.065 57.855 55.803 -0.022 0.000 0.862 264 Q CB 0.038 28.771 28.738 -0.008 0.000 0.915 264 Q HN 0.736 nan 8.270 nan 0.000 0.416 265 E N -0.648 119.540 120.200 -0.021 0.000 2.058 265 E HA -0.162 4.189 4.350 0.002 0.000 0.194 265 E C 2.023 178.609 176.600 -0.025 0.000 0.997 265 E CA 2.001 58.395 56.400 -0.010 0.000 0.801 265 E CB -0.215 29.486 29.700 0.002 0.000 0.746 265 E HN 0.356 nan 8.360 nan 0.000 0.450 266 T N 0.922 115.439 114.554 -0.061 0.000 2.777 266 T HA -0.072 4.279 4.350 0.002 0.000 0.266 266 T C 1.720 176.322 174.700 -0.164 0.000 1.040 266 T CA 0.775 62.808 62.100 -0.111 0.000 1.141 266 T CB -0.064 68.710 68.868 -0.157 0.000 0.868 266 T HN 0.032 nan 8.240 nan 0.000 0.444 267 I N 1.817 122.285 120.570 -0.170 0.000 2.315 267 I HA -0.094 4.077 4.170 0.002 0.000 0.248 267 I C 2.589 178.692 176.117 -0.023 0.000 1.117 267 I CA 1.356 62.571 61.300 -0.142 0.000 1.404 267 I CB -1.771 36.165 38.000 -0.108 0.000 1.071 267 I HN 0.256 nan 8.210 nan 0.000 0.419 268 T N 1.431 115.976 114.554 -0.016 0.000 2.746 268 T HA -0.126 4.225 4.350 0.002 0.000 0.267 268 T C 1.771 176.482 174.700 0.017 0.000 1.039 268 T CA 1.322 63.427 62.100 0.009 0.000 1.142 268 T CB -0.195 68.678 68.868 0.010 0.000 0.866 268 T HN 0.265 nan 8.240 nan 0.000 0.444 269 N N 1.297 120.002 118.700 0.007 0.000 2.142 269 N HA 0.031 4.772 4.740 0.002 0.000 0.186 269 N C 2.145 177.668 175.510 0.021 0.000 1.023 269 N CA 1.258 54.317 53.050 0.016 0.000 0.852 269 N CB -0.523 37.974 38.487 0.017 0.000 0.998 269 N HN 0.414 nan 8.380 nan 0.000 0.424 270 A N 1.201 124.032 122.820 0.019 0.000 1.902 270 A HA -0.041 4.279 4.320 0.002 0.000 0.217 270 A C 2.382 180.112 177.584 0.244 0.000 1.181 270 A CA 0.879 52.973 52.037 0.096 0.000 0.623 270 A CB -0.688 18.226 19.000 -0.144 0.000 0.818 270 A HN 0.209 nan 8.150 nan 0.000 0.443 271 L N -0.554 120.783 121.223 0.190 0.000 2.093 271 L HA -0.131 4.210 4.340 0.002 0.000 0.208 271 L C 2.751 179.619 176.870 -0.003 0.000 1.085 271 L CA 1.364 56.251 54.840 0.079 0.000 0.755 271 L CB -0.300 41.784 42.059 0.042 0.000 0.904 271 L HN 0.316 nan 8.230 nan 0.000 0.435 272 S N -0.277 115.428 115.700 0.008 0.000 2.406 272 S HA -0.062 4.409 4.470 0.002 0.000 0.228 272 S C 2.148 176.722 174.600 -0.044 0.000 1.020 272 S CA 0.989 59.181 58.200 -0.013 0.000 0.965 272 S CB -0.094 63.108 63.200 0.002 0.000 0.798 272 S HN 0.479 nan 8.310 nan 0.000 0.488 273 A N 1.726 124.502 122.820 -0.073 0.000 1.929 273 A HA -0.025 4.296 4.320 0.002 0.000 0.216 273 A C 2.062 179.560 177.584 -0.142 0.000 1.176 273 A CA 1.178 53.058 52.037 -0.261 0.000 0.628 273 A CB -0.427 18.270 19.000 -0.503 0.000 0.816 273 A HN 0.396 nan 8.150 nan 0.000 0.444 274 R N -0.601 119.885 120.500 -0.023 0.000 2.092 274 R HA -0.075 4.266 4.340 0.002 0.000 0.231 274 R C 2.431 178.666 176.300 -0.107 0.000 1.119 274 R CA 1.397 57.400 56.100 -0.162 0.000 0.970 274 R CB -0.241 29.775 30.300 -0.472 0.000 0.864 274 R HN 0.528 nan 8.270 nan 0.000 0.440 275 R N -0.068 120.377 120.500 -0.090 0.000 2.092 275 R HA -0.080 4.261 4.340 0.002 0.000 0.231 275 R C 2.011 178.301 176.300 -0.016 0.000 1.119 275 R CA 1.368 57.433 56.100 -0.059 0.000 0.970 275 R CB -0.182 30.090 30.300 -0.048 0.000 0.864 275 R HN 0.270 nan 8.270 nan 0.000 0.440 276 A N 1.065 123.879 122.820 -0.010 0.000 1.898 276 A HA -0.158 4.163 4.320 0.002 0.000 0.216 276 A C 2.002 179.631 177.584 0.075 0.000 1.181 276 A CA 1.140 53.194 52.037 0.029 0.000 0.620 276 A CB -0.529 18.479 19.000 0.013 0.000 0.819 276 A HN 0.381 nan 8.150 nan 0.000 0.442 277 L N -0.074 121.190 121.223 0.068 0.000 2.017 277 L HA -0.098 4.243 4.340 0.002 0.000 0.208 277 L C 2.249 179.177 176.870 0.096 0.000 1.073 277 L CA 1.783 56.682 54.840 0.098 0.000 0.745 277 L CB -0.486 41.662 42.059 0.149 0.000 0.894 277 L HN 0.395 nan 8.230 nan 0.000 0.432 278 L N -0.731 120.520 121.223 0.046 0.000 2.093 278 L HA -0.167 4.174 4.340 0.002 0.000 0.208 278 L C 2.195 179.088 176.870 0.040 0.000 1.085 278 L CA 1.092 55.946 54.840 0.023 0.000 0.755 278 L CB -0.893 41.150 42.059 -0.026 0.000 0.904 278 L HN 0.277 nan 8.230 nan 0.000 0.435 279 D N -0.734 119.696 120.400 0.050 0.000 2.144 279 D HA -0.212 4.429 4.640 0.002 0.000 0.200 279 D C 1.907 178.251 176.300 0.074 0.000 0.978 279 D CA 1.133 55.162 54.000 0.048 0.000 0.833 279 D CB -0.121 40.708 40.800 0.048 0.000 0.961 279 D HN 0.279 nan 8.370 nan 0.000 0.470 280 Y N 1.223 121.527 120.300 0.007 0.000 2.163 280 Y HA -0.126 4.425 4.550 0.002 0.000 0.288 280 Y C 2.142 178.056 175.900 0.024 0.000 1.136 280 Y CA 1.340 59.449 58.100 0.015 0.000 1.147 280 Y CB -0.342 38.129 38.460 0.018 0.000 0.987 280 Y HN -0.096 nan 8.280 nan 0.000 0.509 281 L N -0.187 121.102 121.223 0.109 0.000 2.046 281 L HA -0.221 4.120 4.340 0.002 0.000 0.208 281 L C 2.726 179.578 176.870 -0.031 0.000 1.077 281 L CA 1.638 56.508 54.840 0.049 0.000 0.747 281 L CB -0.545 41.595 42.059 0.134 0.000 0.896 281 L HN 0.138 nan 8.230 nan 0.000 0.432 282 R N 0.066 120.554 120.500 -0.021 0.000 2.115 282 R HA -0.143 4.198 4.340 0.002 0.000 0.230 282 R C 2.589 178.851 176.300 -0.063 0.000 1.111 282 R CA 1.502 57.584 56.100 -0.029 0.000 0.976 282 R CB -0.076 30.215 30.300 -0.015 0.000 0.870 282 R HN 0.452 nan 8.270 nan 0.000 0.445 283 S N -0.210 115.428 115.700 -0.103 0.000 2.447 283 S HA -0.069 4.402 4.470 0.002 0.000 0.233 283 S C 1.593 176.098 174.600 -0.158 0.000 1.006 283 S CA 0.608 58.734 58.200 -0.123 0.000 0.957 283 S CB -0.018 63.100 63.200 -0.138 0.000 0.773 283 S HN 0.333 nan 8.310 nan 0.000 0.507 284 R N 0.367 120.741 120.500 -0.209 0.000 2.432 284 R HA 0.291 4.632 4.340 0.002 0.000 0.260 284 R C 1.235 177.479 176.300 -0.093 0.000 0.935 284 R CA 0.339 56.329 56.100 -0.182 0.000 1.080 284 R CB 0.125 30.254 30.300 -0.284 0.000 1.155 284 R HN 0.547 nan 8.270 nan 0.000 0.531 285 G N 1.970 110.730 108.800 -0.067 0.000 2.179 285 G HA2 -0.285 3.676 3.960 0.002 0.000 0.257 285 G HA3 -0.285 3.676 3.960 0.002 0.000 0.257 285 G C 0.122 175.017 174.900 -0.008 0.000 1.010 285 G CA 0.122 45.203 45.100 -0.031 0.000 0.736 285 G HN 0.260 nan 8.290 nan 0.000 0.513 286 I N 0.436 121.008 120.570 0.003 0.000 2.396 286 I HA 0.249 4.420 4.170 0.002 0.000 0.292 286 I C 0.580 176.749 176.117 0.086 0.000 0.999 286 I CA -0.642 60.688 61.300 0.050 0.000 1.310 286 I CB 1.175 39.225 38.000 0.084 0.000 1.404 286 I HN 0.172 nan 8.210 nan 0.000 0.496 287 D N 4.577 125.039 120.400 0.103 0.000 2.450 287 D HA -0.054 4.587 4.640 0.002 0.000 0.247 287 D C 1.156 177.592 176.300 0.226 0.000 1.162 287 D CA 0.097 54.171 54.000 0.123 0.000 0.879 287 D CB 0.809 41.670 40.800 0.103 0.000 1.163 287 D HN 0.669 nan 8.370 nan 0.000 0.472 288 E N 3.063 123.329 120.200 0.111 0.000 2.481 288 E HA -0.095 4.256 4.350 0.002 0.000 0.195 288 E C 0.319 176.885 176.600 -0.057 0.000 1.047 288 E CA -0.193 56.211 56.400 0.007 0.000 0.867 288 E CB 0.077 29.765 29.700 -0.019 0.000 0.858 288 E HN 0.249 nan 8.360 nan 0.000 0.513 289 K N 0.834 121.264 120.400 0.050 0.000 2.430 289 K HA 0.039 4.360 4.320 0.002 0.000 0.280 289 K C 0.655 177.304 176.600 0.081 0.000 1.063 289 K CA 1.100 57.416 56.287 0.048 0.000 1.071 289 K CB -0.067 32.472 32.500 0.064 0.000 0.899 289 K HN 0.346 nan 8.250 nan 0.000 0.473 290 G N 2.457 111.275 108.800 0.030 0.000 2.176 290 G HA2 -0.341 3.620 3.960 0.002 0.000 0.253 290 G HA3 -0.341 3.620 3.960 0.002 0.000 0.253 290 G C 0.793 175.718 174.900 0.043 0.000 0.979 290 G CA 0.667 45.809 45.100 0.070 0.000 0.641 290 G HN 0.768 nan 8.290 nan 0.000 0.530 291 S N -0.566 115.023 115.700 -0.186 0.000 2.368 291 S HA 0.000 4.471 4.470 0.002 0.000 0.224 291 S C 2.221 176.961 174.600 0.233 0.000 1.029 291 S CA 1.730 59.815 58.200 -0.192 0.000 0.988 291 S CB -0.327 62.579 63.200 -0.490 0.000 0.838 291 S HN 0.795 nan 8.310 nan 0.000 0.462 292 V N 2.651 122.674 119.914 0.182 0.000 2.407 292 V HA -0.103 4.018 4.120 0.002 0.000 0.248 292 V C 3.039 179.381 176.094 0.414 0.000 1.055 292 V CA 1.600 64.090 62.300 0.315 0.000 1.049 292 V CB -1.460 30.402 31.823 0.064 0.000 0.662 292 V HN 0.673 nan 8.190 nan 0.000 0.455 293 A N -0.401 122.590 122.820 0.285 0.000 2.121 293 A HA -0.146 4.175 4.320 0.002 0.000 0.218 293 A C 2.219 180.039 177.584 0.392 0.000 1.154 293 A CA 1.463 53.677 52.037 0.294 0.000 0.679 293 A CB -0.251 18.862 19.000 0.189 0.000 0.795 293 A HN 0.608 nan 8.150 nan 0.000 0.458 294 K N -1.804 118.815 120.400 0.365 0.000 2.308 294 K HA 0.125 4.446 4.320 0.002 0.000 0.197 294 K C 1.154 177.989 176.600 0.390 0.000 1.049 294 K CA 0.585 57.060 56.287 0.313 0.000 0.991 294 K CB 0.087 32.616 32.500 0.048 0.000 0.836 294 K HN 0.532 nan 8.250 nan 0.000 0.500 295 H N -1.128 118.239 119.070 0.495 0.000 2.740 295 H HA 0.200 4.757 4.556 0.002 0.000 0.265 295 H C -0.459 175.007 175.328 0.230 0.000 0.978 295 H CA 0.266 56.546 56.048 0.387 0.000 1.198 295 H CB 0.590 30.586 29.762 0.389 0.000 1.467 295 H HN -0.041 nan 8.280 nan 0.000 0.511 296 F N 1.361 121.581 119.950 0.450 0.000 2.529 296 F HA 0.356 4.884 4.527 0.002 0.000 0.320 296 F C 0.101 176.043 175.800 0.236 0.000 1.118 296 F CA -1.135 57.079 58.000 0.356 0.000 0.915 296 F CB 1.979 41.198 39.000 0.366 0.000 1.161 296 F HN -0.261 nan 8.300 nan 0.000 0.445 297 V N 0.097 120.184 119.914 0.289 0.000 3.040 297 V HA 1.026 5.147 4.120 0.002 0.000 0.312 297 V C -1.040 175.152 176.094 0.163 0.000 1.115 297 V CA -1.165 61.219 62.300 0.141 0.000 0.998 297 V CB 1.499 33.261 31.823 -0.102 0.000 1.042 297 V HN 0.985 nan 8.190 nan 0.000 0.433 298 A N 3.112 126.020 122.820 0.146 0.000 2.414 298 A HA 0.904 5.225 4.320 0.002 0.000 0.306 298 A C -0.966 176.710 177.584 0.153 0.000 1.054 298 A CA -0.764 51.358 52.037 0.141 0.000 0.724 298 A CB 1.550 20.534 19.000 -0.028 0.000 1.267 298 A HN 1.105 nan 8.150 nan 0.000 0.418 299 L N 1.961 123.288 121.223 0.173 0.000 2.318 299 L HA 0.726 5.067 4.340 0.002 0.000 0.277 299 L C 0.106 177.185 176.870 0.348 0.000 1.008 299 L CA -0.241 54.720 54.840 0.202 0.000 0.846 299 L CB 1.045 43.145 42.059 0.068 0.000 1.220 299 L HN 0.666 nan 8.230 nan 0.000 0.423 300 S N 0.147 115.984 115.700 0.228 0.000 2.672 300 S HA 0.507 4.978 4.470 0.002 0.000 0.271 300 S C 0.431 174.719 174.600 -0.520 0.000 1.171 300 S CA 0.298 58.479 58.200 -0.031 0.000 0.817 300 S CB 1.895 65.021 63.200 -0.124 0.000 1.150 300 S HN 0.706 nan 8.310 nan 0.000 0.478 301 T N -0.893 113.269 114.554 -0.652 0.000 2.971 301 T HA 0.312 4.663 4.350 0.002 0.000 0.252 301 T C 0.243 174.722 174.700 -0.368 0.000 1.022 301 T CA -0.003 61.704 62.100 -0.655 0.000 0.980 301 T CB -0.258 68.188 68.868 -0.703 0.000 1.044 301 T HN 0.326 nan 8.240 nan 0.000 0.501 302 N N 2.135 120.666 118.700 -0.281 0.000 2.602 302 N HA 0.282 5.023 4.740 0.002 0.000 0.238 302 N C 0.053 175.418 175.510 -0.242 0.000 1.084 302 N CA -0.103 52.832 53.050 -0.192 0.000 0.952 302 N CB 0.427 38.865 38.487 -0.082 0.000 1.244 302 N HN 0.294 nan 8.380 nan 0.000 0.512 303 N N 1.489 120.066 118.700 -0.204 0.000 2.166 303 N HA -0.190 4.551 4.740 0.002 0.000 0.186 303 N C 1.374 176.793 175.510 -0.152 0.000 1.019 303 N CA 1.044 53.980 53.050 -0.190 0.000 0.856 303 N CB 0.080 38.483 38.487 -0.140 0.000 0.993 303 N HN 0.473 nan 8.380 nan 0.000 0.426 304 Q N 1.061 120.798 119.800 -0.104 0.000 2.046 304 Q HA 0.006 4.347 4.340 0.002 0.000 0.200 304 Q C 1.285 177.261 176.000 -0.040 0.000 0.975 304 Q CA 1.485 57.254 55.803 -0.057 0.000 0.836 304 Q CB 0.061 28.782 28.738 -0.029 0.000 0.896 304 Q HN 0.086 nan 8.270 nan 0.000 0.428 305 K N -0.547 119.831 120.400 -0.037 0.000 2.217 305 K HA 0.011 4.332 4.320 0.002 0.000 0.202 305 K C 1.993 178.593 176.600 0.001 0.000 1.051 305 K CA 0.689 57.016 56.287 0.067 0.000 0.952 305 K CB -0.266 32.356 32.500 0.203 0.000 0.736 305 K HN 0.137 nan 8.250 nan 0.000 0.453 306 V N 1.546 121.243 119.914 -0.361 0.000 2.379 306 V HA -0.171 3.950 4.120 0.002 0.000 0.245 306 V C 2.525 178.555 176.094 -0.106 0.000 1.044 306 V CA 1.476 63.451 62.300 -0.542 0.000 1.036 306 V CB -0.293 31.128 31.823 -0.671 0.000 0.664 306 V HN 0.319 nan 8.190 nan 0.000 0.453 307 K N 0.135 120.489 120.400 -0.076 0.000 2.097 307 K HA -0.184 4.137 4.320 0.002 0.000 0.205 307 K C 2.015 178.636 176.600 0.036 0.000 1.050 307 K CA 1.598 57.877 56.287 -0.015 0.000 0.938 307 K CB -0.067 32.413 32.500 -0.033 0.000 0.718 307 K HN 0.525 nan 8.250 nan 0.000 0.442 308 E N -0.589 119.646 120.200 0.059 0.000 2.268 308 E HA -0.163 4.188 4.350 0.002 0.000 0.195 308 E C 1.512 178.179 176.600 0.111 0.000 0.995 308 E CA 0.682 57.127 56.400 0.074 0.000 0.836 308 E CB -0.039 29.711 29.700 0.083 0.000 0.763 308 E HN 0.297 nan 8.360 nan 0.000 0.491 309 F N -0.229 119.745 119.950 0.040 0.000 2.416 309 F HA 0.116 4.644 4.527 0.001 0.000 0.296 309 F C 1.465 177.251 175.800 -0.023 0.000 1.099 309 F CA 1.351 59.382 58.000 0.051 0.000 1.427 309 F CB 0.698 39.825 39.000 0.212 0.000 1.079 309 F HN 0.049 nan 8.300 nan 0.000 0.536 310 G N 0.943 109.803 108.800 0.099 0.000 2.175 310 G HA2 -0.186 3.775 3.960 0.002 0.000 0.182 310 G HA3 -0.186 3.775 3.960 0.002 0.000 0.182 310 G C 0.114 175.078 174.900 0.106 0.000 1.003 310 G CA -0.064 45.044 45.100 0.013 0.000 0.666 310 G HN 0.264 nan 8.290 nan 0.000 0.506 311 I N 1.870 122.560 120.570 0.199 0.000 2.395 311 I HA 0.274 4.445 4.170 0.002 0.000 0.289 311 I C -0.014 176.151 176.117 0.080 0.000 1.023 311 I CA -0.800 60.608 61.300 0.179 0.000 1.350 311 I CB 0.786 38.907 38.000 0.202 0.000 1.409 311 I HN -0.050 nan 8.210 nan 0.000 0.507 312 D N 4.688 125.138 120.400 0.083 0.000 2.423 312 D HA -0.055 4.586 4.640 0.002 0.000 0.238 312 D C 1.025 177.315 176.300 -0.016 0.000 1.142 312 D CA 0.165 54.189 54.000 0.039 0.000 0.884 312 D CB 0.804 41.645 40.800 0.068 0.000 1.199 312 D HN 0.555 nan 8.370 nan 0.000 0.438 313 E N 0.772 120.948 120.200 -0.040 0.000 2.153 313 E HA -0.227 4.124 4.350 0.002 0.000 0.194 313 E C 0.768 177.294 176.600 -0.123 0.000 0.988 313 E CA 1.113 57.464 56.400 -0.083 0.000 0.811 313 E CB 0.266 29.927 29.700 -0.065 0.000 0.746 313 E HN 0.336 nan 8.360 nan 0.000 0.466 314 E N 0.462 120.607 120.200 -0.092 0.000 2.268 314 E HA -0.084 4.267 4.350 0.002 0.000 0.195 314 E C 0.817 177.278 176.600 -0.232 0.000 0.995 314 E CA 0.667 56.992 56.400 -0.124 0.000 0.836 314 E CB 0.019 29.701 29.700 -0.031 0.000 0.763 314 E HN 0.221 nan 8.360 nan 0.000 0.491 315 N N -0.026 118.570 118.700 -0.173 0.000 2.251 315 N HA 0.100 4.841 4.740 0.002 0.000 0.217 315 N C -0.344 175.040 175.510 -0.210 0.000 1.124 315 N CA 0.064 52.988 53.050 -0.210 0.000 0.843 315 N CB 0.424 38.916 38.487 0.008 0.000 1.024 315 N HN 0.210 nan 8.380 nan 0.000 0.501 316 M N 0.771 120.182 119.600 -0.314 0.000 2.227 316 M HA 0.348 4.829 4.480 0.002 0.000 0.335 316 M C -1.463 174.618 176.300 -0.366 0.000 1.053 316 M CA -0.609 54.565 55.300 -0.211 0.000 0.973 316 M CB 0.744 33.223 32.600 -0.201 0.000 1.623 316 M HN -0.202 nan 8.290 nan 0.000 0.434 317 F N 3.319 123.167 119.950 -0.170 0.000 2.334 317 F HA 0.374 4.902 4.527 0.002 0.000 0.367 317 F C 0.303 176.026 175.800 -0.127 0.000 1.115 317 F CA -0.574 57.342 58.000 -0.141 0.000 1.116 317 F CB 0.961 39.878 39.000 -0.139 0.000 1.230 317 F HN 0.533 nan 8.300 nan 0.000 0.484 318 Q N 3.698 123.435 119.800 -0.105 0.000 2.327 318 Q HA 0.559 4.900 4.340 0.002 0.000 0.254 318 Q C -0.922 174.722 176.000 -0.594 0.000 0.952 318 Q CA -0.137 55.461 55.803 -0.342 0.000 0.884 318 Q CB 0.845 29.341 28.738 -0.402 0.000 1.224 318 Q HN 0.531 nan 8.270 nan 0.000 0.422 319 F N 0.083 119.388 119.950 -1.075 0.000 2.715 319 F HA 0.778 5.306 4.527 0.002 0.000 0.318 319 F C -1.640 173.362 175.800 -1.331 0.000 1.141 319 F CA -1.299 55.842 58.000 -1.432 0.000 0.950 319 F CB 1.018 39.701 39.000 -0.528 0.000 1.374 319 F HN 0.402 nan 8.300 nan 0.000 0.477 320 W N 1.046 122.060 121.300 -0.476 0.000 2.762 320 W HA 0.214 4.874 4.660 0.001 0.000 0.355 320 W C 0.349 176.495 176.519 -0.622 0.000 1.124 320 W CA -0.171 56.724 57.345 -0.751 0.000 1.141 320 W CB 1.303 29.979 29.460 -1.306 0.000 1.432 320 W HN 0.749 nan 8.180 nan 0.000 0.586 321 D N -0.456 119.795 120.400 -0.248 0.000 2.263 321 D HA -0.212 4.429 4.640 0.002 0.000 0.208 321 D C 1.470 177.820 176.300 0.084 0.000 0.971 321 D CA 1.311 55.269 54.000 -0.070 0.000 0.867 321 D CB -0.646 40.162 40.800 0.013 0.000 0.929 321 D HN 0.541 nan 8.370 nan 0.000 0.492 322 W N 0.651 122.073 121.300 0.203 0.000 3.180 322 W HA 0.338 4.999 4.660 0.001 0.000 0.254 322 W C -0.517 176.124 176.519 0.204 0.000 1.318 322 W CA -0.621 56.811 57.345 0.145 0.000 1.608 322 W CB -0.452 29.046 29.460 0.065 0.000 1.124 322 W HN -0.253 nan 8.180 nan 0.000 0.694 323 V N 2.489 122.616 119.914 0.355 0.000 2.318 323 V HA 0.469 4.590 4.120 0.002 0.000 0.271 323 V C 0.938 177.272 176.094 0.400 0.000 1.030 323 V CA -0.653 61.915 62.300 0.448 0.000 0.844 323 V CB 0.391 32.495 31.823 0.468 0.000 1.015 323 V HN 0.115 nan 8.190 nan 0.000 0.460 324 G N 3.149 112.202 108.800 0.422 0.000 2.483 324 G HA2 0.406 4.367 3.960 0.002 0.000 0.248 324 G HA3 0.406 4.367 3.960 0.002 0.000 0.248 324 G C 1.112 176.217 174.900 0.342 0.000 1.248 324 G CA 0.189 45.532 45.100 0.405 0.000 0.838 324 G HN 0.870 nan 8.290 nan 0.000 0.566 325 G N 1.411 110.344 108.800 0.222 0.000 2.440 325 G HA2 -0.253 3.708 3.960 0.002 0.000 0.218 325 G HA3 -0.253 3.708 3.960 0.002 0.000 0.218 325 G C 1.638 176.548 174.900 0.017 0.000 1.154 325 G CA 0.870 46.041 45.100 0.118 0.000 0.767 325 G HN 0.774 nan 8.290 nan 0.000 0.552 326 R N -0.965 119.497 120.500 -0.063 0.000 2.328 326 R HA 0.157 4.498 4.340 0.002 0.000 0.200 326 R C 0.232 176.251 176.300 -0.468 0.000 0.983 326 R CA 0.480 56.380 56.100 -0.333 0.000 1.062 326 R CB -0.262 29.756 30.300 -0.470 0.000 0.956 326 R HN 0.445 nan 8.270 nan 0.000 0.479 327 Y N 0.214 120.530 120.300 0.026 0.000 2.738 327 Y HA 0.182 4.733 4.550 0.002 0.000 0.249 327 Y C 1.115 177.149 175.900 0.223 0.000 1.153 327 Y CA -0.426 57.728 58.100 0.090 0.000 1.165 327 Y CB 1.206 39.600 38.460 -0.110 0.000 1.235 327 Y HN 0.189 nan 8.280 nan 0.000 0.559 328 S N -1.070 114.735 115.700 0.175 0.000 2.540 328 S HA -0.030 4.441 4.470 0.002 0.000 0.218 328 S C 1.684 176.225 174.600 -0.098 0.000 0.977 328 S CA -0.001 58.234 58.200 0.057 0.000 0.918 328 S CB -0.471 62.661 63.200 -0.112 0.000 0.806 328 S HN 0.559 nan 8.310 nan 0.000 0.496 329 M N -0.936 118.502 119.600 -0.270 0.000 2.446 329 M HA 0.139 4.620 4.480 0.002 0.000 0.263 329 M C 1.124 177.235 176.300 -0.315 0.000 1.066 329 M CA 1.069 56.123 55.300 -0.410 0.000 1.087 329 M CB -1.033 31.174 32.600 -0.656 0.000 1.406 329 M HN 0.401 nan 8.290 nan 0.000 0.459 330 W N 1.784 123.153 121.300 0.115 0.000 2.905 330 W HA 0.165 4.826 4.660 0.001 0.000 0.251 330 W C 1.776 178.464 176.519 0.282 0.000 1.305 330 W CA 0.227 57.662 57.345 0.151 0.000 1.465 330 W CB -0.473 29.059 29.460 0.121 0.000 1.122 330 W HN 0.377 nan 8.180 nan 0.000 0.659 331 S N 0.514 116.419 115.700 0.340 0.000 2.495 331 S HA 0.618 5.089 4.470 0.002 0.000 0.273 331 S C 1.670 176.317 174.600 0.080 0.000 1.156 331 S CA -0.023 58.315 58.200 0.231 0.000 1.032 331 S CB 0.232 63.466 63.200 0.055 0.000 1.160 331 S HN 0.018 nan 8.310 nan 0.000 0.489 332 A N 0.207 123.002 122.820 -0.041 0.000 2.024 332 A HA 0.018 4.339 4.320 0.002 0.000 0.220 332 A C 2.074 179.529 177.584 -0.214 0.000 1.164 332 A CA 1.149 53.140 52.037 -0.077 0.000 0.643 332 A CB -1.110 17.914 19.000 0.040 0.000 0.806 332 A HN 0.702 nan 8.150 nan 0.000 0.451 333 I N 0.003 120.364 120.570 -0.348 0.000 2.423 333 I HA -0.189 3.982 4.170 0.002 0.000 0.254 333 I C 2.290 178.308 176.117 -0.166 0.000 1.151 333 I CA 1.458 62.577 61.300 -0.301 0.000 1.421 333 I CB -1.556 36.200 38.000 -0.407 0.000 1.079 333 I HN 0.381 nan 8.210 nan 0.000 0.431 334 G N 0.250 108.990 108.800 -0.099 0.000 3.026 334 G HA2 -0.043 3.918 3.960 0.002 0.000 0.208 334 G HA3 -0.043 3.918 3.960 0.002 0.000 0.208 334 G C 1.578 176.352 174.900 -0.210 0.000 1.169 334 G CA -0.165 44.935 45.100 0.001 0.000 0.788 334 G HN 0.270 nan 8.290 nan 0.000 0.533 335 L N 1.911 122.961 121.223 -0.290 0.000 2.042 335 L HA -0.007 4.334 4.340 0.002 0.000 0.210 335 L C 0.234 176.956 176.870 -0.245 0.000 1.076 335 L CA 2.087 56.707 54.840 -0.366 0.000 0.749 335 L CB -0.656 41.096 42.059 -0.513 0.000 0.893 335 L HN 0.080 nan 8.230 nan 0.000 0.432 336 P HA -0.150 nan 4.420 nan 0.000 0.220 336 P C 1.966 179.248 177.300 -0.030 0.000 1.148 336 P CA 1.612 64.659 63.100 -0.088 0.000 0.803 336 P CB -0.031 31.658 31.700 -0.019 0.000 0.782 337 I N -0.855 119.715 120.570 -0.000 0.000 2.233 337 I HA -0.168 4.003 4.170 0.002 0.000 0.243 337 I C 2.875 179.029 176.117 0.060 0.000 1.093 337 I CA 1.292 62.637 61.300 0.074 0.000 1.380 337 I CB -0.608 37.504 38.000 0.186 0.000 1.067 337 I HN -0.136 nan 8.210 nan 0.000 0.413 338 M N 0.773 120.318 119.600 -0.091 0.000 2.159 338 M HA -0.186 4.295 4.480 0.002 0.000 0.263 338 M C 2.301 178.550 176.300 -0.085 0.000 1.063 338 M CA 1.892 57.101 55.300 -0.151 0.000 1.110 338 M CB -0.014 32.294 32.600 -0.486 0.000 1.374 338 M HN 0.162 nan 8.290 nan 0.000 0.411 339 I N -0.991 119.507 120.570 -0.120 0.000 2.315 339 I HA -0.260 3.911 4.170 0.002 0.000 0.248 339 I C 2.574 178.643 176.117 -0.080 0.000 1.117 339 I CA 1.145 62.371 61.300 -0.125 0.000 1.404 339 I CB -0.370 37.529 38.000 -0.169 0.000 1.071 339 I HN 0.348 nan 8.210 nan 0.000 0.419 340 S N 1.189 116.861 115.700 -0.046 0.000 2.357 340 S HA -0.082 4.389 4.470 0.002 0.000 0.221 340 S C 1.913 176.519 174.600 0.009 0.000 1.031 340 S CA 1.306 59.494 58.200 -0.020 0.000 0.982 340 S CB -0.114 63.091 63.200 0.008 0.000 0.853 340 S HN 0.530 nan 8.310 nan 0.000 0.458 341 I N -1.982 118.612 120.570 0.041 0.000 3.941 341 I HA 0.486 4.657 4.170 0.002 0.000 0.321 341 I C 0.833 176.997 176.117 0.078 0.000 1.284 341 I CA 0.252 61.596 61.300 0.074 0.000 1.226 341 I CB -0.245 37.809 38.000 0.090 0.000 1.045 341 I HN 0.391 nan 8.210 nan 0.000 0.420 342 G N 1.168 110.008 108.800 0.067 0.000 2.690 342 G HA2 -0.337 3.624 3.960 0.002 0.000 0.686 342 G HA3 -0.337 3.624 3.960 0.002 0.000 0.686 342 G C -0.177 174.813 174.900 0.149 0.000 1.277 342 G CA 0.054 45.209 45.100 0.091 0.000 0.799 342 G HN 0.359 nan 8.290 nan 0.000 0.613 343 Y N 0.495 120.823 120.300 0.046 0.000 2.081 343 Y HA -0.181 4.370 4.550 0.002 0.000 0.280 343 Y C 2.726 178.703 175.900 0.129 0.000 1.163 343 Y CA 2.987 61.137 58.100 0.085 0.000 1.135 343 Y CB -0.194 38.298 38.460 0.054 0.000 0.970 343 Y HN 0.792 nan 8.280 nan 0.000 0.498 344 E N -0.288 119.967 120.200 0.092 0.000 2.097 344 E HA -0.251 4.100 4.350 0.002 0.000 0.196 344 E C 1.891 178.451 176.600 -0.067 0.000 1.000 344 E CA 1.358 57.751 56.400 -0.012 0.000 0.804 344 E CB -0.233 29.515 29.700 0.081 0.000 0.740 344 E HN 0.511 nan 8.360 nan 0.000 0.454 345 N N 0.009 118.700 118.700 -0.014 0.000 2.270 345 N HA -0.103 4.638 4.740 0.002 0.000 0.181 345 N C 1.481 176.954 175.510 -0.061 0.000 1.016 345 N CA 0.613 53.627 53.050 -0.059 0.000 0.870 345 N CB -0.203 38.266 38.487 -0.031 0.000 0.979 345 N HN 0.111 nan 8.380 nan 0.000 0.431 346 F N 1.344 121.205 119.950 -0.149 0.000 2.206 346 F HA -0.060 4.468 4.527 0.002 0.000 0.298 346 F C 2.075 177.781 175.800 -0.156 0.000 1.090 346 F CA 0.657 58.579 58.000 -0.129 0.000 1.323 346 F CB -0.027 38.915 39.000 -0.097 0.000 1.028 346 F HN -0.235 nan 8.300 nan 0.000 0.492 347 V N 0.138 119.957 119.914 -0.158 0.000 2.427 347 V HA -0.225 3.896 4.120 0.002 0.000 0.248 347 V C 2.352 178.348 176.094 -0.163 0.000 1.051 347 V CA 1.855 64.025 62.300 -0.216 0.000 1.048 347 V CB -0.523 31.089 31.823 -0.351 0.000 0.666 347 V HN 0.260 nan 8.190 nan 0.000 0.456 348 E N -0.177 119.929 120.200 -0.156 0.000 2.110 348 E HA -0.201 4.150 4.350 0.002 0.000 0.193 348 E C 2.119 178.633 176.600 -0.142 0.000 0.988 348 E CA 1.105 57.424 56.400 -0.135 0.000 0.804 348 E CB -0.317 29.291 29.700 -0.154 0.000 0.745 348 E HN 0.483 nan 8.360 nan 0.000 0.458 349 L N 0.829 121.933 121.223 -0.199 0.000 2.017 349 L HA -0.146 4.195 4.340 0.002 0.000 0.208 349 L C 2.254 179.093 176.870 -0.052 0.000 1.073 349 L CA 1.439 56.178 54.840 -0.169 0.000 0.745 349 L CB -0.500 41.356 42.059 -0.338 0.000 0.894 349 L HN 0.058 nan 8.230 nan 0.000 0.432 350 L N -1.210 119.921 121.223 -0.154 0.000 2.093 350 L HA -0.186 4.155 4.340 0.002 0.000 0.208 350 L C 2.326 179.151 176.870 -0.075 0.000 1.085 350 L CA 1.662 56.450 54.840 -0.087 0.000 0.755 350 L CB -1.063 40.944 42.059 -0.087 0.000 0.904 350 L HN 0.276 nan 8.230 nan 0.000 0.435 351 T N -0.385 114.137 114.554 -0.054 0.000 2.821 351 T HA -0.111 4.240 4.350 0.002 0.000 0.267 351 T C 1.859 176.574 174.700 0.025 0.000 1.046 351 T CA 1.253 63.357 62.100 0.007 0.000 1.139 351 T CB -0.485 68.379 68.868 -0.007 0.000 0.871 351 T HN 0.559 nan 8.240 nan 0.000 0.454 352 G N 1.089 109.882 108.800 -0.011 0.000 2.422 352 G HA2 -0.033 3.928 3.960 0.002 0.000 0.218 352 G HA3 -0.033 3.928 3.960 0.002 0.000 0.218 352 G C 1.801 176.695 174.900 -0.010 0.000 1.146 352 G CA 0.836 45.935 45.100 -0.001 0.000 0.769 352 G HN 0.575 nan 8.290 nan 0.000 0.547 353 A N 0.253 123.023 122.820 -0.084 0.000 1.898 353 A HA -0.043 4.278 4.320 0.002 0.000 0.216 353 A C 2.106 179.635 177.584 -0.092 0.000 1.181 353 A CA 1.993 53.895 52.037 -0.226 0.000 0.620 353 A CB -0.717 17.819 19.000 -0.774 0.000 0.819 353 A HN 0.483 nan 8.150 nan 0.000 0.442 354 H N -0.110 118.878 119.070 -0.136 0.000 2.353 354 H HA -0.076 4.482 4.556 0.002 0.000 0.300 354 H C 1.834 177.180 175.328 0.030 0.000 1.090 354 H CA 1.925 57.940 56.048 -0.055 0.000 1.327 354 H CB -0.266 29.462 29.762 -0.056 0.000 1.383 354 H HN 0.125 nan 8.280 nan 0.000 0.508 355 V N 0.562 120.463 119.914 -0.022 0.000 2.407 355 V HA -0.225 3.896 4.120 0.002 0.000 0.248 355 V C 2.365 178.481 176.094 0.036 0.000 1.055 355 V CA 1.553 63.836 62.300 -0.028 0.000 1.049 355 V CB -0.422 31.416 31.823 0.025 0.000 0.662 355 V HN 0.448 nan 8.190 nan 0.000 0.455 356 I N -0.017 120.599 120.570 0.076 0.000 2.617 356 I HA -0.103 4.068 4.170 0.002 0.000 0.256 356 I C 2.164 178.466 176.117 0.308 0.000 1.167 356 I CA 1.187 62.596 61.300 0.183 0.000 1.469 356 I CB -1.140 36.942 38.000 0.137 0.000 1.098 356 I HN 0.339 nan 8.210 nan 0.000 0.436 357 D N 0.935 121.488 120.400 0.254 0.000 2.117 357 D HA -0.159 4.482 4.640 0.002 0.000 0.197 357 D C 2.068 178.538 176.300 0.284 0.000 0.987 357 D CA 1.020 55.268 54.000 0.413 0.000 0.829 357 D CB 0.011 40.985 40.800 0.290 0.000 0.961 357 D HN 0.276 nan 8.370 nan 0.000 0.460 358 E N 0.011 120.243 120.200 0.053 0.000 2.106 358 E HA -0.164 4.187 4.350 0.002 0.000 0.192 358 E C 2.026 178.629 176.600 0.005 0.000 0.984 358 E CA 0.709 57.090 56.400 -0.032 0.000 0.806 358 E CB -0.414 29.193 29.700 -0.154 0.000 0.750 358 E HN 0.522 nan 8.360 nan 0.000 0.458 359 H N 0.035 119.112 119.070 0.012 0.000 2.321 359 H HA -0.141 4.416 4.556 0.002 0.000 0.300 359 H C 1.921 177.277 175.328 0.046 0.000 1.087 359 H CA 1.783 57.850 56.048 0.032 0.000 1.319 359 H CB -0.405 29.400 29.762 0.072 0.000 1.379 359 H HN 0.112 nan 8.280 nan 0.000 0.501 360 F N 1.051 120.928 119.950 -0.121 0.000 2.134 360 F HA -0.076 4.451 4.527 0.002 0.000 0.299 360 F C 2.429 178.007 175.800 -0.370 0.000 1.097 360 F CA 1.582 59.444 58.000 -0.230 0.000 1.264 360 F CB -0.961 37.944 39.000 -0.159 0.000 1.001 360 F HN 0.295 nan 8.300 nan 0.000 0.479 361 A N -0.291 122.204 122.820 -0.542 0.000 2.016 361 A HA -0.049 4.272 4.320 0.002 0.000 0.217 361 A C 1.720 179.003 177.584 -0.502 0.000 1.162 361 A CA 1.531 53.113 52.037 -0.758 0.000 0.662 361 A CB -0.434 18.081 19.000 -0.809 0.000 0.812 361 A HN 0.522 nan 8.150 nan 0.000 0.450 362 N N -0.745 117.741 118.700 -0.357 0.000 2.257 362 N HA 0.222 4.963 4.740 0.002 0.000 0.200 362 N C 0.499 175.862 175.510 -0.245 0.000 1.163 362 N CA 0.633 53.526 53.050 -0.262 0.000 0.891 362 N CB 0.037 38.420 38.487 -0.174 0.000 1.067 362 N HN 0.343 nan 8.380 nan 0.000 0.497 363 A N 2.807 125.435 122.820 -0.319 0.000 2.425 363 A HA 0.407 4.728 4.320 0.002 0.000 0.249 363 A C -2.141 175.300 177.584 -0.239 0.000 1.084 363 A CA -0.779 51.083 52.037 -0.292 0.000 0.781 363 A CB -0.238 18.447 19.000 -0.525 0.000 1.019 363 A HN -0.053 nan 8.150 nan 0.000 0.490 364 P HA 0.117 nan 4.420 nan 0.000 0.266 364 P C -1.980 175.241 177.300 -0.133 0.000 1.195 364 P CA -1.211 61.812 63.100 -0.130 0.000 0.768 364 P CB -0.005 31.642 31.700 -0.088 0.000 0.838 365 P HA -0.212 nan 4.420 nan 0.000 0.216 365 P C 1.164 178.402 177.300 -0.105 0.000 1.153 365 P CA 1.703 64.730 63.100 -0.122 0.000 0.858 365 P CB -0.208 31.423 31.700 -0.115 0.000 0.789 366 E N -0.533 119.611 120.200 -0.093 0.000 2.478 366 E HA -0.137 4.214 4.350 0.002 0.000 0.198 366 E C 0.941 177.513 176.600 -0.047 0.000 1.046 366 E CA 0.884 57.231 56.400 -0.087 0.000 0.870 366 E CB -0.572 29.076 29.700 -0.087 0.000 0.818 366 E HN 0.335 nan 8.360 nan 0.000 0.527 367 Q N 0.545 120.327 119.800 -0.031 0.000 2.110 367 Q HA 0.182 4.523 4.340 0.002 0.000 0.232 367 Q C -0.396 175.649 176.000 0.074 0.000 0.810 367 Q CA -0.139 55.685 55.803 0.035 0.000 1.083 367 Q CB 0.415 29.176 28.738 0.038 0.000 1.193 367 Q HN 0.120 nan 8.270 nan 0.000 0.471 368 N N 1.160 119.862 118.700 0.003 0.000 2.485 368 N HA 0.110 4.851 4.740 0.002 0.000 0.243 368 N C 1.050 176.653 175.510 0.156 0.000 0.987 368 N CA 0.071 53.123 53.050 0.004 0.000 0.940 368 N CB 1.517 39.941 38.487 -0.104 0.000 1.122 368 N HN -0.174 nan 8.380 nan 0.000 0.509 369 V N 6.183 126.353 119.914 0.426 0.000 2.255 369 V HA -0.145 3.976 4.120 0.002 0.000 0.247 369 V C -0.863 175.289 176.094 0.096 0.000 1.051 369 V CA 1.778 64.198 62.300 0.200 0.000 1.018 369 V CB -1.050 30.850 31.823 0.129 0.000 0.641 369 V HN 0.603 nan 8.190 nan 0.000 0.445 370 P HA -0.096 nan 4.420 nan 0.000 0.219 370 P C 1.827 179.173 177.300 0.078 0.000 1.150 370 P CA 0.918 64.046 63.100 0.046 0.000 0.814 370 P CB -0.003 31.656 31.700 -0.068 0.000 0.787 371 L N -0.963 120.365 121.223 0.174 0.000 2.027 371 L HA -0.105 4.236 4.340 0.002 0.000 0.206 371 L C 2.130 178.979 176.870 -0.035 0.000 1.074 371 L CA 1.754 56.660 54.840 0.110 0.000 0.745 371 L CB -1.205 40.900 42.059 0.076 0.000 0.898 371 L HN -0.144 nan 8.230 nan 0.000 0.433 372 L N -1.376 119.775 121.223 -0.121 0.000 2.046 372 L HA -0.203 4.138 4.340 0.002 0.000 0.208 372 L C 2.425 179.140 176.870 -0.257 0.000 1.077 372 L CA 0.823 55.475 54.840 -0.314 0.000 0.747 372 L CB -0.616 41.089 42.059 -0.589 0.000 0.896 372 L HN 0.313 nan 8.230 nan 0.000 0.432 373 L N -0.101 121.034 121.223 -0.147 0.000 2.083 373 L HA -0.133 4.208 4.340 0.002 0.000 0.209 373 L C 2.585 179.450 176.870 -0.009 0.000 1.083 373 L CA 1.918 56.722 54.840 -0.060 0.000 0.752 373 L CB -0.649 41.366 42.059 -0.073 0.000 0.899 373 L HN 0.161 nan 8.230 nan 0.000 0.433 374 A N -0.871 121.934 122.820 -0.024 0.000 1.898 374 A HA -0.116 4.205 4.320 0.002 0.000 0.216 374 A C 2.217 179.801 177.584 -0.001 0.000 1.181 374 A CA 1.685 53.710 52.037 -0.020 0.000 0.620 374 A CB -0.733 18.250 19.000 -0.028 0.000 0.819 374 A HN 0.451 nan 8.150 nan 0.000 0.442 375 L N -0.568 120.648 121.223 -0.012 0.000 2.093 375 L HA -0.117 4.224 4.340 0.002 0.000 0.208 375 L C 2.442 179.369 176.870 0.095 0.000 1.085 375 L CA 0.731 55.581 54.840 0.016 0.000 0.755 375 L CB -0.488 41.539 42.059 -0.053 0.000 0.904 375 L HN 0.223 nan 8.230 nan 0.000 0.435 376 V N 0.245 120.212 119.914 0.088 0.000 2.427 376 V HA -0.183 3.938 4.120 0.002 0.000 0.248 376 V C 2.585 178.914 176.094 0.392 0.000 1.051 376 V CA 1.960 64.401 62.300 0.235 0.000 1.048 376 V CB -1.050 30.917 31.823 0.241 0.000 0.666 376 V HN 0.561 nan 8.190 nan 0.000 0.456 377 G N -0.559 108.416 108.800 0.290 0.000 2.402 377 G HA2 -0.180 3.781 3.960 0.002 0.000 0.216 377 G HA3 -0.180 3.781 3.960 0.002 0.000 0.216 377 G C 1.685 176.805 174.900 0.367 0.000 1.162 377 G CA 1.053 46.340 45.100 0.311 0.000 0.777 377 G HN 0.361 nan 8.290 nan 0.000 0.539 378 V N 0.129 120.232 119.914 0.315 0.000 2.407 378 V HA -0.140 3.981 4.120 0.002 0.000 0.248 378 V C 2.226 178.634 176.094 0.522 0.000 1.055 378 V CA 1.619 64.168 62.300 0.414 0.000 1.049 378 V CB -0.455 31.543 31.823 0.291 0.000 0.662 378 V HN 0.661 nan 8.190 nan 0.000 0.455 379 W N -0.353 121.079 121.300 0.221 0.000 2.355 379 W HA -0.243 4.418 4.660 0.002 0.000 0.309 379 W C 2.325 178.947 176.519 0.171 0.000 1.206 379 W CA 1.636 59.072 57.345 0.153 0.000 1.284 379 W CB -0.304 29.098 29.460 -0.097 0.000 1.145 379 W HN 0.321 nan 8.180 nan 0.000 0.502 380 Y N 0.461 120.938 120.300 0.294 0.000 2.286 380 Y HA -0.119 4.432 4.550 0.002 0.000 0.293 380 Y C 2.470 178.466 175.900 0.161 0.000 1.124 380 Y CA 1.632 59.804 58.100 0.121 0.000 1.178 380 Y CB -0.918 37.600 38.460 0.096 0.000 1.010 380 Y HN -0.143 nan 8.280 nan 0.000 0.536 381 I N -0.103 120.677 120.570 0.350 0.000 2.193 381 I HA -0.297 3.874 4.170 0.002 0.000 0.240 381 I C 1.418 177.605 176.117 0.118 0.000 1.084 381 I CA 1.806 63.260 61.300 0.257 0.000 1.365 381 I CB -0.359 37.853 38.000 0.353 0.000 1.064 381 I HN 0.186 nan 8.210 nan 0.000 0.410 382 N N -0.400 118.367 118.700 0.112 0.000 2.416 382 N HA 0.008 4.749 4.740 0.002 0.000 0.177 382 N C 1.349 176.427 175.510 -0.719 0.000 1.036 382 N CA 0.860 53.796 53.050 -0.189 0.000 0.901 382 N CB 0.132 38.607 38.487 -0.020 0.000 0.976 382 N HN 0.185 nan 8.380 nan 0.000 0.444 383 F N -1.450 118.262 119.950 -0.396 0.000 2.553 383 F HA 0.289 4.817 4.527 0.002 0.000 0.282 383 F C 1.057 176.096 175.800 -1.268 0.000 1.089 383 F CA 0.051 57.475 58.000 -0.960 0.000 1.411 383 F CB 0.031 38.285 39.000 -1.244 0.000 1.125 383 F HN -0.089 nan 8.300 nan 0.000 0.610 384 F N 0.272 119.839 119.950 -0.639 0.000 2.569 384 F HA 0.304 4.832 4.527 0.002 0.000 0.295 384 F C 1.937 177.658 175.800 -0.132 0.000 1.115 384 F CA 0.783 58.600 58.000 -0.305 0.000 1.450 384 F CB -0.432 38.548 39.000 -0.033 0.000 1.107 384 F HN 0.066 nan 8.300 nan 0.000 0.563 385 G N 0.650 109.464 108.800 0.022 0.000 2.160 385 G HA2 -0.145 3.816 3.960 0.002 0.000 0.244 385 G HA3 -0.145 3.816 3.960 0.002 0.000 0.244 385 G C 0.212 175.169 174.900 0.095 0.000 1.022 385 G CA -0.023 45.090 45.100 0.021 0.000 0.741 385 G HN 0.632 nan 8.290 nan 0.000 0.508 386 A N 0.188 123.112 122.820 0.173 0.000 2.376 386 A HA 0.661 4.982 4.320 0.002 0.000 0.298 386 A C 1.483 179.156 177.584 0.149 0.000 1.271 386 A CA 0.426 52.565 52.037 0.171 0.000 0.926 386 A CB 0.585 19.712 19.000 0.212 0.000 1.141 386 A HN 1.654 nan 8.150 nan 0.000 0.539 387 V N 1.261 121.236 119.914 0.103 0.000 3.649 387 V HA 0.185 4.305 4.120 0.002 0.000 0.275 387 V C 0.696 176.856 176.094 0.110 0.000 1.281 387 V CA 0.978 63.327 62.300 0.083 0.000 1.143 387 V CB -1.420 30.422 31.823 0.032 0.000 0.892 387 V HN 0.875 nan 8.190 nan 0.000 0.441 388 T N -1.420 113.224 114.554 0.151 0.000 2.924 388 T HA 0.700 5.051 4.350 0.002 0.000 0.291 388 T C -0.984 173.895 174.700 0.298 0.000 1.045 388 T CA -0.463 61.768 62.100 0.219 0.000 1.015 388 T CB 2.378 71.371 68.868 0.207 0.000 1.103 388 T HN 0.545 nan 8.240 nan 0.000 0.496 389 H N -0.056 119.133 119.070 0.198 0.000 2.966 389 H HA 0.618 5.175 4.556 0.002 0.000 0.347 389 H C -1.032 174.231 175.328 -0.108 0.000 1.048 389 H CA -0.224 55.870 56.048 0.077 0.000 1.295 389 H CB 1.341 31.161 29.762 0.096 0.000 1.744 389 H HN 1.106 nan 8.280 nan 0.000 0.513 390 A N 5.634 128.075 122.820 -0.632 0.000 2.290 390 A HA 0.529 4.850 4.320 0.002 0.000 0.310 390 A C -0.769 176.461 177.584 -0.590 0.000 1.202 390 A CA -0.663 50.841 52.037 -0.887 0.000 0.837 390 A CB 0.384 18.804 19.000 -0.967 0.000 1.139 390 A HN 0.588 nan 8.150 nan 0.000 0.509 391 I N 3.868 124.188 120.570 -0.416 0.000 2.330 391 I HA 0.239 4.410 4.170 0.002 0.000 0.286 391 I C -0.656 175.359 176.117 -0.170 0.000 1.025 391 I CA -0.099 61.078 61.300 -0.204 0.000 1.197 391 I CB 0.727 38.639 38.000 -0.146 0.000 1.358 391 I HN 0.513 nan 8.210 nan 0.000 0.467 392 L N 8.786 129.914 121.223 -0.159 0.000 2.387 392 L HA 0.366 4.707 4.340 0.002 0.000 0.259 392 L C -2.346 174.600 176.870 0.126 0.000 1.050 392 L CA -1.502 53.283 54.840 -0.092 0.000 0.922 392 L CB 1.207 43.039 42.059 -0.378 0.000 1.280 392 L HN 0.296 nan 8.230 nan 0.000 0.449 393 P HA 0.076 nan 4.420 nan 0.000 0.287 393 P C -0.978 176.484 177.300 0.270 0.000 1.307 393 P CA -0.260 62.985 63.100 0.242 0.000 0.777 393 P CB 0.646 32.442 31.700 0.161 0.000 0.883 394 Y N 2.838 123.234 120.300 0.161 0.000 2.667 394 Y HA 0.298 4.849 4.550 0.002 0.000 0.340 394 Y C 0.625 176.732 175.900 0.346 0.000 1.303 394 Y CA 0.427 58.624 58.100 0.162 0.000 1.769 394 Y CB -0.155 38.156 38.460 -0.248 0.000 1.804 394 Y HN 0.340 nan 8.280 nan 0.000 0.451 395 D N 0.945 121.608 120.400 0.437 0.000 2.614 395 D HA -0.002 4.639 4.640 0.002 0.000 0.203 395 D C 0.399 176.800 176.300 0.168 0.000 1.312 395 D CA -0.190 54.003 54.000 0.321 0.000 0.889 395 D CB 1.369 42.334 40.800 0.276 0.000 1.615 395 D HN 0.251 nan 8.370 nan 0.000 0.567 396 Q N 2.459 122.247 119.800 -0.019 0.000 2.170 396 Q HA -0.132 4.209 4.340 0.002 0.000 0.203 396 Q C 0.945 177.002 176.000 0.095 0.000 0.976 396 Q CA 1.767 57.525 55.803 -0.074 0.000 0.858 396 Q CB -0.147 28.406 28.738 -0.307 0.000 0.907 396 Q HN 0.589 nan 8.270 nan 0.000 0.433 397 Y N -0.494 119.897 120.300 0.150 0.000 2.352 397 Y HA -0.033 4.518 4.550 0.002 0.000 0.292 397 Y C 1.270 177.268 175.900 0.162 0.000 1.136 397 Y CA 0.650 58.859 58.100 0.180 0.000 1.227 397 Y CB -0.014 38.510 38.460 0.106 0.000 0.991 397 Y HN 0.079 nan 8.280 nan 0.000 0.545 398 L N 0.788 122.177 121.223 0.275 0.000 2.672 398 L HA -0.040 4.301 4.340 0.002 0.000 0.236 398 L C 1.700 178.626 176.870 0.093 0.000 1.186 398 L CA -0.265 54.651 54.840 0.127 0.000 0.977 398 L CB -0.590 41.546 42.059 0.128 0.000 1.203 398 L HN 0.524 nan 8.230 nan 0.000 0.448 399 W N -0.007 121.310 121.300 0.028 0.000 2.421 399 W HA -0.127 4.535 4.660 0.002 0.000 0.270 399 W C 1.157 177.677 176.519 0.002 0.000 1.233 399 W CA 0.182 57.531 57.345 0.007 0.000 1.226 399 W CB -0.581 28.874 29.460 -0.009 0.000 1.121 399 W HN 0.108 nan 8.180 nan 0.000 0.579 400 R N 0.840 120.903 120.500 -0.729 0.000 2.334 400 R HA 0.087 4.428 4.340 0.002 0.000 0.216 400 R C 1.903 178.005 176.300 -0.330 0.000 0.905 400 R CA -0.043 55.627 56.100 -0.717 0.000 1.064 400 R CB -0.917 28.776 30.300 -1.013 0.000 1.046 400 R HN 0.263 nan 8.270 nan 0.000 0.508 401 L N 1.630 122.731 121.223 -0.204 0.000 2.056 401 L HA 0.025 4.366 4.340 0.002 0.000 0.207 401 L C -1.037 175.789 176.870 -0.074 0.000 1.078 401 L CA 1.901 56.675 54.840 -0.111 0.000 0.749 401 L CB -0.844 41.174 42.059 -0.069 0.000 0.901 401 L HN 0.012 nan 8.230 nan 0.000 0.433 402 P HA -0.127 nan 4.420 nan 0.000 0.217 402 P C 1.528 178.782 177.300 -0.076 0.000 1.150 402 P CA 1.897 64.951 63.100 -0.075 0.000 0.832 402 P CB -0.143 31.533 31.700 -0.040 0.000 0.787 403 A N -1.580 121.191 122.820 -0.082 0.000 1.930 403 A HA -0.224 4.097 4.320 0.002 0.000 0.217 403 A C 2.256 179.778 177.584 -0.104 0.000 1.175 403 A CA 1.366 53.349 52.037 -0.091 0.000 0.627 403 A CB -1.846 17.084 19.000 -0.117 0.000 0.815 403 A HN 0.164 nan 8.150 nan 0.000 0.443 404 Y N 0.476 120.650 120.300 -0.210 0.000 2.163 404 Y HA -0.095 4.456 4.550 0.002 0.000 0.288 404 Y C 1.904 177.680 175.900 -0.207 0.000 1.136 404 Y CA 1.825 59.794 58.100 -0.218 0.000 1.147 404 Y CB -0.205 38.111 38.460 -0.240 0.000 0.987 404 Y HN 0.196 nan 8.280 nan 0.000 0.509 405 L N 0.140 121.287 121.223 -0.126 0.000 2.275 405 L HA -0.191 4.150 4.340 0.002 0.000 0.215 405 L C 2.487 179.231 176.870 -0.211 0.000 1.119 405 L CA 1.265 55.972 54.840 -0.222 0.000 0.790 405 L CB -0.530 41.353 42.059 -0.294 0.000 0.919 405 L HN 0.350 nan 8.230 nan 0.000 0.443 406 Q N 0.115 119.812 119.800 -0.171 0.000 2.079 406 Q HA -0.270 4.071 4.340 0.002 0.000 0.200 406 Q C 2.260 178.160 176.000 -0.166 0.000 0.974 406 Q CA 1.713 57.442 55.803 -0.123 0.000 0.840 406 Q CB 0.071 28.756 28.738 -0.088 0.000 0.898 406 Q HN 0.493 nan 8.270 nan 0.000 0.430 407 Q N -0.181 119.469 119.800 -0.251 0.000 2.049 407 Q HA -0.175 4.166 4.340 0.002 0.000 0.198 407 Q C 2.144 177.947 176.000 -0.328 0.000 0.971 407 Q CA 1.139 56.773 55.803 -0.282 0.000 0.833 407 Q CB -0.132 28.399 28.738 -0.345 0.000 0.896 407 Q HN 0.397 nan 8.270 nan 0.000 0.434 408 L N 1.465 122.411 121.223 -0.462 0.000 1.990 408 L HA -0.230 4.111 4.340 0.002 0.000 0.213 408 L C 1.991 178.721 176.870 -0.234 0.000 1.072 408 L CA 2.389 56.958 54.840 -0.452 0.000 0.755 408 L CB -0.719 41.059 42.059 -0.468 0.000 0.889 408 L HN 0.351 nan 8.230 nan 0.000 0.432 409 D N -1.173 119.138 120.400 -0.148 0.000 2.110 409 D HA -0.133 4.508 4.640 0.002 0.000 0.202 409 D C 2.163 178.447 176.300 -0.026 0.000 0.975 409 D CA 1.524 55.499 54.000 -0.042 0.000 0.839 409 D CB 0.048 40.843 40.800 -0.009 0.000 0.996 409 D HN 0.381 nan 8.370 nan 0.000 0.464 410 M N 0.252 119.820 119.600 -0.053 0.000 2.175 410 M HA -0.085 4.396 4.480 0.002 0.000 0.264 410 M C 2.173 178.437 176.300 -0.060 0.000 1.063 410 M CA 1.133 56.406 55.300 -0.044 0.000 1.119 410 M CB -0.136 32.436 32.600 -0.048 0.000 1.377 410 M HN -0.007 nan 8.290 nan 0.000 0.415 411 E N -0.263 119.883 120.200 -0.089 0.000 2.216 411 E HA -0.087 4.264 4.350 0.002 0.000 0.192 411 E C 1.797 178.361 176.600 -0.060 0.000 0.988 411 E CA 0.834 57.183 56.400 -0.084 0.000 0.834 411 E CB 0.306 29.940 29.700 -0.110 0.000 0.772 411 E HN 0.358 nan 8.360 nan 0.000 0.479 412 S N 0.789 116.456 115.700 -0.055 0.000 2.348 412 S HA -0.006 4.465 4.470 0.002 0.000 0.219 412 S C 1.292 175.892 174.600 -0.001 0.000 1.033 412 S CA 0.754 58.936 58.200 -0.031 0.000 0.974 412 S CB 0.016 63.205 63.200 -0.018 0.000 0.868 412 S HN 0.263 nan 8.310 nan 0.000 0.459 413 N N 0.949 119.676 118.700 0.046 0.000 2.230 413 N HA 0.173 4.914 4.740 0.002 0.000 0.202 413 N C 0.416 175.953 175.510 0.046 0.000 1.119 413 N CA 0.034 53.159 53.050 0.124 0.000 0.851 413 N CB 0.410 39.086 38.487 0.315 0.000 0.990 413 N HN 0.304 nan 8.380 nan 0.000 0.497 414 G N 1.013 109.803 108.800 -0.018 0.000 3.343 414 G HA2 0.152 4.113 3.960 0.002 0.000 0.264 414 G HA3 0.152 4.113 3.960 0.002 0.000 0.264 414 G C 0.115 174.939 174.900 -0.125 0.000 0.884 414 G CA -0.189 44.863 45.100 -0.080 0.000 1.916 414 G HN -0.119 nan 8.290 nan 0.000 0.618 415 K N 0.822 121.161 120.400 -0.103 0.000 2.385 415 K HA 0.346 4.667 4.320 0.002 0.000 0.248 415 K C -0.552 176.026 176.600 -0.037 0.000 0.955 415 K CA -1.012 55.216 56.287 -0.098 0.000 0.816 415 K CB 1.900 34.416 32.500 0.027 0.000 1.250 415 K HN 0.304 nan 8.250 nan 0.000 0.434 416 Y N -2.296 117.997 120.300 -0.011 0.000 2.626 416 Y HA 0.394 4.945 4.550 0.002 0.000 0.248 416 Y C -0.094 175.794 175.900 -0.021 0.000 1.147 416 Y CA -1.127 56.950 58.100 -0.039 0.000 1.219 416 Y CB -0.249 38.183 38.460 -0.047 0.000 1.279 416 Y HN 0.030 nan 8.280 nan 0.000 0.541 417 V N 2.323 122.413 119.914 0.293 0.000 2.604 417 V HA 0.510 4.631 4.120 0.002 0.000 0.305 417 V C 0.398 176.568 176.094 0.126 0.000 1.043 417 V CA -0.470 61.932 62.300 0.171 0.000 0.888 417 V CB 1.766 33.696 31.823 0.179 0.000 0.995 417 V HN 0.422 nan 8.190 nan 0.000 0.429 418 T N 1.676 116.280 114.554 0.083 0.000 2.816 418 T HA 0.302 4.653 4.350 0.002 0.000 0.282 418 T C 1.083 175.837 174.700 0.091 0.000 0.993 418 T CA -0.457 61.690 62.100 0.078 0.000 0.994 418 T CB 0.830 69.724 68.868 0.043 0.000 1.025 418 T HN 0.566 nan 8.240 nan 0.000 0.529 419 R N 0.426 120.984 120.500 0.098 0.000 2.193 419 R HA -0.047 4.294 4.340 0.002 0.000 0.229 419 R C 2.519 178.873 176.300 0.088 0.000 1.110 419 R CA 1.308 57.477 56.100 0.116 0.000 0.988 419 R CB -0.376 30.006 30.300 0.136 0.000 0.871 419 R HN 0.853 nan 8.270 nan 0.000 0.458 420 S N -1.019 114.719 115.700 0.063 0.000 2.562 420 S HA 0.106 4.577 4.470 0.002 0.000 0.221 420 S C 1.360 175.979 174.600 0.033 0.000 0.975 420 S CA 0.393 58.620 58.200 0.044 0.000 0.918 420 S CB 0.690 63.908 63.200 0.029 0.000 0.772 420 S HN 0.468 nan 8.310 nan 0.000 0.531 421 G N 0.860 109.683 108.800 0.037 0.000 2.131 421 G HA2 -0.170 3.791 3.960 0.002 0.000 0.223 421 G HA3 -0.170 3.791 3.960 0.002 0.000 0.223 421 G C -0.159 174.745 174.900 0.007 0.000 0.990 421 G CA -0.072 45.041 45.100 0.022 0.000 0.671 421 G HN 0.447 nan 8.290 nan 0.000 0.521 422 K N 1.022 121.426 120.400 0.007 0.000 2.166 422 K HA 0.702 5.023 4.320 0.002 0.000 0.245 422 K C 0.745 177.336 176.600 -0.016 0.000 0.967 422 K CA -0.000 56.279 56.287 -0.013 0.000 0.863 422 K CB 0.976 33.466 32.500 -0.017 0.000 1.107 422 K HN 0.480 nan 8.250 nan 0.000 0.436 423 T N -2.219 112.308 114.554 -0.045 0.000 2.884 423 T HA 0.279 4.630 4.350 0.002 0.000 0.298 423 T C 0.737 175.407 174.700 -0.050 0.000 0.998 423 T CA -0.930 61.132 62.100 -0.064 0.000 1.124 423 T CB 0.401 69.197 68.868 -0.120 0.000 0.931 423 T HN 0.334 nan 8.240 nan 0.000 0.531 424 V N 1.714 121.607 119.914 -0.034 0.000 2.843 424 V HA 0.317 4.438 4.120 0.002 0.000 0.305 424 V C 0.761 176.804 176.094 -0.086 0.000 1.065 424 V CA -0.177 62.089 62.300 -0.057 0.000 1.116 424 V CB 0.824 32.609 31.823 -0.062 0.000 0.968 424 V HN 0.989 nan 8.190 nan 0.000 0.487 425 S N 1.845 117.479 115.700 -0.110 0.000 2.540 425 S HA 0.201 4.672 4.470 0.002 0.000 0.218 425 S C 0.692 175.222 174.600 -0.117 0.000 0.977 425 S CA 0.343 58.478 58.200 -0.108 0.000 0.918 425 S CB -0.137 62.997 63.200 -0.111 0.000 0.806 425 S HN 1.181 nan 8.310 nan 0.000 0.496 426 T N -0.853 113.611 114.554 -0.151 0.000 2.907 426 T HA 0.680 5.031 4.350 0.002 0.000 0.290 426 T C -0.312 174.244 174.700 -0.239 0.000 1.066 426 T CA -0.882 61.128 62.100 -0.150 0.000 1.012 426 T CB 0.810 69.602 68.868 -0.127 0.000 1.184 426 T HN -0.003 nan 8.240 nan 0.000 0.522 427 L N 2.204 123.280 121.223 -0.246 0.000 2.439 427 L HA 0.396 4.737 4.340 0.002 0.000 0.269 427 L C 1.550 177.966 176.870 -0.756 0.000 1.179 427 L CA -0.430 54.210 54.840 -0.332 0.000 0.828 427 L CB 1.057 42.994 42.059 -0.204 0.000 1.106 427 L HN 1.126 nan 8.230 nan 0.000 0.467 428 T N -0.872 113.202 114.554 -0.798 0.000 2.624 428 T HA 0.350 4.701 4.350 0.002 0.000 0.223 428 T C 0.640 174.731 174.700 -1.015 0.000 0.992 428 T CA -0.089 61.156 62.100 -1.424 0.000 1.111 428 T CB -0.099 68.323 68.868 -0.743 0.000 2.611 428 T HN 0.594 nan 8.240 nan 0.000 0.489 429 G N 3.346 111.881 108.800 -0.441 0.000 2.321 429 G HA2 0.455 4.416 3.960 0.002 0.000 0.237 429 G HA3 0.455 4.416 3.960 0.002 0.000 0.237 429 G C -2.145 172.748 174.900 -0.012 0.000 1.282 429 G CA -0.663 44.431 45.100 -0.010 0.000 0.886 429 G HN 0.685 nan 8.290 nan 0.000 0.528 430 P HA 0.415 nan 4.420 nan 0.000 0.281 430 P C -0.517 176.832 177.300 0.082 0.000 1.281 430 P CA -0.872 62.281 63.100 0.088 0.000 0.811 430 P CB 1.402 33.199 31.700 0.161 0.000 1.154 431 I N 0.801 121.425 120.570 0.091 0.000 2.416 431 I HA 0.125 4.296 4.170 0.002 0.000 0.288 431 I C 0.571 176.795 176.117 0.178 0.000 1.051 431 I CA -0.088 61.265 61.300 0.087 0.000 1.375 431 I CB -0.089 37.937 38.000 0.044 0.000 1.407 431 I HN 0.101 nan 8.210 nan 0.000 0.516 432 I N 7.702 128.358 120.570 0.144 0.000 2.392 432 I HA 0.455 4.626 4.170 0.002 0.000 0.295 432 I C -0.206 176.029 176.117 0.197 0.000 0.985 432 I CA -0.473 60.921 61.300 0.155 0.000 1.221 432 I CB 0.869 38.903 38.000 0.057 0.000 1.366 432 I HN 0.491 nan 8.210 nan 0.000 0.467 433 F N 2.618 122.524 119.950 -0.072 0.000 2.745 433 F HA 0.928 5.456 4.527 0.002 0.000 0.316 433 F C -0.347 175.366 175.800 -0.145 0.000 1.155 433 F CA -0.868 57.051 58.000 -0.136 0.000 0.937 433 F CB 1.675 40.548 39.000 -0.212 0.000 1.361 433 F HN 0.730 nan 8.300 nan 0.000 0.472 434 G N 0.783 109.443 108.800 -0.233 0.000 2.353 434 G HA2 0.459 4.420 3.960 0.002 0.000 0.308 434 G HA3 0.459 4.420 3.960 0.002 0.000 0.308 434 G C -2.359 172.608 174.900 0.112 0.000 1.418 434 G CA -0.910 44.069 45.100 -0.201 0.000 0.966 434 G HN 0.815 nan 8.290 nan 0.000 0.638 435 E N -1.064 119.321 120.200 0.309 0.000 2.413 435 E HA 0.663 5.014 4.350 0.002 0.000 0.277 435 E C 0.147 176.848 176.600 0.167 0.000 0.958 435 E CA -0.330 56.238 56.400 0.280 0.000 0.779 435 E CB 2.152 32.090 29.700 0.396 0.000 1.278 435 E HN 1.295 nan 8.360 nan 0.000 0.456 436 A N 0.881 123.774 122.820 0.122 0.000 2.511 436 A HA 0.485 4.806 4.320 0.002 0.000 0.242 436 A C 0.679 178.180 177.584 -0.138 0.000 1.069 436 A CA 0.669 52.727 52.037 0.035 0.000 0.763 436 A CB -0.042 19.020 19.000 0.102 0.000 1.001 436 A HN 0.491 nan 8.150 nan 0.000 0.498 437 G N 0.592 109.143 108.800 -0.415 0.000 2.527 437 G HA2 0.384 4.345 3.960 0.002 0.000 0.248 437 G HA3 0.384 4.345 3.960 0.002 0.000 0.248 437 G C 0.968 175.664 174.900 -0.340 0.000 1.231 437 G CA 0.406 44.928 45.100 -0.965 0.000 0.838 437 G HN 1.235 nan 8.290 nan 0.000 0.570 438 T N -0.913 113.583 114.554 -0.096 0.000 3.129 438 T HA -0.023 4.328 4.350 0.002 0.000 0.251 438 T C 1.669 176.276 174.700 -0.154 0.000 1.117 438 T CA 0.358 62.362 62.100 -0.160 0.000 1.034 438 T CB -0.193 68.759 68.868 0.140 0.000 0.968 438 T HN 0.386 nan 8.240 nan 0.000 0.526 439 N N 2.232 120.840 118.700 -0.153 0.000 2.132 439 N HA -0.034 4.707 4.740 0.002 0.000 0.191 439 N C 2.112 177.484 175.510 -0.230 0.000 1.015 439 N CA 1.607 54.582 53.050 -0.124 0.000 0.864 439 N CB -0.870 37.555 38.487 -0.104 0.000 1.006 439 N HN 0.591 nan 8.380 nan 0.000 0.430 440 G N 0.425 108.962 108.800 -0.438 0.000 2.450 440 G HA2 -0.288 3.673 3.960 0.002 0.000 0.220 440 G HA3 -0.288 3.673 3.960 0.002 0.000 0.220 440 G C 1.334 175.489 174.900 -1.241 0.000 1.130 440 G CA 0.548 45.107 45.100 -0.901 0.000 0.760 440 G HN 0.374 nan 8.290 nan 0.000 0.557 441 Q N -0.498 118.569 119.800 -1.221 0.000 2.226 441 Q HA -0.073 4.268 4.340 0.002 0.000 0.204 441 Q C 1.428 177.073 176.000 -0.591 0.000 0.975 441 Q CA 1.012 56.180 55.803 -1.058 0.000 0.866 441 Q CB -0.057 28.261 28.738 -0.700 0.000 0.915 441 Q HN 0.653 nan 8.270 nan 0.000 0.440 442 H N -2.117 116.764 119.070 -0.315 0.000 2.505 442 H HA 0.405 4.962 4.556 0.002 0.000 0.286 442 H C 0.652 175.909 175.328 -0.119 0.000 1.072 442 H CA 0.413 56.370 56.048 -0.151 0.000 1.141 442 H CB 0.827 30.519 29.762 -0.116 0.000 1.550 442 H HN 0.233 nan 8.280 nan 0.000 0.547 443 A N 0.666 123.419 122.820 -0.111 0.000 2.018 443 A HA 0.152 4.473 4.320 0.002 0.000 0.201 443 A C 0.906 178.565 177.584 0.125 0.000 1.892 443 A CA 0.042 52.071 52.037 -0.013 0.000 0.962 443 A CB -0.122 18.854 19.000 -0.039 0.000 1.195 443 A HN 0.217 nan 8.150 nan 0.000 0.615 444 F N -3.667 116.421 119.950 0.229 0.000 2.856 444 F HA 0.493 5.021 4.527 0.002 0.000 0.338 444 F C 0.973 177.006 175.800 0.388 0.000 1.100 444 F CA -0.767 57.398 58.000 0.277 0.000 1.150 444 F CB -0.074 39.097 39.000 0.285 0.000 1.101 444 F HN 0.075 nan 8.300 nan 0.000 0.548 445 Y N 1.712 122.032 120.300 0.033 0.000 2.421 445 Y HA -0.108 4.443 4.550 0.002 0.000 0.292 445 Y C 2.637 178.719 175.900 0.304 0.000 1.136 445 Y CA 1.275 59.487 58.100 0.186 0.000 1.255 445 Y CB -0.750 37.801 38.460 0.153 0.000 0.991 445 Y HN 0.330 nan 8.280 nan 0.000 0.552 446 Q N 0.638 120.664 119.800 0.377 0.000 2.096 446 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 446 Q C 2.177 178.323 176.000 0.244 0.000 0.982 446 Q CA 1.873 57.842 55.803 0.276 0.000 0.850 446 Q CB -0.737 28.109 28.738 0.180 0.000 0.901 446 Q HN 0.600 nan 8.270 nan 0.000 0.422 447 L N -0.676 120.692 121.223 0.242 0.000 2.109 447 L HA -0.012 4.329 4.340 0.002 0.000 0.207 447 L C 2.129 179.097 176.870 0.164 0.000 1.086 447 L CA 0.981 55.928 54.840 0.179 0.000 0.760 447 L CB -0.140 42.018 42.059 0.165 0.000 0.910 447 L HN 0.332 nan 8.230 nan 0.000 0.437 448 I N -1.012 119.669 120.570 0.186 0.000 2.286 448 I HA -0.292 3.879 4.170 0.002 0.000 0.248 448 I C 2.305 178.420 176.117 -0.004 0.000 1.115 448 I CA 0.953 62.285 61.300 0.053 0.000 1.392 448 I CB -0.549 37.404 38.000 -0.078 0.000 1.065 448 I HN 0.370 nan 8.210 nan 0.000 0.418 449 H N 0.340 119.502 119.070 0.154 0.000 2.384 449 H HA 0.081 4.638 4.556 0.002 0.000 0.300 449 H C 1.242 176.626 175.328 0.094 0.000 1.057 449 H CA 1.037 57.199 56.048 0.191 0.000 1.370 449 H CB 0.276 30.246 29.762 0.347 0.000 1.417 449 H HN 0.430 nan 8.280 nan 0.000 0.527 450 Q N 0.365 120.259 119.800 0.156 0.000 2.135 450 Q HA 0.235 4.576 4.340 0.002 0.000 0.222 450 Q C 0.603 176.619 176.000 0.027 0.000 0.808 450 Q CA -0.387 55.422 55.803 0.010 0.000 1.049 450 Q CB 1.810 30.477 28.738 -0.119 0.000 1.168 450 Q HN 0.201 nan 8.270 nan 0.000 0.483 451 G N 0.188 109.026 108.800 0.063 0.000 2.537 451 G HA2 0.190 4.151 3.960 0.002 0.000 0.297 451 G HA3 0.190 4.151 3.960 0.002 0.000 0.297 451 G C 0.711 175.637 174.900 0.043 0.000 1.310 451 G CA -0.203 44.928 45.100 0.051 0.000 1.027 451 G HN 0.169 nan 8.290 nan 0.000 0.505 452 T N -1.909 112.666 114.554 0.035 0.000 3.163 452 T HA 0.228 4.579 4.350 0.002 0.000 0.252 452 T C 0.374 175.100 174.700 0.043 0.000 1.056 452 T CA -0.374 61.747 62.100 0.035 0.000 0.947 452 T CB -0.297 68.585 68.868 0.024 0.000 1.016 452 T HN 0.252 nan 8.240 nan 0.000 0.554 453 N N 1.362 120.091 118.700 0.048 0.000 2.269 453 N HA 0.334 5.075 4.740 0.002 0.000 0.304 453 N C -1.464 174.086 175.510 0.067 0.000 1.072 453 N CA -0.711 52.372 53.050 0.054 0.000 0.802 453 N CB 2.168 40.676 38.487 0.036 0.000 1.348 453 N HN 0.131 nan 8.380 nan 0.000 0.484 454 L N 3.503 124.775 121.223 0.081 0.000 2.278 454 L HA 0.461 4.802 4.340 0.002 0.000 0.287 454 L C -0.668 176.229 176.870 0.044 0.000 1.072 454 L CA -0.161 54.722 54.840 0.072 0.000 0.819 454 L CB -0.242 41.890 42.059 0.122 0.000 1.176 454 L HN 0.508 nan 8.230 nan 0.000 0.435 455 I N 7.425 128.003 120.570 0.013 0.000 2.437 455 I HA 0.287 4.457 4.170 0.002 0.000 0.279 455 I C -2.174 173.895 176.117 -0.081 0.000 1.028 455 I CA -1.809 59.505 61.300 0.023 0.000 1.142 455 I CB 1.680 39.746 38.000 0.111 0.000 1.266 455 I HN 0.415 nan 8.210 nan 0.000 0.461 456 P HA 0.088 nan 4.420 nan 0.000 0.267 456 P C -0.904 176.233 177.300 -0.272 0.000 1.205 456 P CA -0.077 62.907 63.100 -0.194 0.000 0.765 456 P CB 0.481 32.160 31.700 -0.034 0.000 0.828 457 C N 2.884 122.067 119.300 -0.195 0.000 2.507 457 C HA 0.426 4.887 4.460 0.002 0.000 0.319 457 C C -0.328 174.643 174.990 -0.031 0.000 1.208 457 C CA -0.284 58.605 59.018 -0.215 0.000 1.619 457 C CB 1.332 29.061 27.740 -0.017 0.000 2.230 457 C HN 0.493 nan 8.230 nan 0.000 0.492 458 D N 1.634 121.972 120.400 -0.103 0.000 2.414 458 D HA 0.465 5.106 4.640 0.002 0.000 0.232 458 D C -0.884 175.499 176.300 0.138 0.000 1.070 458 D CA -0.013 54.079 54.000 0.154 0.000 0.839 458 D CB 0.659 41.632 40.800 0.287 0.000 1.079 458 D HN 0.267 nan 8.370 nan 0.000 0.521 459 F N 2.406 122.423 119.950 0.111 0.000 2.385 459 F HA 0.436 4.964 4.527 0.002 0.000 0.360 459 F C 0.483 176.527 175.800 0.408 0.000 1.122 459 F CA -0.636 57.477 58.000 0.190 0.000 1.090 459 F CB 0.778 39.668 39.000 -0.183 0.000 1.150 459 F HN 0.119 nan 8.300 nan 0.000 0.472 460 I N 3.158 124.094 120.570 0.610 0.000 2.378 460 I HA 0.728 4.899 4.170 0.002 0.000 0.291 460 I C 0.305 176.594 176.117 0.288 0.000 0.992 460 I CA -0.411 61.169 61.300 0.466 0.000 1.154 460 I CB 1.612 39.809 38.000 0.328 0.000 1.315 460 I HN 0.664 nan 8.210 nan 0.000 0.448 461 G N 3.814 112.614 108.800 -0.000 0.000 2.695 461 G HA2 0.815 4.776 3.960 0.002 0.000 0.290 461 G HA3 0.815 4.776 3.960 0.002 0.000 0.290 461 G C -1.953 172.833 174.900 -0.190 0.000 1.410 461 G CA -0.689 44.114 45.100 -0.495 0.000 0.844 461 G HN 0.738 nan 8.290 nan 0.000 0.478 462 A N -0.287 122.464 122.820 -0.114 0.000 2.365 462 A HA 0.714 5.035 4.320 0.002 0.000 0.318 462 A C 0.841 178.507 177.584 0.137 0.000 1.091 462 A CA -0.743 51.318 52.037 0.040 0.000 0.763 462 A CB 1.063 20.122 19.000 0.100 0.000 1.248 462 A HN 0.589 nan 8.150 nan 0.000 0.442 463 I N 0.073 120.724 120.570 0.135 0.000 2.286 463 I HA -0.150 4.021 4.170 0.002 0.000 0.245 463 I C 0.820 177.080 176.117 0.239 0.000 1.104 463 I CA 1.190 62.623 61.300 0.222 0.000 1.397 463 I CB 0.019 38.126 38.000 0.178 0.000 1.072 463 I HN 0.638 nan 8.210 nan 0.000 0.417 464 Q N 0.447 120.289 119.800 0.070 0.000 2.316 464 Q HA 0.365 4.706 4.340 0.002 0.000 0.264 464 Q C -0.507 175.363 176.000 -0.218 0.000 0.987 464 Q CA -0.327 55.431 55.803 -0.074 0.000 0.852 464 Q CB 2.547 31.272 28.738 -0.022 0.000 1.287 464 Q HN 0.079 nan 8.270 nan 0.000 0.448 465 S N 0.909 116.326 115.700 -0.472 0.000 2.646 465 S HA 0.109 4.580 4.470 0.002 0.000 0.276 465 S C 0.617 175.142 174.600 -0.126 0.000 1.222 465 S CA -0.384 57.603 58.200 -0.355 0.000 1.014 465 S CB 0.870 63.775 63.200 -0.492 0.000 0.991 465 S HN 0.575 nan 8.310 nan 0.000 0.533 466 Q N 1.579 121.364 119.800 -0.026 0.000 2.424 466 Q HA 0.228 4.569 4.340 0.002 0.000 0.204 466 Q C -0.456 175.518 176.000 -0.044 0.000 0.933 466 Q CA 0.524 56.309 55.803 -0.031 0.000 0.929 466 Q CB -0.089 28.631 28.738 -0.030 0.000 1.037 466 Q HN 0.517 nan 8.270 nan 0.000 0.511 467 N N 1.435 120.110 118.700 -0.042 0.000 2.483 467 N HA 0.134 4.875 4.740 0.002 0.000 0.267 467 N C -0.746 174.722 175.510 -0.069 0.000 0.998 467 N CA -0.314 52.700 53.050 -0.060 0.000 0.918 467 N CB 1.357 39.799 38.487 -0.075 0.000 1.215 467 N HN -0.193 nan 8.380 nan 0.000 0.500 468 K N 2.803 123.170 120.400 -0.054 0.000 2.180 468 K HA 0.332 4.653 4.320 0.002 0.000 0.250 468 K C -0.147 176.436 176.600 -0.027 0.000 1.135 468 K CA -0.299 55.971 56.287 -0.028 0.000 1.037 468 K CB 0.434 32.923 32.500 -0.017 0.000 1.624 468 K HN 0.464 nan 8.250 nan 0.000 0.382 469 I N 1.807 122.356 120.570 -0.034 0.000 2.371 469 I HA 0.161 4.332 4.170 0.002 0.000 0.282 469 I C 1.369 177.540 176.117 0.091 0.000 1.031 469 I CA -0.152 61.113 61.300 -0.058 0.000 1.180 469 I CB 0.250 38.080 38.000 -0.284 0.000 1.336 469 I HN 0.704 nan 8.210 nan 0.000 0.467 470 G N 7.327 116.186 108.800 0.099 0.000 2.672 470 G HA2 -0.312 3.649 3.960 0.002 0.000 0.324 470 G HA3 -0.312 3.649 3.960 0.002 0.000 0.324 470 G C 0.443 175.429 174.900 0.145 0.000 1.286 470 G CA 0.576 45.757 45.100 0.135 0.000 1.004 470 G HN 0.555 nan 8.290 nan 0.000 0.548 471 D N 0.097 120.582 120.400 0.143 0.000 2.424 471 D HA 0.203 4.844 4.640 0.002 0.000 0.220 471 D C 1.696 178.067 176.300 0.119 0.000 1.150 471 D CA 0.025 54.090 54.000 0.108 0.000 0.831 471 D CB -0.257 40.574 40.800 0.051 0.000 0.981 471 D HN 0.568 nan 8.370 nan 0.000 0.500 472 H N 0.019 119.134 119.070 0.075 0.000 2.353 472 H HA -0.154 4.403 4.556 0.002 0.000 0.298 472 H C 1.863 177.290 175.328 0.164 0.000 1.103 472 H CA 1.275 57.370 56.048 0.078 0.000 1.293 472 H CB 0.229 30.002 29.762 0.018 0.000 1.372 472 H HN 0.412 nan 8.280 nan 0.000 0.501 473 H N 1.453 120.659 119.070 0.226 0.000 2.353 473 H HA -0.105 4.452 4.556 0.002 0.000 0.300 473 H C 2.348 177.823 175.328 0.245 0.000 1.090 473 H CA 1.741 57.942 56.048 0.254 0.000 1.327 473 H CB 0.349 30.226 29.762 0.191 0.000 1.383 473 H HN 0.438 nan 8.280 nan 0.000 0.508 474 K N 0.330 120.835 120.400 0.175 0.000 2.155 474 K HA -0.048 4.273 4.320 0.002 0.000 0.203 474 K C 2.097 178.751 176.600 0.090 0.000 1.052 474 K CA 1.405 57.758 56.287 0.111 0.000 0.948 474 K CB -0.211 32.363 32.500 0.123 0.000 0.728 474 K HN 0.226 nan 8.250 nan 0.000 0.448 475 I N 0.615 121.244 120.570 0.099 0.000 2.252 475 I HA -0.194 3.977 4.170 0.002 0.000 0.245 475 I C 2.356 178.562 176.117 0.148 0.000 1.102 475 I CA 0.920 62.270 61.300 0.085 0.000 1.385 475 I CB -0.277 37.736 38.000 0.022 0.000 1.064 475 I HN 0.120 nan 8.210 nan 0.000 0.414 476 F N 1.590 121.529 119.950 -0.018 0.000 2.075 476 F HA -0.222 4.306 4.527 0.002 0.000 0.297 476 F C 2.407 178.196 175.800 -0.019 0.000 1.113 476 F CA 1.685 59.682 58.000 -0.004 0.000 1.218 476 F CB -0.293 38.688 39.000 -0.032 0.000 0.984 476 F HN -0.058 nan 8.300 nan 0.000 0.472 477 M N 0.433 119.879 119.600 -0.255 0.000 2.476 477 M HA -0.077 4.404 4.480 0.002 0.000 0.262 477 M C 2.385 178.548 176.300 -0.228 0.000 1.079 477 M CA 1.308 56.336 55.300 -0.453 0.000 1.104 477 M CB -1.760 30.574 32.600 -0.443 0.000 1.409 477 M HN 0.409 nan 8.290 nan 0.000 0.467 478 S N 0.436 116.132 115.700 -0.007 0.000 2.402 478 S HA -0.081 4.390 4.470 0.002 0.000 0.229 478 S C 1.630 176.253 174.600 0.037 0.000 1.021 478 S CA 0.951 59.208 58.200 0.096 0.000 0.974 478 S CB -0.423 62.831 63.200 0.089 0.000 0.800 478 S HN 0.482 nan 8.310 nan 0.000 0.484 479 N N 0.672 119.377 118.700 0.009 0.000 2.216 479 N HA 0.009 4.750 4.740 0.002 0.000 0.183 479 N C 1.415 176.871 175.510 -0.091 0.000 1.017 479 N CA 1.166 54.248 53.050 0.053 0.000 0.861 479 N CB -0.470 38.149 38.487 0.220 0.000 0.986 479 N HN 0.491 nan 8.380 nan 0.000 0.428 480 F N 1.562 121.174 119.950 -0.564 0.000 2.095 480 F HA -0.166 4.362 4.527 0.002 0.000 0.298 480 F C 1.744 177.117 175.800 -0.712 0.000 1.104 480 F CA 1.448 58.850 58.000 -0.997 0.000 1.232 480 F CB -0.352 37.921 39.000 -1.212 0.000 0.987 480 F HN -0.137 nan 8.300 nan 0.000 0.475 481 F N 0.188 119.975 119.950 -0.272 0.000 2.234 481 F HA 0.120 4.647 4.527 0.002 0.000 0.296 481 F C 2.531 178.141 175.800 -0.316 0.000 1.089 481 F CA 0.779 58.584 58.000 -0.324 0.000 1.343 481 F CB -1.641 37.283 39.000 -0.126 0.000 1.040 481 F HN 0.046 nan 8.300 nan 0.000 0.498 482 A N -0.283 122.501 122.820 -0.059 0.000 1.930 482 A HA -0.143 4.178 4.320 0.002 0.000 0.217 482 A C 2.223 179.730 177.584 -0.128 0.000 1.175 482 A CA 1.134 53.124 52.037 -0.078 0.000 0.627 482 A CB -0.526 18.455 19.000 -0.031 0.000 0.815 482 A HN 0.255 nan 8.150 nan 0.000 0.443 483 Q N -0.169 119.540 119.800 -0.152 0.000 2.124 483 Q HA -0.143 4.198 4.340 0.002 0.000 0.202 483 Q C 2.379 178.193 176.000 -0.310 0.000 0.977 483 Q CA 2.202 57.962 55.803 -0.072 0.000 0.850 483 Q CB -0.949 27.909 28.738 0.200 0.000 0.901 483 Q HN 0.880 nan 8.270 nan 0.000 0.429 484 T N -1.652 112.501 114.554 -0.668 0.000 2.857 484 T HA -0.117 4.234 4.350 0.002 0.000 0.266 484 T C 1.735 176.230 174.700 -0.341 0.000 1.048 484 T CA 1.269 62.975 62.100 -0.656 0.000 1.139 484 T CB -0.086 68.308 68.868 -0.791 0.000 0.874 484 T HN 0.332 nan 8.240 nan 0.000 0.455 485 E N 1.524 121.557 120.200 -0.278 0.000 2.072 485 E HA -0.057 4.294 4.350 0.002 0.000 0.191 485 E C 2.478 178.981 176.600 -0.163 0.000 0.985 485 E CA 0.940 57.209 56.400 -0.217 0.000 0.801 485 E CB -0.427 29.162 29.700 -0.186 0.000 0.750 485 E HN 0.615 nan 8.360 nan 0.000 0.452 486 A N 1.151 123.900 122.820 -0.119 0.000 1.902 486 A HA -0.159 4.162 4.320 0.002 0.000 0.217 486 A C 2.212 179.827 177.584 0.052 0.000 1.181 486 A CA 1.132 53.130 52.037 -0.064 0.000 0.623 486 A CB -0.701 18.275 19.000 -0.041 0.000 0.818 486 A HN 0.320 nan 8.150 nan 0.000 0.443 487 L N -1.437 119.823 121.223 0.062 0.000 2.083 487 L HA -0.188 4.153 4.340 0.002 0.000 0.209 487 L C 2.819 179.692 176.870 0.006 0.000 1.083 487 L CA 1.774 56.632 54.840 0.030 0.000 0.752 487 L CB -0.311 41.682 42.059 -0.110 0.000 0.899 487 L HN 0.591 nan 8.230 nan 0.000 0.433 488 M N 0.147 119.712 119.600 -0.059 0.000 2.191 488 M HA -0.123 4.358 4.480 0.002 0.000 0.262 488 M C 2.293 178.560 176.300 -0.054 0.000 1.083 488 M CA 1.652 56.911 55.300 -0.068 0.000 1.154 488 M CB 0.078 32.596 32.600 -0.136 0.000 1.344 488 M HN 0.259 nan 8.290 nan 0.000 0.431 489 I N -1.559 118.960 120.570 -0.085 0.000 2.406 489 I HA 0.274 4.445 4.170 0.002 0.000 0.249 489 I C 1.296 177.401 176.117 -0.020 0.000 1.122 489 I CA 0.668 61.924 61.300 -0.073 0.000 1.431 489 I CB -1.195 36.736 38.000 -0.117 0.000 1.087 489 I HN 0.471 nan 8.210 nan 0.000 0.424 490 G N 1.840 110.639 108.800 -0.002 0.000 2.601 490 G HA2 -0.334 3.627 3.960 0.002 0.000 0.252 490 G HA3 -0.334 3.627 3.960 0.002 0.000 0.252 490 G C -0.276 174.627 174.900 0.005 0.000 1.294 490 G CA 0.384 45.525 45.100 0.067 0.000 0.912 490 G HN 0.791 nan 8.290 nan 0.000 0.574 491 K N -0.383 120.084 120.400 0.111 0.000 2.651 491 K HA 0.542 4.863 4.320 0.002 0.000 0.259 491 K C 0.337 177.015 176.600 0.129 0.000 1.017 491 K CA 0.141 56.478 56.287 0.082 0.000 0.897 491 K CB 0.961 33.497 32.500 0.060 0.000 1.262 491 K HN 1.283 nan 8.250 nan 0.000 0.460 492 S N 3.255 118.998 115.700 0.072 0.000 2.593 492 S HA 0.280 4.751 4.470 0.002 0.000 0.269 492 S C -1.375 173.261 174.600 0.060 0.000 1.334 492 S CA -0.862 57.375 58.200 0.061 0.000 1.015 492 S CB 0.809 64.031 63.200 0.037 0.000 0.912 492 S HN 0.582 nan 8.310 nan 0.000 0.541 493 P HA -0.048 nan 4.420 nan 0.000 0.225 493 P C 1.339 178.659 177.300 0.034 0.000 1.148 493 P CA 0.884 64.008 63.100 0.041 0.000 0.779 493 P CB 0.013 31.730 31.700 0.027 0.000 0.780 494 S N -0.095 115.622 115.700 0.028 0.000 2.395 494 S HA -0.079 4.392 4.470 0.002 0.000 0.225 494 S C 1.902 176.514 174.600 0.020 0.000 1.027 494 S CA 0.813 59.025 58.200 0.021 0.000 0.965 494 S CB -0.506 62.703 63.200 0.016 0.000 0.812 494 S HN 0.143 nan 8.310 nan 0.000 0.482 495 E N 0.206 120.420 120.200 0.023 0.000 2.152 495 E HA -0.059 4.292 4.350 0.002 0.000 0.192 495 E C 2.011 178.626 176.600 0.026 0.000 0.983 495 E CA 1.136 57.547 56.400 0.018 0.000 0.818 495 E CB -0.031 29.677 29.700 0.013 0.000 0.758 495 E HN 0.355 nan 8.360 nan 0.000 0.467 496 V N 1.108 121.048 119.914 0.043 0.000 2.427 496 V HA -0.218 3.903 4.120 0.002 0.000 0.248 496 V C 2.364 178.481 176.094 0.039 0.000 1.051 496 V CA 1.610 63.942 62.300 0.053 0.000 1.048 496 V CB -0.442 31.425 31.823 0.074 0.000 0.666 496 V HN 0.181 nan 8.190 nan 0.000 0.456 497 R N 0.250 120.769 120.500 0.031 0.000 2.073 497 R HA -0.122 4.219 4.340 0.002 0.000 0.234 497 R C 2.514 178.825 176.300 0.018 0.000 1.134 497 R CA 1.502 57.616 56.100 0.024 0.000 0.952 497 R CB -0.142 30.171 30.300 0.021 0.000 0.850 497 R HN 0.404 nan 8.270 nan 0.000 0.433 498 R N -0.049 120.460 120.500 0.015 0.000 2.189 498 R HA -0.089 4.252 4.340 0.002 0.000 0.223 498 R C 2.127 178.432 176.300 0.009 0.000 1.092 498 R CA 1.050 57.155 56.100 0.009 0.000 0.989 498 R CB -0.062 30.241 30.300 0.005 0.000 0.876 498 R HN 0.382 nan 8.270 nan 0.000 0.457 499 E N 1.037 121.245 120.200 0.013 0.000 2.122 499 E HA -0.078 4.273 4.350 0.002 0.000 0.190 499 E C 1.770 178.379 176.600 0.015 0.000 0.977 499 E CA 0.597 57.005 56.400 0.012 0.000 0.820 499 E CB 0.222 29.932 29.700 0.017 0.000 0.770 499 E HN 0.300 nan 8.360 nan 0.000 0.462 500 L N 0.560 121.795 121.223 0.020 0.000 2.313 500 L HA -0.036 4.305 4.340 0.002 0.000 0.214 500 L C 2.194 179.073 176.870 0.014 0.000 1.119 500 L CA 0.638 55.490 54.840 0.020 0.000 0.809 500 L CB -0.051 42.023 42.059 0.025 0.000 0.933 500 L HN 0.121 nan 8.230 nan 0.000 0.449 501 E N 0.408 120.615 120.200 0.012 0.000 2.045 501 E HA -0.004 4.347 4.350 0.002 0.000 0.190 501 E C 1.545 178.149 176.600 0.007 0.000 0.968 501 E CA 0.664 57.069 56.400 0.009 0.000 0.813 501 E CB -0.017 29.688 29.700 0.009 0.000 0.780 501 E HN 0.331 nan 8.360 nan 0.000 0.455 502 A N 0.266 123.089 122.820 0.006 0.000 2.478 502 A HA 0.302 4.623 4.320 0.002 0.000 0.239 502 A C 0.938 178.524 177.584 0.004 0.000 1.480 502 A CA 0.856 52.895 52.037 0.003 0.000 1.308 502 A CB -0.609 18.392 19.000 0.001 0.000 0.899 502 A HN 0.284 nan 8.150 nan 0.000 0.600 503 A N -1.850 120.973 122.820 0.005 0.000 1.895 503 A HA 0.543 4.864 4.320 0.002 0.000 0.198 503 A C 1.318 178.905 177.584 0.005 0.000 1.709 503 A CA 0.993 53.033 52.037 0.005 0.000 1.194 503 A CB 0.052 19.057 19.000 0.008 0.000 1.260 503 A HN 1.711 nan 8.150 nan 0.000 0.441 504 G N -0.542 108.261 108.800 0.006 0.000 2.789 504 G HA2 0.124 4.085 3.960 0.002 0.000 0.218 504 G HA3 0.124 4.085 3.960 0.002 0.000 0.218 504 G C -0.544 174.359 174.900 0.006 0.000 0.980 504 G CA 0.210 45.313 45.100 0.005 0.000 0.848 504 G HN 0.342 nan 8.290 nan 0.000 0.591 505 E N 0.667 120.871 120.200 0.007 0.000 2.156 505 E HA 0.720 5.071 4.350 0.002 0.000 0.279 505 E C 1.289 177.894 176.600 0.008 0.000 0.965 505 E CA -0.783 55.622 56.400 0.008 0.000 0.789 505 E CB 0.769 30.476 29.700 0.011 0.000 1.098 505 E HN 0.356 nan 8.360 nan 0.000 0.397 506 R N 1.829 122.333 120.500 0.007 0.000 2.310 506 R HA 0.225 4.566 4.340 0.002 0.000 0.199 506 R C 0.443 176.748 176.300 0.007 0.000 0.891 506 R CA -0.201 55.903 56.100 0.007 0.000 1.060 506 R CB 0.227 30.530 30.300 0.005 0.000 1.188 506 R HN 0.342 nan 8.270 nan 0.000 0.607 507 S N 1.122 116.826 115.700 0.007 0.000 2.509 507 S HA 0.191 4.662 4.470 0.002 0.000 0.287 507 S C 1.207 175.813 174.600 0.010 0.000 1.248 507 S CA -0.129 58.075 58.200 0.008 0.000 1.089 507 S CB 1.035 64.239 63.200 0.007 0.000 0.900 507 S HN 0.400 nan 8.310 nan 0.000 0.496 508 A N 4.766 127.592 122.820 0.010 0.000 1.969 508 A HA -0.049 4.272 4.320 0.002 0.000 0.218 508 A C 2.110 179.702 177.584 0.014 0.000 1.169 508 A CA 1.121 53.165 52.037 0.012 0.000 0.635 508 A CB -0.414 18.593 19.000 0.010 0.000 0.810 508 A HN 0.860 nan 8.150 nan 0.000 0.445 509 E N 0.217 120.425 120.200 0.013 0.000 2.152 509 E HA -0.111 4.240 4.350 0.002 0.000 0.192 509 E C 1.697 178.308 176.600 0.018 0.000 0.983 509 E CA 0.863 57.273 56.400 0.015 0.000 0.818 509 E CB -0.092 29.616 29.700 0.013 0.000 0.758 509 E HN 0.611 nan 8.360 nan 0.000 0.467 510 K N 0.189 120.598 120.400 0.016 0.000 2.217 510 K HA 0.011 4.332 4.320 0.002 0.000 0.202 510 K C 2.144 178.757 176.600 0.022 0.000 1.051 510 K CA 0.426 56.722 56.287 0.016 0.000 0.952 510 K CB 0.234 32.740 32.500 0.010 0.000 0.736 510 K HN 0.176 nan 8.250 nan 0.000 0.453 511 I N 0.947 121.531 120.570 0.023 0.000 2.277 511 I HA -0.190 3.981 4.170 0.002 0.000 0.243 511 I C 1.562 177.701 176.117 0.035 0.000 1.094 511 I CA 1.153 62.470 61.300 0.028 0.000 1.393 511 I CB -0.603 37.411 38.000 0.022 0.000 1.078 511 I HN 0.144 nan 8.210 nan 0.000 0.417 512 N N 1.101 119.819 118.700 0.031 0.000 2.289 512 N HA -0.091 4.650 4.740 0.002 0.000 0.184 512 N C 1.800 177.338 175.510 0.047 0.000 1.016 512 N CA 1.392 54.462 53.050 0.033 0.000 0.872 512 N CB -0.038 38.463 38.487 0.025 0.000 0.973 512 N HN 0.331 nan 8.380 nan 0.000 0.433 513 A N -0.206 122.646 122.820 0.054 0.000 1.930 513 A HA 0.058 4.378 4.320 0.002 0.000 0.215 513 A C 2.033 179.703 177.584 0.142 0.000 1.176 513 A CA 0.674 52.760 52.037 0.080 0.000 0.632 513 A CB -0.335 18.695 19.000 0.050 0.000 0.819 513 A HN 0.243 nan 8.150 nan 0.000 0.445 514 L N -0.473 120.812 121.223 0.104 0.000 2.270 514 L HA 0.005 4.346 4.340 0.002 0.000 0.210 514 L C 2.303 179.257 176.870 0.141 0.000 1.104 514 L CA 0.255 55.171 54.840 0.126 0.000 0.804 514 L CB -0.311 41.785 42.059 0.061 0.000 0.937 514 L HN 0.393 nan 8.230 nan 0.000 0.450 515 L N 0.771 122.048 121.223 0.090 0.000 1.991 515 L HA -0.231 4.110 4.340 0.002 0.000 0.221 515 L C -0.131 176.759 176.870 0.033 0.000 1.079 515 L CA 2.038 56.913 54.840 0.058 0.000 0.778 515 L CB -1.994 40.088 42.059 0.038 0.000 0.893 515 L HN 0.261 nan 8.230 nan 0.000 0.437 516 P HA -0.177 nan 4.420 nan 0.000 0.221 516 P C 1.233 178.429 177.300 -0.174 0.000 1.150 516 P CA 1.594 64.625 63.100 -0.115 0.000 0.800 516 P CB -0.291 31.295 31.700 -0.190 0.000 0.787 517 H N 0.534 119.584 119.070 -0.034 0.000 2.457 517 H HA 0.074 4.631 4.556 0.002 0.000 0.294 517 H C 1.378 176.650 175.328 -0.093 0.000 1.064 517 H CA 1.056 57.069 56.048 -0.058 0.000 1.330 517 H CB 0.090 29.833 29.762 -0.032 0.000 1.395 517 H HN 0.303 nan 8.280 nan 0.000 0.541 518 K N 0.747 121.185 120.400 0.063 0.000 2.372 518 K HA 0.119 4.440 4.320 0.002 0.000 0.200 518 K C 0.180 176.835 176.600 0.093 0.000 1.022 518 K CA -0.030 56.299 56.287 0.071 0.000 1.125 518 K CB 0.836 33.415 32.500 0.132 0.000 0.855 518 K HN -0.052 nan 8.250 nan 0.000 0.524 519 T N 1.249 115.796 114.554 -0.012 0.000 2.856 519 T HA 0.302 4.653 4.350 0.002 0.000 0.292 519 T C -0.565 174.098 174.700 -0.063 0.000 0.980 519 T CA -0.026 62.106 62.100 0.054 0.000 1.091 519 T CB 0.318 69.195 68.868 0.016 0.000 0.936 519 T HN -0.091 nan 8.240 nan 0.000 0.503 520 F N 3.226 123.191 119.950 0.024 0.000 2.427 520 F HA 0.364 4.892 4.527 0.002 0.000 0.348 520 F C 1.514 177.342 175.800 0.046 0.000 1.125 520 F CA -1.455 56.571 58.000 0.043 0.000 0.989 520 F CB 0.648 39.670 39.000 0.036 0.000 1.165 520 F HN 0.539 nan 8.300 nan 0.000 0.442 521 I N 1.055 121.732 120.570 0.177 0.000 2.361 521 I HA 0.170 4.341 4.170 0.002 0.000 0.251 521 I C 1.332 177.540 176.117 0.151 0.000 1.133 521 I CA 0.956 62.337 61.300 0.135 0.000 1.413 521 I CB -0.917 37.144 38.000 0.101 0.000 1.073 521 I HN 0.692 nan 8.210 nan 0.000 0.424 522 G N 1.137 110.051 108.800 0.191 0.000 2.601 522 G HA2 -0.106 3.855 3.960 0.002 0.000 0.252 522 G HA3 -0.106 3.855 3.960 0.002 0.000 0.252 522 G C 0.752 175.731 174.900 0.133 0.000 1.294 522 G CA 0.225 45.416 45.100 0.151 0.000 0.912 522 G HN 1.624 nan 8.290 nan 0.000 0.574 523 G N -1.386 107.470 108.800 0.094 0.000 2.225 523 G HA2 -0.211 3.750 3.960 0.002 0.000 0.267 523 G HA3 -0.211 3.750 3.960 0.002 0.000 0.267 523 G C 0.391 175.387 174.900 0.161 0.000 1.024 523 G CA 1.604 46.771 45.100 0.111 0.000 0.784 523 G HN 1.046 nan 8.290 nan 0.000 0.507 524 R N 0.977 121.533 120.500 0.092 0.000 2.265 524 R HA 0.439 4.780 4.340 0.002 0.000 0.319 524 R C -2.156 174.138 176.300 -0.010 0.000 1.006 524 R CA -1.740 54.397 56.100 0.062 0.000 0.880 524 R CB 1.769 32.086 30.300 0.027 0.000 1.077 524 R HN 0.197 nan 8.270 nan 0.000 0.454 525 P HA 0.082 nan 4.420 nan 0.000 0.276 525 P C -0.883 176.372 177.300 -0.074 0.000 1.244 525 P CA -0.304 62.749 63.100 -0.079 0.000 0.801 525 P CB 1.453 33.009 31.700 -0.240 0.000 1.006 526 S N 0.408 116.105 115.700 -0.005 0.000 2.552 526 S HA 0.455 4.926 4.470 0.002 0.000 0.272 526 S C -1.185 173.473 174.600 0.095 0.000 1.150 526 S CA -0.960 57.264 58.200 0.040 0.000 0.849 526 S CB 0.996 64.164 63.200 -0.054 0.000 1.113 526 S HN 0.381 nan 8.310 nan 0.000 0.458 527 N N 0.941 119.739 118.700 0.164 0.000 2.314 527 N HA 0.617 5.358 4.740 0.002 0.000 0.304 527 N C -1.319 174.294 175.510 0.171 0.000 1.073 527 N CA -0.307 52.853 53.050 0.183 0.000 0.822 527 N CB 2.069 40.698 38.487 0.236 0.000 1.280 527 N HN 0.724 nan 8.380 nan 0.000 0.489 528 T N 1.874 116.496 114.554 0.114 0.000 2.786 528 T HA 0.483 4.834 4.350 0.002 0.000 0.283 528 T C 0.012 174.840 174.700 0.212 0.000 0.992 528 T CA -0.427 61.752 62.100 0.132 0.000 0.954 528 T CB 0.704 69.572 68.868 -0.000 0.000 0.934 528 T HN 0.156 nan 8.240 nan 0.000 0.440 529 L N 4.241 125.668 121.223 0.340 0.000 2.298 529 L HA 0.606 4.947 4.340 0.002 0.000 0.284 529 L C -0.919 176.215 176.870 0.439 0.000 1.013 529 L CA -0.844 54.189 54.840 0.322 0.000 0.824 529 L CB 1.346 43.570 42.059 0.274 0.000 1.221 529 L HN 0.352 nan 8.230 nan 0.000 0.418 530 L N 5.986 127.501 121.223 0.486 0.000 2.356 530 L HA 0.678 5.019 4.340 0.002 0.000 0.277 530 L C -0.406 176.703 176.870 0.398 0.000 0.996 530 L CA -0.304 54.833 54.840 0.495 0.000 0.822 530 L CB 1.591 44.063 42.059 0.688 0.000 1.256 530 L HN 0.467 nan 8.230 nan 0.000 0.413 531 I N 0.478 121.133 120.570 0.141 0.000 2.910 531 I HA 0.534 4.705 4.170 0.002 0.000 0.310 531 I C 0.616 176.525 176.117 -0.347 0.000 1.043 531 I CA -0.908 60.301 61.300 -0.152 0.000 1.053 531 I CB 1.813 39.771 38.000 -0.071 0.000 1.242 531 I HN 0.643 nan 8.210 nan 0.000 0.452 532 K N 1.490 121.461 120.400 -0.715 0.000 2.062 532 K HA 0.007 4.328 4.320 0.002 0.000 0.205 532 K C 0.347 176.853 176.600 -0.158 0.000 1.051 532 K CA 1.504 57.516 56.287 -0.458 0.000 0.941 532 K CB 0.151 32.354 32.500 -0.494 0.000 0.719 532 K HN 0.902 nan 8.250 nan 0.000 0.440 533 S N -0.757 114.865 115.700 -0.129 0.000 2.552 533 S HA 0.235 4.706 4.470 0.002 0.000 0.272 533 S C -1.217 173.386 174.600 0.005 0.000 1.150 533 S CA -1.111 57.076 58.200 -0.022 0.000 0.849 533 S CB 1.206 64.412 63.200 0.009 0.000 1.113 533 S HN 0.064 nan 8.310 nan 0.000 0.458 534 L N 3.524 124.792 121.223 0.074 0.000 2.387 534 L HA 0.437 4.778 4.340 0.002 0.000 0.267 534 L C 0.541 177.469 176.870 0.097 0.000 1.197 534 L CA 0.500 55.391 54.840 0.085 0.000 1.070 534 L CB -0.572 41.570 42.059 0.138 0.000 1.349 534 L HN 0.977 nan 8.230 nan 0.000 0.422 535 T N 0.816 115.341 114.554 -0.048 0.000 2.912 535 T HA 0.479 4.830 4.350 0.002 0.000 0.280 535 T C -1.784 172.667 174.700 -0.416 0.000 0.989 535 T CA -1.816 60.092 62.100 -0.320 0.000 0.995 535 T CB 1.135 69.871 68.868 -0.220 0.000 1.077 535 T HN 0.181 nan 8.240 nan 0.000 0.531 536 P HA -0.051 nan 4.420 nan 0.000 0.216 536 P C 1.665 178.829 177.300 -0.226 0.000 1.150 536 P CA 0.854 63.709 63.100 -0.408 0.000 0.837 536 P CB 0.068 31.505 31.700 -0.438 0.000 0.786 537 R N -0.243 120.138 120.500 -0.200 0.000 2.081 537 R HA -0.096 4.245 4.340 0.002 0.000 0.235 537 R C 2.049 178.312 176.300 -0.062 0.000 1.131 537 R CA 1.622 57.658 56.100 -0.106 0.000 0.960 537 R CB -0.756 29.491 30.300 -0.088 0.000 0.856 537 R HN 0.065 nan 8.270 nan 0.000 0.436 538 A N 0.872 123.647 122.820 -0.075 0.000 1.930 538 A HA -0.140 4.181 4.320 0.002 0.000 0.217 538 A C 1.995 179.579 177.584 -0.001 0.000 1.175 538 A CA 1.034 53.051 52.037 -0.033 0.000 0.627 538 A CB -0.479 18.495 19.000 -0.043 0.000 0.815 538 A HN 0.379 nan 8.150 nan 0.000 0.443 539 L N 0.078 121.284 121.223 -0.028 0.000 2.056 539 L HA 0.017 4.358 4.340 0.002 0.000 0.207 539 L C 2.380 179.286 176.870 0.060 0.000 1.078 539 L CA 2.215 57.049 54.840 -0.010 0.000 0.749 539 L CB -0.979 41.032 42.059 -0.080 0.000 0.901 539 L HN 0.290 nan 8.230 nan 0.000 0.433 540 G N -1.068 107.783 108.800 0.085 0.000 2.422 540 G HA2 -0.259 3.702 3.960 0.002 0.000 0.218 540 G HA3 -0.259 3.702 3.960 0.002 0.000 0.218 540 G C 1.593 176.594 174.900 0.169 0.000 1.146 540 G CA 0.800 46.052 45.100 0.253 0.000 0.769 540 G HN 0.627 nan 8.290 nan 0.000 0.547 541 A N 0.747 123.617 122.820 0.084 0.000 1.877 541 A HA 0.067 4.388 4.320 0.002 0.000 0.216 541 A C 2.401 180.041 177.584 0.093 0.000 1.186 541 A CA 1.270 53.346 52.037 0.064 0.000 0.620 541 A CB -0.341 18.685 19.000 0.044 0.000 0.822 541 A HN 0.370 nan 8.150 nan 0.000 0.443 542 I N 0.060 120.702 120.570 0.120 0.000 2.179 542 I HA -0.224 3.947 4.170 0.002 0.000 0.242 542 I C 2.140 178.417 176.117 0.267 0.000 1.088 542 I CA 0.900 62.304 61.300 0.173 0.000 1.357 542 I CB -0.266 37.847 38.000 0.188 0.000 1.051 542 I HN 0.246 nan 8.210 nan 0.000 0.409 543 I N 1.083 121.814 120.570 0.268 0.000 2.252 543 I HA -0.220 3.951 4.170 0.002 0.000 0.245 543 I C 2.857 179.171 176.117 0.328 0.000 1.102 543 I CA 1.601 63.111 61.300 0.350 0.000 1.385 543 I CB -1.717 36.487 38.000 0.340 0.000 1.064 543 I HN 0.164 nan 8.210 nan 0.000 0.414 544 A N 0.664 123.605 122.820 0.202 0.000 1.933 544 A HA -0.235 4.086 4.320 0.002 0.000 0.218 544 A C 2.456 179.961 177.584 -0.132 0.000 1.175 544 A CA 1.764 53.766 52.037 -0.058 0.000 0.628 544 A CB -0.632 18.293 19.000 -0.125 0.000 0.814 544 A HN 0.448 nan 8.150 nan 0.000 0.444 545 M N -1.844 117.756 119.600 0.000 0.000 2.086 545 M HA -0.188 4.293 4.480 0.002 0.000 0.261 545 M C 1.953 178.188 176.300 -0.107 0.000 1.067 545 M CA 1.931 57.197 55.300 -0.057 0.000 1.116 545 M CB -0.268 32.268 32.600 -0.107 0.000 1.348 545 M HN 0.470 nan 8.290 nan 0.000 0.407 546 Y N 0.916 121.244 120.300 0.047 0.000 2.293 546 Y HA -0.146 4.405 4.550 0.002 0.000 0.291 546 Y C 2.254 178.184 175.900 0.050 0.000 1.137 546 Y CA 1.650 59.785 58.100 0.058 0.000 1.202 546 Y CB -0.388 38.127 38.460 0.091 0.000 0.990 546 Y HN 0.382 nan 8.280 nan 0.000 0.537 547 E N -1.019 119.289 120.200 0.180 0.000 2.110 547 E HA -0.210 4.141 4.350 0.002 0.000 0.193 547 E C 1.737 178.435 176.600 0.164 0.000 0.988 547 E CA 1.270 57.795 56.400 0.210 0.000 0.804 547 E CB -0.148 29.661 29.700 0.182 0.000 0.745 547 E HN 0.568 nan 8.360 nan 0.000 0.458 548 H N 0.396 119.462 119.070 -0.007 0.000 2.470 548 H HA 0.014 4.571 4.556 0.002 0.000 0.289 548 H C 1.931 177.095 175.328 -0.273 0.000 1.033 548 H CA 0.808 56.627 56.048 -0.383 0.000 1.331 548 H CB 0.003 29.090 29.762 -1.124 0.000 1.414 548 H HN 0.081 nan 8.280 nan 0.000 0.545 549 K N 1.142 121.532 120.400 -0.016 0.000 2.025 549 K HA -0.080 4.241 4.320 0.002 0.000 0.207 549 K C 1.964 178.597 176.600 0.055 0.000 1.049 549 K CA 1.107 57.399 56.287 0.008 0.000 0.933 549 K CB -0.005 32.501 32.500 0.009 0.000 0.714 549 K HN 0.010 nan 8.250 nan 0.000 0.438 550 V N 2.245 122.230 119.914 0.119 0.000 2.407 550 V HA -0.250 3.871 4.120 0.002 0.000 0.248 550 V C 2.387 178.562 176.094 0.134 0.000 1.055 550 V CA 1.621 63.996 62.300 0.126 0.000 1.049 550 V CB -0.385 31.540 31.823 0.169 0.000 0.662 550 V HN 0.394 nan 8.190 nan 0.000 0.455 551 L N -0.312 121.058 121.223 0.245 0.000 1.994 551 L HA -0.161 4.180 4.340 0.002 0.000 0.208 551 L C 2.409 179.433 176.870 0.257 0.000 1.071 551 L CA 1.738 56.806 54.840 0.380 0.000 0.745 551 L CB -0.185 42.217 42.059 0.571 0.000 0.892 551 L HN 0.156 nan 8.230 nan 0.000 0.431 552 V N -0.093 119.939 119.914 0.197 0.000 2.295 552 V HA -0.319 3.802 4.120 0.002 0.000 0.246 552 V C 2.502 178.518 176.094 -0.130 0.000 1.049 552 V CA 2.100 64.459 62.300 0.098 0.000 1.024 552 V CB -0.724 31.179 31.823 0.133 0.000 0.648 552 V HN 0.549 nan 8.190 nan 0.000 0.447 553 Q N 0.057 119.713 119.800 -0.240 0.000 2.084 553 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 553 Q C 2.405 177.972 176.000 -0.722 0.000 0.978 553 Q CA 1.704 57.093 55.803 -0.690 0.000 0.844 553 Q CB -0.546 27.758 28.738 -0.724 0.000 0.898 553 Q HN 0.728 nan 8.270 nan 0.000 0.426 554 G N 0.598 109.264 108.800 -0.223 0.000 2.408 554 G HA2 -0.188 3.773 3.960 0.002 0.000 0.217 554 G HA3 -0.188 3.773 3.960 0.002 0.000 0.217 554 G C 1.462 176.307 174.900 -0.092 0.000 1.150 554 G CA 0.808 45.907 45.100 -0.002 0.000 0.776 554 G HN 0.410 nan 8.290 nan 0.000 0.542 555 A N 0.458 123.139 122.820 -0.231 0.000 1.968 555 A HA 0.189 4.510 4.320 0.002 0.000 0.217 555 A C 2.347 179.768 177.584 -0.272 0.000 1.169 555 A CA 0.851 52.621 52.037 -0.445 0.000 0.638 555 A CB -0.239 18.373 19.000 -0.648 0.000 0.812 555 A HN 0.366 nan 8.150 nan 0.000 0.446 556 I N -1.724 118.696 120.570 -0.249 0.000 2.252 556 I HA -0.239 3.932 4.170 0.002 0.000 0.245 556 I C 2.159 178.230 176.117 -0.075 0.000 1.102 556 I CA 0.875 62.062 61.300 -0.188 0.000 1.385 556 I CB -0.257 37.581 38.000 -0.269 0.000 1.064 556 I HN 0.484 nan 8.210 nan 0.000 0.414 557 W N 0.739 122.018 121.300 -0.034 0.000 2.595 557 W HA 0.159 4.819 4.660 0.002 0.000 0.257 557 W C 1.806 178.276 176.519 -0.081 0.000 1.267 557 W CA 1.105 58.414 57.345 -0.059 0.000 1.300 557 W CB -1.223 28.227 29.460 -0.017 0.000 1.120 557 W HN 0.380 nan 8.180 nan 0.000 0.618 558 G N 1.121 109.974 108.800 0.089 0.000 2.143 558 G HA2 -0.298 3.663 3.960 0.002 0.000 0.248 558 G HA3 -0.298 3.663 3.960 0.002 0.000 0.248 558 G C 0.230 175.169 174.900 0.065 0.000 0.991 558 G CA 0.302 45.415 45.100 0.022 0.000 0.689 558 G HN 0.338 nan 8.290 nan 0.000 0.522 559 I N -3.120 117.519 120.570 0.115 0.000 3.062 559 I HA 0.754 4.925 4.170 0.002 0.000 0.318 559 I C -0.272 175.926 176.117 0.135 0.000 1.026 559 I CA -1.181 60.200 61.300 0.136 0.000 1.096 559 I CB 1.329 39.430 38.000 0.168 0.000 1.348 559 I HN -0.064 nan 8.210 nan 0.000 0.543 560 D N 1.837 122.334 120.400 0.162 0.000 2.428 560 D HA 0.237 4.878 4.640 0.002 0.000 0.221 560 D C 0.298 176.653 176.300 0.093 0.000 1.123 560 D CA -0.164 53.958 54.000 0.203 0.000 0.869 560 D CB 1.285 42.239 40.800 0.256 0.000 1.032 560 D HN 0.575 nan 8.370 nan 0.000 0.506 561 S N 2.648 118.301 115.700 -0.079 0.000 2.607 561 S HA -0.060 4.411 4.470 0.002 0.000 0.224 561 S C 0.652 174.909 174.600 -0.573 0.000 0.969 561 S CA 0.219 58.192 58.200 -0.379 0.000 0.927 561 S CB -0.070 62.766 63.200 -0.608 0.000 0.772 561 S HN 0.554 nan 8.310 nan 0.000 0.533 562 Y N 1.365 121.792 120.300 0.212 0.000 2.481 562 Y HA 0.253 4.804 4.550 0.002 0.000 0.247 562 Y C 0.501 176.467 175.900 0.110 0.000 1.151 562 Y CA -1.282 56.932 58.100 0.189 0.000 1.238 562 Y CB 0.003 38.563 38.460 0.166 0.000 1.179 562 Y HN 0.244 nan 8.280 nan 0.000 0.524 563 D N -0.429 120.045 120.400 0.124 0.000 2.494 563 D HA 0.315 4.956 4.640 0.002 0.000 0.259 563 D C -0.075 176.139 176.300 -0.144 0.000 1.109 563 D CA -0.862 53.090 54.000 -0.078 0.000 1.040 563 D CB 0.761 41.492 40.800 -0.114 0.000 1.175 563 D HN 0.019 nan 8.370 nan 0.000 0.584 564 Q N -0.472 119.116 119.800 -0.354 0.000 3.576 564 Q HA 0.126 4.467 4.340 0.002 0.000 0.249 564 Q C -0.868 175.001 176.000 -0.218 0.000 0.771 564 Q CA -0.553 55.124 55.803 -0.209 0.000 0.897 564 Q CB -1.230 27.429 28.738 -0.132 0.000 1.551 564 Q HN 0.758 nan 8.270 nan 0.000 0.388 565 W N 0.828 122.146 121.300 0.030 0.000 2.595 565 W HA 0.147 4.808 4.660 0.001 0.000 0.257 565 W C 1.933 178.457 176.519 0.007 0.000 1.267 565 W CA 0.839 58.201 57.345 0.028 0.000 1.300 565 W CB 0.255 29.740 29.460 0.041 0.000 1.120 565 W HN 0.612 nan 8.180 nan 0.000 0.618 566 G N 0.533 109.424 108.800 0.153 0.000 2.559 566 G HA2 -0.158 3.803 3.960 0.002 0.000 0.216 566 G HA3 -0.158 3.803 3.960 0.002 0.000 0.216 566 G C 1.314 176.239 174.900 0.041 0.000 1.126 566 G CA 1.248 46.386 45.100 0.064 0.000 0.778 566 G HN 0.300 nan 8.290 nan 0.000 0.543 567 V N -2.965 116.973 119.914 0.040 0.000 3.506 567 V HA 0.220 4.341 4.120 0.002 0.000 0.263 567 V C 1.902 178.023 176.094 0.045 0.000 1.203 567 V CA 0.981 63.294 62.300 0.021 0.000 1.133 567 V CB 0.032 31.852 31.823 -0.007 0.000 0.802 567 V HN 0.332 nan 8.190 nan 0.000 0.459 568 E N 0.708 120.961 120.200 0.090 0.000 2.072 568 E HA -0.169 4.182 4.350 0.002 0.000 0.191 568 E C 2.052 178.699 176.600 0.078 0.000 0.985 568 E CA 1.540 58.002 56.400 0.105 0.000 0.801 568 E CB -0.191 29.617 29.700 0.181 0.000 0.750 568 E HN 0.539 nan 8.360 nan 0.000 0.452 569 L N 0.918 122.185 121.223 0.073 0.000 2.042 569 L HA -0.082 4.259 4.340 0.002 0.000 0.210 569 L C 2.227 179.121 176.870 0.040 0.000 1.076 569 L CA 2.208 57.082 54.840 0.056 0.000 0.749 569 L CB -0.872 41.219 42.059 0.054 0.000 0.893 569 L HN 0.099 nan 8.230 nan 0.000 0.432 570 G N -1.057 107.761 108.800 0.030 0.000 2.422 570 G HA2 -0.248 3.713 3.960 0.002 0.000 0.218 570 G HA3 -0.248 3.713 3.960 0.002 0.000 0.218 570 G C 1.691 176.599 174.900 0.014 0.000 1.146 570 G CA 0.801 45.910 45.100 0.015 0.000 0.769 570 G HN 0.413 nan 8.290 nan 0.000 0.547 571 K N -0.099 120.314 120.400 0.022 0.000 2.057 571 K HA 0.025 4.346 4.320 0.002 0.000 0.206 571 K C 2.584 179.199 176.600 0.026 0.000 1.050 571 K CA 0.958 57.257 56.287 0.020 0.000 0.935 571 K CB -0.189 32.327 32.500 0.027 0.000 0.715 571 K HN 0.216 nan 8.250 nan 0.000 0.439 572 V N 1.930 121.865 119.914 0.035 0.000 2.307 572 V HA -0.211 3.910 4.120 0.002 0.000 0.245 572 V C 2.183 178.299 176.094 0.036 0.000 1.045 572 V CA 1.539 63.861 62.300 0.037 0.000 1.024 572 V CB -0.438 31.411 31.823 0.044 0.000 0.651 572 V HN 0.272 nan 8.190 nan 0.000 0.449 573 L N 0.084 121.329 121.223 0.037 0.000 2.201 573 L HA -0.078 4.263 4.340 0.002 0.000 0.212 573 L C 2.652 179.543 176.870 0.036 0.000 1.105 573 L CA 1.214 56.083 54.840 0.048 0.000 0.775 573 L CB -0.706 41.382 42.059 0.049 0.000 0.913 573 L HN 0.367 nan 8.230 nan 0.000 0.440 574 A N -0.293 122.535 122.820 0.014 0.000 1.929 574 A HA -0.166 4.155 4.320 0.002 0.000 0.216 574 A C 2.414 180.001 177.584 0.004 0.000 1.176 574 A CA 1.161 53.196 52.037 -0.005 0.000 0.628 574 A CB -0.289 18.703 19.000 -0.014 0.000 0.816 574 A HN 0.128 nan 8.150 nan 0.000 0.444 575 K N 0.166 120.576 120.400 0.016 0.000 2.097 575 K HA -0.101 4.220 4.320 0.002 0.000 0.206 575 K C 2.228 178.844 176.600 0.026 0.000 1.049 575 K CA 1.614 57.912 56.287 0.019 0.000 0.933 575 K CB -0.322 32.192 32.500 0.023 0.000 0.717 575 K HN 0.413 nan 8.250 nan 0.000 0.442 576 S N 0.344 116.067 115.700 0.038 0.000 2.406 576 S HA 0.024 4.495 4.470 0.002 0.000 0.228 576 S C 1.981 176.626 174.600 0.074 0.000 1.020 576 S CA 0.538 58.770 58.200 0.052 0.000 0.965 576 S CB -0.009 63.228 63.200 0.061 0.000 0.798 576 S HN 0.310 nan 8.310 nan 0.000 0.488 577 I N 0.912 121.522 120.570 0.066 0.000 2.584 577 I HA -0.041 4.130 4.170 0.002 0.000 0.255 577 I C 2.133 178.255 176.117 0.008 0.000 1.145 577 I CA 0.272 61.598 61.300 0.043 0.000 1.462 577 I CB -0.215 37.766 38.000 -0.032 0.000 1.102 577 I HN 0.298 nan 8.210 nan 0.000 0.433 578 L N 2.952 124.176 121.223 0.002 0.000 2.013 578 L HA -0.144 4.197 4.340 0.002 0.000 0.212 578 L C -0.435 176.450 176.870 0.026 0.000 1.073 578 L CA 2.435 57.276 54.840 0.002 0.000 0.753 578 L CB -1.655 40.407 42.059 0.005 0.000 0.890 578 L HN 0.140 nan 8.230 nan 0.000 0.432 579 P HA -0.131 nan 4.420 nan 0.000 0.237 579 P C 0.946 178.276 177.300 0.051 0.000 1.178 579 P CA 1.013 64.137 63.100 0.039 0.000 0.766 579 P CB 0.006 31.725 31.700 0.032 0.000 0.876 580 Q N -0.474 119.360 119.800 0.057 0.000 2.392 580 Q HA 0.169 4.510 4.340 0.002 0.000 0.203 580 Q C 0.759 176.812 176.000 0.088 0.000 0.917 580 Q CA 0.123 55.969 55.803 0.072 0.000 0.939 580 Q CB 0.108 28.901 28.738 0.092 0.000 1.063 580 Q HN 0.339 nan 8.270 nan 0.000 0.516 581 L N 2.368 123.645 121.223 0.089 0.000 2.422 581 L HA 0.310 4.651 4.340 0.002 0.000 0.256 581 L C -0.281 176.723 176.870 0.222 0.000 1.202 581 L CA 0.043 54.986 54.840 0.172 0.000 1.119 581 L CB -0.090 42.027 42.059 0.097 0.000 1.383 581 L HN -0.017 nan 8.230 nan 0.000 0.411 582 R N 1.826 122.438 120.500 0.186 0.000 2.686 582 R HA 0.462 4.803 4.340 0.002 0.000 0.283 582 R C -2.664 173.707 176.300 0.119 0.000 0.978 582 R CA -2.137 54.039 56.100 0.127 0.000 0.897 582 R CB 1.805 32.142 30.300 0.062 0.000 1.192 582 R HN 0.012 nan 8.270 nan 0.000 0.457 583 P HA -0.041 nan 4.420 nan 0.000 0.260 583 P C 0.608 177.926 177.300 0.030 0.000 1.185 583 P CA 1.174 64.305 63.100 0.052 0.000 0.763 583 P CB 0.476 32.100 31.700 -0.127 0.000 0.776 584 G N 2.708 111.537 108.800 0.049 0.000 2.179 584 G HA2 -0.337 3.624 3.960 0.002 0.000 0.260 584 G HA3 -0.337 3.624 3.960 0.002 0.000 0.260 584 G C 0.238 175.163 174.900 0.042 0.000 0.977 584 G CA 0.064 45.185 45.100 0.035 0.000 0.641 584 G HN 0.567 nan 8.290 nan 0.000 0.533 585 M N 1.056 120.691 119.600 0.058 0.000 2.228 585 M HA 0.515 4.996 4.480 0.002 0.000 0.351 585 M C 0.606 176.946 176.300 0.067 0.000 1.233 585 M CA 0.012 55.348 55.300 0.060 0.000 1.129 585 M CB 0.336 32.977 32.600 0.069 0.000 1.604 585 M HN 0.254 nan 8.290 nan 0.000 0.457 586 R N 3.410 123.944 120.500 0.056 0.000 2.589 586 R HA 0.687 5.028 4.340 0.002 0.000 0.293 586 R C -1.139 175.199 176.300 0.063 0.000 0.963 586 R CA -0.896 55.238 56.100 0.057 0.000 0.905 586 R CB 1.843 32.169 30.300 0.043 0.000 1.144 586 R HN 0.649 nan 8.270 nan 0.000 0.459 587 V N -0.536 119.424 119.914 0.077 0.000 2.864 587 V HA 0.509 4.630 4.120 0.002 0.000 0.314 587 V C 0.020 176.170 176.094 0.094 0.000 1.073 587 V CA -0.728 61.631 62.300 0.099 0.000 0.956 587 V CB 1.932 33.855 31.823 0.168 0.000 1.023 587 V HN 1.085 nan 8.190 nan 0.000 0.435 588 N N 0.840 119.587 118.700 0.077 0.000 2.081 588 N HA 0.021 4.762 4.740 0.002 0.000 0.230 588 N C 0.569 176.095 175.510 0.026 0.000 1.351 588 N CA 0.148 53.231 53.050 0.055 0.000 0.840 588 N CB 0.093 38.599 38.487 0.032 0.000 1.189 588 N HN 0.760 nan 8.380 nan 0.000 0.503 589 N N 0.665 119.354 118.700 -0.018 0.000 2.446 589 N HA -0.064 4.677 4.740 0.002 0.000 0.179 589 N C 0.125 175.513 175.510 -0.203 0.000 1.054 589 N CA 0.372 53.336 53.050 -0.143 0.000 0.905 589 N CB -0.247 38.098 38.487 -0.236 0.000 0.973 589 N HN 0.361 nan 8.380 nan 0.000 0.448 590 H N 0.807 119.879 119.070 0.005 0.000 2.645 590 H HA 0.159 4.716 4.556 0.002 0.000 0.308 590 H C -0.382 174.949 175.328 0.004 0.000 1.495 590 H CA -0.487 55.563 56.048 0.003 0.000 1.518 590 H CB 0.418 30.181 29.762 0.001 0.000 1.752 590 H HN 0.229 nan 8.280 nan 0.000 0.797 591 D N -0.952 119.544 120.400 0.160 0.000 2.360 591 D HA -0.025 4.616 4.640 0.002 0.000 0.242 591 D C 1.161 177.503 176.300 0.069 0.000 1.184 591 D CA -0.026 54.022 54.000 0.080 0.000 0.930 591 D CB 0.702 41.535 40.800 0.056 0.000 1.161 591 D HN 0.439 nan 8.370 nan 0.000 0.447 592 S N 0.234 115.960 115.700 0.044 0.000 2.419 592 S HA -0.273 4.198 4.470 0.002 0.000 0.235 592 S C 1.910 176.524 174.600 0.023 0.000 1.019 592 S CA 1.003 59.223 58.200 0.034 0.000 0.982 592 S CB -0.664 62.551 63.200 0.025 0.000 0.789 592 S HN 0.522 nan 8.310 nan 0.000 0.490 593 S N 1.575 117.284 115.700 0.016 0.000 2.345 593 S HA -0.104 4.367 4.470 0.002 0.000 0.219 593 S C 1.988 176.579 174.600 -0.016 0.000 1.031 593 S CA 1.758 59.959 58.200 0.002 0.000 0.984 593 S CB -1.231 61.968 63.200 -0.002 0.000 0.874 593 S HN 0.664 nan 8.310 nan 0.000 0.451 594 T N 2.813 117.348 114.554 -0.031 0.000 2.788 594 T HA -0.052 4.299 4.350 0.002 0.000 0.268 594 T C 1.760 176.393 174.700 -0.111 0.000 1.044 594 T CA 1.440 63.474 62.100 -0.110 0.000 1.139 594 T CB -0.581 68.181 68.868 -0.177 0.000 0.867 594 T HN 0.391 nan 8.240 nan 0.000 0.454 595 N N 1.104 119.795 118.700 -0.015 0.000 2.084 595 N HA -0.049 4.692 4.740 0.002 0.000 0.190 595 N C 2.223 177.745 175.510 0.021 0.000 1.030 595 N CA 1.462 54.532 53.050 0.034 0.000 0.849 595 N CB -0.945 37.586 38.487 0.074 0.000 1.012 595 N HN 0.493 nan 8.380 nan 0.000 0.423 596 G N 1.032 109.842 108.800 0.017 0.000 2.422 596 G HA2 -0.148 3.813 3.960 0.002 0.000 0.218 596 G HA3 -0.148 3.813 3.960 0.002 0.000 0.218 596 G C 1.723 176.637 174.900 0.024 0.000 1.146 596 G CA 0.367 45.480 45.100 0.022 0.000 0.769 596 G HN 0.222 nan 8.290 nan 0.000 0.547 597 L N -0.081 121.146 121.223 0.007 0.000 2.056 597 L HA 0.054 4.395 4.340 0.002 0.000 0.207 597 L C 2.826 179.721 176.870 0.043 0.000 1.078 597 L CA 0.664 55.513 54.840 0.014 0.000 0.749 597 L CB -0.272 41.773 42.059 -0.023 0.000 0.901 597 L HN 0.180 nan 8.230 nan 0.000 0.433 598 I N -0.160 120.411 120.570 0.002 0.000 2.252 598 I HA -0.259 3.912 4.170 0.002 0.000 0.245 598 I C 2.116 178.306 176.117 0.121 0.000 1.102 598 I CA 0.920 62.239 61.300 0.030 0.000 1.385 598 I CB -0.371 37.602 38.000 -0.044 0.000 1.064 598 I HN 0.329 nan 8.210 nan 0.000 0.414 599 N N 0.646 119.396 118.700 0.083 0.000 2.166 599 N HA -0.199 4.542 4.740 0.002 0.000 0.186 599 N C 1.820 177.382 175.510 0.088 0.000 1.019 599 N CA 1.357 54.456 53.050 0.083 0.000 0.856 599 N CB -0.322 38.200 38.487 0.057 0.000 0.993 599 N HN 0.362 nan 8.380 nan 0.000 0.426 600 M N -0.696 118.956 119.600 0.087 0.000 2.132 600 M HA -0.101 4.380 4.480 0.002 0.000 0.263 600 M C 1.893 178.245 176.300 0.088 0.000 1.065 600 M CA 1.195 56.538 55.300 0.071 0.000 1.122 600 M CB -0.103 32.534 32.600 0.062 0.000 1.365 600 M HN 0.045 nan 8.290 nan 0.000 0.411 601 F N 1.545 121.493 119.950 -0.004 0.000 2.075 601 F HA -0.268 4.260 4.527 0.002 0.000 0.297 601 F C 1.850 177.656 175.800 0.010 0.000 1.113 601 F CA 1.942 59.938 58.000 -0.007 0.000 1.218 601 F CB -0.481 38.512 39.000 -0.012 0.000 0.984 601 F HN 0.251 nan 8.300 nan 0.000 0.472 602 N N 0.563 119.374 118.700 0.185 0.000 2.309 602 N HA -0.149 4.592 4.740 0.002 0.000 0.182 602 N C 1.693 177.219 175.510 0.027 0.000 1.018 602 N CA 1.323 54.443 53.050 0.116 0.000 0.876 602 N CB -0.408 38.182 38.487 0.171 0.000 0.972 602 N HN 0.532 nan 8.380 nan 0.000 0.434 603 E N -0.058 120.147 120.200 0.009 0.000 2.152 603 E HA 0.040 4.391 4.350 0.002 0.000 0.192 603 E C 0.988 177.565 176.600 -0.038 0.000 0.983 603 E CA 0.646 57.045 56.400 -0.003 0.000 0.818 603 E CB 0.180 29.883 29.700 0.004 0.000 0.758 603 E HN 0.296 nan 8.360 nan 0.000 0.467 604 L N -0.144 121.018 121.223 -0.101 0.000 2.858 604 L HA 0.128 4.469 4.340 0.002 0.000 0.251 604 L C 1.907 178.626 176.870 -0.253 0.000 1.149 604 L CA -0.072 54.686 54.840 -0.137 0.000 0.955 604 L CB 0.517 42.508 42.059 -0.114 0.000 1.289 604 L HN 0.038 nan 8.230 nan 0.000 0.542 605 S N -1.504 113.961 115.700 -0.391 0.000 2.442 605 S HA -0.039 4.432 4.470 0.002 0.000 0.236 605 S C 0.835 175.039 174.600 -0.660 0.000 1.007 605 S CA 0.672 58.468 58.200 -0.673 0.000 0.965 605 S CB -0.314 62.376 63.200 -0.851 0.000 0.773 605 S HN 0.419 nan 8.310 nan 0.000 0.504 606 H N 0.000 118.977 119.070 -0.155 0.000 2.539 606 H HA 0.000 4.557 4.556 0.002 0.000 0.296 606 H CA 0.000 55.994 56.048 -0.091 0.000 1.023 606 H CB 0.000 29.723 29.762 -0.065 0.000 1.292 606 H HN 0.000 nan 8.280 nan 0.000 0.496