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 3gdp_1_A DATA FIRST_RESID 1 DATA SEQUENCE LATTSDHDFS YLSFAYDATD LELEGSYDYV IVGGGTSGCP LAATLSEKYK DATA SEQUENCE VLVLERGSLP TAYPNVLTAD GFVYNLQQED DGKTPVERFV SEDGIDNVRG DATA SEQUENCE RVLGGTSIIN AGVYARANTS IYSASGVDWD MDLVNQTYEW VEDTIVYKPN DATA SEQUENCE SQSWQSVTKT AFLEAGVHPN HGFSLDHEEG TRITGSTFDN KGTRHAADEL DATA SEQUENCE LNKGNSNNLR VGVHASVEKI IFSNAPGLTA TGVIYRDSNG TPHQAFVRSK DATA SEQUENCE GEVIVSAGTI GTPQLLLLSG VGPESYLSSL NIPVVLSHPY VGQFLHDNPR DATA SEQUENCE NFINILPPNP IEPTIVTVLG ISNDFYQCSF SSLPFTTPPF GFFPSSSYPL DATA SEQUENCE PNSTFAHFAS KVAGPLSYGS LTLKSSSNVR VSPNVKFNYY SNLTDLSHcV DATA SEQUENCE SGMKKIGELL STDALKPYKV EDLPGVEGFN ILGIPLPKDQ TDDAAFETFc DATA SEQUENCE RESVASYWHY HGGCLVGKVL DGDFRVTGIN ALRVVDGSTF PYTPASHPQG DATA SEQUENCE FYLMLGRYVG IKILQERSAS D 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.707 176.870 -0.272 0.000 1.165 1 L CA 0.000 54.714 54.840 -0.210 0.000 0.813 1 L CB 0.000 41.988 42.059 -0.118 0.000 0.961 2 A N 0.311 122.843 122.820 -0.480 0.000 2.248 2 A HA 0.916 5.235 4.320 -0.001 0.000 0.316 2 A C -0.384 177.060 177.584 -0.233 0.000 1.101 2 A CA -0.348 51.414 52.037 -0.459 0.000 0.875 2 A CB 1.204 19.754 19.000 -0.749 0.000 1.207 2 A HN 0.580 nan 8.150 nan 0.000 0.504 3 T N 1.188 115.718 114.554 -0.041 0.000 2.823 3 T HA 0.447 4.796 4.350 -0.001 0.000 0.279 3 T C 0.003 174.824 174.700 0.201 0.000 0.998 3 T CA -0.114 62.041 62.100 0.092 0.000 0.994 3 T CB 1.023 69.900 68.868 0.015 0.000 0.960 3 T HN 0.656 nan 8.240 nan 0.000 0.448 4 T N 3.957 118.608 114.554 0.161 0.000 2.867 4 T HA 0.276 4.626 4.350 -0.001 0.000 0.290 4 T C 0.451 175.172 174.700 0.035 0.000 1.025 4 T CA 0.326 62.429 62.100 0.005 0.000 1.146 4 T CB -0.225 68.622 68.868 -0.036 0.000 1.024 4 T HN 0.868 nan 8.240 nan 0.000 0.519 5 S N 2.003 117.741 115.700 0.064 0.000 2.615 5 S HA 0.402 4.871 4.470 -0.001 0.000 0.268 5 S C -1.672 173.036 174.600 0.181 0.000 1.146 5 S CA -1.292 56.965 58.200 0.094 0.000 0.818 5 S CB 1.214 64.454 63.200 0.066 0.000 1.111 5 S HN 0.472 nan 8.310 nan 0.000 0.465 6 D N 1.072 121.542 120.400 0.117 0.000 2.368 6 D HA 0.191 4.831 4.640 -0.001 0.000 0.240 6 D C 0.130 176.501 176.300 0.119 0.000 1.169 6 D CA 0.440 54.500 54.000 0.100 0.000 0.906 6 D CB 0.015 40.862 40.800 0.078 0.000 1.187 6 D HN 0.728 nan 8.370 nan 0.000 0.435 7 H N 0.721 119.727 119.070 -0.107 0.000 3.004 7 H HA -0.033 4.523 4.556 -0.001 0.000 0.316 7 H C -0.304 174.850 175.328 -0.290 0.000 1.014 7 H CA 0.156 56.031 56.048 -0.288 0.000 1.454 7 H CB 0.426 29.917 29.762 -0.452 0.000 1.472 7 H HN 0.049 nan 8.280 nan 0.000 0.571 8 D N 4.968 125.123 120.400 -0.409 0.000 2.374 8 D HA -0.021 4.618 4.640 -0.001 0.000 0.240 8 D C -0.461 175.656 176.300 -0.305 0.000 1.229 8 D CA 0.006 53.862 54.000 -0.240 0.000 0.895 8 D CB -0.308 40.407 40.800 -0.142 0.000 1.046 8 D HN 0.540 nan 8.370 nan 0.000 0.498 9 F N 1.806 121.698 119.950 -0.097 0.000 2.730 9 F HA 0.095 4.622 4.527 -0.001 0.000 0.295 9 F C 2.144 177.643 175.800 -0.503 0.000 1.143 9 F CA -0.397 57.360 58.000 -0.405 0.000 1.367 9 F CB 0.381 39.191 39.000 -0.317 0.000 0.970 9 F HN 0.243 nan 8.300 nan 0.000 0.514 10 S N -0.296 115.317 115.700 -0.146 0.000 2.399 10 S HA -0.259 4.210 4.470 -0.001 0.000 0.231 10 S C 1.858 176.319 174.600 -0.232 0.000 1.022 10 S CA 1.396 59.525 58.200 -0.117 0.000 0.983 10 S CB -0.515 62.678 63.200 -0.011 0.000 0.803 10 S HN 0.724 nan 8.310 nan 0.000 0.480 11 Y N 1.207 121.361 120.300 -0.244 0.000 2.569 11 Y HA 0.115 4.664 4.550 -0.001 0.000 0.293 11 Y C 1.464 176.817 175.900 -0.912 0.000 1.144 11 Y CA 0.194 57.820 58.100 -0.791 0.000 1.321 11 Y CB -1.027 37.137 38.460 -0.494 0.000 0.982 11 Y HN 0.120 nan 8.280 nan 0.000 0.558 12 L N 0.824 121.610 121.223 -0.728 0.000 2.261 12 L HA -0.205 4.135 4.340 -0.001 0.000 0.216 12 L C 2.643 179.272 176.870 -0.401 0.000 1.114 12 L CA 1.463 56.006 54.840 -0.495 0.000 0.777 12 L CB -0.746 41.060 42.059 -0.422 0.000 0.910 12 L HN 0.552 nan 8.230 nan 0.000 0.440 13 S N 0.734 116.211 115.700 -0.371 0.000 2.419 13 S HA -0.181 4.289 4.470 -0.001 0.000 0.233 13 S C 1.221 175.754 174.600 -0.111 0.000 1.016 13 S CA 0.882 58.971 58.200 -0.185 0.000 0.974 13 S CB -0.514 62.664 63.200 -0.037 0.000 0.786 13 S HN 0.562 nan 8.310 nan 0.000 0.492 14 F N 0.343 120.272 119.950 -0.036 0.000 2.805 14 F HA 0.848 5.374 4.527 -0.001 0.000 0.317 14 F C 0.099 175.887 175.800 -0.021 0.000 1.146 14 F CA -1.645 56.372 58.000 0.028 0.000 1.265 14 F CB -0.281 38.834 39.000 0.192 0.000 0.992 14 F HN 0.254 nan 8.300 nan 0.000 0.511 15 A N 0.729 123.385 122.820 -0.274 0.000 2.304 15 A HA 0.776 5.096 4.320 -0.001 0.000 0.323 15 A C -1.597 175.746 177.584 -0.403 0.000 1.195 15 A CA -0.419 51.549 52.037 -0.115 0.000 0.826 15 A CB 0.598 19.573 19.000 -0.041 0.000 1.184 15 A HN 0.390 nan 8.150 nan 0.000 0.496 16 Y N 0.180 120.522 120.300 0.069 0.000 2.553 16 Y HA 0.388 4.938 4.550 -0.001 0.000 0.347 16 Y C 0.039 175.955 175.900 0.027 0.000 1.019 16 Y CA -1.063 57.070 58.100 0.055 0.000 1.032 16 Y CB 1.510 40.019 38.460 0.082 0.000 1.284 16 Y HN 0.711 nan 8.280 nan 0.000 0.466 17 D N 0.787 121.308 120.400 0.201 0.000 2.302 17 D HA 0.257 4.896 4.640 -0.001 0.000 0.248 17 D C 0.871 177.270 176.300 0.165 0.000 1.094 17 D CA 0.365 54.459 54.000 0.155 0.000 0.897 17 D CB 2.073 42.984 40.800 0.184 0.000 1.200 17 D HN 0.797 nan 8.370 nan 0.000 0.429 18 A N 2.824 125.719 122.820 0.125 0.000 1.986 18 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 18 A C 2.030 179.653 177.584 0.065 0.000 1.171 18 A CA 2.493 54.568 52.037 0.063 0.000 0.640 18 A CB -1.006 18.036 19.000 0.069 0.000 0.811 18 A HN 0.774 nan 8.150 nan 0.000 0.451 19 T N -3.024 111.620 114.554 0.150 0.000 2.977 19 T HA -0.099 4.250 4.350 -0.001 0.000 0.271 19 T C 0.897 175.726 174.700 0.215 0.000 1.105 19 T CA 1.541 63.762 62.100 0.201 0.000 1.116 19 T CB -0.258 68.705 68.868 0.157 0.000 0.878 19 T HN 0.384 nan 8.240 nan 0.000 0.509 20 D N 0.329 120.847 120.400 0.196 0.000 2.379 20 D HA 0.318 4.957 4.640 -0.001 0.000 0.208 20 D C 0.514 176.909 176.300 0.159 0.000 1.065 20 D CA -0.067 54.045 54.000 0.188 0.000 0.848 20 D CB 0.120 41.053 40.800 0.223 0.000 0.949 20 D HN 0.420 nan 8.370 nan 0.000 0.509 21 L N 2.139 123.464 121.223 0.170 0.000 2.418 21 L HA 0.118 4.457 4.340 -0.001 0.000 0.265 21 L C 1.092 178.127 176.870 0.275 0.000 1.143 21 L CA -0.820 54.110 54.840 0.150 0.000 0.809 21 L CB 0.633 42.788 42.059 0.160 0.000 1.124 21 L HN 0.006 nan 8.230 nan 0.000 0.456 22 E N 2.926 123.254 120.200 0.213 0.000 2.418 22 E HA -0.047 4.302 4.350 -0.001 0.000 0.261 22 E C 0.593 177.355 176.600 0.270 0.000 1.070 22 E CA -0.022 56.490 56.400 0.188 0.000 0.931 22 E CB 0.762 30.537 29.700 0.125 0.000 0.954 22 E HN 0.560 nan 8.360 nan 0.000 0.439 23 L N 0.138 121.404 121.223 0.073 0.000 2.141 23 L HA -0.031 4.308 4.340 -0.001 0.000 0.209 23 L C 1.369 178.252 176.870 0.021 0.000 1.094 23 L CA 1.221 55.994 54.840 -0.113 0.000 0.763 23 L CB -0.194 41.756 42.059 -0.181 0.000 0.908 23 L HN 0.661 nan 8.230 nan 0.000 0.437 24 E N -0.059 120.202 120.200 0.103 0.000 2.343 24 E HA 0.412 4.761 4.350 -0.001 0.000 0.260 24 E C -0.710 176.007 176.600 0.195 0.000 0.908 24 E CA -0.351 56.157 56.400 0.179 0.000 0.814 24 E CB 1.381 31.175 29.700 0.157 0.000 1.302 24 E HN 0.075 nan 8.360 nan 0.000 0.408 25 G N 1.334 110.303 108.800 0.280 0.000 2.489 25 G HA2 0.508 4.467 3.960 -0.001 0.000 0.327 25 G HA3 0.508 4.467 3.960 -0.001 0.000 0.327 25 G C -1.138 173.877 174.900 0.192 0.000 1.189 25 G CA -0.584 44.641 45.100 0.208 0.000 0.962 25 G HN 0.309 nan 8.290 nan 0.000 0.486 26 S N -0.413 115.186 115.700 -0.168 0.000 2.594 26 S HA 0.774 5.243 4.470 -0.001 0.000 0.296 26 S C -1.476 172.853 174.600 -0.451 0.000 1.124 26 S CA -0.609 57.525 58.200 -0.109 0.000 1.011 26 S CB 0.444 63.591 63.200 -0.089 0.000 1.016 26 S HN 0.441 nan 8.310 nan 0.000 0.485 27 Y N 1.328 121.656 120.300 0.047 0.000 2.705 27 Y HA 0.459 5.008 4.550 -0.001 0.000 0.332 27 Y C 0.982 176.853 175.900 -0.049 0.000 1.157 27 Y CA -0.978 57.133 58.100 0.019 0.000 1.091 27 Y CB 0.834 39.313 38.460 0.031 0.000 1.301 27 Y HN 0.480 nan 8.280 nan 0.000 0.488 28 D N -0.529 119.937 120.400 0.109 0.000 2.201 28 D HA 0.006 4.645 4.640 -0.001 0.000 0.209 28 D C -0.734 175.221 176.300 -0.574 0.000 0.961 28 D CA 1.607 55.469 54.000 -0.229 0.000 0.861 28 D CB 0.337 41.065 40.800 -0.121 0.000 0.997 28 D HN 0.341 nan 8.370 nan 0.000 0.486 29 Y N -0.473 119.867 120.300 0.066 0.000 2.492 29 Y HA 0.425 4.974 4.550 -0.001 0.000 0.346 29 Y C -0.425 175.453 175.900 -0.038 0.000 0.997 29 Y CA -0.955 57.144 58.100 -0.002 0.000 1.025 29 Y CB 2.399 40.842 38.460 -0.029 0.000 1.263 29 Y HN -0.419 nan 8.280 nan 0.000 0.454 30 V N 5.139 125.095 119.914 0.070 0.000 2.444 30 V HA 0.424 4.543 4.120 -0.001 0.000 0.294 30 V C -0.736 175.335 176.094 -0.038 0.000 1.022 30 V CA -0.709 61.558 62.300 -0.055 0.000 0.850 30 V CB 1.481 33.255 31.823 -0.082 0.000 0.992 30 V HN 0.503 nan 8.190 nan 0.000 0.426 31 I N 5.582 126.108 120.570 -0.073 0.000 2.339 31 I HA 0.381 4.550 4.170 -0.001 0.000 0.290 31 I C 0.009 176.076 176.117 -0.085 0.000 0.994 31 I CA -0.657 60.606 61.300 -0.062 0.000 1.191 31 I CB 1.722 39.687 38.000 -0.058 0.000 1.343 31 I HN 0.225 nan 8.210 nan 0.000 0.458 32 V N 5.259 125.134 119.914 -0.066 0.000 2.368 32 V HA 0.698 4.817 4.120 -0.001 0.000 0.266 32 V C 0.612 176.678 176.094 -0.047 0.000 1.045 32 V CA -0.282 61.978 62.300 -0.066 0.000 0.899 32 V CB 0.568 32.361 31.823 -0.049 0.000 1.006 32 V HN 1.070 nan 8.190 nan 0.000 0.470 33 G N 3.635 112.406 108.800 -0.049 0.000 3.380 33 G HA2 0.059 4.018 3.960 -0.001 0.000 0.685 33 G HA3 0.059 4.018 3.960 -0.001 0.000 0.685 33 G C 0.126 175.010 174.900 -0.026 0.000 1.136 33 G CA -0.550 44.534 45.100 -0.026 0.000 1.011 33 G HN 1.286 nan 8.290 nan 0.000 0.471 34 G N 1.087 109.874 108.800 -0.022 0.000 3.636 34 G HA2 0.661 4.620 3.960 -0.001 0.000 0.260 34 G HA3 0.661 4.620 3.960 -0.001 0.000 0.260 34 G C 0.876 175.776 174.900 -0.000 0.000 1.014 34 G CA 0.849 45.937 45.100 -0.020 0.000 1.797 34 G HN 1.213 nan 8.290 nan 0.000 0.637 35 G N 0.114 108.920 108.800 0.010 0.000 2.782 35 G HA2 0.374 4.333 3.960 -0.001 0.000 0.201 35 G HA3 0.374 4.333 3.960 -0.001 0.000 0.201 35 G C 1.197 176.124 174.900 0.044 0.000 1.374 35 G CA 0.389 45.509 45.100 0.033 0.000 1.039 35 G HN 0.148 nan 8.290 nan 0.000 0.576 36 T N 0.565 115.162 114.554 0.070 0.000 2.635 36 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 36 T C 2.680 177.433 174.700 0.089 0.000 1.040 36 T CA 2.157 64.318 62.100 0.101 0.000 1.156 36 T CB -0.327 68.633 68.868 0.153 0.000 0.863 36 T HN 0.266 nan 8.240 nan 0.000 0.430 37 S N 0.411 116.144 115.700 0.056 0.000 2.421 37 S HA 0.146 4.615 4.470 -0.001 0.000 0.224 37 S C 2.468 177.063 174.600 -0.009 0.000 1.035 37 S CA 0.651 58.862 58.200 0.019 0.000 0.953 37 S CB -0.612 62.573 63.200 -0.024 0.000 0.810 37 S HN 0.606 nan 8.310 nan 0.000 0.497 38 G N 0.874 109.668 108.800 -0.011 0.000 2.440 38 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.218 38 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.218 38 G C 1.572 176.463 174.900 -0.016 0.000 1.154 38 G CA 1.272 46.357 45.100 -0.024 0.000 0.767 38 G HN 0.542 nan 8.290 nan 0.000 0.552 39 C N 1.366 120.669 119.300 0.004 0.000 2.436 39 C HA 0.000 4.459 4.460 -0.001 0.000 0.277 39 C C 0.836 175.858 174.990 0.054 0.000 1.241 39 C CA 1.506 60.531 59.018 0.012 0.000 1.721 39 C CB -0.834 26.905 27.740 -0.001 0.000 2.043 39 C HN 0.411 nan 8.230 nan 0.000 0.472 40 P HA -0.088 nan 4.420 nan 0.000 0.220 40 P C 1.609 178.914 177.300 0.008 0.000 1.148 40 P CA 1.227 64.426 63.100 0.166 0.000 0.803 40 P CB -0.225 31.609 31.700 0.224 0.000 0.782 41 L N 0.443 121.639 121.223 -0.045 0.000 2.027 41 L HA -0.032 4.307 4.340 -0.001 0.000 0.206 41 L C 2.520 179.327 176.870 -0.105 0.000 1.074 41 L CA 2.178 56.950 54.840 -0.113 0.000 0.745 41 L CB -1.588 40.401 42.059 -0.117 0.000 0.898 41 L HN -0.094 nan 8.230 nan 0.000 0.433 42 A N -0.222 122.563 122.820 -0.059 0.000 1.877 42 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 42 A C 2.472 180.040 177.584 -0.027 0.000 1.186 42 A CA 2.062 54.071 52.037 -0.047 0.000 0.620 42 A CB -1.334 17.650 19.000 -0.026 0.000 0.822 42 A HN 0.621 nan 8.150 nan 0.000 0.443 43 A N -1.067 121.769 122.820 0.027 0.000 1.908 43 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 43 A C 2.324 179.932 177.584 0.041 0.000 1.181 43 A CA 2.401 54.484 52.037 0.078 0.000 0.627 43 A CB -1.342 17.789 19.000 0.217 0.000 0.818 43 A HN 0.444 nan 8.150 nan 0.000 0.445 44 T N 0.523 115.057 114.554 -0.034 0.000 2.674 44 T HA -0.105 4.244 4.350 -0.001 0.000 0.265 44 T C 1.818 176.449 174.700 -0.115 0.000 1.039 44 T CA 1.541 63.560 62.100 -0.135 0.000 1.150 44 T CB -0.424 68.275 68.868 -0.282 0.000 0.864 44 T HN 0.365 nan 8.240 nan 0.000 0.427 45 L N 1.639 122.778 121.223 -0.139 0.000 2.083 45 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 45 L C 2.809 179.682 176.870 0.004 0.000 1.083 45 L CA 1.401 56.159 54.840 -0.137 0.000 0.752 45 L CB -0.726 41.143 42.059 -0.317 0.000 0.899 45 L HN 0.386 nan 8.230 nan 0.000 0.433 46 S N -0.962 114.735 115.700 -0.005 0.000 2.507 46 S HA -0.162 4.308 4.470 -0.001 0.000 0.235 46 S C 1.548 176.140 174.600 -0.013 0.000 0.988 46 S CA 0.769 58.974 58.200 0.008 0.000 0.944 46 S CB -0.324 62.849 63.200 -0.046 0.000 0.762 46 S HN 0.478 nan 8.310 nan 0.000 0.526 47 E N 1.059 121.246 120.200 -0.021 0.000 2.204 47 E HA -0.080 4.270 4.350 -0.001 0.000 0.195 47 E C 1.805 178.355 176.600 -0.083 0.000 0.990 47 E CA 1.055 57.434 56.400 -0.035 0.000 0.821 47 E CB 0.016 29.696 29.700 -0.033 0.000 0.750 47 E HN 0.647 nan 8.360 nan 0.000 0.477 48 K N -1.655 118.669 120.400 -0.126 0.000 2.511 48 K HA 0.149 4.468 4.320 -0.001 0.000 0.206 48 K C -0.201 176.094 176.600 -0.507 0.000 1.333 48 K CA 0.016 56.096 56.287 -0.347 0.000 0.957 48 K CB 0.904 33.106 32.500 -0.497 0.000 1.172 48 K HN -0.053 nan 8.250 nan 0.000 0.547 49 Y N 1.032 121.376 120.300 0.072 0.000 2.630 49 Y HA 0.333 4.883 4.550 -0.001 0.000 0.337 49 Y C -0.092 175.886 175.900 0.130 0.000 1.051 49 Y CA -1.374 56.805 58.100 0.132 0.000 1.121 49 Y CB 0.920 39.552 38.460 0.287 0.000 1.299 49 Y HN -0.421 nan 8.280 nan 0.000 0.498 50 K N 1.912 122.515 120.400 0.338 0.000 2.316 50 K HA 0.403 4.722 4.320 -0.001 0.000 0.289 50 K C -1.059 175.743 176.600 0.337 0.000 1.070 50 K CA -0.160 56.290 56.287 0.273 0.000 0.928 50 K CB 0.806 33.441 32.500 0.226 0.000 1.039 50 K HN 0.374 nan 8.250 nan 0.000 0.480 51 V N 4.029 124.085 119.914 0.236 0.000 2.680 51 V HA 0.430 4.549 4.120 -0.001 0.000 0.309 51 V C -0.732 175.314 176.094 -0.080 0.000 1.052 51 V CA -1.151 61.222 62.300 0.122 0.000 0.908 51 V CB 2.005 33.873 31.823 0.075 0.000 1.001 51 V HN 0.545 nan 8.190 nan 0.000 0.431 52 L N 5.104 126.141 121.223 -0.310 0.000 2.381 52 L HA 0.765 5.104 4.340 -0.001 0.000 0.274 52 L C -0.783 175.915 176.870 -0.287 0.000 0.988 52 L CA -0.093 54.443 54.840 -0.508 0.000 0.824 52 L CB 1.924 43.272 42.059 -1.186 0.000 1.263 52 L HN 0.446 nan 8.230 nan 0.000 0.410 53 V N 6.255 126.058 119.914 -0.186 0.000 2.435 53 V HA 0.502 4.621 4.120 -0.001 0.000 0.290 53 V C -0.219 175.769 176.094 -0.176 0.000 1.030 53 V CA -0.513 61.706 62.300 -0.136 0.000 0.881 53 V CB 1.643 33.430 31.823 -0.059 0.000 0.983 53 V HN 0.603 nan 8.190 nan 0.000 0.445 54 L N 4.175 125.280 121.223 -0.197 0.000 2.319 54 L HA 0.631 4.971 4.340 -0.001 0.000 0.281 54 L C -0.512 176.274 176.870 -0.141 0.000 1.005 54 L CA -0.395 54.295 54.840 -0.249 0.000 0.828 54 L CB 1.780 43.609 42.059 -0.384 0.000 1.227 54 L HN 0.637 nan 8.230 nan 0.000 0.415 55 E N 2.657 122.796 120.200 -0.101 0.000 2.176 55 E HA 0.305 4.654 4.350 -0.001 0.000 0.267 55 E C 0.706 177.299 176.600 -0.013 0.000 0.893 55 E CA -0.734 55.639 56.400 -0.044 0.000 0.761 55 E CB 1.318 31.002 29.700 -0.027 0.000 1.133 55 E HN 0.516 nan 8.360 nan 0.000 0.409 56 R N 2.703 123.214 120.500 0.018 0.000 2.115 56 R HA 0.140 4.479 4.340 -0.001 0.000 0.230 56 R C 0.955 177.324 176.300 0.115 0.000 1.111 56 R CA 0.894 57.032 56.100 0.062 0.000 0.976 56 R CB -0.245 30.087 30.300 0.053 0.000 0.870 56 R HN 0.341 nan 8.270 nan 0.000 0.445 57 G N 0.483 109.336 108.800 0.089 0.000 2.563 57 G HA2 0.332 4.291 3.960 -0.001 0.000 0.283 57 G HA3 0.332 4.291 3.960 -0.001 0.000 0.283 57 G C -0.760 174.201 174.900 0.102 0.000 1.309 57 G CA -0.708 44.469 45.100 0.127 0.000 1.022 57 G HN 0.218 nan 8.290 nan 0.000 0.501 58 S N -1.503 114.292 115.700 0.159 0.000 2.686 58 S HA 0.433 4.903 4.470 -0.001 0.000 0.270 58 S C 0.341 174.962 174.600 0.034 0.000 1.194 58 S CA -0.544 57.679 58.200 0.039 0.000 0.990 58 S CB 0.777 64.218 63.200 0.402 0.000 1.029 58 S HN 0.386 nan 8.310 nan 0.000 0.560 59 L N 1.701 122.924 121.223 -0.001 0.000 2.436 59 L HA 0.226 4.566 4.340 -0.001 0.000 0.265 59 L C -1.614 175.335 176.870 0.132 0.000 1.168 59 L CA -1.648 53.232 54.840 0.067 0.000 0.815 59 L CB 0.210 42.261 42.059 -0.015 0.000 1.109 59 L HN 0.435 nan 8.230 nan 0.000 0.462 60 P HA -0.140 nan 4.420 nan 0.000 0.219 60 P C 1.396 178.751 177.300 0.092 0.000 1.146 60 P CA 1.119 64.345 63.100 0.210 0.000 0.808 60 P CB 0.007 31.891 31.700 0.307 0.000 0.779 61 T N -3.186 111.302 114.554 -0.111 0.000 2.929 61 T HA -0.060 4.289 4.350 -0.001 0.000 0.271 61 T C 1.807 176.403 174.700 -0.172 0.000 1.085 61 T CA 1.068 63.005 62.100 -0.271 0.000 1.125 61 T CB -0.979 67.579 68.868 -0.518 0.000 0.874 61 T HN 0.014 nan 8.240 nan 0.000 0.494 62 A N 0.181 122.931 122.820 -0.117 0.000 2.119 62 A HA 0.237 4.557 4.320 -0.001 0.000 0.217 62 A C 0.386 177.629 177.584 -0.570 0.000 1.153 62 A CA 0.260 52.127 52.037 -0.283 0.000 0.692 62 A CB -0.447 18.432 19.000 -0.201 0.000 0.799 62 A HN 0.674 nan 8.150 nan 0.000 0.458 63 Y N -1.600 118.702 120.300 0.004 0.000 2.592 63 Y HA 0.322 4.871 4.550 -0.001 0.000 0.354 63 Y C -2.073 173.832 175.900 0.007 0.000 1.063 63 Y CA -2.103 56.013 58.100 0.027 0.000 1.205 63 Y CB 0.920 39.416 38.460 0.060 0.000 1.106 63 Y HN 0.108 nan 8.280 nan 0.000 0.649 64 P HA -0.239 nan 4.420 nan 0.000 0.218 64 P C 1.021 178.325 177.300 0.007 0.000 1.152 64 P CA 1.633 64.731 63.100 -0.003 0.000 0.857 64 P CB 0.362 32.028 31.700 -0.057 0.000 0.787 65 N N -0.832 117.869 118.700 0.002 0.000 2.571 65 N HA -0.059 4.680 4.740 -0.001 0.000 0.189 65 N C 1.261 176.826 175.510 0.091 0.000 1.154 65 N CA 0.788 53.823 53.050 -0.025 0.000 0.907 65 N CB -0.276 38.087 38.487 -0.206 0.000 0.977 65 N HN 0.205 nan 8.380 nan 0.000 0.449 66 V N -2.321 117.667 119.914 0.123 0.000 3.623 66 V HA 0.163 4.283 4.120 -0.001 0.000 0.271 66 V C 1.379 177.540 176.094 0.112 0.000 1.248 66 V CA 0.587 62.970 62.300 0.138 0.000 1.156 66 V CB -0.590 31.310 31.823 0.128 0.000 0.870 66 V HN 0.079 nan 8.190 nan 0.000 0.453 67 L N 1.694 122.958 121.223 0.069 0.000 2.667 67 L HA 0.346 4.685 4.340 -0.001 0.000 0.232 67 L C 0.842 177.757 176.870 0.074 0.000 1.138 67 L CA 0.663 55.517 54.840 0.023 0.000 0.921 67 L CB 0.003 42.049 42.059 -0.022 0.000 1.180 67 L HN 0.637 nan 8.230 nan 0.000 0.487 68 T N -5.643 108.982 114.554 0.119 0.000 2.900 68 T HA 0.587 4.936 4.350 -0.001 0.000 0.303 68 T C 0.740 175.478 174.700 0.062 0.000 1.142 68 T CA -0.127 62.022 62.100 0.083 0.000 1.007 68 T CB 2.435 71.304 68.868 0.002 0.000 1.156 68 T HN -0.093 nan 8.240 nan 0.000 0.490 69 A N 1.370 124.054 122.820 -0.227 0.000 1.933 69 A HA -0.019 4.300 4.320 -0.001 0.000 0.218 69 A C 1.670 179.128 177.584 -0.210 0.000 1.175 69 A CA 1.914 53.535 52.037 -0.693 0.000 0.628 69 A CB -1.154 17.234 19.000 -1.019 0.000 0.814 69 A HN 0.997 nan 8.150 nan 0.000 0.444 70 D N -1.012 119.325 120.400 -0.104 0.000 2.378 70 D HA 0.145 4.784 4.640 -0.001 0.000 0.227 70 D C 1.208 177.534 176.300 0.043 0.000 1.012 70 D CA 0.838 54.829 54.000 -0.015 0.000 0.905 70 D CB -0.507 40.274 40.800 -0.031 0.000 0.895 70 D HN 0.300 nan 8.370 nan 0.000 0.532 71 G N -0.924 107.919 108.800 0.071 0.000 3.020 71 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.217 71 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.217 71 G C 0.866 175.888 174.900 0.203 0.000 1.144 71 G CA -0.339 44.825 45.100 0.107 0.000 0.760 71 G HN 0.207 nan 8.290 nan 0.000 0.548 72 F N 1.981 121.974 119.950 0.072 0.000 2.027 72 F HA -0.206 4.320 4.527 -0.001 0.000 0.297 72 F C 2.498 178.299 175.800 0.003 0.000 1.129 72 F CA 1.925 59.963 58.000 0.063 0.000 1.195 72 F CB -0.535 38.498 39.000 0.055 0.000 0.960 72 F HN 0.001 nan 8.300 nan 0.000 0.485 73 V N -0.346 119.441 119.914 -0.212 0.000 2.343 73 V HA -0.321 3.799 4.120 -0.001 0.000 0.247 73 V C 2.132 178.054 176.094 -0.288 0.000 1.051 73 V CA 2.093 64.153 62.300 -0.401 0.000 1.036 73 V CB -1.237 30.484 31.823 -0.170 0.000 0.654 73 V HN 0.595 nan 8.190 nan 0.000 0.451 74 Y N 2.003 122.187 120.300 -0.194 0.000 2.081 74 Y HA -0.355 4.194 4.550 -0.001 0.000 0.280 74 Y C 2.338 178.143 175.900 -0.158 0.000 1.163 74 Y CA 2.467 60.483 58.100 -0.140 0.000 1.135 74 Y CB -0.581 37.844 38.460 -0.058 0.000 0.970 74 Y HN 0.407 nan 8.280 nan 0.000 0.498 75 N N -0.015 118.679 118.700 -0.010 0.000 2.149 75 N HA -0.212 4.527 4.740 -0.001 0.000 0.188 75 N C 1.702 177.057 175.510 -0.257 0.000 1.019 75 N CA 1.578 54.570 53.050 -0.098 0.000 0.857 75 N CB -0.334 38.136 38.487 -0.029 0.000 0.997 75 N HN 0.354 nan 8.380 nan 0.000 0.426 76 L N 0.629 121.640 121.223 -0.352 0.000 2.217 76 L HA -0.124 4.215 4.340 -0.001 0.000 0.211 76 L C 2.050 178.751 176.870 -0.282 0.000 1.107 76 L CA 1.008 55.642 54.840 -0.343 0.000 0.783 76 L CB -0.296 41.469 42.059 -0.490 0.000 0.919 76 L HN 0.252 nan 8.230 nan 0.000 0.442 77 Q N -0.310 119.273 119.800 -0.362 0.000 2.311 77 Q HA -0.100 4.239 4.340 -0.001 0.000 0.203 77 Q C 0.967 176.777 176.000 -0.316 0.000 0.954 77 Q CA 0.170 55.769 55.803 -0.339 0.000 0.885 77 Q CB 0.143 28.642 28.738 -0.398 0.000 0.963 77 Q HN 0.446 nan 8.270 nan 0.000 0.471 78 Q N 1.933 121.500 119.800 -0.389 0.000 2.337 78 Q HA -0.026 4.313 4.340 -0.001 0.000 0.270 78 Q C -0.883 174.993 176.000 -0.206 0.000 1.002 78 Q CA -0.015 55.594 55.803 -0.323 0.000 0.888 78 Q CB 0.641 29.182 28.738 -0.328 0.000 1.222 78 Q HN 0.114 nan 8.270 nan 0.000 0.400 79 E N 2.801 122.908 120.200 -0.156 0.000 2.414 79 E HA -0.064 4.285 4.350 -0.001 0.000 0.263 79 E C -0.720 175.806 176.600 -0.124 0.000 1.000 79 E CA -0.063 56.259 56.400 -0.129 0.000 0.914 79 E CB 0.473 30.122 29.700 -0.085 0.000 0.948 79 E HN 0.479 nan 8.360 nan 0.000 0.444 80 D N 2.958 123.268 120.400 -0.150 0.000 2.374 80 D HA -0.022 4.618 4.640 -0.001 0.000 0.240 80 D C -0.128 176.122 176.300 -0.083 0.000 1.229 80 D CA -0.324 53.597 54.000 -0.132 0.000 0.895 80 D CB 0.394 41.089 40.800 -0.175 0.000 1.046 80 D HN 0.366 nan 8.370 nan 0.000 0.498 81 D N 2.257 122.627 120.400 -0.051 0.000 2.342 81 D HA 0.160 4.800 4.640 -0.001 0.000 0.221 81 D C 1.421 177.713 176.300 -0.014 0.000 1.101 81 D CA 0.168 54.154 54.000 -0.023 0.000 0.837 81 D CB 0.016 40.818 40.800 0.003 0.000 0.938 81 D HN 0.529 nan 8.370 nan 0.000 0.508 82 G N 0.675 109.460 108.800 -0.025 0.000 2.199 82 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.254 82 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.254 82 G C 1.051 175.953 174.900 0.002 0.000 0.982 82 G CA 0.488 45.581 45.100 -0.012 0.000 0.632 82 G HN 0.476 nan 8.290 nan 0.000 0.529 83 K N 0.185 120.592 120.400 0.011 0.000 2.474 83 K HA 0.179 4.499 4.320 -0.001 0.000 0.204 83 K C 1.244 177.841 176.600 -0.005 0.000 1.220 83 K CA 0.623 56.942 56.287 0.052 0.000 0.966 83 K CB 0.628 33.190 32.500 0.103 0.000 1.049 83 K HN 0.508 nan 8.250 nan 0.000 0.554 84 T N 1.054 115.541 114.554 -0.112 0.000 2.906 84 T HA 0.030 4.379 4.350 -0.001 0.000 0.320 84 T C -1.594 172.858 174.700 -0.413 0.000 1.088 84 T CA -1.140 60.710 62.100 -0.417 0.000 1.120 84 T CB 0.482 69.198 68.868 -0.254 0.000 1.000 84 T HN -0.091 nan 8.240 nan 0.000 0.550 85 P HA 0.026 nan 4.420 nan 0.000 0.226 85 P C 0.053 177.267 177.300 -0.143 0.000 1.153 85 P CA 0.353 63.276 63.100 -0.295 0.000 0.777 85 P CB 0.085 31.615 31.700 -0.283 0.000 0.794 86 V N 1.466 121.286 119.914 -0.157 0.000 2.328 86 V HA 0.232 4.351 4.120 -0.001 0.000 0.278 86 V C 0.296 176.351 176.094 -0.066 0.000 1.021 86 V CA -0.782 61.464 62.300 -0.090 0.000 0.838 86 V CB 1.247 32.995 31.823 -0.125 0.000 0.999 86 V HN 0.003 nan 8.190 nan 0.000 0.447 87 E N 5.675 125.883 120.200 0.013 0.000 2.200 87 E HA 0.414 4.763 4.350 -0.001 0.000 0.283 87 E C -0.233 176.434 176.600 0.113 0.000 1.015 87 E CA -0.703 55.722 56.400 0.042 0.000 0.819 87 E CB 0.857 30.606 29.700 0.082 0.000 1.081 87 E HN 0.569 nan 8.360 nan 0.000 0.397 88 R N 3.519 124.014 120.500 -0.008 0.000 2.459 88 R HA 0.455 4.795 4.340 -0.001 0.000 0.281 88 R C -0.539 175.875 176.300 0.191 0.000 1.050 88 R CA -0.348 55.714 56.100 -0.063 0.000 1.055 88 R CB 0.690 30.575 30.300 -0.691 0.000 1.045 88 R HN 0.468 nan 8.270 nan 0.000 0.495 89 F N -2.049 118.004 119.950 0.172 0.000 2.713 89 F HA 0.597 5.124 4.527 -0.001 0.000 0.311 89 F C -1.730 174.238 175.800 0.281 0.000 1.141 89 F CA -1.254 56.842 58.000 0.160 0.000 0.939 89 F CB 1.114 40.167 39.000 0.089 0.000 1.325 89 F HN 0.107 nan 8.300 nan 0.000 0.453 90 V N 2.225 122.362 119.914 0.371 0.000 2.531 90 V HA 0.569 4.689 4.120 -0.001 0.000 0.301 90 V C -0.076 176.192 176.094 0.290 0.000 1.034 90 V CA -0.469 61.977 62.300 0.243 0.000 0.865 90 V CB 1.394 33.346 31.823 0.216 0.000 0.995 90 V HN 1.113 nan 8.190 nan 0.000 0.424 91 S N 2.660 118.524 115.700 0.272 0.000 2.600 91 S HA 0.205 4.675 4.470 -0.001 0.000 0.265 91 S C 0.793 175.467 174.600 0.123 0.000 1.325 91 S CA -0.224 58.101 58.200 0.208 0.000 1.002 91 S CB 0.718 64.088 63.200 0.284 0.000 0.921 91 S HN 0.755 nan 8.310 nan 0.000 0.554 92 E N 0.551 120.769 120.200 0.031 0.000 2.338 92 E HA -0.137 4.212 4.350 -0.001 0.000 0.197 92 E C 0.742 177.379 176.600 0.063 0.000 1.007 92 E CA 1.285 57.701 56.400 0.026 0.000 0.849 92 E CB -0.304 29.378 29.700 -0.029 0.000 0.774 92 E HN 0.765 nan 8.360 nan 0.000 0.506 93 D N -0.627 119.843 120.400 0.116 0.000 2.317 93 D HA 0.009 4.648 4.640 -0.001 0.000 0.211 93 D C 1.141 177.533 176.300 0.153 0.000 0.966 93 D CA 0.871 54.976 54.000 0.176 0.000 0.876 93 D CB 0.300 41.320 40.800 0.367 0.000 0.927 93 D HN 0.266 nan 8.370 nan 0.000 0.519 94 G N 0.063 108.947 108.800 0.140 0.000 2.134 94 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.209 94 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.209 94 G C -0.104 174.849 174.900 0.089 0.000 0.993 94 G CA -0.560 44.602 45.100 0.104 0.000 0.669 94 G HN 0.179 nan 8.290 nan 0.000 0.519 95 I N 1.868 122.515 120.570 0.128 0.000 2.321 95 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 95 I C -0.022 176.114 176.117 0.032 0.000 0.998 95 I CA -1.258 60.079 61.300 0.062 0.000 1.227 95 I CB 0.926 38.966 38.000 0.066 0.000 1.368 95 I HN -0.042 nan 8.210 nan 0.000 0.466 96 D N 5.595 125.941 120.400 -0.091 0.000 2.423 96 D HA 0.194 4.834 4.640 -0.001 0.000 0.238 96 D C 0.212 176.392 176.300 -0.200 0.000 1.142 96 D CA 0.647 54.504 54.000 -0.239 0.000 0.884 96 D CB 0.939 41.297 40.800 -0.737 0.000 1.199 96 D HN 0.432 nan 8.370 nan 0.000 0.438 97 N N -0.519 118.040 118.700 -0.235 0.000 3.020 97 N HA 0.527 5.266 4.740 -0.001 0.000 0.248 97 N C -1.735 173.597 175.510 -0.298 0.000 1.480 97 N CA -0.530 52.336 53.050 -0.306 0.000 0.874 97 N CB 1.787 39.812 38.487 -0.770 0.000 1.433 97 N HN 0.147 nan 8.380 nan 0.000 0.530 98 V N -1.480 118.406 119.914 -0.046 0.000 3.147 98 V HA 0.884 5.003 4.120 -0.001 0.000 0.306 98 V C -1.166 175.232 176.094 0.507 0.000 1.209 98 V CA -0.907 61.512 62.300 0.198 0.000 1.023 98 V CB 2.236 34.101 31.823 0.069 0.000 1.059 98 V HN 0.932 nan 8.190 nan 0.000 0.435 99 R N 1.219 121.998 120.500 0.466 0.000 2.774 99 R HA 0.831 5.171 4.340 -0.001 0.000 0.272 99 R C -0.028 176.408 176.300 0.226 0.000 1.000 99 R CA -0.307 56.058 56.100 0.441 0.000 0.906 99 R CB 1.732 32.310 30.300 0.464 0.000 1.227 99 R HN 1.389 nan 8.270 nan 0.000 0.468 100 G N 0.784 109.694 108.800 0.183 0.000 2.527 100 G HA2 0.343 4.302 3.960 -0.001 0.000 0.248 100 G HA3 0.343 4.302 3.960 -0.001 0.000 0.248 100 G C -0.656 174.292 174.900 0.079 0.000 1.231 100 G CA -0.770 44.392 45.100 0.104 0.000 0.838 100 G HN 0.596 nan 8.290 nan 0.000 0.570 101 R N 0.497 121.020 120.500 0.038 0.000 2.837 101 R HA 0.463 4.802 4.340 -0.001 0.000 0.245 101 R C -1.544 174.769 176.300 0.021 0.000 1.712 101 R CA -0.299 55.819 56.100 0.030 0.000 1.539 101 R CB 1.040 31.349 30.300 0.015 0.000 1.490 101 R HN 0.608 nan 8.270 nan 0.000 0.667 102 V N 2.555 122.494 119.914 0.042 0.000 3.234 102 V HA 0.307 4.426 4.120 -0.001 0.000 0.280 102 V C -1.757 174.375 176.094 0.063 0.000 1.580 102 V CA -1.054 61.281 62.300 0.058 0.000 1.032 102 V CB 1.963 33.818 31.823 0.054 0.000 1.203 102 V HN 0.463 nan 8.190 nan 0.000 0.459 103 L N 5.258 126.524 121.223 0.071 0.000 2.462 103 L HA 0.674 5.013 4.340 -0.001 0.000 0.272 103 L C 1.188 178.104 176.870 0.076 0.000 1.166 103 L CA 2.272 57.147 54.840 0.059 0.000 0.880 103 L CB 0.600 42.703 42.059 0.073 0.000 1.142 103 L HN 1.561 nan 8.230 nan 0.000 0.473 104 G N 2.087 110.914 108.800 0.045 0.000 2.218 104 G HA2 0.048 4.007 3.960 -0.001 0.000 0.216 104 G HA3 0.048 4.007 3.960 -0.001 0.000 0.216 104 G C 1.022 175.963 174.900 0.068 0.000 0.994 104 G CA 0.143 45.279 45.100 0.059 0.000 0.637 104 G HN 1.816 nan 8.290 nan 0.000 0.505 105 G N -0.707 108.132 108.800 0.065 0.000 2.575 105 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.267 105 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.267 105 G C 0.936 175.889 174.900 0.089 0.000 1.264 105 G CA 1.144 46.288 45.100 0.074 0.000 0.935 105 G HN 1.324 nan 8.290 nan 0.000 0.568 106 T N 1.136 115.755 114.554 0.107 0.000 3.051 106 T HA 0.059 4.409 4.350 -0.001 0.000 0.269 106 T C 2.664 177.432 174.700 0.113 0.000 1.127 106 T CA 2.184 64.356 62.100 0.120 0.000 1.107 106 T CB -0.388 68.572 68.868 0.154 0.000 0.898 106 T HN 1.455 nan 8.240 nan 0.000 0.517 107 S N 1.071 116.834 115.700 0.105 0.000 2.515 107 S HA 0.040 4.509 4.470 -0.001 0.000 0.231 107 S C 1.801 176.442 174.600 0.068 0.000 0.987 107 S CA 0.215 58.469 58.200 0.089 0.000 0.936 107 S CB -0.425 62.832 63.200 0.095 0.000 0.766 107 S HN 0.344 nan 8.310 nan 0.000 0.528 108 I N 1.802 122.423 120.570 0.084 0.000 3.226 108 I HA 0.191 4.360 4.170 -0.001 0.000 0.277 108 I C 1.753 177.931 176.117 0.102 0.000 1.243 108 I CA 0.728 62.080 61.300 0.088 0.000 1.459 108 I CB -0.472 37.585 38.000 0.094 0.000 1.093 108 I HN 0.565 nan 8.210 nan 0.000 0.453 109 I N -1.680 118.956 120.570 0.110 0.000 4.147 109 I HA 0.214 4.383 4.170 -0.001 0.000 0.329 109 I C 0.490 176.748 176.117 0.235 0.000 1.424 109 I CA -0.543 60.843 61.300 0.143 0.000 1.127 109 I CB -0.144 37.890 38.000 0.058 0.000 1.128 109 I HN 0.011 nan 8.210 nan 0.000 0.417 110 N N 2.419 121.231 118.700 0.185 0.000 2.366 110 N HA 0.291 5.031 4.740 -0.001 0.000 0.277 110 N C 0.990 176.541 175.510 0.068 0.000 1.275 110 N CA 0.111 53.279 53.050 0.198 0.000 0.964 110 N CB 0.508 39.083 38.487 0.147 0.000 1.167 110 N HN 0.066 nan 8.380 nan 0.000 0.568 111 A N -2.132 120.641 122.820 -0.078 0.000 2.235 111 A HA 0.357 4.677 4.320 -0.001 0.000 0.208 111 A C 1.532 179.102 177.584 -0.023 0.000 1.172 111 A CA 0.533 52.345 52.037 -0.376 0.000 0.786 111 A CB -1.546 17.290 19.000 -0.274 0.000 0.804 111 A HN 1.398 nan 8.150 nan 0.000 0.479 112 G N -1.360 107.369 108.800 -0.118 0.000 2.189 112 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.267 112 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.267 112 G C 0.346 175.238 174.900 -0.013 0.000 0.975 112 G CA 0.348 45.296 45.100 -0.254 0.000 0.644 112 G HN 0.849 nan 8.290 nan 0.000 0.537 113 V N 0.566 120.488 119.914 0.014 0.000 2.529 113 V HA 0.395 4.514 4.120 -0.001 0.000 0.292 113 V C 0.186 176.287 176.094 0.012 0.000 1.028 113 V CA 0.126 62.387 62.300 -0.064 0.000 1.074 113 V CB 0.854 32.394 31.823 -0.472 0.000 0.958 113 V HN 0.353 nan 8.190 nan 0.000 0.481 114 Y N 4.142 124.401 120.300 -0.067 0.000 2.341 114 Y HA 0.719 5.268 4.550 -0.001 0.000 0.338 114 Y C -0.054 175.797 175.900 -0.081 0.000 0.965 114 Y CA -0.388 57.684 58.100 -0.047 0.000 1.108 114 Y CB 1.473 39.922 38.460 -0.019 0.000 1.180 114 Y HN 0.780 nan 8.280 nan 0.000 0.458 115 A N 6.377 128.798 122.820 -0.664 0.000 2.549 115 A HA 0.704 5.024 4.320 -0.001 0.000 0.297 115 A C -1.309 175.854 177.584 -0.702 0.000 1.061 115 A CA -1.085 50.657 52.037 -0.491 0.000 0.690 115 A CB 1.533 20.381 19.000 -0.253 0.000 1.287 115 A HN 0.851 nan 8.150 nan 0.000 0.402 116 R N 0.572 120.742 120.500 -0.551 0.000 2.500 116 R HA 0.594 4.933 4.340 -0.001 0.000 0.275 116 R C 0.509 176.570 176.300 -0.398 0.000 1.051 116 R CA 0.007 55.713 56.100 -0.657 0.000 1.088 116 R CB 1.323 31.140 30.300 -0.806 0.000 1.063 116 R HN 0.916 nan 8.270 nan 0.000 0.511 117 A N 2.058 124.735 122.820 -0.239 0.000 2.425 117 A HA -0.020 4.300 4.320 -0.001 0.000 0.242 117 A C 0.242 177.646 177.584 -0.301 0.000 1.077 117 A CA -0.376 51.461 52.037 -0.333 0.000 0.781 117 A CB 0.127 18.888 19.000 -0.399 0.000 1.020 117 A HN 0.747 nan 8.150 nan 0.000 0.494 118 N N 0.981 119.423 118.700 -0.430 0.000 2.365 118 N HA -0.069 4.670 4.740 -0.001 0.000 0.265 118 N C 1.448 176.841 175.510 -0.196 0.000 1.288 118 N CA 1.000 53.893 53.050 -0.262 0.000 0.869 118 N CB 0.582 38.872 38.487 -0.328 0.000 1.071 118 N HN 0.716 nan 8.380 nan 0.000 0.480 119 T N 0.091 114.617 114.554 -0.046 0.000 3.098 119 T HA -0.046 4.303 4.350 -0.001 0.000 0.266 119 T C 1.244 175.994 174.700 0.084 0.000 1.145 119 T CA 0.898 63.057 62.100 0.098 0.000 1.092 119 T CB -0.069 68.814 68.868 0.024 0.000 0.908 119 T HN 0.348 nan 8.240 nan 0.000 0.526 120 S N 1.010 116.685 115.700 -0.043 0.000 2.535 120 S HA 0.321 4.791 4.470 -0.001 0.000 0.214 120 S C 1.701 176.233 174.600 -0.114 0.000 0.980 120 S CA -0.050 58.120 58.200 -0.050 0.000 0.907 120 S CB -0.291 62.871 63.200 -0.063 0.000 0.790 120 S HN 0.813 nan 8.310 nan 0.000 0.510 121 I N -2.427 117.978 120.570 -0.276 0.000 3.419 121 I HA 0.102 4.271 4.170 -0.001 0.000 0.286 121 I C 1.462 177.322 176.117 -0.427 0.000 1.268 121 I CA 0.582 61.645 61.300 -0.395 0.000 1.414 121 I CB -0.479 37.165 38.000 -0.592 0.000 1.074 121 I HN 0.068 nan 8.210 nan 0.000 0.457 122 Y N 1.619 121.740 120.300 -0.299 0.000 2.242 122 Y HA -0.110 4.440 4.550 -0.001 0.000 0.291 122 Y C 3.002 178.925 175.900 0.038 0.000 1.137 122 Y CA 1.562 59.480 58.100 -0.302 0.000 1.181 122 Y CB -0.603 37.575 38.460 -0.469 0.000 0.989 122 Y HN 0.146 nan 8.280 nan 0.000 0.527 123 S N -0.402 115.395 115.700 0.162 0.000 2.383 123 S HA -0.170 4.299 4.470 -0.001 0.000 0.229 123 S C 1.918 176.586 174.600 0.112 0.000 1.030 123 S CA 1.200 59.486 58.200 0.143 0.000 1.002 123 S CB -0.443 62.807 63.200 0.083 0.000 0.829 123 S HN 0.472 nan 8.310 nan 0.000 0.467 124 A N 0.665 123.522 122.820 0.061 0.000 2.423 124 A HA 0.297 4.616 4.320 -0.001 0.000 0.246 124 A C 1.797 179.417 177.584 0.061 0.000 1.278 124 A CA 0.510 52.576 52.037 0.050 0.000 0.903 124 A CB -0.231 18.782 19.000 0.021 0.000 0.997 124 A HN 0.476 nan 8.150 nan 0.000 0.510 125 S N -1.505 114.255 115.700 0.099 0.000 2.453 125 S HA 0.291 4.760 4.470 -0.001 0.000 0.231 125 S C 1.551 176.292 174.600 0.236 0.000 1.005 125 S CA 1.171 59.449 58.200 0.130 0.000 0.949 125 S CB -0.266 63.027 63.200 0.156 0.000 0.774 125 S HN 1.794 nan 8.310 nan 0.000 0.510 126 G N -0.242 108.651 108.800 0.156 0.000 2.159 126 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.227 126 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.227 126 G C -0.082 174.824 174.900 0.010 0.000 0.986 126 G CA -0.053 45.092 45.100 0.074 0.000 0.651 126 G HN 0.737 nan 8.290 nan 0.000 0.523 127 V N 0.807 120.740 119.914 0.031 0.000 2.604 127 V HA 0.570 4.690 4.120 -0.001 0.000 0.305 127 V C -0.623 175.361 176.094 -0.184 0.000 1.043 127 V CA -0.759 61.407 62.300 -0.223 0.000 0.888 127 V CB 1.987 33.466 31.823 -0.573 0.000 0.995 127 V HN 0.247 nan 8.190 nan 0.000 0.429 128 D N 3.901 124.209 120.400 -0.153 0.000 2.453 128 D HA 0.174 4.813 4.640 -0.001 0.000 0.223 128 D C -0.556 175.753 176.300 0.016 0.000 1.183 128 D CA -0.296 53.702 54.000 -0.004 0.000 0.933 128 D CB 0.215 41.022 40.800 0.011 0.000 1.038 128 D HN 0.372 nan 8.370 nan 0.000 0.513 129 W N 2.078 123.457 121.300 0.132 0.000 2.190 129 W HA 0.161 4.821 4.660 -0.001 0.000 0.330 129 W C 0.932 177.514 176.519 0.106 0.000 1.299 129 W CA -0.680 56.740 57.345 0.125 0.000 1.215 129 W CB 0.580 30.051 29.460 0.018 0.000 1.147 129 W HN 0.247 nan 8.180 nan 0.000 0.563 130 D N 3.970 124.644 120.400 0.458 0.000 2.456 130 D HA 0.056 4.695 4.640 -0.001 0.000 0.219 130 D C 0.997 177.436 176.300 0.232 0.000 1.126 130 D CA -0.116 54.049 54.000 0.276 0.000 0.890 130 D CB 0.748 41.683 40.800 0.225 0.000 1.025 130 D HN 0.186 nan 8.370 nan 0.000 0.511 131 M N 1.896 121.550 119.600 0.090 0.000 2.213 131 M HA -0.119 4.360 4.480 -0.001 0.000 0.263 131 M C 1.083 177.381 176.300 -0.003 0.000 1.062 131 M CA 0.992 56.268 55.300 -0.041 0.000 1.105 131 M CB -0.478 32.059 32.600 -0.104 0.000 1.385 131 M HN 0.360 nan 8.290 nan 0.000 0.417 132 D N 0.171 120.590 120.400 0.031 0.000 2.117 132 D HA -0.126 4.513 4.640 -0.001 0.000 0.197 132 D C 2.074 178.399 176.300 0.041 0.000 0.987 132 D CA 0.937 54.953 54.000 0.027 0.000 0.829 132 D CB -0.228 40.585 40.800 0.022 0.000 0.961 132 D HN 0.245 nan 8.370 nan 0.000 0.460 133 L N 0.744 122.011 121.223 0.074 0.000 2.093 133 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 133 L C 2.235 179.179 176.870 0.123 0.000 1.085 133 L CA 1.137 56.023 54.840 0.077 0.000 0.755 133 L CB -0.462 41.632 42.059 0.060 0.000 0.904 133 L HN -0.166 nan 8.230 nan 0.000 0.435 134 V N 0.461 120.465 119.914 0.151 0.000 2.255 134 V HA -0.329 3.791 4.120 -0.001 0.000 0.247 134 V C 2.389 178.439 176.094 -0.074 0.000 1.051 134 V CA 2.119 64.398 62.300 -0.034 0.000 1.018 134 V CB -0.890 30.791 31.823 -0.237 0.000 0.641 134 V HN 0.514 nan 8.190 nan 0.000 0.445 135 N N -0.220 118.511 118.700 0.052 0.000 2.188 135 N HA -0.159 4.580 4.740 -0.001 0.000 0.184 135 N C 1.911 177.506 175.510 0.142 0.000 1.018 135 N CA 1.186 54.338 53.050 0.170 0.000 0.858 135 N CB -0.344 38.206 38.487 0.105 0.000 0.989 135 N HN 0.585 nan 8.380 nan 0.000 0.426 136 Q N -0.418 119.428 119.800 0.078 0.000 2.124 136 Q HA -0.039 4.300 4.340 -0.001 0.000 0.202 136 Q C 1.586 177.642 176.000 0.093 0.000 0.977 136 Q CA 1.489 57.337 55.803 0.074 0.000 0.850 136 Q CB -0.074 28.681 28.738 0.028 0.000 0.901 136 Q HN 0.360 nan 8.270 nan 0.000 0.429 137 T N -0.254 114.318 114.554 0.031 0.000 2.857 137 T HA -0.117 4.233 4.350 -0.001 0.000 0.266 137 T C 1.351 176.135 174.700 0.140 0.000 1.048 137 T CA 0.929 63.029 62.100 0.001 0.000 1.139 137 T CB -0.330 68.472 68.868 -0.111 0.000 0.874 137 T HN 0.345 nan 8.240 nan 0.000 0.455 138 Y N 1.666 122.046 120.300 0.133 0.000 2.181 138 Y HA -0.158 4.391 4.550 -0.001 0.000 0.288 138 Y C 2.657 178.643 175.900 0.143 0.000 1.146 138 Y CA 1.020 59.213 58.100 0.155 0.000 1.164 138 Y CB -0.128 38.402 38.460 0.117 0.000 0.982 138 Y HN 0.314 nan 8.280 nan 0.000 0.515 139 E N -1.037 119.332 120.200 0.282 0.000 2.077 139 E HA -0.286 4.063 4.350 -0.001 0.000 0.193 139 E C 1.777 178.481 176.600 0.174 0.000 0.989 139 E CA 1.377 57.879 56.400 0.170 0.000 0.800 139 E CB -0.462 29.317 29.700 0.132 0.000 0.746 139 E HN 0.579 nan 8.360 nan 0.000 0.452 140 W N 1.057 122.366 121.300 0.015 0.000 2.338 140 W HA -0.240 4.420 4.660 -0.001 0.000 0.304 140 W C 2.014 178.516 176.519 -0.028 0.000 1.212 140 W CA 1.432 58.770 57.345 -0.012 0.000 1.264 140 W CB -0.201 29.253 29.460 -0.010 0.000 1.142 140 W HN -0.173 nan 8.180 nan 0.000 0.512 141 V N 0.686 120.797 119.914 0.329 0.000 2.323 141 V HA -0.279 3.841 4.120 -0.001 0.000 0.244 141 V C 2.031 178.059 176.094 -0.110 0.000 1.041 141 V CA 2.388 64.763 62.300 0.126 0.000 1.025 141 V CB -0.981 31.014 31.823 0.286 0.000 0.656 141 V HN 0.156 nan 8.190 nan 0.000 0.451 142 E N 0.078 120.218 120.200 -0.100 0.000 2.110 142 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 142 E C 1.769 178.180 176.600 -0.316 0.000 0.988 142 E CA 1.409 57.635 56.400 -0.290 0.000 0.804 142 E CB -0.184 29.391 29.700 -0.209 0.000 0.745 142 E HN 0.557 nan 8.360 nan 0.000 0.458 143 D N -0.558 119.705 120.400 -0.228 0.000 2.348 143 D HA -0.050 4.589 4.640 -0.001 0.000 0.216 143 D C 1.298 177.404 176.300 -0.324 0.000 0.970 143 D CA 0.896 54.748 54.000 -0.247 0.000 0.889 143 D CB 0.122 40.821 40.800 -0.169 0.000 0.912 143 D HN 0.135 nan 8.370 nan 0.000 0.524 144 T N -0.238 114.093 114.554 -0.372 0.000 3.056 144 T HA 0.152 4.501 4.350 -0.001 0.000 0.241 144 T C 1.694 176.161 174.700 -0.387 0.000 1.006 144 T CA 0.051 61.924 62.100 -0.379 0.000 1.115 144 T CB 0.661 69.267 68.868 -0.436 0.000 0.939 144 T HN 0.267 nan 8.240 nan 0.000 0.462 145 I N -1.283 119.046 120.570 -0.402 0.000 4.026 145 I HA 0.517 4.687 4.170 -0.001 0.000 0.324 145 I C -0.891 174.963 176.117 -0.438 0.000 1.474 145 I CA -0.533 60.572 61.300 -0.325 0.000 1.107 145 I CB 0.791 38.739 38.000 -0.087 0.000 1.345 145 I HN -0.186 nan 8.210 nan 0.000 0.531 146 V N 1.588 121.036 119.914 -0.777 0.000 2.555 146 V HA 0.540 4.659 4.120 -0.001 0.000 0.302 146 V C -0.994 174.574 176.094 -0.877 0.000 1.038 146 V CA -0.391 61.499 62.300 -0.683 0.000 0.887 146 V CB 1.551 32.897 31.823 -0.795 0.000 0.991 146 V HN 0.172 nan 8.190 nan 0.000 0.434 147 Y N 1.510 121.752 120.300 -0.096 0.000 2.536 147 Y HA 0.509 5.058 4.550 -0.001 0.000 0.347 147 Y C 0.112 176.011 175.900 -0.002 0.000 1.000 147 Y CA -1.268 56.800 58.100 -0.053 0.000 1.051 147 Y CB 1.631 40.067 38.460 -0.040 0.000 1.259 147 Y HN 0.482 nan 8.280 nan 0.000 0.468 148 K N 5.178 125.595 120.400 0.029 0.000 2.316 148 K HA 0.281 4.600 4.320 -0.001 0.000 0.289 148 K C -2.560 173.969 176.600 -0.120 0.000 1.070 148 K CA -1.699 54.416 56.287 -0.288 0.000 0.928 148 K CB 0.426 32.543 32.500 -0.638 0.000 1.039 148 K HN 0.394 nan 8.250 nan 0.000 0.480 149 P HA 0.004 nan 4.420 nan 0.000 0.272 149 P C -0.942 176.344 177.300 -0.024 0.000 1.230 149 P CA -0.088 63.027 63.100 0.026 0.000 0.788 149 P CB 0.655 32.415 31.700 0.101 0.000 0.949 150 N N -0.496 118.206 118.700 0.004 0.000 2.444 150 N HA 0.158 4.897 4.740 -0.001 0.000 0.255 150 N C 0.356 175.872 175.510 0.011 0.000 1.255 150 N CA -0.431 52.616 53.050 -0.005 0.000 0.933 150 N CB 0.333 38.821 38.487 0.002 0.000 1.143 150 N HN 0.451 nan 8.380 nan 0.000 0.453 151 S N 0.532 116.236 115.700 0.008 0.000 2.576 151 S HA 0.169 4.638 4.470 -0.001 0.000 0.276 151 S C -0.542 174.079 174.600 0.034 0.000 1.339 151 S CA -0.540 57.674 58.200 0.023 0.000 1.039 151 S CB 0.857 64.068 63.200 0.018 0.000 0.902 151 S HN 0.487 nan 8.310 nan 0.000 0.516 152 Q N 1.248 121.076 119.800 0.048 0.000 2.285 152 Q HA 0.369 4.708 4.340 -0.001 0.000 0.269 152 Q C 0.560 176.602 176.000 0.071 0.000 1.030 152 Q CA -0.633 55.207 55.803 0.061 0.000 0.788 152 Q CB 1.941 30.724 28.738 0.076 0.000 1.266 152 Q HN 0.765 nan 8.270 nan 0.000 0.438 153 S N 2.711 118.463 115.700 0.086 0.000 2.369 153 S HA -0.196 4.273 4.470 -0.001 0.000 0.225 153 S C 1.142 175.808 174.600 0.110 0.000 1.043 153 S CA 1.689 59.950 58.200 0.102 0.000 1.074 153 S CB -0.063 63.217 63.200 0.133 0.000 0.962 153 S HN 0.857 nan 8.310 nan 0.000 0.433 154 W N 1.325 122.613 121.300 -0.020 0.000 2.363 154 W HA -0.101 4.558 4.660 -0.001 0.000 0.296 154 W C 2.068 178.565 176.519 -0.036 0.000 1.212 154 W CA 1.250 58.556 57.345 -0.065 0.000 1.260 154 W CB -0.310 29.073 29.460 -0.129 0.000 1.131 154 W HN 0.430 nan 8.180 nan 0.000 0.530 155 Q N 0.072 119.843 119.800 -0.047 0.000 2.167 155 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 155 Q C 2.233 178.167 176.000 -0.110 0.000 0.970 155 Q CA 1.647 57.405 55.803 -0.075 0.000 0.855 155 Q CB -0.800 27.976 28.738 0.063 0.000 0.911 155 Q HN 0.197 nan 8.270 nan 0.000 0.438 156 S N 0.323 115.977 115.700 -0.075 0.000 2.383 156 S HA -0.072 4.398 4.470 -0.001 0.000 0.227 156 S C 2.175 176.704 174.600 -0.118 0.000 1.026 156 S CA 0.841 59.013 58.200 -0.048 0.000 0.981 156 S CB -0.103 63.095 63.200 -0.003 0.000 0.818 156 S HN 0.127 nan 8.310 nan 0.000 0.472 157 V N 1.818 121.581 119.914 -0.251 0.000 2.343 157 V HA -0.183 3.936 4.120 -0.001 0.000 0.247 157 V C 2.505 178.358 176.094 -0.400 0.000 1.051 157 V CA 2.079 64.180 62.300 -0.333 0.000 1.036 157 V CB -1.293 30.181 31.823 -0.582 0.000 0.654 157 V HN 0.502 nan 8.190 nan 0.000 0.451 158 T N -0.426 113.784 114.554 -0.574 0.000 2.746 158 T HA -0.254 4.095 4.350 -0.001 0.000 0.267 158 T C 1.940 176.556 174.700 -0.140 0.000 1.039 158 T CA 1.876 63.728 62.100 -0.413 0.000 1.142 158 T CB -0.214 68.426 68.868 -0.381 0.000 0.866 158 T HN 0.494 nan 8.240 nan 0.000 0.444 159 K N 0.857 121.260 120.400 0.004 0.000 2.057 159 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 159 K C 2.496 179.170 176.600 0.122 0.000 1.049 159 K CA 1.818 58.202 56.287 0.162 0.000 0.931 159 K CB -0.317 32.250 32.500 0.113 0.000 0.714 159 K HN 0.506 nan 8.250 nan 0.000 0.440 160 T N -1.725 112.847 114.554 0.031 0.000 2.867 160 T HA -0.011 4.339 4.350 -0.001 0.000 0.268 160 T C 1.992 176.716 174.700 0.041 0.000 1.057 160 T CA 0.948 63.073 62.100 0.041 0.000 1.136 160 T CB -0.324 68.555 68.868 0.019 0.000 0.874 160 T HN 0.260 nan 8.240 nan 0.000 0.466 161 A N 0.805 123.607 122.820 -0.030 0.000 1.873 161 A HA 0.180 4.499 4.320 -0.001 0.000 0.215 161 A C 2.099 179.679 177.584 -0.005 0.000 1.186 161 A CA 1.043 53.040 52.037 -0.066 0.000 0.616 161 A CB -1.161 17.728 19.000 -0.184 0.000 0.823 161 A HN 0.544 nan 8.150 nan 0.000 0.442 162 F N 0.047 120.039 119.950 0.070 0.000 2.095 162 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 162 F C 2.180 178.025 175.800 0.075 0.000 1.104 162 F CA 1.146 59.192 58.000 0.077 0.000 1.232 162 F CB -0.238 38.818 39.000 0.093 0.000 0.987 162 F HN 0.117 nan 8.300 nan 0.000 0.475 163 L N -0.349 121.055 121.223 0.303 0.000 2.093 163 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 163 L C 2.354 179.395 176.870 0.285 0.000 1.085 163 L CA 1.345 56.366 54.840 0.302 0.000 0.755 163 L CB -0.592 41.589 42.059 0.203 0.000 0.904 163 L HN 0.177 nan 8.230 nan 0.000 0.435 164 E N 0.366 120.665 120.200 0.165 0.000 2.150 164 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 164 E C 1.835 178.483 176.600 0.079 0.000 0.985 164 E CA 0.874 57.343 56.400 0.115 0.000 0.814 164 E CB 0.077 29.820 29.700 0.072 0.000 0.752 164 E HN 0.448 nan 8.360 nan 0.000 0.466 165 A N -0.147 122.714 122.820 0.068 0.000 2.302 165 A HA 0.278 4.597 4.320 -0.001 0.000 0.219 165 A C 1.391 178.942 177.584 -0.054 0.000 1.243 165 A CA 0.741 52.795 52.037 0.029 0.000 0.856 165 A CB -0.419 18.620 19.000 0.065 0.000 0.893 165 A HN 0.374 nan 8.150 nan 0.000 0.491 166 G N -1.488 107.180 108.800 -0.221 0.000 2.143 166 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.248 166 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.248 166 G C 0.201 174.692 174.900 -0.682 0.000 0.991 166 G CA 0.198 44.885 45.100 -0.688 0.000 0.689 166 G HN 0.825 nan 8.290 nan 0.000 0.522 167 V N 2.142 121.884 119.914 -0.287 0.000 2.287 167 V HA 0.326 4.445 4.120 -0.001 0.000 0.246 167 V C 0.727 176.826 176.094 0.010 0.000 1.165 167 V CA -0.051 62.189 62.300 -0.100 0.000 1.088 167 V CB -0.625 31.207 31.823 0.016 0.000 1.242 167 V HN 0.503 nan 8.190 nan 0.000 0.497 168 H N 4.859 123.909 119.070 -0.033 0.000 2.616 168 H HA 0.543 5.099 4.556 -0.001 0.000 0.353 168 H C -2.144 173.123 175.328 -0.102 0.000 1.170 168 H CA -2.189 53.817 56.048 -0.070 0.000 1.212 168 H CB 2.348 32.078 29.762 -0.053 0.000 1.653 168 H HN 0.368 nan 8.280 nan 0.000 0.537 169 P HA 0.035 nan 4.420 nan 0.000 0.306 169 P C -0.753 176.374 177.300 -0.288 0.000 1.309 169 P CA -0.579 62.417 63.100 -0.173 0.000 0.759 169 P CB 0.963 32.499 31.700 -0.272 0.000 1.314 170 N N -0.564 117.967 118.700 -0.282 0.000 2.426 170 N HA 0.076 4.815 4.740 -0.001 0.000 0.275 170 N C 0.500 175.829 175.510 -0.301 0.000 1.019 170 N CA -0.061 52.870 53.050 -0.198 0.000 0.941 170 N CB 0.024 38.454 38.487 -0.095 0.000 1.123 170 N HN 0.274 nan 8.380 nan 0.000 0.486 171 H N 2.612 121.661 119.070 -0.034 0.000 2.586 171 H HA 0.225 4.780 4.556 -0.001 0.000 0.273 171 H C 1.303 176.616 175.328 -0.025 0.000 0.997 171 H CA 0.483 56.502 56.048 -0.049 0.000 1.177 171 H CB 0.249 29.958 29.762 -0.089 0.000 1.471 171 H HN 0.793 nan 8.280 nan 0.000 0.538 172 G N 1.836 110.690 108.800 0.090 0.000 2.556 172 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.283 172 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.283 172 G C -0.298 174.699 174.900 0.161 0.000 1.177 172 G CA 0.223 45.389 45.100 0.110 0.000 0.978 172 G HN 0.349 nan 8.290 nan 0.000 0.554 173 F N 2.384 122.355 119.950 0.035 0.000 2.405 173 F HA 0.711 5.237 4.527 -0.001 0.000 0.355 173 F C 0.307 176.117 175.800 0.016 0.000 1.121 173 F CA -0.066 57.950 58.000 0.026 0.000 1.112 173 F CB 1.634 40.646 39.000 0.020 0.000 1.126 173 F HN 0.895 nan 8.300 nan 0.000 0.481 174 S N 5.899 121.167 115.700 -0.720 0.000 2.535 174 S HA 0.427 4.897 4.470 -0.001 0.000 0.272 174 S C 0.055 174.291 174.600 -0.606 0.000 1.149 174 S CA -0.782 57.038 58.200 -0.633 0.000 0.888 174 S CB 0.990 64.005 63.200 -0.308 0.000 1.110 174 S HN 0.753 nan 8.310 nan 0.000 0.463 175 L N 1.794 122.717 121.223 -0.500 0.000 2.446 175 L HA 0.251 4.591 4.340 -0.001 0.000 0.219 175 L C 0.277 176.980 176.870 -0.278 0.000 1.116 175 L CA 0.336 54.993 54.840 -0.305 0.000 0.844 175 L CB -0.130 41.828 42.059 -0.168 0.000 0.970 175 L HN 0.577 nan 8.230 nan 0.000 0.457 176 D N -0.020 120.198 120.400 -0.303 0.000 2.350 176 D HA 0.018 4.658 4.640 -0.001 0.000 0.249 176 D C -0.194 175.926 176.300 -0.302 0.000 1.119 176 D CA 0.005 53.832 54.000 -0.289 0.000 0.886 176 D CB 1.006 41.644 40.800 -0.271 0.000 1.195 176 D HN 0.054 nan 8.370 nan 0.000 0.437 177 H N 2.228 121.092 119.070 -0.344 0.000 3.157 177 H HA 0.135 4.690 4.556 -0.001 0.000 0.260 177 H C -0.596 174.534 175.328 -0.330 0.000 1.232 177 H CA 0.382 56.220 56.048 -0.351 0.000 1.488 177 H CB 0.106 29.637 29.762 -0.385 0.000 1.548 177 H HN 0.241 nan 8.280 nan 0.000 0.487 178 E N 3.242 123.077 120.200 -0.609 0.000 2.340 178 E HA 0.110 4.460 4.350 -0.001 0.000 0.273 178 E C -0.809 175.553 176.600 -0.396 0.000 0.891 178 E CA -1.147 54.965 56.400 -0.481 0.000 0.757 178 E CB 1.982 31.347 29.700 -0.558 0.000 1.231 178 E HN 0.653 nan 8.360 nan 0.000 0.439 179 E N 1.036 121.105 120.200 -0.218 0.000 2.452 179 E HA 0.245 4.595 4.350 -0.001 0.000 0.261 179 E C 0.112 176.736 176.600 0.038 0.000 0.987 179 E CA 0.855 57.175 56.400 -0.132 0.000 0.926 179 E CB 0.304 29.946 29.700 -0.096 0.000 0.934 179 E HN 0.709 nan 8.360 nan 0.000 0.452 180 G N 2.511 111.292 108.800 -0.032 0.000 2.373 180 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.634 180 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.634 180 G C -0.803 174.086 174.900 -0.017 0.000 1.267 180 G CA -0.404 44.707 45.100 0.019 0.000 1.008 180 G HN 0.575 nan 8.290 nan 0.000 0.497 181 T N 0.905 115.467 114.554 0.013 0.000 2.859 181 T HA 0.787 5.136 4.350 -0.001 0.000 0.281 181 T C 0.373 175.115 174.700 0.070 0.000 1.005 181 T CA 0.099 62.188 62.100 -0.018 0.000 1.025 181 T CB 1.401 70.296 68.868 0.046 0.000 0.977 181 T HN 1.029 nan 8.240 nan 0.000 0.458 182 R N 1.333 121.857 120.500 0.041 0.000 2.728 182 R HA 0.602 4.941 4.340 -0.001 0.000 0.274 182 R C -1.928 174.415 176.300 0.072 0.000 1.030 182 R CA -0.979 55.162 56.100 0.069 0.000 0.876 182 R CB 0.903 31.221 30.300 0.030 0.000 1.259 182 R HN 0.489 nan 8.270 nan 0.000 0.468 183 I N 1.512 122.151 120.570 0.116 0.000 2.339 183 I HA 0.283 4.452 4.170 -0.001 0.000 0.290 183 I C 0.140 176.362 176.117 0.175 0.000 0.994 183 I CA -0.627 60.786 61.300 0.188 0.000 1.191 183 I CB 1.986 40.151 38.000 0.277 0.000 1.343 183 I HN 0.694 nan 8.210 nan 0.000 0.458 184 T N 3.895 118.525 114.554 0.128 0.000 2.889 184 T HA 0.601 4.951 4.350 -0.001 0.000 0.278 184 T C 0.339 175.204 174.700 0.276 0.000 0.995 184 T CA -0.355 61.767 62.100 0.038 0.000 0.966 184 T CB 1.483 70.331 68.868 -0.032 0.000 1.237 184 T HN 0.695 nan 8.240 nan 0.000 0.591 185 G N 0.410 109.354 108.800 0.239 0.000 2.562 185 G HA2 0.505 4.464 3.960 -0.001 0.000 0.275 185 G HA3 0.505 4.464 3.960 -0.001 0.000 0.275 185 G C -0.786 174.272 174.900 0.263 0.000 1.196 185 G CA -0.293 45.011 45.100 0.340 0.000 0.908 185 G HN 0.697 nan 8.290 nan 0.000 0.524 186 S N -2.236 113.609 115.700 0.241 0.000 2.564 186 S HA 0.508 4.978 4.470 -0.001 0.000 0.274 186 S C 0.894 175.627 174.600 0.222 0.000 1.124 186 S CA 0.095 58.431 58.200 0.226 0.000 0.869 186 S CB 1.523 64.885 63.200 0.269 0.000 1.105 186 S HN 0.933 nan 8.310 nan 0.000 0.472 187 T N 0.766 115.378 114.554 0.096 0.000 3.129 187 T HA 0.340 4.689 4.350 -0.001 0.000 0.251 187 T C 0.137 174.883 174.700 0.077 0.000 1.117 187 T CA 0.128 62.282 62.100 0.090 0.000 1.034 187 T CB -0.679 68.170 68.868 -0.031 0.000 0.968 187 T HN 0.412 nan 8.240 nan 0.000 0.526 188 F N 3.362 123.422 119.950 0.183 0.000 2.408 188 F HA 0.435 4.961 4.527 -0.001 0.000 0.344 188 F C 0.721 176.474 175.800 -0.078 0.000 1.112 188 F CA -1.510 56.527 58.000 0.061 0.000 1.096 188 F CB 0.934 39.953 39.000 0.032 0.000 1.129 188 F HN 0.139 nan 8.300 nan 0.000 0.486 189 D N 0.867 121.187 120.400 -0.133 0.000 2.451 189 D HA 0.083 4.723 4.640 -0.001 0.000 0.259 189 D C 0.295 176.496 176.300 -0.166 0.000 1.201 189 D CA -0.576 53.082 54.000 -0.571 0.000 1.028 189 D CB 0.324 40.528 40.800 -0.993 0.000 1.095 189 D HN 0.390 nan 8.370 nan 0.000 0.539 190 N N -1.160 117.453 118.700 -0.145 0.000 2.585 190 N HA -0.066 4.673 4.740 -0.001 0.000 0.188 190 N C 0.593 176.077 175.510 -0.043 0.000 1.102 190 N CA 0.714 53.732 53.050 -0.053 0.000 0.920 190 N CB -0.046 38.421 38.487 -0.033 0.000 0.963 190 N HN 0.380 nan 8.380 nan 0.000 0.447 191 K N -0.949 119.419 120.400 -0.052 0.000 2.358 191 K HA 0.240 4.559 4.320 -0.001 0.000 0.200 191 K C 0.706 177.285 176.600 -0.035 0.000 1.030 191 K CA 0.265 56.531 56.287 -0.035 0.000 1.097 191 K CB 0.812 33.297 32.500 -0.025 0.000 0.862 191 K HN 0.160 nan 8.250 nan 0.000 0.534 192 G N 1.564 110.343 108.800 -0.035 0.000 2.157 192 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.248 192 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.248 192 G C 0.174 175.085 174.900 0.018 0.000 0.979 192 G CA 0.173 45.242 45.100 -0.052 0.000 0.650 192 G HN 0.257 nan 8.290 nan 0.000 0.529 193 T N 1.342 115.912 114.554 0.027 0.000 2.814 193 T HA 0.418 4.767 4.350 -0.001 0.000 0.297 193 T C 0.670 175.404 174.700 0.057 0.000 0.956 193 T CA -0.114 61.988 62.100 0.003 0.000 1.123 193 T CB 1.283 70.102 68.868 -0.082 0.000 0.902 193 T HN 0.483 nan 8.240 nan 0.000 0.528 194 R N 2.978 123.551 120.500 0.121 0.000 2.340 194 R HA 0.164 4.503 4.340 -0.001 0.000 0.300 194 R C -0.527 175.716 176.300 -0.095 0.000 1.069 194 R CA -0.374 55.797 56.100 0.119 0.000 0.984 194 R CB 0.348 30.761 30.300 0.188 0.000 1.003 194 R HN 0.692 nan 8.270 nan 0.000 0.459 195 H N 1.440 120.572 119.070 0.104 0.000 2.569 195 H HA 0.677 5.232 4.556 -0.001 0.000 0.357 195 H C -0.622 174.741 175.328 0.058 0.000 1.153 195 H CA -0.399 55.706 56.048 0.095 0.000 1.193 195 H CB 2.171 32.002 29.762 0.116 0.000 1.602 195 H HN 0.791 nan 8.280 nan 0.000 0.523 196 A N 0.618 123.535 122.820 0.162 0.000 2.534 196 A HA 0.593 4.913 4.320 -0.001 0.000 0.300 196 A C 0.732 178.358 177.584 0.070 0.000 1.223 196 A CA 0.049 52.156 52.037 0.115 0.000 0.666 196 A CB 0.146 19.231 19.000 0.142 0.000 1.316 196 A HN 0.643 nan 8.150 nan 0.000 0.468 197 A N 0.103 122.966 122.820 0.072 0.000 1.978 197 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 197 A C 1.535 179.119 177.584 -0.001 0.000 1.170 197 A CA 2.383 54.451 52.037 0.051 0.000 0.636 197 A CB -0.926 18.115 19.000 0.068 0.000 0.810 197 A HN 0.944 nan 8.150 nan 0.000 0.448 198 D N 0.104 120.502 120.400 -0.003 0.000 2.182 198 D HA -0.222 4.417 4.640 -0.001 0.000 0.201 198 D C 1.402 177.575 176.300 -0.211 0.000 0.986 198 D CA 1.548 55.464 54.000 -0.140 0.000 0.847 198 D CB -0.724 40.074 40.800 -0.003 0.000 0.942 198 D HN 0.644 nan 8.370 nan 0.000 0.467 199 E N 0.051 120.199 120.200 -0.086 0.000 2.338 199 E HA -0.002 4.348 4.350 -0.001 0.000 0.197 199 E C 2.203 178.748 176.600 -0.092 0.000 1.007 199 E CA 0.109 56.450 56.400 -0.098 0.000 0.849 199 E CB -0.051 29.514 29.700 -0.225 0.000 0.774 199 E HN 0.376 nan 8.360 nan 0.000 0.506 200 L N 0.517 121.687 121.223 -0.088 0.000 2.465 200 L HA -0.099 4.240 4.340 -0.001 0.000 0.224 200 L C 2.000 178.885 176.870 0.025 0.000 1.145 200 L CA 0.341 55.132 54.840 -0.082 0.000 0.834 200 L CB -0.181 41.897 42.059 0.032 0.000 0.944 200 L HN 0.203 nan 8.230 nan 0.000 0.451 201 L N -0.321 120.903 121.223 0.001 0.000 2.201 201 L HA -0.152 4.187 4.340 -0.001 0.000 0.212 201 L C 2.019 179.044 176.870 0.259 0.000 1.105 201 L CA 0.657 55.556 54.840 0.098 0.000 0.775 201 L CB -0.514 41.504 42.059 -0.068 0.000 0.913 201 L HN 0.380 nan 8.230 nan 0.000 0.440 202 N N 0.137 118.950 118.700 0.187 0.000 2.453 202 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 202 N C 1.412 176.998 175.510 0.128 0.000 1.041 202 N CA 0.808 53.981 53.050 0.205 0.000 0.900 202 N CB 0.019 38.569 38.487 0.107 0.000 0.961 202 N HN 0.329 nan 8.380 nan 0.000 0.443 203 K N 0.537 120.983 120.400 0.078 0.000 2.459 203 K HA 0.107 4.426 4.320 -0.001 0.000 0.193 203 K C 1.202 177.913 176.600 0.184 0.000 1.030 203 K CA -0.054 56.285 56.287 0.088 0.000 1.026 203 K CB 0.034 32.546 32.500 0.021 0.000 0.809 203 K HN 0.079 nan 8.250 nan 0.000 0.504 204 G N 1.326 110.224 108.800 0.164 0.000 2.588 204 G HA2 0.016 3.975 3.960 -0.001 0.000 0.281 204 G HA3 0.016 3.975 3.960 -0.001 0.000 0.281 204 G C -0.381 174.539 174.900 0.032 0.000 1.236 204 G CA -0.481 44.671 45.100 0.086 0.000 0.969 204 G HN 0.085 nan 8.290 nan 0.000 0.504 205 N N -0.366 118.310 118.700 -0.039 0.000 2.408 205 N HA 0.035 4.775 4.740 -0.001 0.000 0.257 205 N C 1.606 177.030 175.510 -0.143 0.000 1.064 205 N CA 0.163 53.186 53.050 -0.045 0.000 0.952 205 N CB 1.381 39.846 38.487 -0.037 0.000 1.093 205 N HN 0.356 nan 8.380 nan 0.000 0.490 206 S N 2.302 117.971 115.700 -0.051 0.000 2.537 206 S HA -0.097 4.373 4.470 -0.001 0.000 0.240 206 S C 1.148 175.735 174.600 -0.021 0.000 0.981 206 S CA 0.590 58.768 58.200 -0.037 0.000 0.948 206 S CB -0.157 63.196 63.200 0.255 0.000 0.759 206 S HN 0.744 nan 8.310 nan 0.000 0.531 207 N N 0.575 119.262 118.700 -0.022 0.000 2.282 207 N HA 0.112 4.851 4.740 -0.001 0.000 0.185 207 N C 0.366 175.875 175.510 -0.003 0.000 1.099 207 N CA 0.195 53.255 53.050 0.015 0.000 0.878 207 N CB 0.130 38.632 38.487 0.025 0.000 0.993 207 N HN 0.325 nan 8.380 nan 0.000 0.481 208 N N 0.253 118.921 118.700 -0.052 0.000 2.257 208 N HA 0.086 4.825 4.740 -0.001 0.000 0.200 208 N C -0.499 174.986 175.510 -0.042 0.000 1.163 208 N CA -0.103 52.937 53.050 -0.016 0.000 0.891 208 N CB 0.936 39.420 38.487 -0.005 0.000 1.067 208 N HN 0.131 nan 8.380 nan 0.000 0.497 209 L N 1.571 122.659 121.223 -0.225 0.000 2.295 209 L HA 0.448 4.787 4.340 -0.001 0.000 0.285 209 L C -0.581 176.125 176.870 -0.272 0.000 1.035 209 L CA -0.339 54.314 54.840 -0.312 0.000 0.806 209 L CB 0.844 42.575 42.059 -0.547 0.000 1.214 209 L HN -0.103 nan 8.230 nan 0.000 0.426 210 R N 3.762 124.262 120.500 0.000 0.000 2.561 210 R HA 0.751 5.090 4.340 -0.001 0.000 0.297 210 R C -1.569 174.852 176.300 0.201 0.000 0.969 210 R CA -0.865 55.372 56.100 0.229 0.000 0.879 210 R CB 2.359 32.776 30.300 0.195 0.000 1.178 210 R HN 0.439 nan 8.270 nan 0.000 0.445 211 V N 1.570 121.708 119.914 0.374 0.000 2.495 211 V HA 0.619 4.739 4.120 -0.001 0.000 0.298 211 V C 0.201 176.406 176.094 0.185 0.000 1.031 211 V CA -0.771 61.659 62.300 0.216 0.000 0.871 211 V CB 1.979 33.947 31.823 0.243 0.000 0.988 211 V HN 0.940 nan 8.190 nan 0.000 0.432 212 G N 3.215 112.031 108.800 0.027 0.000 2.417 212 G HA2 0.663 4.623 3.960 -0.001 0.000 0.320 212 G HA3 0.663 4.623 3.960 -0.001 0.000 0.320 212 G C -0.639 174.231 174.900 -0.050 0.000 1.204 212 G CA -0.475 44.620 45.100 -0.009 0.000 0.923 212 G HN 0.866 nan 8.290 nan 0.000 0.466 213 V N -0.183 119.707 119.914 -0.040 0.000 2.975 213 V HA 0.644 4.763 4.120 -0.001 0.000 0.318 213 V C 0.609 176.669 176.094 -0.058 0.000 1.077 213 V CA -0.954 61.274 62.300 -0.121 0.000 1.000 213 V CB 0.892 32.559 31.823 -0.260 0.000 1.066 213 V HN 1.036 nan 8.190 nan 0.000 0.452 214 H N -0.431 118.662 119.070 0.038 0.000 2.791 214 H HA -0.097 4.458 4.556 -0.001 0.000 0.302 214 H C 0.328 175.679 175.328 0.038 0.000 1.198 214 H CA 0.401 56.476 56.048 0.045 0.000 1.145 214 H CB -1.051 28.745 29.762 0.056 0.000 1.385 214 H HN 1.253 nan 8.280 nan 0.000 0.409 215 A N 1.380 124.259 122.820 0.098 0.000 2.293 215 A HA 0.506 4.826 4.320 -0.001 0.000 0.312 215 A C 0.185 177.805 177.584 0.060 0.000 1.309 215 A CA -0.081 51.988 52.037 0.053 0.000 0.839 215 A CB 1.240 20.134 19.000 -0.176 0.000 1.155 215 A HN 0.264 nan 8.150 nan 0.000 0.501 216 S N 2.782 118.554 115.700 0.120 0.000 2.399 216 S HA 0.388 4.857 4.470 -0.001 0.000 0.301 216 S C -0.108 174.561 174.600 0.115 0.000 1.093 216 S CA -0.354 57.902 58.200 0.093 0.000 1.077 216 S CB -0.222 63.028 63.200 0.082 0.000 0.980 216 S HN 0.600 nan 8.310 nan 0.000 0.494 217 V N 6.709 126.668 119.914 0.074 0.000 2.439 217 V HA 0.172 4.291 4.120 -0.001 0.000 0.271 217 V C 0.986 177.112 176.094 0.052 0.000 1.040 217 V CA 0.224 62.571 62.300 0.077 0.000 1.002 217 V CB 0.713 32.548 31.823 0.019 0.000 1.000 217 V HN 0.938 nan 8.190 nan 0.000 0.477 218 E N 3.514 123.747 120.200 0.055 0.000 2.340 218 E HA 0.193 4.542 4.350 -0.001 0.000 0.198 218 E C 0.526 177.143 176.600 0.027 0.000 0.961 218 E CA 0.110 56.532 56.400 0.036 0.000 0.905 218 E CB 0.862 30.583 29.700 0.034 0.000 0.884 218 E HN 0.602 nan 8.360 nan 0.000 0.491 219 K N 0.819 121.228 120.400 0.016 0.000 2.578 219 K HA 0.332 4.651 4.320 -0.001 0.000 0.269 219 K C -1.729 174.845 176.600 -0.043 0.000 0.941 219 K CA -0.484 55.810 56.287 0.011 0.000 0.847 219 K CB 1.633 34.147 32.500 0.024 0.000 1.397 219 K HN -0.123 nan 8.250 nan 0.000 0.422 220 I N 4.513 125.044 120.570 -0.065 0.000 2.396 220 I HA 0.311 4.480 4.170 -0.001 0.000 0.292 220 I C 0.077 175.957 176.117 -0.395 0.000 0.999 220 I CA -0.781 60.358 61.300 -0.269 0.000 1.310 220 I CB 1.103 38.890 38.000 -0.355 0.000 1.404 220 I HN 0.414 nan 8.210 nan 0.000 0.496 221 I N 5.679 125.980 120.570 -0.448 0.000 2.385 221 I HA 0.374 4.543 4.170 -0.001 0.000 0.294 221 I C -0.597 175.238 176.117 -0.470 0.000 0.988 221 I CA -0.223 60.908 61.300 -0.283 0.000 1.265 221 I CB 0.858 38.784 38.000 -0.124 0.000 1.388 221 I HN 0.345 nan 8.210 nan 0.000 0.480 222 F N 2.771 122.756 119.950 0.058 0.000 2.631 222 F HA 0.711 5.237 4.527 -0.001 0.000 0.328 222 F C 0.239 176.076 175.800 0.061 0.000 1.067 222 F CA -0.473 57.561 58.000 0.056 0.000 0.969 222 F CB 2.109 41.134 39.000 0.042 0.000 1.332 222 F HN 0.494 nan 8.300 nan 0.000 0.490 223 S N -0.437 115.428 115.700 0.274 0.000 2.595 223 S HA 0.465 4.934 4.470 -0.001 0.000 0.270 223 S C -1.947 172.729 174.600 0.125 0.000 1.145 223 S CA -1.250 57.045 58.200 0.157 0.000 0.825 223 S CB 1.335 64.602 63.200 0.111 0.000 1.107 223 S HN 0.619 nan 8.310 nan 0.000 0.461 224 N N 0.720 119.467 118.700 0.079 0.000 2.546 224 N HA 0.606 5.345 4.740 -0.001 0.000 0.238 224 N C -0.691 174.844 175.510 0.042 0.000 0.984 224 N CA -0.469 52.614 53.050 0.055 0.000 0.935 224 N CB 1.549 40.058 38.487 0.036 0.000 1.122 224 N HN 0.850 nan 8.380 nan 0.000 0.510 225 A N 2.660 125.505 122.820 0.042 0.000 3.253 225 A HA 0.276 4.596 4.320 -0.001 0.000 0.290 225 A C -1.159 176.436 177.584 0.019 0.000 0.950 225 A CA -0.745 51.308 52.037 0.027 0.000 0.986 225 A CB -0.005 19.011 19.000 0.026 0.000 1.104 225 A HN 0.575 nan 8.150 nan 0.000 0.481 226 P HA 0.118 nan 4.420 nan 0.000 0.226 226 P C 0.880 178.193 177.300 0.022 0.000 1.161 226 P CA 0.709 63.819 63.100 0.017 0.000 0.804 226 P CB 0.276 31.982 31.700 0.010 0.000 0.829 227 G N 1.256 110.072 108.800 0.025 0.000 2.562 227 G HA2 0.360 4.320 3.960 -0.001 0.000 0.275 227 G HA3 0.360 4.320 3.960 -0.001 0.000 0.275 227 G C -0.645 174.283 174.900 0.046 0.000 1.196 227 G CA -0.567 44.550 45.100 0.028 0.000 0.908 227 G HN 0.192 nan 8.290 nan 0.000 0.524 228 L N 0.824 122.073 121.223 0.043 0.000 2.584 228 L HA 0.339 4.678 4.340 -0.001 0.000 0.272 228 L C 0.199 177.142 176.870 0.122 0.000 1.195 228 L CA 0.710 55.590 54.840 0.066 0.000 0.920 228 L CB -0.200 41.866 42.059 0.012 0.000 1.173 228 L HN 0.411 nan 8.230 nan 0.000 0.489 229 T N 4.592 119.261 114.554 0.191 0.000 2.933 229 T HA 0.707 5.056 4.350 -0.001 0.000 0.305 229 T C -0.557 174.303 174.700 0.266 0.000 1.092 229 T CA -0.202 62.015 62.100 0.196 0.000 1.008 229 T CB 1.567 70.499 68.868 0.107 0.000 1.102 229 T HN 0.834 nan 8.240 nan 0.000 0.469 230 A N 1.602 124.529 122.820 0.178 0.000 2.409 230 A HA 0.546 4.865 4.320 -0.001 0.000 0.262 230 A C 1.301 178.850 177.584 -0.059 0.000 1.113 230 A CA -0.083 51.898 52.037 -0.093 0.000 0.790 230 A CB -0.004 18.911 19.000 -0.142 0.000 1.046 230 A HN 0.994 nan 8.150 nan 0.000 0.496 231 T N -0.410 114.096 114.554 -0.080 0.000 2.985 231 T HA 0.544 4.894 4.350 -0.001 0.000 0.254 231 T C 0.785 175.536 174.700 0.084 0.000 1.021 231 T CA 0.721 62.861 62.100 0.066 0.000 0.957 231 T CB 0.110 69.088 68.868 0.183 0.000 1.047 231 T HN 1.957 nan 8.240 nan 0.000 0.511 232 G N 0.779 109.503 108.800 -0.127 0.000 2.336 232 G HA2 0.463 4.422 3.960 -0.001 0.000 0.286 232 G HA3 0.463 4.422 3.960 -0.001 0.000 0.286 232 G C -1.667 173.046 174.900 -0.312 0.000 1.269 232 G CA -0.109 44.833 45.100 -0.264 0.000 0.873 232 G HN 1.114 nan 8.290 nan 0.000 0.494 233 V N -2.397 117.327 119.914 -0.318 0.000 3.159 233 V HA 0.870 4.989 4.120 -0.001 0.000 0.308 233 V C -0.803 175.206 176.094 -0.142 0.000 1.190 233 V CA -1.219 60.967 62.300 -0.190 0.000 1.037 233 V CB 1.828 33.598 31.823 -0.090 0.000 1.060 233 V HN 0.919 nan 8.190 nan 0.000 0.437 234 I N 3.369 123.899 120.570 -0.067 0.000 2.378 234 I HA 0.657 4.827 4.170 -0.001 0.000 0.291 234 I C -0.831 175.325 176.117 0.066 0.000 0.992 234 I CA -0.628 60.641 61.300 -0.052 0.000 1.154 234 I CB 1.640 39.606 38.000 -0.056 0.000 1.315 234 I HN 0.931 nan 8.210 nan 0.000 0.448 235 Y N 4.245 124.534 120.300 -0.017 0.000 2.576 235 Y HA 0.782 5.331 4.550 -0.001 0.000 0.346 235 Y C -0.883 175.042 175.900 0.041 0.000 1.018 235 Y CA -1.319 56.775 58.100 -0.010 0.000 1.050 235 Y CB 1.248 39.679 38.460 -0.049 0.000 1.280 235 Y HN 0.436 nan 8.280 nan 0.000 0.474 236 R N 1.627 122.225 120.500 0.163 0.000 2.740 236 R HA 0.379 4.719 4.340 -0.001 0.000 0.282 236 R C -1.377 175.015 176.300 0.154 0.000 0.969 236 R CA -0.701 55.466 56.100 0.112 0.000 0.918 236 R CB 1.393 31.739 30.300 0.077 0.000 1.175 236 R HN 1.005 nan 8.270 nan 0.000 0.464 237 D N 0.575 121.063 120.400 0.146 0.000 2.478 237 D HA 0.064 4.703 4.640 -0.001 0.000 0.263 237 D C 0.701 177.062 176.300 0.103 0.000 1.153 237 D CA -0.521 53.560 54.000 0.136 0.000 1.038 237 D CB 0.885 41.782 40.800 0.160 0.000 1.120 237 D HN 0.417 nan 8.370 nan 0.000 0.564 238 S N -0.837 114.912 115.700 0.082 0.000 2.500 238 S HA -0.152 4.317 4.470 -0.001 0.000 0.239 238 S C 0.947 175.567 174.600 0.035 0.000 0.989 238 S CA 0.390 58.608 58.200 0.030 0.000 0.951 238 S CB -0.573 62.612 63.200 -0.025 0.000 0.759 238 S HN 0.461 nan 8.310 nan 0.000 0.523 239 N N 1.203 119.939 118.700 0.061 0.000 2.353 239 N HA 0.185 4.925 4.740 -0.001 0.000 0.185 239 N C 1.331 176.867 175.510 0.043 0.000 1.098 239 N CA 0.823 53.902 53.050 0.049 0.000 0.872 239 N CB 0.374 38.897 38.487 0.060 0.000 0.970 239 N HN 0.673 nan 8.380 nan 0.000 0.467 240 G N 0.156 108.988 108.800 0.054 0.000 2.175 240 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.244 240 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.244 240 G C 0.068 174.994 174.900 0.042 0.000 0.982 240 G CA 0.276 45.401 45.100 0.042 0.000 0.641 240 G HN 0.294 nan 8.290 nan 0.000 0.527 241 T N 4.104 118.697 114.554 0.064 0.000 2.794 241 T HA 0.511 4.860 4.350 -0.001 0.000 0.296 241 T C -2.029 172.713 174.700 0.069 0.000 0.949 241 T CA -0.374 61.746 62.100 0.035 0.000 1.101 241 T CB 2.117 70.996 68.868 0.019 0.000 0.905 241 T HN 0.267 nan 8.240 nan 0.000 0.516 242 P HA 0.418 nan 4.420 nan 0.000 0.290 242 P C -1.006 176.193 177.300 -0.168 0.000 1.276 242 P CA -0.561 62.514 63.100 -0.041 0.000 0.808 242 P CB 0.965 32.631 31.700 -0.057 0.000 0.966 243 H N 0.053 118.806 119.070 -0.528 0.000 2.797 243 H HA 0.553 5.108 4.556 -0.001 0.000 0.362 243 H C -0.031 174.939 175.328 -0.597 0.000 1.183 243 H CA -0.475 55.193 56.048 -0.633 0.000 1.197 243 H CB 1.489 30.589 29.762 -1.104 0.000 1.835 243 H HN 0.327 nan 8.280 nan 0.000 0.567 244 Q N 0.138 119.833 119.800 -0.174 0.000 2.331 244 Q HA 0.763 5.103 4.340 -0.001 0.000 0.272 244 Q C -1.420 174.573 176.000 -0.013 0.000 1.062 244 Q CA -1.221 54.482 55.803 -0.167 0.000 0.806 244 Q CB 3.253 31.900 28.738 -0.151 0.000 1.312 244 Q HN 0.717 nan 8.270 nan 0.000 0.431 245 A N 2.619 125.374 122.820 -0.108 0.000 2.335 245 A HA 0.776 5.095 4.320 -0.001 0.000 0.304 245 A C -1.458 176.019 177.584 -0.178 0.000 1.118 245 A CA -0.387 51.702 52.037 0.087 0.000 0.757 245 A CB 0.468 19.573 19.000 0.176 0.000 1.188 245 A HN 0.580 nan 8.150 nan 0.000 0.460 246 F N 1.259 121.304 119.950 0.159 0.000 2.523 246 F HA 0.636 5.163 4.527 -0.001 0.000 0.329 246 F C 0.545 176.391 175.800 0.077 0.000 1.061 246 F CA -0.706 57.339 58.000 0.074 0.000 0.967 246 F CB 2.188 41.206 39.000 0.030 0.000 1.218 246 F HN 0.496 nan 8.300 nan 0.000 0.480 247 V N -0.262 119.775 119.914 0.205 0.000 2.667 247 V HA 0.680 4.800 4.120 -0.001 0.000 0.308 247 V C -0.203 175.902 176.094 0.019 0.000 1.048 247 V CA -1.165 61.172 62.300 0.062 0.000 0.928 247 V CB 1.528 33.322 31.823 -0.049 0.000 1.004 247 V HN 0.759 nan 8.190 nan 0.000 0.444 248 R N 1.525 121.996 120.500 -0.048 0.000 2.531 248 R HA 0.487 4.827 4.340 -0.001 0.000 0.260 248 R C 0.527 176.768 176.300 -0.098 0.000 1.144 248 R CA -0.414 55.649 56.100 -0.061 0.000 1.171 248 R CB 0.741 31.006 30.300 -0.057 0.000 1.199 248 R HN 0.875 nan 8.270 nan 0.000 0.594 249 S N 0.597 116.253 115.700 -0.075 0.000 2.642 249 S HA -0.090 4.379 4.470 -0.001 0.000 0.308 249 S C 0.252 174.782 174.600 -0.117 0.000 1.255 249 S CA 0.843 58.999 58.200 -0.074 0.000 1.057 249 S CB -0.024 63.147 63.200 -0.047 0.000 0.785 249 S HN 0.650 nan 8.310 nan 0.000 0.500 250 K N 0.794 121.128 120.400 -0.110 0.000 3.584 250 K HA -0.168 4.151 4.320 -0.001 0.000 0.300 250 K C 0.713 177.165 176.600 -0.246 0.000 1.285 250 K CA 1.067 57.274 56.287 -0.135 0.000 1.008 250 K CB -2.093 30.334 32.500 -0.121 0.000 1.271 250 K HN 0.779 nan 8.250 nan 0.000 0.447 251 G N 0.951 109.546 108.800 -0.342 0.000 2.580 251 G HA2 0.451 4.410 3.960 -0.001 0.000 0.278 251 G HA3 0.451 4.410 3.960 -0.001 0.000 0.278 251 G C -0.445 174.233 174.900 -0.370 0.000 1.212 251 G CA -0.293 44.422 45.100 -0.642 0.000 0.939 251 G HN 0.207 nan 8.290 nan 0.000 0.513 252 E N -1.632 118.349 120.200 -0.366 0.000 2.413 252 E HA 0.419 4.768 4.350 -0.001 0.000 0.277 252 E C -1.461 175.169 176.600 0.050 0.000 0.958 252 E CA -0.849 55.539 56.400 -0.020 0.000 0.779 252 E CB 2.648 32.433 29.700 0.142 0.000 1.278 252 E HN 0.230 nan 8.360 nan 0.000 0.456 253 V N 2.454 122.383 119.914 0.025 0.000 2.394 253 V HA 0.419 4.538 4.120 -0.001 0.000 0.282 253 V C -0.366 175.743 176.094 0.025 0.000 1.031 253 V CA -0.374 61.928 62.300 0.003 0.000 0.881 253 V CB 0.806 32.592 31.823 -0.061 0.000 0.982 253 V HN 0.469 nan 8.190 nan 0.000 0.451 254 I N 5.173 125.755 120.570 0.021 0.000 2.436 254 I HA 0.421 4.591 4.170 -0.001 0.000 0.289 254 I C -0.540 175.568 176.117 -0.015 0.000 1.010 254 I CA -0.841 60.464 61.300 0.008 0.000 1.098 254 I CB 2.135 40.132 38.000 -0.004 0.000 1.266 254 I HN 0.246 nan 8.210 nan 0.000 0.434 255 V N 4.944 124.852 119.914 -0.011 0.000 2.406 255 V HA 0.257 4.376 4.120 -0.001 0.000 0.272 255 V C 0.479 176.561 176.094 -0.021 0.000 1.043 255 V CA -0.059 62.232 62.300 -0.016 0.000 0.915 255 V CB 1.167 32.987 31.823 -0.005 0.000 0.988 255 V HN 0.839 nan 8.190 nan 0.000 0.466 256 S N 3.039 118.723 115.700 -0.027 0.000 2.740 256 S HA 0.308 4.777 4.470 -0.001 0.000 0.244 256 S C 1.175 175.766 174.600 -0.016 0.000 1.101 256 S CA 0.277 58.459 58.200 -0.030 0.000 1.123 256 S CB 1.031 64.208 63.200 -0.039 0.000 1.012 256 S HN 0.895 nan 8.310 nan 0.000 0.491 257 A N 1.339 124.154 122.820 -0.008 0.000 2.259 257 A HA 0.617 4.937 4.320 -0.001 0.000 0.208 257 A C 1.253 178.851 177.584 0.023 0.000 1.201 257 A CA 0.389 52.428 52.037 0.005 0.000 0.824 257 A CB -0.703 18.298 19.000 0.002 0.000 0.838 257 A HN 1.062 nan 8.150 nan 0.000 0.485 258 G N -2.075 106.737 108.800 0.019 0.000 2.746 258 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.685 258 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.685 258 G C 0.527 175.469 174.900 0.071 0.000 1.350 258 G CA -0.177 44.952 45.100 0.048 0.000 0.837 258 G HN 0.423 nan 8.290 nan 0.000 0.564 259 T N 0.346 114.984 114.554 0.140 0.000 2.737 259 T HA -0.150 4.199 4.350 -0.001 0.000 0.269 259 T C 2.401 177.170 174.700 0.114 0.000 1.040 259 T CA 1.911 64.121 62.100 0.184 0.000 1.142 259 T CB -0.149 68.954 68.868 0.393 0.000 0.861 259 T HN 0.442 nan 8.240 nan 0.000 0.456 260 I N 0.645 121.260 120.570 0.076 0.000 2.429 260 I HA 0.128 4.297 4.170 -0.001 0.000 0.247 260 I C 2.902 178.993 176.117 -0.043 0.000 1.099 260 I CA 1.083 62.349 61.300 -0.056 0.000 1.422 260 I CB -1.739 36.141 38.000 -0.200 0.000 1.112 260 I HN 0.285 nan 8.210 nan 0.000 0.430 261 G N 0.438 109.233 108.800 -0.008 0.000 2.421 261 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 261 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 261 G C 1.676 176.576 174.900 -0.000 0.000 1.143 261 G CA 1.150 46.246 45.100 -0.006 0.000 0.784 261 G HN 0.284 nan 8.290 nan 0.000 0.541 262 T N 1.869 116.428 114.554 0.007 0.000 2.701 262 T HA -0.045 4.304 4.350 -0.001 0.000 0.263 262 T C 0.192 174.895 174.700 0.004 0.000 1.040 262 T CA 1.472 63.575 62.100 0.006 0.000 1.147 262 T CB -0.786 68.086 68.868 0.007 0.000 0.865 262 T HN 0.217 nan 8.240 nan 0.000 0.426 263 P HA -0.088 nan 4.420 nan 0.000 0.217 263 P C 1.609 178.907 177.300 -0.003 0.000 1.150 263 P CA 1.037 64.132 63.100 -0.007 0.000 0.832 263 P CB -0.070 31.619 31.700 -0.017 0.000 0.787 264 Q N -0.448 119.347 119.800 -0.009 0.000 2.061 264 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 264 Q C 1.986 177.998 176.000 0.021 0.000 0.984 264 Q CA 1.408 57.211 55.803 0.000 0.000 0.846 264 Q CB -0.728 27.999 28.738 -0.017 0.000 0.902 264 Q HN 0.100 nan 8.270 nan 0.000 0.421 265 L N 0.597 121.831 121.223 0.019 0.000 2.056 265 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 265 L C 2.085 178.986 176.870 0.052 0.000 1.078 265 L CA 1.475 56.334 54.840 0.030 0.000 0.749 265 L CB -0.445 41.626 42.059 0.020 0.000 0.901 265 L HN 0.313 nan 8.230 nan 0.000 0.433 266 L N -1.349 119.902 121.223 0.047 0.000 2.017 266 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 266 L C 2.524 179.439 176.870 0.075 0.000 1.073 266 L CA 1.418 56.297 54.840 0.065 0.000 0.745 266 L CB -0.592 41.481 42.059 0.024 0.000 0.894 266 L HN 0.298 nan 8.230 nan 0.000 0.432 267 L N -0.559 120.703 121.223 0.065 0.000 2.017 267 L HA -0.256 4.083 4.340 -0.001 0.000 0.208 267 L C 2.503 179.426 176.870 0.089 0.000 1.073 267 L CA 1.289 56.186 54.840 0.096 0.000 0.745 267 L CB -0.512 41.623 42.059 0.127 0.000 0.894 267 L HN 0.267 nan 8.230 nan 0.000 0.432 268 L N -0.876 120.391 121.223 0.074 0.000 2.265 268 L HA -0.163 4.177 4.340 -0.001 0.000 0.215 268 L C 2.103 179.019 176.870 0.076 0.000 1.117 268 L CA 0.764 55.641 54.840 0.061 0.000 0.782 268 L CB -0.280 41.807 42.059 0.047 0.000 0.914 268 L HN 0.187 nan 8.230 nan 0.000 0.441 269 S N -0.698 115.067 115.700 0.109 0.000 2.575 269 S HA 0.222 4.691 4.470 -0.001 0.000 0.215 269 S C 1.327 176.030 174.600 0.172 0.000 0.966 269 S CA 0.575 58.883 58.200 0.181 0.000 0.911 269 S CB 0.639 63.998 63.200 0.265 0.000 0.780 269 S HN 0.612 nan 8.310 nan 0.000 0.514 270 G N 1.003 109.855 108.800 0.087 0.000 2.132 270 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.234 270 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.234 270 G C -0.061 174.834 174.900 -0.010 0.000 0.989 270 G CA -0.067 45.049 45.100 0.027 0.000 0.676 270 G HN 0.423 nan 8.290 nan 0.000 0.522 271 V N 0.649 120.580 119.914 0.028 0.000 2.293 271 V HA 0.842 4.961 4.120 -0.001 0.000 0.275 271 V C 0.772 176.900 176.094 0.058 0.000 1.021 271 V CA 0.547 62.861 62.300 0.024 0.000 0.815 271 V CB 0.682 32.514 31.823 0.015 0.000 1.025 271 V HN 1.486 nan 8.190 nan 0.000 0.448 272 G N 5.856 114.708 108.800 0.086 0.000 2.325 272 G HA2 0.377 4.337 3.960 -0.001 0.000 0.295 272 G HA3 0.377 4.337 3.960 -0.001 0.000 0.295 272 G C -3.487 171.453 174.900 0.066 0.000 1.274 272 G CA -0.871 44.279 45.100 0.085 0.000 0.857 272 G HN 0.355 nan 8.290 nan 0.000 0.499 273 P HA 0.165 nan 4.420 nan 0.000 0.258 273 P C 0.676 178.013 177.300 0.062 0.000 1.187 273 P CA 0.423 63.533 63.100 0.017 0.000 0.767 273 P CB 1.109 32.808 31.700 -0.001 0.000 0.770 274 E N 3.306 123.511 120.200 0.009 0.000 2.049 274 E HA -0.261 4.088 4.350 -0.001 0.000 0.198 274 E C 1.656 178.262 176.600 0.011 0.000 1.007 274 E CA 2.279 58.679 56.400 0.001 0.000 0.809 274 E CB -0.167 29.518 29.700 -0.025 0.000 0.749 274 E HN 0.496 nan 8.360 nan 0.000 0.450 275 S N -0.609 115.102 115.700 0.018 0.000 2.382 275 S HA -0.226 4.244 4.470 -0.001 0.000 0.228 275 S C 2.025 176.649 174.600 0.041 0.000 1.027 275 S CA 1.140 59.351 58.200 0.018 0.000 0.991 275 S CB -0.704 62.506 63.200 0.017 0.000 0.823 275 S HN 0.518 nan 8.310 nan 0.000 0.469 276 Y N 2.569 122.845 120.300 -0.041 0.000 2.133 276 Y HA 0.052 4.601 4.550 -0.001 0.000 0.287 276 Y C 2.040 177.922 175.900 -0.030 0.000 1.134 276 Y CA 1.290 59.368 58.100 -0.037 0.000 1.133 276 Y CB -0.555 37.879 38.460 -0.043 0.000 0.987 276 Y HN 0.188 nan 8.280 nan 0.000 0.502 277 L N -0.855 120.332 121.223 -0.061 0.000 2.012 277 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 277 L C 2.812 179.589 176.870 -0.155 0.000 1.073 277 L CA 1.776 56.531 54.840 -0.140 0.000 0.748 277 L CB -1.009 41.044 42.059 -0.009 0.000 0.891 277 L HN 0.247 nan 8.230 nan 0.000 0.431 278 S N -0.194 115.450 115.700 -0.094 0.000 2.383 278 S HA -0.202 4.267 4.470 -0.001 0.000 0.229 278 S C 2.253 176.792 174.600 -0.103 0.000 1.030 278 S CA 1.648 59.800 58.200 -0.079 0.000 1.002 278 S CB -0.266 62.904 63.200 -0.049 0.000 0.829 278 S HN 0.616 nan 8.310 nan 0.000 0.467 279 S N 0.829 116.449 115.700 -0.133 0.000 2.442 279 S HA 0.038 4.508 4.470 -0.001 0.000 0.236 279 S C 1.497 176.000 174.600 -0.162 0.000 1.007 279 S CA 1.031 59.152 58.200 -0.133 0.000 0.965 279 S CB -0.546 62.574 63.200 -0.133 0.000 0.773 279 S HN 0.597 nan 8.310 nan 0.000 0.504 280 L N 0.749 121.836 121.223 -0.227 0.000 2.667 280 L HA 0.373 4.713 4.340 -0.001 0.000 0.232 280 L C 0.157 176.951 176.870 -0.126 0.000 1.138 280 L CA -0.104 54.617 54.840 -0.199 0.000 0.921 280 L CB -0.792 41.089 42.059 -0.297 0.000 1.180 280 L HN 0.325 nan 8.230 nan 0.000 0.487 281 N N 0.227 118.864 118.700 -0.104 0.000 2.776 281 N HA -0.176 4.563 4.740 -0.001 0.000 0.250 281 N C -0.158 175.318 175.510 -0.057 0.000 1.112 281 N CA 0.089 53.099 53.050 -0.068 0.000 0.733 281 N CB -1.041 37.415 38.487 -0.052 0.000 1.097 281 N HN 0.270 nan 8.380 nan 0.000 0.558 282 I N 1.233 121.760 120.570 -0.071 0.000 2.312 282 I HA 0.253 4.422 4.170 -0.001 0.000 0.291 282 I C -1.978 174.120 176.117 -0.031 0.000 1.031 282 I CA -1.805 59.468 61.300 -0.044 0.000 1.293 282 I CB 0.846 38.817 38.000 -0.048 0.000 1.403 282 I HN -0.228 nan 8.210 nan 0.000 0.484 283 P HA -0.011 nan 4.420 nan 0.000 0.265 283 P C -0.597 176.691 177.300 -0.020 0.000 1.193 283 P CA -0.092 62.999 63.100 -0.015 0.000 0.765 283 P CB 0.412 32.112 31.700 -0.001 0.000 0.823 284 V N 5.133 125.028 119.914 -0.031 0.000 2.408 284 V HA -0.011 4.109 4.120 -0.001 0.000 0.267 284 V C 1.520 177.571 176.094 -0.072 0.000 1.047 284 V CA 0.191 62.466 62.300 -0.042 0.000 0.937 284 V CB 1.006 32.806 31.823 -0.038 0.000 0.999 284 V HN 0.404 nan 8.190 nan 0.000 0.472 285 V N 5.398 125.240 119.914 -0.120 0.000 2.446 285 V HA 0.170 4.290 4.120 -0.001 0.000 0.244 285 V C 0.310 176.280 176.094 -0.206 0.000 1.039 285 V CA 1.055 63.218 62.300 -0.229 0.000 1.045 285 V CB 0.186 31.708 31.823 -0.502 0.000 0.681 285 V HN 0.633 nan 8.190 nan 0.000 0.459 286 L N -0.806 120.328 121.223 -0.148 0.000 2.588 286 L HA 0.448 4.788 4.340 -0.001 0.000 0.263 286 L C -0.382 176.470 176.870 -0.031 0.000 0.935 286 L CA -0.054 54.734 54.840 -0.086 0.000 0.891 286 L CB 1.876 43.898 42.059 -0.062 0.000 1.318 286 L HN -0.045 nan 8.230 nan 0.000 0.409 287 S N 4.058 119.719 115.700 -0.064 0.000 2.498 287 S HA 0.266 4.736 4.470 -0.001 0.000 0.281 287 S C -0.547 173.987 174.600 -0.109 0.000 1.265 287 S CA 0.191 58.353 58.200 -0.064 0.000 1.071 287 S CB -0.238 62.910 63.200 -0.086 0.000 0.894 287 S HN 0.631 nan 8.310 nan 0.000 0.491 288 H N 6.745 125.772 119.070 -0.071 0.000 2.761 288 H HA 0.267 4.822 4.556 -0.001 0.000 0.263 288 H C -1.950 173.299 175.328 -0.131 0.000 1.292 288 H CA -1.538 54.467 56.048 -0.071 0.000 1.540 288 H CB 1.823 31.569 29.762 -0.027 0.000 1.569 288 H HN 0.518 nan 8.280 nan 0.000 0.510 289 P HA -0.179 nan 4.420 nan 0.000 0.218 289 P C 0.658 177.694 177.300 -0.440 0.000 1.146 289 P CA 1.360 64.225 63.100 -0.392 0.000 0.813 289 P CB 0.095 31.412 31.700 -0.638 0.000 0.778 290 Y N -1.000 119.340 120.300 0.067 0.000 2.457 290 Y HA 0.142 4.691 4.550 -0.001 0.000 0.263 290 Y C 1.221 177.114 175.900 -0.012 0.000 1.164 290 Y CA -0.752 57.360 58.100 0.021 0.000 1.274 290 Y CB 0.072 38.628 38.460 0.160 0.000 1.097 290 Y HN -0.325 nan 8.280 nan 0.000 0.523 291 V N 1.230 121.190 119.914 0.077 0.000 2.485 291 V HA 0.181 4.300 4.120 -0.001 0.000 0.287 291 V C 1.184 177.251 176.094 -0.046 0.000 1.022 291 V CA 1.224 63.532 62.300 0.013 0.000 1.067 291 V CB 0.218 32.035 31.823 -0.010 0.000 0.967 291 V HN 0.720 nan 8.190 nan 0.000 0.479 292 G N 3.656 112.432 108.800 -0.041 0.000 2.176 292 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.253 292 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.253 292 G C 0.153 174.979 174.900 -0.123 0.000 0.979 292 G CA -0.136 44.910 45.100 -0.089 0.000 0.641 292 G HN 0.579 nan 8.290 nan 0.000 0.530 293 Q N -1.036 118.685 119.800 -0.132 0.000 2.205 293 Q HA 0.675 5.014 4.340 -0.001 0.000 0.249 293 Q C 0.796 176.647 176.000 -0.248 0.000 0.948 293 Q CA -0.815 54.786 55.803 -0.337 0.000 0.895 293 Q CB 0.374 28.764 28.738 -0.580 0.000 1.249 293 Q HN 0.731 nan 8.270 nan 0.000 0.458 294 F N -0.300 119.617 119.950 -0.055 0.000 2.905 294 F HA -0.255 4.271 4.527 -0.001 0.000 0.311 294 F C -0.171 175.653 175.800 0.040 0.000 1.005 294 F CA -0.413 57.470 58.000 -0.195 0.000 1.029 294 F CB -1.281 37.576 39.000 -0.239 0.000 1.151 294 F HN 0.301 nan 8.300 nan 0.000 0.805 295 L N 3.182 124.503 121.223 0.165 0.000 2.260 295 L HA 0.460 4.800 4.340 -0.001 0.000 0.289 295 L C 0.158 177.181 176.870 0.254 0.000 1.057 295 L CA -0.167 54.817 54.840 0.241 0.000 0.811 295 L CB 0.361 42.513 42.059 0.154 0.000 1.184 295 L HN 0.157 nan 8.230 nan 0.000 0.429 296 H N 3.231 122.360 119.070 0.097 0.000 2.495 296 H HA 0.375 4.930 4.556 -0.001 0.000 0.348 296 H C -1.230 173.919 175.328 -0.299 0.000 1.113 296 H CA -0.785 55.221 56.048 -0.070 0.000 1.195 296 H CB 2.213 31.823 29.762 -0.254 0.000 1.521 296 H HN 0.494 nan 8.280 nan 0.000 0.509 297 D N 2.306 122.554 120.400 -0.252 0.000 2.476 297 D HA 0.125 4.764 4.640 -0.001 0.000 0.251 297 D C -0.905 175.375 176.300 -0.033 0.000 1.291 297 D CA -0.648 53.117 54.000 -0.391 0.000 0.939 297 D CB 0.679 40.682 40.800 -1.328 0.000 1.221 297 D HN 0.419 nan 8.370 nan 0.000 0.567 298 N N 4.506 123.293 118.700 0.145 0.000 2.447 298 N HA 0.181 4.921 4.740 -0.001 0.000 0.263 298 N C -2.243 173.354 175.510 0.145 0.000 1.226 298 N CA -0.489 52.656 53.050 0.159 0.000 0.906 298 N CB 0.575 39.151 38.487 0.149 0.000 1.060 298 N HN 0.304 nan 8.380 nan 0.000 0.468 299 P HA 0.120 nan 4.420 nan 0.000 0.278 299 P C -0.870 176.498 177.300 0.114 0.000 1.238 299 P CA -0.299 62.840 63.100 0.064 0.000 0.794 299 P CB 0.983 32.617 31.700 -0.110 0.000 0.955 300 R N 2.458 123.005 120.500 0.079 0.000 2.437 300 R HA 0.444 4.784 4.340 -0.001 0.000 0.310 300 R C -0.949 175.450 176.300 0.165 0.000 0.955 300 R CA -0.515 55.703 56.100 0.197 0.000 0.851 300 R CB 0.679 30.967 30.300 -0.021 0.000 1.161 300 R HN 0.420 nan 8.270 nan 0.000 0.446 301 N N 2.991 121.816 118.700 0.208 0.000 2.292 301 N HA 0.586 5.325 4.740 -0.001 0.000 0.303 301 N C -1.532 174.091 175.510 0.189 0.000 1.140 301 N CA -0.369 52.725 53.050 0.073 0.000 0.788 301 N CB 1.541 40.093 38.487 0.108 0.000 1.361 301 N HN 0.452 nan 8.380 nan 0.000 0.489 302 F N -1.195 118.845 119.950 0.150 0.000 2.817 302 F HA 0.685 5.211 4.527 -0.001 0.000 0.317 302 F C -1.992 173.931 175.800 0.205 0.000 1.168 302 F CA -1.086 56.962 58.000 0.080 0.000 0.911 302 F CB 1.124 40.007 39.000 -0.195 0.000 1.337 302 F HN 0.089 nan 8.300 nan 0.000 0.464 303 I N 2.529 123.356 120.570 0.429 0.000 2.534 303 I HA 0.310 4.479 4.170 -0.001 0.000 0.288 303 I C -1.518 174.895 176.117 0.493 0.000 1.077 303 I CA -0.781 60.741 61.300 0.369 0.000 1.051 303 I CB 1.860 39.931 38.000 0.118 0.000 1.234 303 I HN 0.614 nan 8.210 nan 0.000 0.425 304 N N 7.261 126.278 118.700 0.528 0.000 2.424 304 N HA 0.537 5.276 4.740 -0.001 0.000 0.271 304 N C -0.414 175.319 175.510 0.371 0.000 0.985 304 N CA -0.346 53.038 53.050 0.557 0.000 0.921 304 N CB 2.515 41.362 38.487 0.599 0.000 1.149 304 N HN 0.569 nan 8.380 nan 0.000 0.492 305 I N -1.195 119.592 120.570 0.363 0.000 2.525 305 I HA 0.540 4.710 4.170 -0.001 0.000 0.301 305 I C -0.775 175.508 176.117 0.277 0.000 0.992 305 I CA -0.960 60.501 61.300 0.268 0.000 1.162 305 I CB 1.384 39.506 38.000 0.203 0.000 1.332 305 I HN 0.173 nan 8.210 nan 0.000 0.458 306 L N 6.061 127.432 121.223 0.246 0.000 2.335 306 L HA 0.506 4.845 4.340 -0.001 0.000 0.268 306 L C -2.359 174.631 176.870 0.201 0.000 1.037 306 L CA -1.643 53.312 54.840 0.192 0.000 0.895 306 L CB 0.940 43.079 42.059 0.133 0.000 1.266 306 L HN 0.402 nan 8.230 nan 0.000 0.439 307 P HA 0.056 nan 4.420 nan 0.000 0.268 307 P C -1.767 175.630 177.300 0.161 0.000 1.205 307 P CA -0.938 62.314 63.100 0.253 0.000 0.771 307 P CB 0.287 32.171 31.700 0.307 0.000 0.858 308 P HA -0.100 nan 4.420 nan 0.000 0.223 308 P C -0.256 177.085 177.300 0.067 0.000 1.151 308 P CA 1.397 64.542 63.100 0.075 0.000 0.787 308 P CB 0.404 32.131 31.700 0.045 0.000 0.788 309 N N 0.821 119.577 118.700 0.093 0.000 2.417 309 N HA 0.309 5.049 4.740 -0.001 0.000 0.274 309 N C -2.630 172.945 175.510 0.109 0.000 0.987 309 N CA -1.749 51.351 53.050 0.084 0.000 0.912 309 N CB 0.994 39.523 38.487 0.070 0.000 1.177 309 N HN -0.033 nan 8.380 nan 0.000 0.490 310 P HA 0.037 nan 4.420 nan 0.000 0.264 310 P C -0.248 177.076 177.300 0.041 0.000 1.179 310 P CA 0.285 63.406 63.100 0.035 0.000 0.763 310 P CB 0.481 32.193 31.700 0.020 0.000 0.806 311 I N -1.099 119.445 120.570 -0.043 0.000 2.740 311 I HA 0.599 4.768 4.170 -0.001 0.000 0.303 311 I C 0.097 176.137 176.117 -0.129 0.000 1.044 311 I CA -1.379 59.873 61.300 -0.080 0.000 1.064 311 I CB 2.163 39.977 38.000 -0.309 0.000 1.249 311 I HN 0.180 nan 8.210 nan 0.000 0.433 312 E N 4.668 124.823 120.200 -0.076 0.000 2.313 312 E HA 0.457 4.806 4.350 -0.001 0.000 0.272 312 E C -2.791 173.713 176.600 -0.159 0.000 1.038 312 E CA -2.335 54.014 56.400 -0.085 0.000 0.863 312 E CB 0.787 30.477 29.700 -0.017 0.000 1.060 312 E HN 0.426 nan 8.360 nan 0.000 0.402 313 P HA 0.076 nan 4.420 nan 0.000 0.271 313 P C -0.423 176.790 177.300 -0.144 0.000 1.216 313 P CA 0.043 62.993 63.100 -0.251 0.000 0.776 313 P CB 0.675 32.254 31.700 -0.201 0.000 0.881 314 T N -0.401 114.064 114.554 -0.147 0.000 2.864 314 T HA 0.699 5.048 4.350 -0.001 0.000 0.299 314 T C 0.198 174.970 174.700 0.120 0.000 1.166 314 T CA -0.994 61.112 62.100 0.010 0.000 1.007 314 T CB 1.040 69.970 68.868 0.105 0.000 1.219 314 T HN 0.417 nan 8.240 nan 0.000 0.506 315 I N -0.364 120.277 120.570 0.119 0.000 2.428 315 I HA 0.731 4.900 4.170 -0.001 0.000 0.296 315 I C -0.232 176.012 176.117 0.212 0.000 0.985 315 I CA -1.468 59.922 61.300 0.151 0.000 1.260 315 I CB 1.312 39.335 38.000 0.038 0.000 1.389 315 I HN 0.391 nan 8.210 nan 0.000 0.484 316 V N 5.033 125.086 119.914 0.231 0.000 2.529 316 V HA 0.079 4.198 4.120 -0.001 0.000 0.292 316 V C 1.285 177.473 176.094 0.158 0.000 1.028 316 V CA 1.077 63.506 62.300 0.215 0.000 1.074 316 V CB 0.408 32.348 31.823 0.196 0.000 0.958 316 V HN 1.097 nan 8.190 nan 0.000 0.481 317 T N 1.126 115.776 114.554 0.159 0.000 3.051 317 T HA 0.165 4.514 4.350 -0.001 0.000 0.254 317 T C 0.141 174.924 174.700 0.139 0.000 0.916 317 T CA -0.045 62.141 62.100 0.143 0.000 0.894 317 T CB 0.291 69.251 68.868 0.155 0.000 1.251 317 T HN 0.231 nan 8.240 nan 0.000 0.517 318 V N 3.409 123.422 119.914 0.164 0.000 2.406 318 V HA 0.539 4.658 4.120 -0.001 0.000 0.272 318 V C -0.421 175.794 176.094 0.202 0.000 1.043 318 V CA -0.673 61.736 62.300 0.182 0.000 0.915 318 V CB 1.075 33.030 31.823 0.220 0.000 0.988 318 V HN 0.418 nan 8.190 nan 0.000 0.466 319 L N 4.436 125.703 121.223 0.074 0.000 2.346 319 L HA 0.737 5.076 4.340 -0.001 0.000 0.276 319 L C 0.574 177.229 176.870 -0.358 0.000 1.006 319 L CA -0.535 54.288 54.840 -0.029 0.000 0.817 319 L CB 1.952 44.004 42.059 -0.010 0.000 1.272 319 L HN 0.706 nan 8.230 nan 0.000 0.421 320 G N 4.397 112.745 108.800 -0.753 0.000 2.603 320 G HA2 0.534 4.494 3.960 -0.001 0.000 0.324 320 G HA3 0.534 4.494 3.960 -0.001 0.000 0.324 320 G C -0.443 174.205 174.900 -0.419 0.000 1.178 320 G CA -0.281 44.120 45.100 -1.166 0.000 1.023 320 G HN 0.266 nan 8.290 nan 0.000 0.482 321 I N 1.972 122.371 120.570 -0.286 0.000 2.315 321 I HA 0.371 4.540 4.170 -0.001 0.000 0.291 321 I C 0.336 176.321 176.117 -0.220 0.000 1.006 321 I CA -0.298 60.889 61.300 -0.187 0.000 1.265 321 I CB 0.970 38.764 38.000 -0.343 0.000 1.387 321 I HN 0.185 nan 8.210 nan 0.000 0.475 322 S N 4.499 120.022 115.700 -0.294 0.000 2.689 322 S HA 0.379 4.849 4.470 -0.001 0.000 0.306 322 S C 1.046 175.400 174.600 -0.411 0.000 1.104 322 S CA -0.639 57.245 58.200 -0.528 0.000 0.973 322 S CB 1.676 64.127 63.200 -1.249 0.000 1.121 322 S HN 0.575 nan 8.310 nan 0.000 0.523 323 N N 1.033 119.501 118.700 -0.387 0.000 2.244 323 N HA -0.065 4.674 4.740 -0.001 0.000 0.183 323 N C 0.400 175.708 175.510 -0.336 0.000 1.016 323 N CA 1.031 53.930 53.050 -0.251 0.000 0.866 323 N CB 0.101 38.462 38.487 -0.210 0.000 0.980 323 N HN 0.472 nan 8.380 nan 0.000 0.430 324 D N -0.887 119.168 120.400 -0.576 0.000 2.379 324 D HA 0.102 4.741 4.640 -0.001 0.000 0.208 324 D C -0.390 175.623 176.300 -0.478 0.000 1.065 324 D CA 0.271 53.886 54.000 -0.641 0.000 0.848 324 D CB 0.470 40.721 40.800 -0.915 0.000 0.949 324 D HN 0.260 nan 8.370 nan 0.000 0.509 325 F N -0.796 118.856 119.950 -0.497 0.000 2.678 325 F HA 0.526 5.052 4.527 -0.001 0.000 0.308 325 F C -1.709 173.829 175.800 -0.438 0.000 1.118 325 F CA -1.731 55.932 58.000 -0.561 0.000 0.959 325 F CB 0.518 39.388 39.000 -0.217 0.000 1.305 325 F HN -0.307 nan 8.300 nan 0.000 0.443 326 Y N 0.891 121.284 120.300 0.154 0.000 2.409 326 Y HA 0.700 5.249 4.550 -0.001 0.000 0.343 326 Y C -0.414 175.591 175.900 0.174 0.000 0.973 326 Y CA -1.049 57.089 58.100 0.064 0.000 1.064 326 Y CB 2.176 40.619 38.460 -0.028 0.000 1.207 326 Y HN 0.605 nan 8.280 nan 0.000 0.452 327 Q N 2.511 122.520 119.800 0.347 0.000 2.484 327 Q HA 0.820 5.159 4.340 -0.001 0.000 0.285 327 Q C -1.088 175.228 176.000 0.527 0.000 1.097 327 Q CA -1.003 55.078 55.803 0.462 0.000 0.802 327 Q CB 3.074 32.174 28.738 0.603 0.000 1.444 327 Q HN 0.929 nan 8.270 nan 0.000 0.429 328 C N -1.925 117.764 119.300 0.648 0.000 3.249 328 C HA 0.873 5.332 4.460 -0.001 0.000 0.350 328 C C -1.122 174.126 174.990 0.430 0.000 1.431 328 C CA -0.786 58.590 59.018 0.596 0.000 1.209 328 C CB 1.439 29.471 27.740 0.487 0.000 1.546 328 C HN 0.801 nan 8.230 nan 0.000 0.450 329 S N -0.051 115.823 115.700 0.291 0.000 2.547 329 S HA 0.800 5.269 4.470 -0.001 0.000 0.281 329 S C -1.724 173.064 174.600 0.313 0.000 1.118 329 S CA -0.206 58.047 58.200 0.088 0.000 0.947 329 S CB 1.337 64.323 63.200 -0.357 0.000 1.053 329 S HN 1.444 nan 8.310 nan 0.000 0.482 330 F N 4.337 124.365 119.950 0.131 0.000 2.493 330 F HA 0.683 5.210 4.527 -0.001 0.000 0.329 330 F C -0.248 175.484 175.800 -0.113 0.000 1.126 330 F CA -0.649 57.417 58.000 0.110 0.000 0.937 330 F CB 1.780 40.909 39.000 0.215 0.000 1.146 330 F HN 0.533 nan 8.300 nan 0.000 0.442 331 S N 4.006 119.265 115.700 -0.735 0.000 2.509 331 S HA 0.837 5.307 4.470 -0.001 0.000 0.297 331 S C -0.535 173.298 174.600 -1.278 0.000 1.118 331 S CA -0.532 57.039 58.200 -1.049 0.000 1.074 331 S CB 1.709 64.319 63.200 -0.983 0.000 1.038 331 S HN 0.807 nan 8.310 nan 0.000 0.498 332 S N 1.660 116.612 115.700 -1.247 0.000 2.671 332 S HA 0.627 5.096 4.470 -0.001 0.000 0.277 332 S C -0.940 173.370 174.600 -0.484 0.000 1.165 332 S CA -0.957 56.703 58.200 -0.899 0.000 0.822 332 S CB 0.670 63.307 63.200 -0.938 0.000 1.150 332 S HN 0.764 nan 8.310 nan 0.000 0.479 333 L N 2.971 124.093 121.223 -0.169 0.000 2.456 333 L HA 0.483 4.822 4.340 -0.001 0.000 0.257 333 L C -1.766 175.178 176.870 0.124 0.000 1.162 333 L CA -1.914 52.918 54.840 -0.013 0.000 0.808 333 L CB 0.542 42.617 42.059 0.027 0.000 1.136 333 L HN 0.559 nan 8.230 nan 0.000 0.466 334 P HA 0.307 nan 4.420 nan 0.000 0.274 334 P C -1.274 176.025 177.300 -0.001 0.000 1.256 334 P CA -0.026 63.024 63.100 -0.083 0.000 0.795 334 P CB 0.984 32.651 31.700 -0.055 0.000 1.038 335 F N -3.871 116.119 119.950 0.067 0.000 2.744 335 F HA 0.458 4.984 4.527 -0.001 0.000 0.311 335 F C 0.303 176.127 175.800 0.040 0.000 1.144 335 F CA -0.727 57.300 58.000 0.045 0.000 0.938 335 F CB 0.075 39.094 39.000 0.032 0.000 1.292 335 F HN 0.299 nan 8.300 nan 0.000 0.444 336 T N -3.327 111.438 114.554 0.351 0.000 3.001 336 T HA 0.246 4.596 4.350 -0.001 0.000 0.251 336 T C 0.330 175.172 174.700 0.237 0.000 1.040 336 T CA 0.386 62.631 62.100 0.241 0.000 0.985 336 T CB -0.083 68.862 68.868 0.129 0.000 1.011 336 T HN 0.635 nan 8.240 nan 0.000 0.509 337 T N 5.521 120.194 114.554 0.197 0.000 2.743 337 T HA 0.455 4.804 4.350 -0.001 0.000 0.292 337 T C -2.782 171.850 174.700 -0.114 0.000 0.972 337 T CA -1.374 60.750 62.100 0.040 0.000 0.967 337 T CB 1.625 70.467 68.868 -0.043 0.000 0.926 337 T HN 0.166 nan 8.240 nan 0.000 0.459 338 P HA 0.290 nan 4.420 nan 0.000 0.276 338 P C -2.938 174.184 177.300 -0.297 0.000 1.230 338 P CA -1.892 61.124 63.100 -0.141 0.000 0.776 338 P CB 0.193 31.979 31.700 0.143 0.000 0.888 339 P HA 0.227 nan 4.420 nan 0.000 0.280 339 P C -0.262 176.927 177.300 -0.184 0.000 1.300 339 P CA -0.266 62.578 63.100 -0.427 0.000 0.785 339 P CB -0.117 31.195 31.700 -0.646 0.000 0.874 340 F N 3.457 123.279 119.950 -0.212 0.000 2.608 340 F HA 0.246 4.773 4.527 -0.001 0.000 0.380 340 F C 1.671 177.424 175.800 -0.077 0.000 1.083 340 F CA 2.242 60.173 58.000 -0.114 0.000 1.266 340 F CB 0.018 38.951 39.000 -0.111 0.000 1.076 340 F HN 0.690 nan 8.300 nan 0.000 0.574 341 G N 4.697 113.205 108.800 -0.487 0.000 2.268 341 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.240 341 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.240 341 G C 0.880 175.883 174.900 0.172 0.000 1.010 341 G CA 0.360 45.400 45.100 -0.101 0.000 0.618 341 G HN 0.683 nan 8.290 nan 0.000 0.516 342 F N 1.089 120.954 119.950 -0.141 0.000 2.075 342 F HA 0.399 4.925 4.527 -0.001 0.000 0.297 342 F C 1.234 176.701 175.800 -0.555 0.000 1.113 342 F CA 1.131 58.955 58.000 -0.293 0.000 1.218 342 F CB -0.119 38.475 39.000 -0.676 0.000 0.984 342 F HN 0.150 nan 8.300 nan 0.000 0.472 343 F N 0.892 120.697 119.950 -0.242 0.000 2.425 343 F HA 0.283 4.809 4.527 -0.001 0.000 0.331 343 F C -1.034 174.586 175.800 -0.300 0.000 1.085 343 F CA -2.250 55.460 58.000 -0.483 0.000 1.028 343 F CB 0.660 39.221 39.000 -0.733 0.000 1.177 343 F HN -0.212 nan 8.300 nan 0.000 0.487 344 P HA -0.103 nan 4.420 nan 0.000 0.221 344 P C -0.131 177.131 177.300 -0.064 0.000 1.145 344 P CA 1.056 64.123 63.100 -0.055 0.000 0.795 344 P CB 0.239 31.927 31.700 -0.020 0.000 0.775 345 S N -2.284 113.418 115.700 0.002 0.000 2.638 345 S HA 0.365 4.834 4.470 -0.001 0.000 0.274 345 S C 0.940 175.588 174.600 0.081 0.000 1.157 345 S CA -0.005 58.206 58.200 0.017 0.000 0.826 345 S CB 1.103 64.342 63.200 0.065 0.000 1.139 345 S HN 0.001 nan 8.310 nan 0.000 0.474 346 S N 0.549 116.306 115.700 0.095 0.000 2.453 346 S HA 0.005 4.474 4.470 -0.001 0.000 0.231 346 S C 1.099 175.797 174.600 0.164 0.000 1.005 346 S CA 0.635 58.922 58.200 0.144 0.000 0.949 346 S CB -0.882 62.409 63.200 0.152 0.000 0.774 346 S HN 1.444 nan 8.310 nan 0.000 0.510 347 S N 0.684 116.469 115.700 0.142 0.000 4.087 347 S HA 0.468 4.937 4.470 -0.001 0.000 0.213 347 S C -0.830 173.855 174.600 0.142 0.000 1.415 347 S CA -0.787 57.481 58.200 0.114 0.000 0.893 347 S CB -0.838 62.403 63.200 0.068 0.000 1.529 347 S HN 0.472 nan 8.310 nan 0.000 0.457 348 Y N 2.477 122.788 120.300 0.018 0.000 2.492 348 Y HA 0.537 5.086 4.550 -0.001 0.000 0.346 348 Y C -2.487 173.374 175.900 -0.065 0.000 0.997 348 Y CA -1.954 56.108 58.100 -0.064 0.000 1.025 348 Y CB 1.791 40.196 38.460 -0.092 0.000 1.263 348 Y HN 0.386 nan 8.280 nan 0.000 0.454 349 P HA 0.193 nan 4.420 nan 0.000 0.271 349 P C -1.234 176.062 177.300 -0.006 0.000 1.218 349 P CA 0.046 63.042 63.100 -0.173 0.000 0.780 349 P CB 1.276 32.794 31.700 -0.304 0.000 0.901 350 L N 4.538 125.772 121.223 0.019 0.000 2.325 350 L HA 0.431 4.770 4.340 -0.001 0.000 0.279 350 L C -1.825 174.941 176.870 -0.174 0.000 1.054 350 L CA -2.020 52.828 54.840 0.013 0.000 0.804 350 L CB 1.148 43.260 42.059 0.088 0.000 1.200 350 L HN 0.307 nan 8.230 nan 0.000 0.436 351 P HA 0.173 nan 4.420 nan 0.000 0.287 351 P C -0.936 176.195 177.300 -0.283 0.000 1.281 351 P CA -0.536 62.321 63.100 -0.405 0.000 0.781 351 P CB 0.898 32.168 31.700 -0.716 0.000 0.903 352 N N 0.732 119.349 118.700 -0.139 0.000 2.230 352 N HA 0.057 4.797 4.740 -0.001 0.000 0.202 352 N C -0.014 175.471 175.510 -0.041 0.000 1.119 352 N CA -0.372 52.632 53.050 -0.076 0.000 0.851 352 N CB 0.151 38.613 38.487 -0.042 0.000 0.990 352 N HN 0.330 nan 8.380 nan 0.000 0.497 353 S N -1.787 113.892 115.700 -0.034 0.000 2.671 353 S HA 0.536 5.006 4.470 -0.001 0.000 0.277 353 S C -0.323 174.306 174.600 0.048 0.000 1.165 353 S CA -0.760 57.444 58.200 0.007 0.000 0.822 353 S CB 0.558 63.769 63.200 0.019 0.000 1.150 353 S HN 0.245 nan 8.310 nan 0.000 0.479 354 T N 0.046 114.619 114.554 0.032 0.000 2.926 354 T HA 0.532 4.882 4.350 -0.001 0.000 0.307 354 T C -0.206 174.540 174.700 0.078 0.000 1.059 354 T CA -0.320 61.783 62.100 0.004 0.000 1.122 354 T CB -0.564 68.242 68.868 -0.103 0.000 0.972 354 T HN 1.225 nan 8.240 nan 0.000 0.545 355 F N -1.082 118.747 119.950 -0.202 0.000 2.685 355 F HA 0.831 5.357 4.527 -0.001 0.000 0.315 355 F C -1.024 174.602 175.800 -0.289 0.000 1.126 355 F CA -1.760 56.139 58.000 -0.167 0.000 0.950 355 F CB 1.080 40.061 39.000 -0.031 0.000 1.360 355 F HN 0.834 nan 8.300 nan 0.000 0.469 356 A N 1.034 123.745 122.820 -0.181 0.000 2.343 356 A HA 0.597 4.916 4.320 -0.001 0.000 0.316 356 A C -2.060 175.634 177.584 0.184 0.000 1.104 356 A CA -0.632 51.190 52.037 -0.358 0.000 0.768 356 A CB 0.545 19.230 19.000 -0.526 0.000 1.213 356 A HN 1.006 nan 8.150 nan 0.000 0.456 357 H N 1.757 120.865 119.070 0.064 0.000 2.623 357 H HA 0.588 5.143 4.556 -0.001 0.000 0.299 357 H C -1.702 173.743 175.328 0.195 0.000 1.052 357 H CA -0.585 55.675 56.048 0.353 0.000 1.231 357 H CB 0.124 30.230 29.762 0.574 0.000 1.389 357 H HN 0.438 nan 8.280 nan 0.000 0.469 358 F N 4.121 124.135 119.950 0.107 0.000 2.390 358 F HA 0.505 5.032 4.527 -0.001 0.000 0.361 358 F C 0.488 176.290 175.800 0.003 0.000 1.124 358 F CA -0.279 57.785 58.000 0.107 0.000 1.149 358 F CB 0.921 39.972 39.000 0.086 0.000 1.160 358 F HN 0.623 nan 8.300 nan 0.000 0.501 359 A N 2.518 125.472 122.820 0.223 0.000 2.340 359 A HA 0.753 5.072 4.320 -0.001 0.000 0.331 359 A C -0.537 177.290 177.584 0.405 0.000 1.140 359 A CA -0.616 51.570 52.037 0.248 0.000 0.801 359 A CB 1.513 20.648 19.000 0.225 0.000 1.234 359 A HN 0.534 nan 8.150 nan 0.000 0.469 360 S N 0.627 116.557 115.700 0.383 0.000 2.647 360 S HA 0.479 4.949 4.470 -0.001 0.000 0.300 360 S C -0.864 173.891 174.600 0.257 0.000 1.129 360 S CA -0.622 57.760 58.200 0.304 0.000 1.029 360 S CB 0.632 63.934 63.200 0.169 0.000 1.007 360 S HN 0.717 nan 8.310 nan 0.000 0.484 361 K N 4.642 125.088 120.400 0.076 0.000 2.265 361 K HA 0.542 4.861 4.320 -0.001 0.000 0.267 361 K C -0.854 175.653 176.600 -0.156 0.000 0.994 361 K CA -0.608 55.576 56.287 -0.172 0.000 0.860 361 K CB 1.115 33.147 32.500 -0.780 0.000 1.099 361 K HN 0.480 nan 8.250 nan 0.000 0.448 362 V N 3.740 123.633 119.914 -0.035 0.000 2.614 362 V HA 0.163 4.282 4.120 -0.001 0.000 0.291 362 V C 0.623 176.637 176.094 -0.133 0.000 1.049 362 V CA -0.383 61.911 62.300 -0.009 0.000 1.038 362 V CB 0.952 32.882 31.823 0.178 0.000 0.980 362 V HN 0.981 nan 8.190 nan 0.000 0.481 363 A N 4.078 126.731 122.820 -0.278 0.000 2.448 363 A HA 0.627 4.946 4.320 -0.001 0.000 0.239 363 A C 1.270 178.868 177.584 0.022 0.000 1.080 363 A CA 0.708 52.614 52.037 -0.218 0.000 0.779 363 A CB -0.236 18.601 19.000 -0.272 0.000 1.026 363 A HN 2.016 nan 8.150 nan 0.000 0.499 364 G N 0.800 109.641 108.800 0.068 0.000 3.076 364 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.256 364 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.256 364 G C -2.635 172.519 174.900 0.423 0.000 1.589 364 G CA 0.046 45.236 45.100 0.151 0.000 1.044 364 G HN 1.030 nan 8.290 nan 0.000 0.563 365 P HA 0.551 nan 4.420 nan 0.000 0.283 365 P C 0.928 178.549 177.300 0.536 0.000 1.278 365 P CA -0.607 62.714 63.100 0.368 0.000 0.834 365 P CB 1.388 33.255 31.700 0.278 0.000 1.150 366 L N -0.483 120.961 121.223 0.369 0.000 2.179 366 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 366 L C 1.310 178.437 176.870 0.428 0.000 1.096 366 L CA 0.939 56.035 54.840 0.427 0.000 0.779 366 L CB -0.491 41.703 42.059 0.225 0.000 0.922 366 L HN 0.344 nan 8.230 nan 0.000 0.443 367 S N -0.377 115.475 115.700 0.253 0.000 2.576 367 S HA 0.315 4.785 4.470 -0.001 0.000 0.276 367 S C -0.670 173.941 174.600 0.018 0.000 1.339 367 S CA -0.259 57.982 58.200 0.068 0.000 1.039 367 S CB 0.518 63.718 63.200 0.001 0.000 0.902 367 S HN 0.245 nan 8.310 nan 0.000 0.516 368 Y N -1.281 118.919 120.300 -0.167 0.000 2.638 368 Y HA 0.836 5.385 4.550 -0.001 0.000 0.335 368 Y C -0.087 175.713 175.900 -0.166 0.000 1.155 368 Y CA -1.072 56.825 58.100 -0.337 0.000 1.046 368 Y CB 0.700 38.735 38.460 -0.708 0.000 1.303 368 Y HN 0.728 nan 8.280 nan 0.000 0.460 369 G N 0.302 109.145 108.800 0.072 0.000 3.183 369 G HA2 0.685 4.644 3.960 -0.001 0.000 0.247 369 G HA3 0.685 4.644 3.960 -0.001 0.000 0.247 369 G C -1.326 173.569 174.900 -0.009 0.000 1.211 369 G CA -0.590 44.489 45.100 -0.034 0.000 0.835 369 G HN 1.346 nan 8.290 nan 0.000 0.604 370 S N -1.752 113.871 115.700 -0.128 0.000 2.651 370 S HA 0.762 5.231 4.470 -0.001 0.000 0.279 370 S C -1.304 173.174 174.600 -0.203 0.000 1.148 370 S CA -0.699 57.409 58.200 -0.153 0.000 0.837 370 S CB 1.738 64.835 63.200 -0.172 0.000 1.138 370 S HN 1.097 nan 8.310 nan 0.000 0.478 371 L N 1.716 122.826 121.223 -0.189 0.000 2.346 371 L HA 0.845 5.184 4.340 -0.001 0.000 0.276 371 L C -0.710 176.038 176.870 -0.202 0.000 1.006 371 L CA -0.102 54.625 54.840 -0.189 0.000 0.817 371 L CB 1.987 43.957 42.059 -0.148 0.000 1.272 371 L HN 1.159 nan 8.230 nan 0.000 0.421 372 T N 1.714 116.170 114.554 -0.164 0.000 2.896 372 T HA 0.532 4.881 4.350 -0.001 0.000 0.297 372 T C -0.406 174.292 174.700 -0.004 0.000 1.108 372 T CA -0.916 61.105 62.100 -0.131 0.000 1.004 372 T CB 1.343 70.146 68.868 -0.109 0.000 1.159 372 T HN 0.487 nan 8.240 nan 0.000 0.499 373 L N 1.995 123.299 121.223 0.135 0.000 2.397 373 L HA 0.425 4.764 4.340 -0.001 0.000 0.271 373 L C 1.774 178.684 176.870 0.067 0.000 1.148 373 L CA -0.658 54.240 54.840 0.097 0.000 0.825 373 L CB 0.842 42.979 42.059 0.130 0.000 1.117 373 L HN 0.839 nan 8.230 nan 0.000 0.456 374 K N 0.844 121.260 120.400 0.026 0.000 2.276 374 K HA 0.051 4.370 4.320 -0.001 0.000 0.198 374 K C 0.488 177.096 176.600 0.014 0.000 1.052 374 K CA 0.293 56.590 56.287 0.018 0.000 0.984 374 K CB 0.618 33.122 32.500 0.006 0.000 0.836 374 K HN 0.531 nan 8.250 nan 0.000 0.490 375 S N 0.178 115.886 115.700 0.012 0.000 2.502 375 S HA 0.158 4.627 4.470 -0.001 0.000 0.304 375 S C 0.407 175.010 174.600 0.005 0.000 1.097 375 S CA -0.652 57.551 58.200 0.005 0.000 1.045 375 S CB 1.723 64.926 63.200 0.004 0.000 1.019 375 S HN 0.288 nan 8.310 nan 0.000 0.481 376 S N 2.774 118.469 115.700 -0.009 0.000 2.603 376 S HA 0.051 4.520 4.470 -0.001 0.000 0.220 376 S C 1.140 175.735 174.600 -0.009 0.000 0.967 376 S CA 0.683 58.871 58.200 -0.020 0.000 0.920 376 S CB -0.224 62.945 63.200 -0.051 0.000 0.773 376 S HN 0.905 nan 8.310 nan 0.000 0.529 377 S N -0.314 115.385 115.700 -0.001 0.000 2.648 377 S HA 0.288 4.757 4.470 -0.001 0.000 0.270 377 S C 0.011 174.616 174.600 0.009 0.000 1.082 377 S CA -0.472 57.730 58.200 0.004 0.000 1.116 377 S CB -0.369 62.831 63.200 -0.000 0.000 1.040 377 S HN 0.317 nan 8.310 nan 0.000 0.572 378 N N 1.971 120.676 118.700 0.008 0.000 2.457 378 N HA 0.316 5.056 4.740 -0.001 0.000 0.250 378 N C 0.523 176.040 175.510 0.011 0.000 0.982 378 N CA -0.158 52.898 53.050 0.011 0.000 0.941 378 N CB 1.695 40.186 38.487 0.008 0.000 1.120 378 N HN 0.092 nan 8.380 nan 0.000 0.505 379 V N 4.975 124.899 119.914 0.015 0.000 3.078 379 V HA -0.024 4.096 4.120 -0.001 0.000 0.265 379 V C 1.736 177.836 176.094 0.010 0.000 1.122 379 V CA 1.490 63.799 62.300 0.014 0.000 1.141 379 V CB -0.296 31.539 31.823 0.021 0.000 0.735 379 V HN 0.576 nan 8.190 nan 0.000 0.498 380 R N -0.775 119.733 120.500 0.012 0.000 2.313 380 R HA 0.140 4.479 4.340 -0.001 0.000 0.199 380 R C 0.322 176.624 176.300 0.003 0.000 0.958 380 R CA 0.047 56.154 56.100 0.011 0.000 1.047 380 R CB 0.250 30.559 30.300 0.015 0.000 0.955 380 R HN 0.367 nan 8.270 nan 0.000 0.481 381 V N 1.542 121.457 119.914 0.001 0.000 2.385 381 V HA 0.049 4.168 4.120 -0.001 0.000 0.269 381 V C 0.458 176.543 176.094 -0.015 0.000 1.043 381 V CA -0.417 61.882 62.300 -0.003 0.000 0.906 381 V CB 1.439 33.263 31.823 0.001 0.000 0.995 381 V HN 0.133 nan 8.190 nan 0.000 0.467 382 S N 7.380 123.068 115.700 -0.020 0.000 2.558 382 S HA 0.144 4.614 4.470 -0.001 0.000 0.293 382 S C -2.044 172.517 174.600 -0.064 0.000 1.292 382 S CA -0.584 57.583 58.200 -0.054 0.000 1.063 382 S CB 0.505 63.681 63.200 -0.040 0.000 0.831 382 S HN 0.599 nan 8.310 nan 0.000 0.499 383 P HA 0.243 nan 4.420 nan 0.000 0.274 383 P C -0.835 176.397 177.300 -0.113 0.000 1.246 383 P CA -0.545 62.498 63.100 -0.096 0.000 0.795 383 P CB 0.425 32.054 31.700 -0.118 0.000 1.006 384 N N 0.242 118.890 118.700 -0.086 0.000 2.499 384 N HA 0.394 5.133 4.740 -0.001 0.000 0.281 384 N C -1.512 173.902 175.510 -0.161 0.000 1.098 384 N CA -0.228 52.770 53.050 -0.087 0.000 0.979 384 N CB 0.437 38.891 38.487 -0.053 0.000 1.121 384 N HN 0.104 nan 8.380 nan 0.000 0.466 385 V N 2.989 122.781 119.914 -0.202 0.000 2.808 385 V HA 0.520 4.639 4.120 -0.001 0.000 0.308 385 V C -1.314 174.502 176.094 -0.463 0.000 1.099 385 V CA -0.768 61.307 62.300 -0.374 0.000 0.920 385 V CB 1.742 33.261 31.823 -0.506 0.000 1.014 385 V HN 0.786 nan 8.190 nan 0.000 0.425 386 K N 4.379 124.454 120.400 -0.541 0.000 2.378 386 K HA 0.547 4.866 4.320 -0.001 0.000 0.252 386 K C -0.727 175.529 176.600 -0.574 0.000 0.931 386 K CA -0.507 55.511 56.287 -0.449 0.000 0.794 386 K CB 1.791 34.161 32.500 -0.217 0.000 1.181 386 K HN 0.607 nan 8.250 nan 0.000 0.425 387 F N 1.155 120.972 119.950 -0.222 0.000 2.717 387 F HA 0.174 4.700 4.527 -0.001 0.000 0.297 387 F C 0.300 175.830 175.800 -0.450 0.000 1.113 387 F CA -0.703 57.055 58.000 -0.404 0.000 1.319 387 F CB 0.516 39.085 39.000 -0.717 0.000 1.097 387 F HN 0.581 nan 8.300 nan 0.000 0.595 388 N N 0.844 119.433 118.700 -0.185 0.000 2.714 388 N HA -0.252 4.487 4.740 -0.001 0.000 0.253 388 N C -0.964 174.483 175.510 -0.106 0.000 1.024 388 N CA 0.483 53.464 53.050 -0.115 0.000 0.726 388 N CB -1.957 36.444 38.487 -0.143 0.000 0.908 388 N HN 0.336 nan 8.380 nan 0.000 0.542 389 Y N -0.254 120.040 120.300 -0.010 0.000 2.811 389 Y HA -0.129 4.420 4.550 -0.001 0.000 0.334 389 Y C 1.460 177.290 175.900 -0.117 0.000 1.247 389 Y CA 0.744 58.731 58.100 -0.187 0.000 1.526 389 Y CB -0.045 38.257 38.460 -0.262 0.000 1.284 389 Y HN 0.270 nan 8.280 nan 0.000 0.586 390 Y N -0.556 119.855 120.300 0.184 0.000 4.538 390 Y HA -0.396 4.153 4.550 -0.001 0.000 0.225 390 Y C 1.895 177.826 175.900 0.052 0.000 1.074 390 Y CA 0.345 58.507 58.100 0.102 0.000 1.942 390 Y CB -1.737 36.779 38.460 0.094 0.000 1.618 390 Y HN 0.726 nan 8.280 nan 0.000 0.642 391 S N -0.691 115.081 115.700 0.120 0.000 2.423 391 S HA -0.112 4.357 4.470 -0.001 0.000 0.231 391 S C 0.685 175.312 174.600 0.045 0.000 1.014 391 S CA 0.851 59.080 58.200 0.049 0.000 0.965 391 S CB 0.033 63.209 63.200 -0.041 0.000 0.785 391 S HN 0.514 nan 8.310 nan 0.000 0.495 392 N N 1.296 120.035 118.700 0.065 0.000 2.426 392 N HA 0.266 5.005 4.740 -0.001 0.000 0.257 392 N C 0.631 176.190 175.510 0.082 0.000 1.002 392 N CA -0.218 52.870 53.050 0.063 0.000 0.942 392 N CB 1.041 39.575 38.487 0.079 0.000 1.112 392 N HN 0.271 nan 8.380 nan 0.000 0.499 393 L N 2.338 123.588 121.223 0.045 0.000 2.261 393 L HA -0.139 4.200 4.340 -0.001 0.000 0.216 393 L C 1.923 178.774 176.870 -0.032 0.000 1.114 393 L CA 0.945 55.797 54.840 0.020 0.000 0.777 393 L CB -0.353 41.707 42.059 0.002 0.000 0.910 393 L HN 0.521 nan 8.230 nan 0.000 0.440 394 T N -1.118 113.397 114.554 -0.065 0.000 2.867 394 T HA -0.150 4.199 4.350 -0.001 0.000 0.268 394 T C 1.407 175.899 174.700 -0.346 0.000 1.057 394 T CA 1.208 63.172 62.100 -0.228 0.000 1.136 394 T CB -0.161 68.589 68.868 -0.196 0.000 0.874 394 T HN 0.319 nan 8.240 nan 0.000 0.466 395 D N 0.976 121.344 120.400 -0.054 0.000 2.117 395 D HA -0.037 4.603 4.640 -0.001 0.000 0.197 395 D C 1.999 178.434 176.300 0.225 0.000 0.987 395 D CA 0.562 54.646 54.000 0.140 0.000 0.829 395 D CB -0.396 40.579 40.800 0.291 0.000 0.961 395 D HN 0.194 nan 8.370 nan 0.000 0.460 396 L N 1.102 122.407 121.223 0.137 0.000 2.046 396 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 396 L C 2.310 179.120 176.870 -0.100 0.000 1.077 396 L CA 1.779 56.533 54.840 -0.144 0.000 0.747 396 L CB -0.849 41.102 42.059 -0.180 0.000 0.896 396 L HN 0.037 nan 8.230 nan 0.000 0.432 397 S N -1.993 113.656 115.700 -0.085 0.000 2.382 397 S HA -0.256 4.213 4.470 -0.001 0.000 0.228 397 S C 1.954 176.597 174.600 0.070 0.000 1.027 397 S CA 1.444 59.615 58.200 -0.048 0.000 0.991 397 S CB -1.154 61.996 63.200 -0.083 0.000 0.823 397 S HN 0.702 nan 8.310 nan 0.000 0.469 398 H N -0.409 118.698 119.070 0.062 0.000 2.423 398 H HA 0.001 4.556 4.556 -0.001 0.000 0.297 398 H C 2.672 178.034 175.328 0.056 0.000 1.075 398 H CA 0.942 57.056 56.048 0.110 0.000 1.342 398 H CB -0.255 29.586 29.762 0.132 0.000 1.395 398 H HN 0.584 nan 8.280 nan 0.000 0.530 399 c N 0.517 119.214 118.600 0.162 0.000 2.446 399 c HA -0.112 4.458 4.570 -0.001 0.000 0.277 399 c C 2.744 176.826 174.090 -0.014 0.000 1.275 399 c CA 0.683 57.058 56.329 0.077 0.000 1.727 399 c CB -1.061 41.469 42.510 0.033 0.000 2.010 399 c HN 0.333 nan 8.230 nan 0.000 0.486 400 V N 1.149 121.051 119.914 -0.018 0.000 2.287 400 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 400 V C 2.739 178.727 176.094 -0.176 0.000 1.053 400 V CA 2.638 64.918 62.300 -0.034 0.000 1.027 400 V CB -0.975 30.818 31.823 -0.049 0.000 0.646 400 V HN 0.647 nan 8.190 nan 0.000 0.447 401 S N 0.448 116.061 115.700 -0.145 0.000 2.370 401 S HA -0.145 4.324 4.470 -0.001 0.000 0.226 401 S C 2.070 176.319 174.600 -0.585 0.000 1.033 401 S CA 1.402 59.489 58.200 -0.187 0.000 1.011 401 S CB -0.776 62.489 63.200 0.109 0.000 0.852 401 S HN 0.709 nan 8.310 nan 0.000 0.457 402 G N 1.730 109.950 108.800 -0.966 0.000 2.421 402 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.216 402 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.216 402 G C 1.291 175.835 174.900 -0.594 0.000 1.171 402 G CA 0.926 45.106 45.100 -1.532 0.000 0.775 402 G HN 0.316 nan 8.290 nan 0.000 0.543 403 M N 0.432 119.882 119.600 -0.250 0.000 2.319 403 M HA 0.117 4.596 4.480 -0.001 0.000 0.265 403 M C 2.259 178.547 176.300 -0.021 0.000 1.068 403 M CA 0.750 56.023 55.300 -0.044 0.000 1.118 403 M CB -0.704 31.971 32.600 0.124 0.000 1.395 403 M HN 0.213 nan 8.290 nan 0.000 0.435 404 K N -0.110 120.166 120.400 -0.207 0.000 2.097 404 K HA -0.166 4.153 4.320 -0.001 0.000 0.205 404 K C 2.045 178.555 176.600 -0.150 0.000 1.050 404 K CA 0.965 57.081 56.287 -0.286 0.000 0.938 404 K CB -0.026 32.204 32.500 -0.451 0.000 0.718 404 K HN -0.004 nan 8.250 nan 0.000 0.442 405 K N 1.386 121.690 120.400 -0.160 0.000 2.097 405 K HA -0.065 4.254 4.320 -0.001 0.000 0.205 405 K C 1.749 178.340 176.600 -0.015 0.000 1.050 405 K CA 1.022 57.289 56.287 -0.033 0.000 0.938 405 K CB -0.108 32.437 32.500 0.075 0.000 0.718 405 K HN -0.031 nan 8.250 nan 0.000 0.442 406 I N 0.617 121.157 120.570 -0.051 0.000 2.286 406 I HA -0.127 4.043 4.170 -0.001 0.000 0.248 406 I C 2.218 178.249 176.117 -0.143 0.000 1.115 406 I CA 1.678 62.932 61.300 -0.077 0.000 1.392 406 I CB -1.659 36.308 38.000 -0.054 0.000 1.065 406 I HN 0.362 nan 8.210 nan 0.000 0.418 407 G N 0.385 109.133 108.800 -0.087 0.000 2.442 407 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.219 407 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.219 407 G C 1.591 176.456 174.900 -0.060 0.000 1.141 407 G CA 0.432 45.494 45.100 -0.063 0.000 0.763 407 G HN 0.431 nan 8.290 nan 0.000 0.554 408 E N -0.008 120.161 120.200 -0.052 0.000 2.077 408 E HA -0.050 4.299 4.350 -0.001 0.000 0.193 408 E C 2.615 179.185 176.600 -0.050 0.000 0.989 408 E CA 0.534 56.914 56.400 -0.032 0.000 0.800 408 E CB -0.196 29.496 29.700 -0.012 0.000 0.746 408 E HN 0.402 nan 8.360 nan 0.000 0.452 409 L N 0.691 121.852 121.223 -0.104 0.000 2.042 409 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 409 L C 2.462 179.213 176.870 -0.199 0.000 1.076 409 L CA 0.998 55.725 54.840 -0.188 0.000 0.749 409 L CB -0.452 41.400 42.059 -0.346 0.000 0.893 409 L HN 0.189 nan 8.230 nan 0.000 0.432 410 L N -0.985 120.097 121.223 -0.236 0.000 2.362 410 L HA -0.118 4.221 4.340 -0.001 0.000 0.219 410 L C 2.009 178.974 176.870 0.158 0.000 1.134 410 L CA 0.628 55.388 54.840 -0.134 0.000 0.807 410 L CB -0.292 41.620 42.059 -0.245 0.000 0.927 410 L HN 0.183 nan 8.230 nan 0.000 0.447 411 S N -1.492 114.247 115.700 0.065 0.000 2.556 411 S HA 0.028 4.497 4.470 -0.001 0.000 0.216 411 S C 0.911 175.547 174.600 0.060 0.000 0.970 411 S CA -0.034 58.213 58.200 0.078 0.000 0.912 411 S CB -0.102 63.123 63.200 0.041 0.000 0.790 411 S HN 0.529 nan 8.310 nan 0.000 0.504 412 T N 0.372 114.959 114.554 0.056 0.000 2.868 412 T HA 0.218 4.567 4.350 -0.001 0.000 0.292 412 T C 0.497 175.238 174.700 0.068 0.000 1.028 412 T CA -0.487 61.642 62.100 0.049 0.000 1.059 412 T CB 0.584 69.472 68.868 0.032 0.000 0.991 412 T HN -0.152 nan 8.240 nan 0.000 0.531 413 D N 1.186 121.617 120.400 0.052 0.000 2.144 413 D HA -0.038 4.601 4.640 -0.001 0.000 0.199 413 D C 2.351 178.696 176.300 0.074 0.000 0.984 413 D CA 1.587 55.617 54.000 0.049 0.000 0.834 413 D CB -0.804 40.017 40.800 0.036 0.000 0.955 413 D HN 0.761 nan 8.370 nan 0.000 0.465 414 A N 0.482 123.352 122.820 0.083 0.000 1.940 414 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 414 A C 2.137 179.859 177.584 0.231 0.000 1.176 414 A CA 1.027 53.133 52.037 0.114 0.000 0.631 414 A CB -0.568 18.469 19.000 0.061 0.000 0.814 414 A HN 0.272 nan 8.150 nan 0.000 0.446 415 L N -1.450 119.923 121.223 0.250 0.000 2.607 415 L HA 0.037 4.377 4.340 -0.001 0.000 0.228 415 L C 1.919 179.050 176.870 0.436 0.000 1.123 415 L CA 0.163 55.289 54.840 0.476 0.000 0.890 415 L CB -0.232 42.061 42.059 0.390 0.000 1.103 415 L HN 0.365 nan 8.230 nan 0.000 0.468 416 K N 0.990 121.500 120.400 0.183 0.000 2.044 416 K HA -0.167 4.152 4.320 -0.001 0.000 0.210 416 K C -0.568 175.988 176.600 -0.074 0.000 1.049 416 K CA 1.380 57.678 56.287 0.019 0.000 0.927 416 K CB -1.151 31.341 32.500 -0.014 0.000 0.713 416 K HN 0.243 nan 8.250 nan 0.000 0.443 417 P HA -0.143 nan 4.420 nan 0.000 0.226 417 P C 0.130 177.108 177.300 -0.536 0.000 1.146 417 P CA 1.154 64.013 63.100 -0.402 0.000 0.773 417 P CB -0.015 31.349 31.700 -0.561 0.000 0.772 418 Y N -1.449 118.957 120.300 0.177 0.000 2.485 418 Y HA 0.215 4.764 4.550 -0.001 0.000 0.260 418 Y C 1.012 177.017 175.900 0.174 0.000 1.173 418 Y CA -0.350 57.908 58.100 0.264 0.000 1.252 418 Y CB -0.010 38.740 38.460 0.484 0.000 1.123 418 Y HN -0.197 nan 8.280 nan 0.000 0.524 419 K N -0.057 120.281 120.400 -0.103 0.000 2.098 419 K HA 0.278 4.597 4.320 -0.001 0.000 0.257 419 K C 0.654 177.166 176.600 -0.147 0.000 0.999 419 K CA -0.260 55.774 56.287 -0.422 0.000 0.924 419 K CB 1.985 34.075 32.500 -0.682 0.000 1.028 419 K HN -0.104 nan 8.250 nan 0.000 0.466 420 V N 1.180 121.033 119.914 -0.102 0.000 2.992 420 V HA -0.043 4.076 4.120 -0.001 0.000 0.250 420 V C 0.047 176.102 176.094 -0.066 0.000 1.090 420 V CA 1.127 63.403 62.300 -0.040 0.000 1.101 420 V CB -0.244 31.583 31.823 0.007 0.000 0.743 420 V HN 0.734 nan 8.190 nan 0.000 0.468 421 E N -0.226 119.911 120.200 -0.105 0.000 2.314 421 E HA 0.273 4.622 4.350 -0.001 0.000 0.272 421 E C -1.274 175.249 176.600 -0.129 0.000 0.884 421 E CA -0.639 55.707 56.400 -0.091 0.000 0.753 421 E CB 1.925 31.587 29.700 -0.063 0.000 1.213 421 E HN -0.071 nan 8.360 nan 0.000 0.432 422 D N 3.381 123.721 120.400 -0.100 0.000 2.608 422 D HA 0.151 4.790 4.640 -0.001 0.000 0.224 422 D C -0.812 175.440 176.300 -0.080 0.000 1.123 422 D CA 0.082 54.021 54.000 -0.102 0.000 1.030 422 D CB -0.261 40.494 40.800 -0.076 0.000 1.093 422 D HN 0.326 nan 8.370 nan 0.000 0.497 423 L N 2.631 123.799 121.223 -0.091 0.000 2.375 423 L HA 0.521 4.860 4.340 -0.001 0.000 0.268 423 L C -1.697 175.145 176.870 -0.046 0.000 1.058 423 L CA -1.976 52.829 54.840 -0.058 0.000 0.803 423 L CB 1.343 43.373 42.059 -0.048 0.000 1.212 423 L HN 0.151 nan 8.230 nan 0.000 0.451 424 P HA 0.124 nan 4.420 nan 0.000 0.272 424 P C 0.355 177.657 177.300 0.004 0.000 1.230 424 P CA 0.427 63.520 63.100 -0.011 0.000 0.788 424 P CB 0.931 32.627 31.700 -0.007 0.000 0.949 425 G N 1.251 110.059 108.800 0.014 0.000 2.611 425 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.301 425 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.301 425 G C 0.860 175.800 174.900 0.068 0.000 1.233 425 G CA 0.893 46.013 45.100 0.032 0.000 0.993 425 G HN 0.678 nan 8.290 nan 0.000 0.553 426 V N -0.923 119.041 119.914 0.083 0.000 3.623 426 V HA 0.429 4.549 4.120 -0.001 0.000 0.271 426 V C 0.887 177.112 176.094 0.219 0.000 1.248 426 V CA 1.610 64.004 62.300 0.157 0.000 1.156 426 V CB -0.457 31.407 31.823 0.068 0.000 0.870 426 V HN 0.587 nan 8.190 nan 0.000 0.453 427 E N 0.677 120.942 120.200 0.108 0.000 2.349 427 E HA 0.560 4.909 4.350 -0.001 0.000 0.262 427 E C 1.120 177.716 176.600 -0.006 0.000 1.088 427 E CA 0.242 56.688 56.400 0.076 0.000 0.899 427 E CB 1.128 30.843 29.700 0.024 0.000 1.044 427 E HN 0.402 nan 8.360 nan 0.000 0.420 428 G N 1.111 109.899 108.800 -0.020 0.000 2.231 428 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.206 428 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.206 428 G C -0.154 174.640 174.900 -0.176 0.000 0.996 428 G CA -0.611 44.403 45.100 -0.143 0.000 0.645 428 G HN 0.371 nan 8.290 nan 0.000 0.498 429 F N 1.319 121.292 119.950 0.039 0.000 2.370 429 F HA 0.462 4.989 4.527 -0.001 0.000 0.324 429 F C 0.892 176.726 175.800 0.056 0.000 1.116 429 F CA -0.446 57.594 58.000 0.066 0.000 1.123 429 F CB 0.893 39.943 39.000 0.084 0.000 1.238 429 F HN 0.078 nan 8.300 nan 0.000 0.536 430 N N 2.521 121.391 118.700 0.283 0.000 2.420 430 N HA 0.251 4.990 4.740 -0.001 0.000 0.249 430 N C -1.249 174.372 175.510 0.185 0.000 1.033 430 N CA -0.443 52.709 53.050 0.170 0.000 0.944 430 N CB 0.349 38.914 38.487 0.130 0.000 1.113 430 N HN 0.292 nan 8.380 nan 0.000 0.502 431 I N 3.675 124.327 120.570 0.138 0.000 2.385 431 I HA 0.221 4.390 4.170 -0.001 0.000 0.294 431 I C -0.029 176.129 176.117 0.069 0.000 0.988 431 I CA -0.811 60.561 61.300 0.121 0.000 1.265 431 I CB 1.221 39.280 38.000 0.098 0.000 1.388 431 I HN 0.523 nan 8.210 nan 0.000 0.480 432 L N 6.629 127.906 121.223 0.091 0.000 2.264 432 L HA 0.719 5.058 4.340 -0.001 0.000 0.287 432 L C 0.298 177.176 176.870 0.014 0.000 1.039 432 L CA 0.729 55.575 54.840 0.009 0.000 0.829 432 L CB 0.361 42.422 42.059 0.003 0.000 1.211 432 L HN 0.910 nan 8.230 nan 0.000 0.427 433 G N 4.174 112.868 108.800 -0.176 0.000 2.472 433 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.205 433 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.205 433 G C -0.439 174.413 174.900 -0.081 0.000 1.270 433 G CA -0.440 44.501 45.100 -0.265 0.000 0.974 433 G HN 0.647 nan 8.290 nan 0.000 0.542 434 I N 3.720 124.282 120.570 -0.014 0.000 2.517 434 I HA 0.274 4.444 4.170 -0.001 0.000 0.285 434 I C -1.213 174.998 176.117 0.157 0.000 1.106 434 I CA -1.221 60.095 61.300 0.027 0.000 1.402 434 I CB 0.956 38.927 38.000 -0.049 0.000 1.399 434 I HN 0.371 nan 8.210 nan 0.000 0.535 435 P HA 0.267 nan 4.420 nan 0.000 0.278 435 P C -0.518 176.721 177.300 -0.100 0.000 1.258 435 P CA -0.564 62.551 63.100 0.025 0.000 0.811 435 P CB 1.254 32.951 31.700 -0.005 0.000 1.063 436 L N 1.813 122.840 121.223 -0.327 0.000 2.464 436 L HA 0.239 4.578 4.340 -0.001 0.000 0.264 436 L C -1.800 174.779 176.870 -0.486 0.000 1.199 436 L CA -1.707 52.714 54.840 -0.698 0.000 0.818 436 L CB -0.393 41.314 42.059 -0.586 0.000 1.102 436 L HN 0.263 nan 8.230 nan 0.000 0.473 437 P HA 0.085 nan 4.420 nan 0.000 0.271 437 P C -0.208 176.965 177.300 -0.210 0.000 1.218 437 P CA -0.166 62.697 63.100 -0.395 0.000 0.780 437 P CB 0.630 32.019 31.700 -0.518 0.000 0.901 438 K N 0.627 120.972 120.400 -0.093 0.000 2.025 438 K HA -0.099 4.221 4.320 -0.001 0.000 0.207 438 K C 0.746 177.360 176.600 0.022 0.000 1.049 438 K CA 1.007 57.277 56.287 -0.028 0.000 0.933 438 K CB -0.230 32.260 32.500 -0.016 0.000 0.714 438 K HN 0.506 nan 8.250 nan 0.000 0.438 439 D N 1.499 121.923 120.400 0.040 0.000 2.342 439 D HA -0.032 4.607 4.640 -0.001 0.000 0.260 439 D C 0.532 176.942 176.300 0.182 0.000 1.278 439 D CA 0.173 54.219 54.000 0.077 0.000 0.910 439 D CB 0.874 41.709 40.800 0.058 0.000 1.079 439 D HN 0.004 nan 8.370 nan 0.000 0.496 440 Q N 1.989 121.868 119.800 0.133 0.000 2.515 440 Q HA -0.039 4.300 4.340 -0.001 0.000 0.212 440 Q C 1.376 177.332 176.000 -0.073 0.000 0.970 440 Q CA 0.663 56.528 55.803 0.102 0.000 0.941 440 Q CB -0.024 28.723 28.738 0.015 0.000 0.998 440 Q HN 0.623 nan 8.270 nan 0.000 0.518 441 T N -3.901 110.648 114.554 -0.008 0.000 3.044 441 T HA 0.062 4.411 4.350 -0.001 0.000 0.260 441 T C 0.375 175.070 174.700 -0.009 0.000 1.019 441 T CA -0.399 61.669 62.100 -0.054 0.000 0.921 441 T CB 0.263 69.112 68.868 -0.031 0.000 1.053 441 T HN -0.155 nan 8.240 nan 0.000 0.533 442 D N 2.217 122.670 120.400 0.088 0.000 2.517 442 D HA 0.166 4.805 4.640 -0.001 0.000 0.220 442 D C 0.195 176.610 176.300 0.191 0.000 1.158 442 D CA -0.258 53.815 54.000 0.122 0.000 0.992 442 D CB 0.466 41.344 40.800 0.131 0.000 1.058 442 D HN 0.085 nan 8.370 nan 0.000 0.516 443 D N 2.214 122.655 120.400 0.069 0.000 2.104 443 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 443 D C 1.910 178.276 176.300 0.109 0.000 0.994 443 D CA 1.433 55.467 54.000 0.055 0.000 0.830 443 D CB -0.071 40.721 40.800 -0.013 0.000 0.959 443 D HN 0.510 nan 8.370 nan 0.000 0.452 444 A N 0.817 123.680 122.820 0.072 0.000 1.940 444 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 444 A C 2.291 179.914 177.584 0.065 0.000 1.176 444 A CA 2.310 54.378 52.037 0.052 0.000 0.631 444 A CB -0.756 18.262 19.000 0.029 0.000 0.814 444 A HN 0.249 nan 8.150 nan 0.000 0.446 445 A N -1.487 121.385 122.820 0.087 0.000 1.930 445 A HA 0.046 4.366 4.320 -0.001 0.000 0.217 445 A C 1.915 179.509 177.584 0.016 0.000 1.175 445 A CA 1.376 53.433 52.037 0.034 0.000 0.627 445 A CB -0.659 18.343 19.000 0.003 0.000 0.815 445 A HN 0.454 nan 8.150 nan 0.000 0.443 446 F N 0.307 120.245 119.950 -0.020 0.000 2.259 446 F HA -0.062 4.465 4.527 -0.001 0.000 0.298 446 F C 2.413 178.221 175.800 0.014 0.000 1.088 446 F CA 1.575 59.568 58.000 -0.012 0.000 1.358 446 F CB -0.182 38.774 39.000 -0.073 0.000 1.040 446 F HN 0.313 nan 8.300 nan 0.000 0.505 447 E N -0.659 119.619 120.200 0.130 0.000 2.072 447 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 447 E C 2.119 178.702 176.600 -0.028 0.000 0.985 447 E CA 1.729 58.132 56.400 0.004 0.000 0.801 447 E CB -0.317 29.373 29.700 -0.017 0.000 0.750 447 E HN 0.290 nan 8.360 nan 0.000 0.452 448 T N 0.980 115.536 114.554 0.002 0.000 2.777 448 T HA -0.154 4.195 4.350 -0.001 0.000 0.266 448 T C 1.480 176.157 174.700 -0.039 0.000 1.040 448 T CA 0.993 63.081 62.100 -0.021 0.000 1.141 448 T CB -0.346 68.515 68.868 -0.012 0.000 0.868 448 T HN 0.189 nan 8.240 nan 0.000 0.444 449 F N 1.305 121.161 119.950 -0.156 0.000 2.102 449 F HA -0.173 4.354 4.527 -0.001 0.000 0.298 449 F C 2.450 178.151 175.800 -0.165 0.000 1.105 449 F CA 0.842 58.724 58.000 -0.196 0.000 1.239 449 F CB -0.747 38.066 39.000 -0.312 0.000 0.991 449 F HN 0.148 nan 8.300 nan 0.000 0.474 450 c N 1.102 119.671 118.600 -0.051 0.000 2.413 450 c HA -0.165 4.404 4.570 -0.001 0.000 0.276 450 c C 2.851 176.826 174.090 -0.192 0.000 1.236 450 c CA 1.393 57.624 56.329 -0.164 0.000 1.735 450 c CB -1.288 41.078 42.510 -0.239 0.000 2.031 450 c HN 0.473 nan 8.230 nan 0.000 0.474 451 R N 0.570 120.968 120.500 -0.170 0.000 2.066 451 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 451 R C 2.043 178.306 176.300 -0.062 0.000 1.131 451 R CA 1.338 57.421 56.100 -0.028 0.000 0.955 451 R CB -0.329 29.958 30.300 -0.022 0.000 0.851 451 R HN 0.668 nan 8.270 nan 0.000 0.432 452 E N 0.065 120.174 120.200 -0.151 0.000 2.358 452 E HA -0.063 4.286 4.350 -0.001 0.000 0.195 452 E C 1.420 177.876 176.600 -0.240 0.000 1.010 452 E CA 1.162 57.466 56.400 -0.160 0.000 0.856 452 E CB 0.277 29.892 29.700 -0.142 0.000 0.795 452 E HN 0.297 nan 8.360 nan 0.000 0.504 453 S N -0.036 115.407 115.700 -0.427 0.000 2.539 453 S HA 0.103 4.572 4.470 -0.001 0.000 0.221 453 S C 0.700 175.053 174.600 -0.411 0.000 0.987 453 S CA -0.518 57.367 58.200 -0.525 0.000 0.929 453 S CB 0.307 62.863 63.200 -1.073 0.000 0.832 453 S HN 0.018 nan 8.310 nan 0.000 0.492 454 V N 2.273 122.024 119.914 -0.272 0.000 2.901 454 V HA 0.542 4.661 4.120 -0.001 0.000 0.307 454 V C 0.345 176.315 176.094 -0.206 0.000 1.084 454 V CA 0.814 62.995 62.300 -0.198 0.000 1.184 454 V CB 0.549 32.280 31.823 -0.153 0.000 0.941 454 V HN 0.773 nan 8.190 nan 0.000 0.493 455 A N 4.593 127.302 122.820 -0.186 0.000 2.552 455 A HA 0.787 5.106 4.320 -0.001 0.000 0.288 455 A C -0.471 176.936 177.584 -0.296 0.000 1.193 455 A CA -0.090 51.831 52.037 -0.194 0.000 0.713 455 A CB 1.676 20.659 19.000 -0.030 0.000 1.305 455 A HN 1.037 nan 8.150 nan 0.000 0.424 456 S N -1.523 114.000 115.700 -0.295 0.000 2.554 456 S HA 0.458 4.927 4.470 -0.001 0.000 0.278 456 S C -0.127 174.093 174.600 -0.632 0.000 1.242 456 S CA -0.197 57.858 58.200 -0.242 0.000 1.051 456 S CB 0.482 63.680 63.200 -0.002 0.000 0.986 456 S HN 0.656 nan 8.310 nan 0.000 0.502 457 Y N 3.427 123.423 120.300 -0.507 0.000 2.490 457 Y HA 0.159 4.708 4.550 -0.001 0.000 0.281 457 Y C 0.235 175.782 175.900 -0.589 0.000 1.174 457 Y CA 0.459 58.115 58.100 -0.741 0.000 1.295 457 Y CB 0.165 38.306 38.460 -0.532 0.000 1.062 457 Y HN 0.852 nan 8.280 nan 0.000 0.522 458 W N -1.063 120.298 121.300 0.101 0.000 2.869 458 W HA -0.296 4.364 4.660 -0.001 0.000 0.285 458 W C -0.086 176.494 176.519 0.101 0.000 1.098 458 W CA 1.091 58.546 57.345 0.184 0.000 0.571 458 W CB -2.674 26.896 29.460 0.185 0.000 2.131 458 W HN 0.441 nan 8.180 nan 0.000 1.367 459 H N -0.031 119.143 119.070 0.173 0.000 2.550 459 H HA 0.145 4.700 4.556 -0.001 0.000 0.304 459 H C 1.027 176.443 175.328 0.146 0.000 1.086 459 H CA -0.242 55.865 56.048 0.097 0.000 1.089 459 H CB -0.308 29.553 29.762 0.165 0.000 1.528 459 H HN 0.041 nan 8.280 nan 0.000 0.539 460 Y N 1.189 121.729 120.300 0.400 0.000 2.652 460 Y HA 0.111 4.660 4.550 -0.001 0.000 0.344 460 Y C 0.713 176.839 175.900 0.376 0.000 1.254 460 Y CA -0.627 57.601 58.100 0.213 0.000 1.480 460 Y CB 0.272 38.776 38.460 0.074 0.000 1.345 460 Y HN 0.237 nan 8.280 nan 0.000 0.617 461 H N -0.669 118.652 119.070 0.419 0.000 2.918 461 H HA 0.658 5.214 4.556 -0.001 0.000 0.303 461 H C 0.142 175.665 175.328 0.324 0.000 1.380 461 H CA -1.127 55.116 56.048 0.325 0.000 1.134 461 H CB 1.162 31.099 29.762 0.292 0.000 1.842 461 H HN 1.407 nan 8.280 nan 0.000 0.533 462 G N -1.457 107.529 108.800 0.310 0.000 2.660 462 G HA2 0.297 4.256 3.960 -0.001 0.000 0.247 462 G HA3 0.297 4.256 3.960 -0.001 0.000 0.247 462 G C 0.647 175.658 174.900 0.186 0.000 1.328 462 G CA 1.563 46.804 45.100 0.235 0.000 0.884 462 G HN 2.001 nan 8.290 nan 0.000 0.531 463 G N -2.834 106.070 108.800 0.174 0.000 2.213 463 G HA2 0.075 4.035 3.960 -0.001 0.000 0.226 463 G HA3 0.075 4.035 3.960 -0.001 0.000 0.226 463 G C 1.119 176.066 174.900 0.079 0.000 0.992 463 G CA 1.625 46.791 45.100 0.109 0.000 0.632 463 G HN 2.482 nan 8.290 nan 0.000 0.511 464 C N 2.304 121.647 119.300 0.071 0.000 3.319 464 C HA 0.566 5.025 4.460 -0.001 0.000 0.200 464 C C 0.684 175.669 174.990 -0.009 0.000 1.332 464 C CA -1.001 58.036 59.018 0.031 0.000 1.170 464 C CB -1.532 26.210 27.740 0.003 0.000 1.855 464 C HN 0.444 nan 8.230 nan 0.000 0.593 465 L N 2.073 123.304 121.223 0.013 0.000 2.456 465 L HA 0.265 4.604 4.340 -0.001 0.000 0.272 465 L C 0.601 177.378 176.870 -0.155 0.000 1.189 465 L CA 0.053 54.837 54.840 -0.093 0.000 0.846 465 L CB 0.552 42.552 42.059 -0.098 0.000 1.111 465 L HN 0.102 nan 8.230 nan 0.000 0.475 466 V N 2.729 122.473 119.914 -0.284 0.000 2.585 466 V HA 0.230 4.349 4.120 -0.001 0.000 0.296 466 V C 1.119 177.111 176.094 -0.171 0.000 1.035 466 V CA 1.449 63.573 62.300 -0.293 0.000 1.084 466 V CB 0.614 32.186 31.823 -0.418 0.000 0.953 466 V HN 1.132 nan 8.190 nan 0.000 0.483 467 G N 4.403 113.127 108.800 -0.128 0.000 2.194 467 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.236 467 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.236 467 G C 0.857 175.705 174.900 -0.087 0.000 0.987 467 G CA 0.372 45.413 45.100 -0.098 0.000 0.635 467 G HN 0.579 nan 8.290 nan 0.000 0.520 468 K N -0.872 119.493 120.400 -0.059 0.000 2.410 468 K HA 0.474 4.793 4.320 -0.001 0.000 0.204 468 K C 2.127 178.885 176.600 0.263 0.000 1.268 468 K CA 1.235 57.530 56.287 0.013 0.000 0.896 468 K CB -0.038 32.402 32.500 -0.100 0.000 1.401 468 K HN 0.377 nan 8.250 nan 0.000 0.479 469 V N 1.292 121.307 119.914 0.169 0.000 3.151 469 V HA 0.234 4.353 4.120 -0.001 0.000 0.241 469 V C 0.981 177.122 176.094 0.079 0.000 1.173 469 V CA 0.268 62.668 62.300 0.168 0.000 1.154 469 V CB 0.478 32.306 31.823 0.009 0.000 0.898 469 V HN -0.001 nan 8.190 nan 0.000 0.473 470 L N 1.111 122.330 121.223 -0.008 0.000 2.332 470 L HA 0.570 4.910 4.340 -0.001 0.000 0.269 470 L C -0.347 176.467 176.870 -0.094 0.000 1.016 470 L CA -0.832 53.974 54.840 -0.057 0.000 0.809 470 L CB 1.291 43.275 42.059 -0.126 0.000 1.280 470 L HN 0.272 nan 8.230 nan 0.000 0.447 471 D N -0.084 120.254 120.400 -0.104 0.000 2.539 471 D HA 0.173 4.812 4.640 -0.001 0.000 0.276 471 D C 1.109 177.260 176.300 -0.247 0.000 1.206 471 D CA -0.403 53.524 54.000 -0.121 0.000 1.081 471 D CB 0.701 41.467 40.800 -0.057 0.000 1.142 471 D HN 0.547 nan 8.370 nan 0.000 0.595 472 G N -1.349 107.326 108.800 -0.208 0.000 2.535 472 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.218 472 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.218 472 G C 0.468 175.185 174.900 -0.305 0.000 1.122 472 G CA 0.373 45.304 45.100 -0.281 0.000 0.769 472 G HN 0.507 nan 8.290 nan 0.000 0.549 473 D N -0.319 119.980 120.400 -0.170 0.000 2.402 473 D HA 0.169 4.809 4.640 -0.001 0.000 0.216 473 D C 0.336 176.759 176.300 0.205 0.000 1.128 473 D CA -0.531 53.488 54.000 0.031 0.000 0.833 473 D CB 0.153 40.972 40.800 0.032 0.000 0.971 473 D HN 0.259 nan 8.370 nan 0.000 0.503 474 F N 0.283 120.198 119.950 -0.059 0.000 2.953 474 F HA -0.278 4.249 4.527 -0.001 0.000 0.292 474 F C 0.627 176.403 175.800 -0.040 0.000 0.747 474 F CA 0.362 58.324 58.000 -0.063 0.000 1.222 474 F CB -1.849 37.114 39.000 -0.061 0.000 1.457 474 F HN -0.084 nan 8.300 nan 0.000 0.383 475 R N 0.301 120.844 120.500 0.073 0.000 2.441 475 R HA 0.533 4.873 4.340 -0.001 0.000 0.284 475 R C -0.047 176.279 176.300 0.043 0.000 1.070 475 R CA -0.788 55.351 56.100 0.064 0.000 1.047 475 R CB 1.281 31.611 30.300 0.052 0.000 1.016 475 R HN -0.041 nan 8.270 nan 0.000 0.477 476 V N 3.416 123.361 119.914 0.051 0.000 2.439 476 V HA -0.018 4.101 4.120 -0.001 0.000 0.271 476 V C 0.874 177.034 176.094 0.111 0.000 1.040 476 V CA -0.141 62.178 62.300 0.032 0.000 1.002 476 V CB 0.747 32.572 31.823 0.004 0.000 1.000 476 V HN 0.902 nan 8.190 nan 0.000 0.477 477 T N 2.364 117.022 114.554 0.173 0.000 2.934 477 T HA 0.384 4.733 4.350 -0.001 0.000 0.306 477 T C 1.328 176.154 174.700 0.210 0.000 1.042 477 T CA 0.327 62.534 62.100 0.178 0.000 1.145 477 T CB 0.951 69.914 68.868 0.157 0.000 0.982 477 T HN 1.736 nan 8.240 nan 0.000 0.544 478 G N 2.531 111.391 108.800 0.099 0.000 2.205 478 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.261 478 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.261 478 G C 0.066 175.009 174.900 0.070 0.000 0.980 478 G CA 0.173 45.310 45.100 0.061 0.000 0.632 478 G HN 0.943 nan 8.290 nan 0.000 0.533 479 I N 1.080 121.713 120.570 0.104 0.000 2.466 479 I HA 0.336 4.505 4.170 -0.001 0.000 0.289 479 I C -0.647 175.539 176.117 0.116 0.000 1.026 479 I CA -1.124 60.247 61.300 0.118 0.000 1.078 479 I CB 1.755 39.856 38.000 0.169 0.000 1.249 479 I HN -0.067 nan 8.210 nan 0.000 0.429 480 N N 4.069 122.835 118.700 0.109 0.000 2.493 480 N HA 0.406 5.145 4.740 -0.001 0.000 0.275 480 N C 0.645 176.208 175.510 0.089 0.000 1.186 480 N CA 0.125 53.225 53.050 0.084 0.000 0.978 480 N CB 1.508 40.033 38.487 0.063 0.000 1.184 480 N HN 0.865 nan 8.380 nan 0.000 0.487 481 A N -0.304 122.552 122.820 0.060 0.000 2.832 481 A HA -0.208 4.112 4.320 -0.001 0.000 0.280 481 A C -0.377 177.240 177.584 0.054 0.000 1.464 481 A CA 0.714 52.777 52.037 0.044 0.000 0.804 481 A CB -2.009 17.001 19.000 0.017 0.000 1.020 481 A HN 0.484 nan 8.150 nan 0.000 0.563 482 L N -0.749 120.519 121.223 0.076 0.000 2.476 482 L HA 0.796 5.136 4.340 -0.001 0.000 0.269 482 L C -0.188 176.726 176.870 0.073 0.000 0.965 482 L CA -0.293 54.592 54.840 0.076 0.000 0.845 482 L CB 1.439 43.572 42.059 0.123 0.000 1.259 482 L HN 0.371 nan 8.230 nan 0.000 0.403 483 R N 3.182 123.719 120.500 0.061 0.000 2.888 483 R HA 0.887 5.227 4.340 -0.001 0.000 0.264 483 R C -1.619 174.711 176.300 0.050 0.000 1.045 483 R CA -1.151 54.990 56.100 0.069 0.000 0.962 483 R CB 2.477 32.822 30.300 0.075 0.000 1.210 483 R HN 0.350 nan 8.270 nan 0.000 0.479 484 V N 1.496 121.452 119.914 0.071 0.000 2.577 484 V HA 0.397 4.516 4.120 -0.001 0.000 0.303 484 V C -0.995 175.125 176.094 0.044 0.000 1.042 484 V CA -0.690 61.636 62.300 0.043 0.000 0.872 484 V CB 2.124 33.969 31.823 0.037 0.000 0.998 484 V HN 0.456 nan 8.190 nan 0.000 0.423 485 V N 5.043 124.933 119.914 -0.039 0.000 2.498 485 V HA 0.724 4.843 4.120 -0.001 0.000 0.283 485 V C -0.789 175.245 176.094 -0.100 0.000 1.015 485 V CA -0.378 61.843 62.300 -0.132 0.000 0.867 485 V CB 1.316 33.006 31.823 -0.222 0.000 1.025 485 V HN 1.135 nan 8.190 nan 0.000 0.441 486 D N 3.056 123.403 120.400 -0.089 0.000 3.250 486 D HA 0.186 4.825 4.640 -0.001 0.000 0.360 486 D C 1.062 177.207 176.300 -0.259 0.000 1.486 486 D CA 0.121 54.036 54.000 -0.141 0.000 0.835 486 D CB 0.633 41.374 40.800 -0.099 0.000 1.444 486 D HN 0.357 nan 8.370 nan 0.000 0.513 487 G N -0.925 107.570 108.800 -0.508 0.000 2.776 487 G HA2 0.019 3.979 3.960 -0.001 0.000 0.209 487 G HA3 0.019 3.979 3.960 -0.001 0.000 0.209 487 G C 1.024 175.870 174.900 -0.091 0.000 1.145 487 G CA 1.055 45.732 45.100 -0.705 0.000 0.791 487 G HN 0.667 nan 8.290 nan 0.000 0.530 488 S N -0.036 115.651 115.700 -0.022 0.000 2.562 488 S HA -0.063 4.406 4.470 -0.001 0.000 0.221 488 S C 2.095 176.714 174.600 0.031 0.000 0.975 488 S CA 1.250 59.485 58.200 0.060 0.000 0.918 488 S CB -0.255 62.970 63.200 0.041 0.000 0.772 488 S HN 0.354 nan 8.310 nan 0.000 0.531 489 T N -1.581 112.953 114.554 -0.033 0.000 3.100 489 T HA 0.358 4.708 4.350 -0.001 0.000 0.253 489 T C 0.030 174.398 174.700 -0.553 0.000 1.118 489 T CA -0.295 61.641 62.100 -0.275 0.000 1.058 489 T CB -0.558 68.111 68.868 -0.332 0.000 0.953 489 T HN 0.344 nan 8.240 nan 0.000 0.515 490 F N 1.069 121.113 119.950 0.158 0.000 2.576 490 F HA 0.470 4.996 4.527 -0.001 0.000 0.313 490 F C -1.835 173.953 175.800 -0.020 0.000 1.078 490 F CA -2.621 55.406 58.000 0.044 0.000 0.921 490 F CB 2.243 41.286 39.000 0.071 0.000 1.232 490 F HN -0.307 nan 8.300 nan 0.000 0.459 491 P HA -0.073 nan 4.420 nan 0.000 0.222 491 P C -0.511 176.361 177.300 -0.713 0.000 1.153 491 P CA 1.348 64.030 63.100 -0.696 0.000 0.798 491 P CB 0.438 31.485 31.700 -1.088 0.000 0.796 492 Y N -1.395 118.865 120.300 -0.068 0.000 2.509 492 Y HA 0.390 4.940 4.550 -0.001 0.000 0.341 492 Y C 1.114 176.766 175.900 -0.414 0.000 1.038 492 Y CA -1.287 56.742 58.100 -0.118 0.000 1.089 492 Y CB 1.364 39.742 38.460 -0.136 0.000 1.241 492 Y HN -0.360 nan 8.280 nan 0.000 0.468 493 T N 4.201 118.578 114.554 -0.295 0.000 2.901 493 T HA 0.076 4.425 4.350 -0.001 0.000 0.301 493 T C -1.229 173.186 174.700 -0.475 0.000 1.012 493 T CA -1.521 60.294 62.100 -0.475 0.000 1.135 493 T CB 0.574 69.300 68.868 -0.236 0.000 0.936 493 T HN 0.524 nan 8.240 nan 0.000 0.539 494 P HA 0.191 nan 4.420 nan 0.000 0.223 494 P C 0.047 176.843 177.300 -0.841 0.000 1.151 494 P CA 0.438 63.006 63.100 -0.886 0.000 0.787 494 P CB 0.280 31.216 31.700 -1.273 0.000 0.788 495 A N -0.662 121.676 122.820 -0.804 0.000 2.483 495 A HA 0.427 4.747 4.320 -0.001 0.000 0.306 495 A C 1.154 178.231 177.584 -0.845 0.000 1.137 495 A CA 0.352 51.729 52.037 -1.101 0.000 0.626 495 A CB -0.223 18.335 19.000 -0.737 0.000 1.352 495 A HN -0.070 nan 8.150 nan 0.000 0.508 496 S N -0.573 114.684 115.700 -0.738 0.000 2.399 496 S HA -0.019 4.451 4.470 -0.001 0.000 0.231 496 S C 0.476 174.819 174.600 -0.428 0.000 1.022 496 S CA 1.952 59.829 58.200 -0.537 0.000 0.983 496 S CB -0.503 62.597 63.200 -0.167 0.000 0.803 496 S HN 0.751 nan 8.310 nan 0.000 0.480 497 H N 0.980 119.928 119.070 -0.203 0.000 2.924 497 H HA 0.403 4.958 4.556 -0.001 0.000 0.333 497 H C -2.205 172.878 175.328 -0.407 0.000 0.979 497 H CA -1.501 54.415 56.048 -0.220 0.000 1.326 497 H CB 1.967 31.692 29.762 -0.062 0.000 1.600 497 H HN 0.059 nan 8.280 nan 0.000 0.520 498 P HA -0.113 nan 4.420 nan 0.000 0.240 498 P C 1.000 177.958 177.300 -0.571 0.000 1.190 498 P CA 0.501 63.234 63.100 -0.611 0.000 0.781 498 P CB 0.612 31.888 31.700 -0.706 0.000 0.931 499 Q N 0.345 119.984 119.800 -0.268 0.000 2.135 499 Q HA -0.119 4.220 4.340 -0.001 0.000 0.204 499 Q C 2.192 178.153 176.000 -0.066 0.000 0.981 499 Q CA 2.143 57.905 55.803 -0.067 0.000 0.856 499 Q CB -1.670 27.096 28.738 0.047 0.000 0.902 499 Q HN 0.119 nan 8.270 nan 0.000 0.425 500 G N 0.494 109.148 108.800 -0.244 0.000 2.440 500 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.218 500 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.218 500 G C 1.136 176.074 174.900 0.062 0.000 1.154 500 G CA 0.783 45.715 45.100 -0.281 0.000 0.767 500 G HN 0.464 nan 8.290 nan 0.000 0.552 501 F N 0.528 120.356 119.950 -0.204 0.000 2.146 501 F HA 0.036 4.562 4.527 -0.001 0.000 0.298 501 F C 2.498 178.285 175.800 -0.020 0.000 1.096 501 F CA 1.110 59.026 58.000 -0.141 0.000 1.275 501 F CB -0.229 38.542 39.000 -0.382 0.000 1.008 501 F HN 0.276 nan 8.300 nan 0.000 0.480 502 Y N -0.375 119.936 120.300 0.018 0.000 2.293 502 Y HA -0.177 4.372 4.550 -0.001 0.000 0.291 502 Y C 2.323 178.184 175.900 -0.065 0.000 1.137 502 Y CA 0.542 58.613 58.100 -0.048 0.000 1.202 502 Y CB -0.332 38.169 38.460 0.070 0.000 0.990 502 Y HN 0.068 nan 8.280 nan 0.000 0.537 503 L N -0.620 120.689 121.223 0.142 0.000 2.027 503 L HA -0.254 4.085 4.340 -0.001 0.000 0.206 503 L C 2.670 179.581 176.870 0.069 0.000 1.074 503 L CA 0.952 55.876 54.840 0.141 0.000 0.745 503 L CB -0.440 41.750 42.059 0.217 0.000 0.898 503 L HN 0.337 nan 8.230 nan 0.000 0.433 504 M N -0.089 119.503 119.600 -0.013 0.000 2.117 504 M HA -0.217 4.262 4.480 -0.001 0.000 0.262 504 M C 2.345 178.526 176.300 -0.197 0.000 1.065 504 M CA 1.966 57.162 55.300 -0.174 0.000 1.114 504 M CB -0.561 31.720 32.600 -0.533 0.000 1.361 504 M HN 0.254 nan 8.290 nan 0.000 0.408 505 L N 0.904 121.954 121.223 -0.287 0.000 2.043 505 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 505 L C 2.310 179.093 176.870 -0.146 0.000 1.075 505 L CA 2.389 57.088 54.840 -0.236 0.000 0.752 505 L CB -1.384 40.500 42.059 -0.291 0.000 0.891 505 L HN 0.403 nan 8.230 nan 0.000 0.432 506 G N -0.873 107.859 108.800 -0.112 0.000 2.480 506 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.216 506 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.216 506 G C 1.800 176.609 174.900 -0.150 0.000 1.200 506 G CA 0.921 45.953 45.100 -0.112 0.000 0.782 506 G HN 0.457 nan 8.290 nan 0.000 0.554 507 R N -1.070 119.329 120.500 -0.169 0.000 2.092 507 R HA -0.066 4.273 4.340 -0.001 0.000 0.231 507 R C 2.269 178.409 176.300 -0.267 0.000 1.119 507 R CA 1.178 57.088 56.100 -0.317 0.000 0.970 507 R CB -0.541 29.407 30.300 -0.586 0.000 0.864 507 R HN 0.433 nan 8.270 nan 0.000 0.440 508 Y N 0.777 120.914 120.300 -0.271 0.000 2.081 508 Y HA -0.281 4.268 4.550 -0.001 0.000 0.280 508 Y C 1.969 177.748 175.900 -0.202 0.000 1.163 508 Y CA 2.157 60.138 58.100 -0.199 0.000 1.135 508 Y CB -0.341 38.064 38.460 -0.092 0.000 0.970 508 Y HN -0.122 nan 8.280 nan 0.000 0.498 509 V N 0.117 119.962 119.914 -0.114 0.000 2.515 509 V HA -0.235 3.884 4.120 -0.001 0.000 0.250 509 V C 2.588 178.526 176.094 -0.260 0.000 1.058 509 V CA 1.707 63.875 62.300 -0.220 0.000 1.064 509 V CB -1.550 30.081 31.823 -0.320 0.000 0.675 509 V HN 0.659 nan 8.190 nan 0.000 0.461 510 G N 0.342 108.982 108.800 -0.266 0.000 2.440 510 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.218 510 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.218 510 G C 1.470 176.203 174.900 -0.278 0.000 1.154 510 G CA 0.848 45.780 45.100 -0.279 0.000 0.767 510 G HN 0.385 nan 8.290 nan 0.000 0.552 511 I N 0.767 121.146 120.570 -0.318 0.000 2.315 511 I HA -0.056 4.113 4.170 -0.001 0.000 0.248 511 I C 2.528 178.478 176.117 -0.278 0.000 1.117 511 I CA 1.005 62.125 61.300 -0.301 0.000 1.404 511 I CB -0.629 37.160 38.000 -0.352 0.000 1.071 511 I HN 0.093 nan 8.210 nan 0.000 0.419 512 K N 0.774 120.969 120.400 -0.342 0.000 2.097 512 K HA -0.060 4.259 4.320 -0.001 0.000 0.206 512 K C 2.118 178.626 176.600 -0.155 0.000 1.049 512 K CA 1.150 57.280 56.287 -0.262 0.000 0.933 512 K CB -0.408 31.933 32.500 -0.266 0.000 0.717 512 K HN 0.348 nan 8.250 nan 0.000 0.442 513 I N 0.955 121.430 120.570 -0.159 0.000 2.252 513 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 513 I C 2.274 178.349 176.117 -0.070 0.000 1.102 513 I CA 0.913 62.145 61.300 -0.114 0.000 1.385 513 I CB -0.244 37.641 38.000 -0.191 0.000 1.064 513 I HN 0.030 nan 8.210 nan 0.000 0.414 514 L N 0.045 121.218 121.223 -0.084 0.000 2.083 514 L HA -0.232 4.108 4.340 -0.001 0.000 0.209 514 L C 2.634 179.505 176.870 0.002 0.000 1.083 514 L CA 1.437 56.279 54.840 0.004 0.000 0.752 514 L CB -0.610 41.430 42.059 -0.032 0.000 0.899 514 L HN 0.343 nan 8.230 nan 0.000 0.433 515 Q N -0.346 119.423 119.800 -0.052 0.000 2.119 515 Q HA -0.254 4.086 4.340 -0.001 0.000 0.201 515 Q C 2.039 178.028 176.000 -0.018 0.000 0.972 515 Q CA 1.439 57.216 55.803 -0.043 0.000 0.847 515 Q CB -0.074 28.617 28.738 -0.077 0.000 0.903 515 Q HN 0.511 nan 8.270 nan 0.000 0.433 516 E N 0.587 120.775 120.200 -0.020 0.000 2.072 516 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 516 E C 2.008 178.620 176.600 0.020 0.000 0.985 516 E CA 0.555 56.952 56.400 -0.004 0.000 0.801 516 E CB 0.276 29.971 29.700 -0.009 0.000 0.750 516 E HN 0.107 nan 8.360 nan 0.000 0.452 517 R N 0.177 120.704 120.500 0.045 0.000 2.115 517 R HA -0.000 4.339 4.340 -0.001 0.000 0.230 517 R C 2.431 178.788 176.300 0.095 0.000 1.111 517 R CA 0.822 56.972 56.100 0.085 0.000 0.976 517 R CB -0.658 29.742 30.300 0.166 0.000 0.870 517 R HN 0.109 nan 8.270 nan 0.000 0.445 518 S N 0.861 116.604 115.700 0.073 0.000 2.368 518 S HA -0.079 4.391 4.470 -0.001 0.000 0.225 518 S C 1.955 176.574 174.600 0.032 0.000 1.030 518 S CA 1.236 59.465 58.200 0.049 0.000 0.999 518 S CB -0.074 63.140 63.200 0.023 0.000 0.844 518 S HN 0.471 nan 8.310 nan 0.000 0.459 519 A N 1.183 124.016 122.820 0.021 0.000 2.015 519 A HA -0.024 4.295 4.320 -0.001 0.000 0.219 519 A C 2.117 179.712 177.584 0.017 0.000 1.163 519 A CA 1.634 53.679 52.037 0.013 0.000 0.646 519 A CB -0.460 18.543 19.000 0.006 0.000 0.806 519 A HN 0.582 nan 8.150 nan 0.000 0.448 520 S N -0.629 115.086 115.700 0.024 0.000 2.556 520 S HA 0.094 4.563 4.470 -0.001 0.000 0.216 520 S C 0.183 174.800 174.600 0.029 0.000 0.970 520 S CA -0.378 57.836 58.200 0.022 0.000 0.912 520 S CB -0.185 63.026 63.200 0.018 0.000 0.790 520 S HN 0.413 nan 8.310 nan 0.000 0.504 521 D N 0.000 120.423 120.400 0.039 0.000 6.856 521 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 521 D CA 0.000 54.026 54.000 0.044 0.000 0.868 521 D CB 0.000 40.830 40.800 0.050 0.000 0.688 521 D HN 0.000 nan 8.370 nan 0.000 0.683