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 3do6_1_B DATA FIRST_RESID 0 DATA SEQUENCE GXKPIKEIAD QLELKDDILY PYGHYIAKID HRFLKSLENH EDGKLILVTA DATA SEQUENCE VTPTPAGEGK TTTSIGLSXS LNRIGKKSIV TLREPSLGPT LGLKGGATGG DATA SEQUENCE GRSRVLPSDE INLHFTGDXH AVASAHNLLA AVLDSHIKHG NELKIDITRV DATA SEQUENCE FWKRTXDXND RALRSIVIGL GGSANGFPRE DSFIITAASE VXAILALSEN DATA SEQUENCE XKDLKERLGK IIVALDADRK IVRISDLGIQ GAXAVLLKDA INPNLVQTTE DATA SEQUENCE GTPALIHCGP FANIAHGTNS IIATKXAXKL SEYTVTEAGF GADLGAEKFI DATA SEQUENCE DFVSRVGGFY PNAAVLVATV RALKYHGGAN LKNIHEENLE ALKEGFKNLR DATA SEQUENCE VHVENLRKFN LPVVVALNRF STDTEKEIAY VVKECEKLGV RVAVSEVFKK DATA SEQUENCE GSEGGVELAK AVAEAAKDVE PAYLYEXNDP VEKKIEILAK EIYRAGRVEF DATA SEQUENCE SDTAKNALKF IKKHGFDELP VIVAKTPKSI SHDPSLRGAP EGYTFVVSDL DATA SEQUENCE FVSAGAGFVV ALSGDINLXP GLPKKPNALN XDVDDSGNIV GVS 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.874 174.900 -0.044 0.000 0.946 0 G CA 0.000 45.075 45.100 -0.041 0.000 0.502 3 P HA -0.017 nan 4.420 nan 0.000 0.264 3 P C 0.597 177.971 177.300 0.123 0.000 1.183 3 P CA -0.269 62.919 63.100 0.147 0.000 0.763 3 P CB 0.381 32.094 31.700 0.022 0.000 0.807 4 I N 3.959 124.593 120.570 0.107 0.000 2.399 4 I HA -0.305 3.864 4.170 -0.000 0.000 0.254 4 I C 2.243 178.390 176.117 0.050 0.000 1.146 4 I CA 2.157 63.517 61.300 0.100 0.000 1.412 4 I CB -0.946 37.112 38.000 0.096 0.000 1.076 4 I HN 0.323 nan 8.210 nan 0.000 0.432 5 K N -0.167 120.246 120.400 0.022 0.000 2.147 5 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 5 K C 2.061 178.668 176.600 0.011 0.000 1.049 5 K CA 1.744 58.032 56.287 0.001 0.000 0.936 5 K CB -0.924 31.567 32.500 -0.015 0.000 0.722 5 K HN 0.623 nan 8.250 nan 0.000 0.446 6 E N -0.266 119.951 120.200 0.027 0.000 2.051 6 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 6 E C 1.994 178.613 176.600 0.032 0.000 0.991 6 E CA 1.164 57.581 56.400 0.030 0.000 0.799 6 E CB -0.084 29.642 29.700 0.042 0.000 0.748 6 E HN 0.467 nan 8.360 nan 0.000 0.449 7 I N 0.777 121.374 120.570 0.045 0.000 2.315 7 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 7 I C 2.441 178.577 176.117 0.033 0.000 1.117 7 I CA 0.976 62.304 61.300 0.047 0.000 1.404 7 I CB -1.437 36.602 38.000 0.066 0.000 1.071 7 I HN 0.022 nan 8.210 nan 0.000 0.419 8 A N 0.375 123.208 122.820 0.022 0.000 1.968 8 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 8 A C 1.972 179.553 177.584 -0.004 0.000 1.169 8 A CA 1.443 53.480 52.037 0.000 0.000 0.638 8 A CB -0.451 18.535 19.000 -0.024 0.000 0.812 8 A HN 0.303 nan 8.150 nan 0.000 0.446 9 D N -0.160 120.241 120.400 0.001 0.000 2.144 9 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 9 D C 2.103 178.412 176.300 0.015 0.000 0.978 9 D CA 1.196 55.197 54.000 0.003 0.000 0.833 9 D CB -0.398 40.404 40.800 0.004 0.000 0.961 9 D HN 0.585 nan 8.370 nan 0.000 0.470 10 Q N -0.293 119.520 119.800 0.022 0.000 2.197 10 Q HA -0.090 4.250 4.340 -0.000 0.000 0.207 10 Q C 1.718 177.740 176.000 0.036 0.000 0.984 10 Q CA 0.766 56.587 55.803 0.029 0.000 0.869 10 Q CB 0.053 28.810 28.738 0.033 0.000 0.906 10 Q HN 0.340 nan 8.270 nan 0.000 0.426 11 L N -0.279 120.965 121.223 0.036 0.000 2.693 11 L HA 0.126 4.466 4.340 -0.000 0.000 0.235 11 L C -0.185 176.718 176.870 0.054 0.000 1.127 11 L CA -0.037 54.833 54.840 0.051 0.000 0.914 11 L CB 0.256 42.349 42.059 0.056 0.000 1.193 11 L HN 0.172 nan 8.230 nan 0.000 0.502 12 E N 0.563 120.782 120.200 0.032 0.000 2.637 12 E HA -0.203 4.147 4.350 -0.000 0.000 0.265 12 E C -0.272 176.326 176.600 -0.004 0.000 1.073 12 E CA 0.152 56.567 56.400 0.025 0.000 0.778 12 E CB -1.645 28.087 29.700 0.054 0.000 1.362 12 E HN 0.441 nan 8.360 nan 0.000 0.413 13 L N 0.697 121.892 121.223 -0.047 0.000 2.349 13 L HA 0.223 4.563 4.340 -0.000 0.000 0.275 13 L C 0.720 177.491 176.870 -0.164 0.000 1.115 13 L CA -0.252 54.495 54.840 -0.156 0.000 0.820 13 L CB 0.815 42.775 42.059 -0.165 0.000 1.135 13 L HN -0.167 nan 8.230 nan 0.000 0.445 14 K N 0.643 120.902 120.400 -0.235 0.000 2.110 14 K HA 0.118 4.438 4.320 -0.000 0.000 0.263 14 K C 0.337 176.807 176.600 -0.215 0.000 0.975 14 K CA -0.715 55.461 56.287 -0.184 0.000 0.895 14 K CB 1.529 33.936 32.500 -0.156 0.000 1.060 14 K HN 0.546 nan 8.250 nan 0.000 0.448 15 D N 1.713 122.019 120.400 -0.157 0.000 2.271 15 D HA -0.183 4.456 4.640 -0.000 0.000 0.207 15 D C 1.361 177.539 176.300 -0.203 0.000 0.983 15 D CA 1.532 55.436 54.000 -0.160 0.000 0.878 15 D CB -0.006 40.734 40.800 -0.100 0.000 0.920 15 D HN 0.733 nan 8.370 nan 0.000 0.479 16 D N 0.479 120.766 120.400 -0.188 0.000 2.347 16 D HA -0.114 4.526 4.640 -0.000 0.000 0.215 16 D C 1.809 177.960 176.300 -0.248 0.000 0.976 16 D CA 0.297 54.199 54.000 -0.163 0.000 0.884 16 D CB -0.443 40.295 40.800 -0.102 0.000 0.915 16 D HN 0.465 nan 8.370 nan 0.000 0.526 17 I N -3.307 117.032 120.570 -0.385 0.000 4.147 17 I HA 0.322 4.492 4.170 -0.000 0.000 0.329 17 I C -0.290 175.397 176.117 -0.718 0.000 1.424 17 I CA -0.560 60.442 61.300 -0.497 0.000 1.127 17 I CB 0.235 37.945 38.000 -0.483 0.000 1.128 17 I HN -0.239 nan 8.210 nan 0.000 0.417 18 L N 1.985 122.787 121.223 -0.702 0.000 2.313 18 L HA 0.488 4.828 4.340 -0.000 0.000 0.283 18 L C -1.394 175.091 176.870 -0.641 0.000 1.013 18 L CA -0.767 53.733 54.840 -0.568 0.000 0.816 18 L CB 1.557 43.445 42.059 -0.285 0.000 1.236 18 L HN 0.055 nan 8.230 nan 0.000 0.419 19 Y N 3.799 124.099 120.300 0.001 0.000 2.447 19 Y HA 0.363 4.913 4.550 -0.000 0.000 0.325 19 Y C -2.157 173.754 175.900 0.019 0.000 0.976 19 Y CA -3.223 54.870 58.100 -0.010 0.000 1.280 19 Y CB 0.741 39.210 38.460 0.015 0.000 1.104 19 Y HN 0.362 nan 8.280 nan 0.000 0.486 20 P HA 0.118 nan 4.420 nan 0.000 0.275 20 P C -1.238 176.048 177.300 -0.024 0.000 1.228 20 P CA -0.198 62.943 63.100 0.068 0.000 0.786 20 P CB 1.041 32.752 31.700 0.017 0.000 0.927 21 Y N 1.228 121.533 120.300 0.008 0.000 2.646 21 Y HA 0.467 5.017 4.550 -0.000 0.000 0.334 21 Y C 1.383 177.273 175.900 -0.016 0.000 1.004 21 Y CA 0.437 58.532 58.100 -0.008 0.000 1.301 21 Y CB 0.946 39.392 38.460 -0.023 0.000 1.093 21 Y HN 0.855 nan 8.280 nan 0.000 0.530 22 G N 1.396 110.201 108.800 0.008 0.000 2.569 22 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.259 22 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.259 22 G C 0.425 175.234 174.900 -0.151 0.000 1.263 22 G CA 0.459 45.467 45.100 -0.154 0.000 0.928 22 G HN 0.795 nan 8.290 nan 0.000 0.572 23 H N -0.969 117.976 119.070 -0.208 0.000 2.592 23 H HA 0.307 4.863 4.556 -0.000 0.000 0.265 23 H C 1.142 176.111 175.328 -0.599 0.000 0.955 23 H CA 0.977 56.721 56.048 -0.507 0.000 1.175 23 H CB 0.407 29.643 29.762 -0.876 0.000 1.433 23 H HN 0.383 nan 8.280 nan 0.000 0.537 24 Y N -0.127 120.278 120.300 0.174 0.000 2.675 24 Y HA 0.384 4.933 4.550 -0.000 0.000 0.248 24 Y C -0.357 175.627 175.900 0.139 0.000 1.161 24 Y CA -0.394 57.789 58.100 0.140 0.000 1.203 24 Y CB 0.761 39.297 38.460 0.126 0.000 1.262 24 Y HN -0.036 nan 8.280 nan 0.000 0.544 25 I N 0.063 120.780 120.570 0.245 0.000 2.802 25 I HA 0.784 4.954 4.170 -0.000 0.000 0.298 25 I C -0.771 175.453 176.117 0.177 0.000 1.176 25 I CA -1.255 60.172 61.300 0.213 0.000 1.025 25 I CB 2.334 40.463 38.000 0.214 0.000 1.243 25 I HN -0.085 nan 8.210 nan 0.000 0.424 26 A N 4.479 127.380 122.820 0.135 0.000 2.515 26 A HA 0.681 5.001 4.320 -0.000 0.000 0.298 26 A C -1.178 176.466 177.584 0.099 0.000 1.059 26 A CA -0.786 51.342 52.037 0.152 0.000 0.698 26 A CB 1.652 20.696 19.000 0.073 0.000 1.289 26 A HN 0.644 nan 8.150 nan 0.000 0.404 27 K N 0.972 121.493 120.400 0.201 0.000 2.185 27 K HA 0.550 4.870 4.320 -0.000 0.000 0.271 27 K C -0.958 175.704 176.600 0.103 0.000 1.013 27 K CA 0.019 56.399 56.287 0.154 0.000 0.943 27 K CB 0.992 33.679 32.500 0.312 0.000 0.998 27 K HN 0.583 nan 8.250 nan 0.000 0.468 28 I N 1.694 122.293 120.570 0.048 0.000 2.354 28 I HA 0.060 4.230 4.170 -0.000 0.000 0.292 28 I C 0.259 176.432 176.117 0.093 0.000 0.989 28 I CA -0.754 60.540 61.300 -0.011 0.000 1.188 28 I CB 1.379 39.381 38.000 0.004 0.000 1.342 28 I HN 0.523 nan 8.210 nan 0.000 0.457 29 D N 6.030 126.472 120.400 0.070 0.000 2.487 29 D HA -0.097 4.542 4.640 -0.000 0.000 0.243 29 D C 1.446 177.845 176.300 0.165 0.000 1.154 29 D CA 0.300 54.425 54.000 0.208 0.000 0.876 29 D CB 0.765 41.661 40.800 0.160 0.000 1.161 29 D HN 0.647 nan 8.370 nan 0.000 0.478 30 H N 4.459 123.615 119.070 0.144 0.000 2.457 30 H HA -0.035 4.521 4.556 -0.000 0.000 0.294 30 H C 1.148 176.552 175.328 0.127 0.000 1.064 30 H CA 0.615 56.736 56.048 0.121 0.000 1.330 30 H CB 0.032 29.856 29.762 0.104 0.000 1.395 30 H HN 0.409 nan 8.280 nan 0.000 0.541 31 R N -0.369 119.845 120.500 -0.477 0.000 2.237 31 R HA -0.071 4.269 4.340 -0.000 0.000 0.219 31 R C 1.807 178.099 176.300 -0.015 0.000 1.080 31 R CA 0.865 56.791 56.100 -0.291 0.000 0.995 31 R CB -0.399 29.722 30.300 -0.298 0.000 0.875 31 R HN 0.218 nan 8.270 nan 0.000 0.462 32 F N 1.388 121.276 119.950 -0.104 0.000 2.216 32 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 32 F C 1.804 177.565 175.800 -0.065 0.000 1.085 32 F CA 0.866 58.821 58.000 -0.074 0.000 1.326 32 F CB -0.219 38.742 39.000 -0.065 0.000 1.027 32 F HN -0.043 nan 8.300 nan 0.000 0.497 33 L N 1.023 122.195 121.223 -0.085 0.000 2.046 33 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 33 L C 2.357 179.119 176.870 -0.180 0.000 1.077 33 L CA 2.216 56.961 54.840 -0.158 0.000 0.747 33 L CB -1.086 40.975 42.059 0.004 0.000 0.896 33 L HN 0.139 nan 8.230 nan 0.000 0.432 34 K N -0.916 119.423 120.400 -0.102 0.000 2.211 34 K HA -0.072 4.248 4.320 -0.000 0.000 0.203 34 K C 1.936 178.464 176.600 -0.119 0.000 1.050 34 K CA 1.517 57.758 56.287 -0.076 0.000 0.945 34 K CB -0.228 32.254 32.500 -0.030 0.000 0.732 34 K HN 0.366 nan 8.250 nan 0.000 0.451 35 S N 0.317 115.903 115.700 -0.191 0.000 2.423 35 S HA 0.016 4.486 4.470 -0.000 0.000 0.231 35 S C 1.196 175.609 174.600 -0.310 0.000 1.014 35 S CA 0.852 58.930 58.200 -0.202 0.000 0.965 35 S CB -0.079 63.001 63.200 -0.201 0.000 0.785 35 S HN 0.294 nan 8.310 nan 0.000 0.495 36 L N 1.659 122.587 121.223 -0.492 0.000 2.653 36 L HA 0.146 4.485 4.340 -0.000 0.000 0.231 36 L C 2.000 178.712 176.870 -0.264 0.000 1.153 36 L CA 0.070 54.487 54.840 -0.704 0.000 0.933 36 L CB -0.316 41.267 42.059 -0.793 0.000 1.175 36 L HN 0.427 nan 8.230 nan 0.000 0.473 37 E N -0.857 119.280 120.200 -0.105 0.000 2.338 37 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 37 E C 0.954 177.590 176.600 0.059 0.000 1.007 37 E CA 0.755 57.145 56.400 -0.016 0.000 0.849 37 E CB 0.016 29.706 29.700 -0.016 0.000 0.774 37 E HN 0.380 nan 8.360 nan 0.000 0.506 38 N N 0.134 118.926 118.700 0.155 0.000 2.205 38 N HA 0.066 4.806 4.740 -0.000 0.000 0.201 38 N C -0.585 174.996 175.510 0.119 0.000 1.128 38 N CA 0.097 53.217 53.050 0.116 0.000 0.867 38 N CB 0.308 38.838 38.487 0.072 0.000 0.996 38 N HN 0.231 nan 8.380 nan 0.000 0.503 39 H N 0.156 119.201 119.070 -0.042 0.000 2.509 39 H HA 0.169 4.725 4.556 -0.000 0.000 0.359 39 H C 0.420 175.732 175.328 -0.027 0.000 1.253 39 H CA -0.562 55.465 56.048 -0.037 0.000 1.373 39 H CB 0.580 30.310 29.762 -0.053 0.000 1.555 39 H HN -0.046 nan 8.280 nan 0.000 0.586 40 E N 0.715 120.979 120.200 0.107 0.000 2.249 40 E HA 0.156 4.506 4.350 -0.000 0.000 0.280 40 E C -0.818 175.807 176.600 0.042 0.000 1.016 40 E CA -1.103 55.325 56.400 0.047 0.000 0.830 40 E CB 0.571 30.279 29.700 0.014 0.000 1.081 40 E HN 0.512 nan 8.360 nan 0.000 0.395 41 D N 2.222 122.639 120.400 0.028 0.000 2.350 41 D HA 0.335 4.975 4.640 -0.000 0.000 0.249 41 D C 0.792 177.083 176.300 -0.016 0.000 1.119 41 D CA 0.422 54.430 54.000 0.014 0.000 0.886 41 D CB 1.365 42.184 40.800 0.032 0.000 1.195 41 D HN 0.707 nan 8.370 nan 0.000 0.437 42 G N 1.415 110.191 108.800 -0.040 0.000 2.553 42 G HA2 0.237 4.196 3.960 -0.000 0.000 0.278 42 G HA3 0.237 4.196 3.960 -0.000 0.000 0.278 42 G C -0.064 174.761 174.900 -0.126 0.000 1.349 42 G CA -0.487 44.552 45.100 -0.101 0.000 1.037 42 G HN 0.255 nan 8.290 nan 0.000 0.508 43 K N -1.057 119.196 120.400 -0.245 0.000 2.185 43 K HA 0.442 4.762 4.320 -0.000 0.000 0.271 43 K C -0.626 175.893 176.600 -0.134 0.000 1.013 43 K CA -0.354 55.795 56.287 -0.229 0.000 0.943 43 K CB 1.459 33.690 32.500 -0.448 0.000 0.998 43 K HN 0.200 nan 8.250 nan 0.000 0.468 44 L N 4.263 125.451 121.223 -0.058 0.000 2.298 44 L HA 0.417 4.757 4.340 -0.000 0.000 0.284 44 L C -1.443 175.419 176.870 -0.012 0.000 1.013 44 L CA -0.490 54.322 54.840 -0.047 0.000 0.824 44 L CB 0.897 42.917 42.059 -0.066 0.000 1.221 44 L HN 0.474 nan 8.230 nan 0.000 0.418 45 I N 6.182 126.746 120.570 -0.010 0.000 2.312 45 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 45 I C -0.343 175.696 176.117 -0.129 0.000 1.008 45 I CA -0.750 60.539 61.300 -0.018 0.000 1.226 45 I CB 1.223 39.252 38.000 0.048 0.000 1.371 45 I HN 0.493 nan 8.210 nan 0.000 0.468 46 L N 8.813 129.923 121.223 -0.188 0.000 2.260 46 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 46 L C -0.388 176.343 176.870 -0.232 0.000 1.057 46 L CA -0.033 54.597 54.840 -0.351 0.000 0.811 46 L CB 1.091 42.874 42.059 -0.460 0.000 1.184 46 L HN 0.303 nan 8.230 nan 0.000 0.429 47 V N 5.236 125.014 119.914 -0.227 0.000 2.394 47 V HA 0.656 4.776 4.120 -0.000 0.000 0.282 47 V C 0.382 176.389 176.094 -0.145 0.000 1.031 47 V CA -0.211 62.002 62.300 -0.145 0.000 0.881 47 V CB 0.939 32.699 31.823 -0.106 0.000 0.982 47 V HN 0.948 nan 8.190 nan 0.000 0.451 48 T N 2.710 117.198 114.554 -0.110 0.000 2.618 48 T HA 0.920 5.270 4.350 -0.000 0.000 0.286 48 T C -1.066 173.579 174.700 -0.093 0.000 1.027 48 T CA 0.221 62.262 62.100 -0.098 0.000 1.063 48 T CB 2.027 70.841 68.868 -0.090 0.000 1.440 48 T HN 1.192 nan 8.240 nan 0.000 0.505 49 A N 0.297 123.042 122.820 -0.125 0.000 2.586 49 A HA 0.709 5.029 4.320 -0.000 0.000 0.290 49 A C -0.194 177.216 177.584 -0.291 0.000 1.086 49 A CA -0.150 51.801 52.037 -0.142 0.000 0.665 49 A CB 0.419 19.367 19.000 -0.087 0.000 1.279 49 A HN 1.610 nan 8.150 nan 0.000 0.423 50 V N -1.198 118.580 119.914 -0.228 0.000 3.503 50 V HA 0.491 4.611 4.120 -0.000 0.000 0.300 50 V C 0.583 176.570 176.094 -0.178 0.000 1.099 50 V CA 0.237 62.376 62.300 -0.267 0.000 1.117 50 V CB -0.168 31.626 31.823 -0.048 0.000 1.122 50 V HN 0.989 nan 8.190 nan 0.000 0.476 51 T N 4.672 119.208 114.554 -0.031 0.000 2.778 51 T HA 0.161 4.511 4.350 -0.000 0.000 0.282 51 T C -2.193 172.636 174.700 0.214 0.000 0.983 51 T CA 0.088 62.263 62.100 0.124 0.000 1.193 51 T CB -0.127 68.817 68.868 0.126 0.000 0.938 51 T HN 0.823 nan 8.240 nan 0.000 0.523 52 P HA 0.145 nan 4.420 nan 0.000 0.268 52 P C 0.031 177.283 177.300 -0.081 0.000 1.205 52 P CA -0.187 62.914 63.100 0.000 0.000 0.771 52 P CB 0.445 32.138 31.700 -0.012 0.000 0.858 53 T N -0.657 113.764 114.554 -0.221 0.000 2.907 53 T HA 0.538 4.888 4.350 -0.000 0.000 0.290 53 T C -2.196 172.230 174.700 -0.455 0.000 1.066 53 T CA -2.171 59.597 62.100 -0.553 0.000 1.012 53 T CB 1.225 69.576 68.868 -0.862 0.000 1.184 53 T HN 0.027 nan 8.240 nan 0.000 0.522 54 P HA 0.210 nan 4.420 nan 0.000 0.234 54 P C 1.153 178.292 177.300 -0.268 0.000 1.167 54 P CA 0.376 63.287 63.100 -0.315 0.000 0.763 54 P CB -0.240 31.307 31.700 -0.255 0.000 0.835 55 A N -0.207 122.411 122.820 -0.337 0.000 2.167 55 A HA 0.409 4.729 4.320 -0.000 0.000 0.214 55 A C 1.184 178.630 177.584 -0.230 0.000 1.151 55 A CA 0.670 52.546 52.037 -0.269 0.000 0.735 55 A CB -1.198 17.630 19.000 -0.287 0.000 0.802 55 A HN 0.282 nan 8.150 nan 0.000 0.467 56 G N -0.505 108.180 108.800 -0.193 0.000 3.277 56 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.684 56 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.684 56 G C -0.149 174.685 174.900 -0.111 0.000 0.923 56 G CA 0.167 45.190 45.100 -0.129 0.000 0.779 56 G HN 0.305 nan 8.290 nan 0.000 0.508 57 E N 0.769 120.924 120.200 -0.075 0.000 2.476 57 E HA 0.394 4.744 4.350 -0.000 0.000 0.199 57 E C 1.929 178.514 176.600 -0.024 0.000 1.021 57 E CA 1.064 57.433 56.400 -0.051 0.000 0.907 57 E CB 0.385 30.060 29.700 -0.042 0.000 0.974 57 E HN 2.109 nan 8.360 nan 0.000 0.489 58 G N 2.177 110.966 108.800 -0.019 0.000 2.295 58 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.287 58 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.287 58 G C 0.913 175.817 174.900 0.008 0.000 1.055 58 G CA 0.950 46.053 45.100 0.007 0.000 0.922 58 G HN 0.310 nan 8.290 nan 0.000 0.503 59 K N -0.848 119.546 120.400 -0.011 0.000 2.032 59 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 59 K C 2.536 179.125 176.600 -0.018 0.000 1.048 59 K CA 2.104 58.378 56.287 -0.021 0.000 0.927 59 K CB -0.267 32.212 32.500 -0.035 0.000 0.712 59 K HN 0.377 nan 8.250 nan 0.000 0.441 60 T N 0.313 114.857 114.554 -0.017 0.000 2.777 60 T HA -0.092 4.257 4.350 -0.000 0.000 0.266 60 T C 1.749 176.448 174.700 -0.002 0.000 1.040 60 T CA 1.778 63.866 62.100 -0.020 0.000 1.141 60 T CB -0.398 68.453 68.868 -0.028 0.000 0.868 60 T HN 0.369 nan 8.240 nan 0.000 0.444 61 T N 1.911 116.479 114.554 0.025 0.000 2.759 61 T HA -0.127 4.222 4.350 -0.000 0.000 0.269 61 T C 2.218 176.941 174.700 0.038 0.000 1.042 61 T CA 1.670 63.802 62.100 0.053 0.000 1.140 61 T CB -0.643 68.304 68.868 0.133 0.000 0.864 61 T HN 0.404 nan 8.240 nan 0.000 0.455 62 T N 1.591 116.162 114.554 0.027 0.000 2.857 62 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 62 T C 2.448 177.145 174.700 -0.005 0.000 1.048 62 T CA 1.097 63.206 62.100 0.015 0.000 1.139 62 T CB -0.298 68.574 68.868 0.008 0.000 0.874 62 T HN 0.302 nan 8.240 nan 0.000 0.455 63 S N 1.257 116.948 115.700 -0.015 0.000 2.368 63 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 63 S C 2.029 176.618 174.600 -0.019 0.000 1.030 63 S CA 0.928 59.113 58.200 -0.026 0.000 0.999 63 S CB -0.388 62.790 63.200 -0.037 0.000 0.844 63 S HN 0.413 nan 8.310 nan 0.000 0.459 64 I N 1.394 121.956 120.570 -0.013 0.000 2.179 64 I HA -0.126 4.043 4.170 -0.000 0.000 0.242 64 I C 2.729 178.839 176.117 -0.012 0.000 1.088 64 I CA 1.176 62.468 61.300 -0.012 0.000 1.357 64 I CB -0.893 37.098 38.000 -0.014 0.000 1.051 64 I HN 0.366 nan 8.210 nan 0.000 0.409 65 G N 1.120 109.916 108.800 -0.007 0.000 2.440 65 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 65 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 65 G C 1.660 176.550 174.900 -0.016 0.000 1.154 65 G CA 0.854 45.950 45.100 -0.007 0.000 0.767 65 G HN 0.277 nan 8.290 nan 0.000 0.552 66 L N 1.080 122.291 121.223 -0.020 0.000 2.046 66 L HA 0.173 4.513 4.340 -0.000 0.000 0.208 66 L C 1.926 178.771 176.870 -0.041 0.000 1.077 66 L CA 1.399 56.219 54.840 -0.034 0.000 0.747 66 L CB -0.889 41.149 42.059 -0.035 0.000 0.896 66 L HN 0.202 nan 8.230 nan 0.000 0.432 70 L N 2.594 123.765 121.223 -0.086 0.000 2.056 70 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 70 L C 2.171 178.999 176.870 -0.070 0.000 1.078 70 L CA 1.149 55.908 54.840 -0.134 0.000 0.749 70 L CB -0.461 41.473 42.059 -0.209 0.000 0.901 70 L HN 0.339 nan 8.230 nan 0.000 0.433 71 N N 0.200 118.881 118.700 -0.031 0.000 2.104 71 N HA -0.236 4.503 4.740 -0.000 0.000 0.190 71 N C 1.938 177.443 175.510 -0.008 0.000 1.024 71 N CA 1.327 54.375 53.050 -0.003 0.000 0.853 71 N CB -0.235 38.256 38.487 0.006 0.000 1.008 71 N HN 0.265 nan 8.380 nan 0.000 0.424 72 R N 1.790 122.279 120.500 -0.018 0.000 2.105 72 R HA -0.056 4.284 4.340 -0.000 0.000 0.239 72 R C 2.002 178.291 176.300 -0.018 0.000 1.135 72 R CA 1.198 57.288 56.100 -0.017 0.000 0.967 72 R CB -0.299 29.988 30.300 -0.021 0.000 0.861 72 R HN 0.396 nan 8.270 nan 0.000 0.442 73 I N -3.128 117.424 120.570 -0.030 0.000 3.810 73 I HA 0.433 4.603 4.170 -0.000 0.000 0.322 73 I C 0.560 176.667 176.117 -0.017 0.000 1.288 73 I CA 0.452 61.735 61.300 -0.028 0.000 1.143 73 I CB 0.467 38.439 38.000 -0.046 0.000 1.012 73 I HN 0.328 nan 8.210 nan 0.000 0.423 74 G N 1.794 110.589 108.800 -0.007 0.000 2.131 74 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.223 74 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.223 74 G C -0.131 174.788 174.900 0.032 0.000 0.990 74 G CA -0.265 44.842 45.100 0.012 0.000 0.671 74 G HN 0.523 nan 8.290 nan 0.000 0.521 75 K N 1.100 121.515 120.400 0.025 0.000 2.367 75 K HA 0.451 4.771 4.320 -0.000 0.000 0.263 75 K C 0.130 176.795 176.600 0.107 0.000 1.000 75 K CA -0.654 55.685 56.287 0.087 0.000 0.891 75 K CB 1.410 33.930 32.500 0.033 0.000 1.117 75 K HN 0.060 nan 8.250 nan 0.000 0.443 76 K N 1.394 121.869 120.400 0.125 0.000 2.453 76 K HA 0.075 4.395 4.320 -0.000 0.000 0.280 76 K C 0.034 176.718 176.600 0.140 0.000 1.045 76 K CA -0.070 56.279 56.287 0.103 0.000 1.059 76 K CB 0.915 33.465 32.500 0.083 0.000 0.901 76 K HN 0.612 nan 8.250 nan 0.000 0.475 77 S N 2.176 117.937 115.700 0.101 0.000 2.540 77 S HA 0.706 5.176 4.470 -0.000 0.000 0.275 77 S C -0.930 173.711 174.600 0.069 0.000 1.123 77 S CA -0.870 57.395 58.200 0.108 0.000 0.907 77 S CB 0.663 63.917 63.200 0.090 0.000 1.081 77 S HN 0.525 nan 8.310 nan 0.000 0.476 78 I N 3.104 123.713 120.570 0.065 0.000 2.509 78 I HA 0.494 4.664 4.170 -0.000 0.000 0.293 78 I C -0.386 175.754 176.117 0.038 0.000 1.020 78 I CA -1.029 60.301 61.300 0.049 0.000 1.088 78 I CB 2.045 40.075 38.000 0.049 0.000 1.267 78 I HN 0.394 nan 8.210 nan 0.000 0.430 79 V N 5.725 125.657 119.914 0.030 0.000 2.407 79 V HA 0.497 4.616 4.120 -0.000 0.000 0.278 79 V C 0.101 176.212 176.094 0.027 0.000 1.037 79 V CA -0.005 62.306 62.300 0.018 0.000 0.900 79 V CB 1.735 33.562 31.823 0.007 0.000 0.983 79 V HN 0.870 nan 8.190 nan 0.000 0.459 80 T N 6.363 120.931 114.554 0.022 0.000 2.779 80 T HA 0.744 5.094 4.350 -0.000 0.000 0.280 80 T C -0.785 173.934 174.700 0.031 0.000 0.987 80 T CA -0.626 61.500 62.100 0.044 0.000 0.966 80 T CB 1.074 69.976 68.868 0.056 0.000 0.933 80 T HN 0.525 nan 8.240 nan 0.000 0.442 81 L N 1.982 123.233 121.223 0.046 0.000 2.350 81 L HA 0.618 4.958 4.340 -0.000 0.000 0.260 81 L C 0.526 177.422 176.870 0.044 0.000 1.015 81 L CA -1.449 53.404 54.840 0.022 0.000 0.821 81 L CB 2.333 44.389 42.059 -0.005 0.000 1.370 81 L HN 0.548 nan 8.230 nan 0.000 0.416 82 R N 0.824 121.332 120.500 0.012 0.000 2.594 82 R HA 0.126 4.465 4.340 -0.000 0.000 0.272 82 R C -0.183 176.121 176.300 0.008 0.000 1.074 82 R CA -0.357 55.752 56.100 0.014 0.000 1.105 82 R CB 0.784 31.070 30.300 -0.024 0.000 1.008 82 R HN 0.528 nan 8.270 nan 0.000 0.472 83 E N 4.370 124.594 120.200 0.041 0.000 2.290 83 E HA 0.111 4.461 4.350 -0.000 0.000 0.277 83 E C -1.977 174.616 176.600 -0.011 0.000 1.035 83 E CA -1.907 54.509 56.400 0.027 0.000 0.873 83 E CB 0.696 30.480 29.700 0.139 0.000 1.029 83 E HN 0.234 nan 8.360 nan 0.000 0.419 84 P HA 0.003 nan 4.420 nan 0.000 0.268 84 P C -0.818 176.467 177.300 -0.026 0.000 1.205 84 P CA -0.179 62.891 63.100 -0.050 0.000 0.771 84 P CB 0.999 32.652 31.700 -0.078 0.000 0.858 85 S N 2.021 117.718 115.700 -0.005 0.000 2.562 85 S HA 0.065 4.534 4.470 -0.000 0.000 0.281 85 S C 1.498 176.090 174.600 -0.013 0.000 1.333 85 S CA -0.527 57.680 58.200 0.011 0.000 1.052 85 S CB 0.295 63.530 63.200 0.058 0.000 0.884 85 S HN 0.499 nan 8.310 nan 0.000 0.506 86 L N 3.509 124.720 121.223 -0.020 0.000 2.072 86 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 86 L C 2.343 179.205 176.870 -0.015 0.000 1.079 86 L CA 1.435 56.254 54.840 -0.035 0.000 0.752 86 L CB -1.042 40.990 42.059 -0.045 0.000 0.906 86 L HN 0.891 nan 8.230 nan 0.000 0.436 87 G N 0.582 109.387 108.800 0.009 0.000 2.599 87 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 87 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 87 G C -0.779 174.126 174.900 0.009 0.000 1.193 87 G CA 1.142 46.252 45.100 0.017 0.000 0.778 87 G HN 0.355 nan 8.290 nan 0.000 0.589 88 P HA -0.011 nan 4.420 nan 0.000 0.218 88 P C 1.948 179.241 177.300 -0.012 0.000 1.148 88 P CA 1.541 64.640 63.100 -0.001 0.000 0.822 88 P CB -0.140 31.556 31.700 -0.007 0.000 0.784 89 T N -0.794 113.748 114.554 -0.019 0.000 2.951 89 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 89 T C 1.491 176.179 174.700 -0.020 0.000 1.073 89 T CA 0.864 62.949 62.100 -0.025 0.000 1.134 89 T CB -0.660 68.185 68.868 -0.038 0.000 0.884 89 T HN 0.092 nan 8.240 nan 0.000 0.479 90 L N 0.186 121.399 121.223 -0.016 0.000 2.395 90 L HA 0.164 4.504 4.340 -0.000 0.000 0.218 90 L C 2.699 179.564 176.870 -0.008 0.000 1.130 90 L CA 0.754 55.587 54.840 -0.011 0.000 0.826 90 L CB -0.400 41.656 42.059 -0.007 0.000 0.941 90 L HN 0.292 nan 8.230 nan 0.000 0.451 91 G N -0.689 108.107 108.800 -0.008 0.000 2.490 91 G HA2 0.205 4.164 3.960 -0.000 0.000 0.211 91 G HA3 0.205 4.164 3.960 -0.000 0.000 0.211 91 G C 0.546 175.440 174.900 -0.009 0.000 1.159 91 G CA 0.046 45.141 45.100 -0.007 0.000 0.819 91 G HN 0.072 nan 8.290 nan 0.000 0.539 92 L N 0.331 121.547 121.223 -0.011 0.000 2.565 92 L HA 0.311 4.651 4.340 -0.000 0.000 0.261 92 L C -0.932 175.930 176.870 -0.015 0.000 0.932 92 L CA -0.854 53.978 54.840 -0.013 0.000 0.878 92 L CB 2.780 44.830 42.059 -0.014 0.000 1.333 92 L HN 0.014 nan 8.230 nan 0.000 0.409 93 K N 1.709 122.102 120.400 -0.012 0.000 2.484 93 K HA 0.287 4.606 4.320 -0.000 0.000 0.280 93 K C 0.276 176.869 176.600 -0.012 0.000 1.013 93 K CA 0.325 56.605 56.287 -0.011 0.000 1.029 93 K CB 0.814 33.312 32.500 -0.004 0.000 0.902 93 K HN 0.729 nan 8.250 nan 0.000 0.481 94 G N 0.352 109.142 108.800 -0.016 0.000 3.211 94 G HA2 0.482 4.442 3.960 -0.000 0.000 0.262 94 G HA3 0.482 4.442 3.960 -0.000 0.000 0.262 94 G C 0.082 174.975 174.900 -0.012 0.000 1.352 94 G CA -0.612 44.477 45.100 -0.018 0.000 1.004 94 G HN 0.585 nan 8.290 nan 0.000 0.559 95 G N -1.012 107.778 108.800 -0.016 0.000 3.453 95 G HA2 0.420 4.380 3.960 -0.000 0.000 0.263 95 G HA3 0.420 4.380 3.960 -0.000 0.000 0.263 95 G C 1.128 176.015 174.900 -0.022 0.000 1.060 95 G CA 1.300 46.397 45.100 -0.004 0.000 0.793 95 G HN 0.946 nan 8.290 nan 0.000 0.532 96 A N 0.616 123.411 122.820 -0.042 0.000 2.168 96 A HA 0.153 4.473 4.320 -0.000 0.000 0.215 96 A C 2.140 179.682 177.584 -0.069 0.000 1.152 96 A CA 1.839 53.840 52.037 -0.060 0.000 0.716 96 A CB -0.253 18.704 19.000 -0.072 0.000 0.794 96 A HN 0.454 nan 8.150 nan 0.000 0.465 97 T N -4.603 109.912 114.554 -0.064 0.000 3.182 97 T HA 0.494 4.844 4.350 -0.000 0.000 0.277 97 T C 0.972 175.643 174.700 -0.049 0.000 1.013 97 T CA 0.875 62.930 62.100 -0.076 0.000 0.900 97 T CB -0.090 68.717 68.868 -0.102 0.000 1.098 97 T HN 1.779 nan 8.240 nan 0.000 0.543 98 G N 0.128 108.915 108.800 -0.022 0.000 2.527 98 G HA2 0.352 4.312 3.960 -0.000 0.000 0.227 98 G HA3 0.352 4.312 3.960 -0.000 0.000 0.227 98 G C -0.073 174.852 174.900 0.041 0.000 1.291 98 G CA -0.369 44.737 45.100 0.009 0.000 0.904 98 G HN 1.630 nan 8.290 nan 0.000 0.577 99 G N -2.586 106.242 108.800 0.047 0.000 2.632 99 G HA2 0.758 4.718 3.960 -0.000 0.000 0.292 99 G HA3 0.758 4.718 3.960 -0.000 0.000 0.292 99 G C 1.050 175.769 174.900 -0.302 0.000 1.465 99 G CA 1.276 46.420 45.100 0.074 0.000 0.824 99 G HN 2.657 nan 8.290 nan 0.000 0.509 100 G N 0.752 109.120 108.800 -0.721 0.000 2.660 100 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.321 100 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.321 100 G C 0.998 175.576 174.900 -0.536 0.000 1.246 100 G CA 1.019 45.425 45.100 -1.156 0.000 1.000 100 G HN 0.991 nan 8.290 nan 0.000 0.550 101 R N 0.519 120.740 120.500 -0.464 0.000 2.427 101 R HA 0.423 4.762 4.340 -0.000 0.000 0.262 101 R C 0.596 176.801 176.300 -0.158 0.000 0.943 101 R CA 0.690 56.648 56.100 -0.237 0.000 1.081 101 R CB 0.506 30.697 30.300 -0.182 0.000 1.166 101 R HN 0.263 nan 8.270 nan 0.000 0.534 102 S N 1.033 116.636 115.700 -0.162 0.000 2.158 102 S HA 0.394 4.863 4.470 -0.000 0.000 0.160 102 S C -0.674 173.889 174.600 -0.061 0.000 1.693 102 S CA -0.603 57.551 58.200 -0.077 0.000 1.251 102 S CB 0.149 63.334 63.200 -0.025 0.000 1.153 102 S HN 0.175 nan 8.310 nan 0.000 0.439 103 R N 0.673 121.132 120.500 -0.069 0.000 2.888 103 R HA 0.695 5.035 4.340 -0.000 0.000 0.264 103 R C -0.863 175.406 176.300 -0.053 0.000 1.045 103 R CA -1.029 55.034 56.100 -0.061 0.000 0.962 103 R CB 1.767 32.020 30.300 -0.078 0.000 1.210 103 R HN 0.353 nan 8.270 nan 0.000 0.479 104 V N -0.335 119.544 119.914 -0.057 0.000 2.483 104 V HA 0.676 4.796 4.120 -0.000 0.000 0.295 104 V C -0.511 175.541 176.094 -0.070 0.000 1.035 104 V CA -0.800 61.467 62.300 -0.056 0.000 0.896 104 V CB 1.313 33.100 31.823 -0.060 0.000 0.986 104 V HN 0.491 nan 8.190 nan 0.000 0.447 105 L N 4.789 125.982 121.223 -0.050 0.000 2.388 105 L HA 0.661 5.001 4.340 -0.000 0.000 0.264 105 L C -2.596 174.269 176.870 -0.008 0.000 0.998 105 L CA -1.967 52.841 54.840 -0.053 0.000 0.817 105 L CB 3.079 45.096 42.059 -0.070 0.000 1.338 105 L HN 0.441 nan 8.230 nan 0.000 0.414 106 P HA 0.102 nan 4.420 nan 0.000 0.282 106 P C 0.284 177.553 177.300 -0.051 0.000 1.262 106 P CA -0.380 62.698 63.100 -0.037 0.000 0.773 106 P CB 1.590 33.293 31.700 0.006 0.000 0.879 107 S N 2.038 117.696 115.700 -0.070 0.000 2.406 107 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 107 S C 1.230 175.780 174.600 -0.083 0.000 1.020 107 S CA 0.908 59.053 58.200 -0.091 0.000 0.965 107 S CB -0.745 62.406 63.200 -0.081 0.000 0.798 107 S HN 0.262 nan 8.310 nan 0.000 0.488 108 D N 1.923 122.295 120.400 -0.047 0.000 2.104 108 D HA -0.073 4.567 4.640 -0.000 0.000 0.194 108 D C 1.996 178.284 176.300 -0.019 0.000 0.994 108 D CA 1.533 55.515 54.000 -0.029 0.000 0.830 108 D CB -0.442 40.356 40.800 -0.004 0.000 0.959 108 D HN 0.491 nan 8.370 nan 0.000 0.452 109 E N 0.262 120.475 120.200 0.021 0.000 2.077 109 E HA -0.077 4.272 4.350 -0.000 0.000 0.193 109 E C 2.266 178.882 176.600 0.027 0.000 0.989 109 E CA 0.396 56.856 56.400 0.099 0.000 0.800 109 E CB -0.181 29.641 29.700 0.204 0.000 0.746 109 E HN 0.338 nan 8.360 nan 0.000 0.452 110 I N 1.035 121.483 120.570 -0.203 0.000 2.315 110 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 110 I C 1.668 177.579 176.117 -0.343 0.000 1.117 110 I CA 0.804 61.724 61.300 -0.633 0.000 1.404 110 I CB -0.189 37.397 38.000 -0.690 0.000 1.071 110 I HN 0.111 nan 8.210 nan 0.000 0.419 111 N N 0.248 118.837 118.700 -0.185 0.000 2.409 111 N HA 0.068 4.808 4.740 -0.000 0.000 0.179 111 N C 1.305 176.755 175.510 -0.101 0.000 1.032 111 N CA 0.818 53.792 53.050 -0.127 0.000 0.898 111 N CB 0.289 38.719 38.487 -0.096 0.000 0.971 111 N HN 0.288 nan 8.380 nan 0.000 0.441 112 L N -0.431 120.737 121.223 -0.091 0.000 2.591 112 L HA 0.148 4.487 4.340 -0.000 0.000 0.197 112 L C 1.807 178.602 176.870 -0.126 0.000 1.537 112 L CA -0.421 54.320 54.840 -0.166 0.000 3.045 112 L CB -0.385 41.566 42.059 -0.180 0.000 2.859 112 L HN 0.084 nan 8.230 nan 0.000 0.957 113 H N -0.810 118.349 119.070 0.147 0.000 2.512 113 H HA 0.010 4.566 4.556 -0.000 0.000 0.279 113 H C 0.794 176.250 175.328 0.214 0.000 0.999 113 H CA 0.554 56.717 56.048 0.192 0.000 1.283 113 H CB 0.259 30.177 29.762 0.261 0.000 1.421 113 H HN 0.263 nan 8.280 nan 0.000 0.554 114 F N 0.699 120.714 119.950 0.108 0.000 2.756 114 F HA -0.425 4.102 4.527 -0.000 0.000 0.240 114 F C 1.757 177.557 175.800 -0.000 0.000 1.487 114 F CA 2.460 60.479 58.000 0.031 0.000 1.859 114 F CB -1.196 37.797 39.000 -0.012 0.000 1.319 114 F HN 0.206 nan 8.300 nan 0.000 0.230 115 T N -0.829 113.459 114.554 -0.444 0.000 3.134 115 T HA 0.516 4.866 4.350 -0.000 0.000 0.260 115 T C 1.204 175.740 174.700 -0.272 0.000 1.027 115 T CA 0.833 62.507 62.100 -0.710 0.000 0.913 115 T CB -0.120 67.929 68.868 -1.365 0.000 1.046 115 T HN 2.118 nan 8.240 nan 0.000 0.553 116 G N 1.407 110.193 108.800 -0.024 0.000 2.141 116 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 116 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 116 G C -0.216 174.726 174.900 0.069 0.000 0.982 116 G CA -0.089 45.090 45.100 0.131 0.000 0.662 116 G HN 0.568 nan 8.290 nan 0.000 0.527 120 A N 1.427 124.355 122.820 0.181 0.000 1.902 120 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 120 A C 2.342 179.998 177.584 0.120 0.000 1.181 120 A CA 2.162 54.278 52.037 0.132 0.000 0.623 120 A CB -0.748 18.314 19.000 0.103 0.000 0.818 120 A HN 0.109 nan 8.150 nan 0.000 0.443 121 V N -0.048 119.931 119.914 0.108 0.000 2.287 121 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 121 V C 3.080 179.265 176.094 0.151 0.000 1.053 121 V CA 2.046 64.416 62.300 0.117 0.000 1.027 121 V CB -1.272 30.603 31.823 0.086 0.000 0.646 121 V HN 0.624 nan 8.190 nan 0.000 0.447 122 A N -0.480 122.416 122.820 0.127 0.000 1.883 122 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 122 A C 2.490 180.174 177.584 0.167 0.000 1.186 122 A CA 2.369 54.481 52.037 0.126 0.000 0.624 122 A CB -0.803 18.273 19.000 0.126 0.000 0.822 122 A HN 0.512 nan 8.150 nan 0.000 0.444 123 S N -0.156 115.637 115.700 0.155 0.000 2.359 123 S HA -0.112 4.357 4.470 -0.000 0.000 0.224 123 S C 2.333 177.019 174.600 0.144 0.000 1.035 123 S CA 1.403 59.684 58.200 0.136 0.000 1.018 123 S CB -0.559 62.707 63.200 0.110 0.000 0.876 123 S HN 0.831 nan 8.310 nan 0.000 0.448 124 A N 0.758 123.667 122.820 0.148 0.000 1.902 124 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 124 A C 1.869 179.568 177.584 0.192 0.000 1.181 124 A CA 2.085 54.201 52.037 0.132 0.000 0.623 124 A CB -0.988 18.080 19.000 0.112 0.000 0.818 124 A HN 0.697 nan 8.150 nan 0.000 0.443 125 H N -0.161 119.019 119.070 0.183 0.000 2.299 125 H HA -0.086 4.470 4.556 -0.000 0.000 0.302 125 H C 1.937 177.464 175.328 0.331 0.000 1.078 125 H CA 1.808 58.057 56.048 0.335 0.000 1.323 125 H CB 0.030 29.909 29.762 0.196 0.000 1.381 125 H HN 0.402 nan 8.280 nan 0.000 0.498 126 N N 0.408 119.340 118.700 0.386 0.000 2.309 126 N HA -0.116 4.624 4.740 -0.000 0.000 0.182 126 N C 1.924 177.541 175.510 0.178 0.000 1.018 126 N CA 0.743 53.944 53.050 0.251 0.000 0.876 126 N CB -0.238 38.343 38.487 0.157 0.000 0.972 126 N HN 0.355 nan 8.380 nan 0.000 0.434 127 L N 0.740 122.050 121.223 0.144 0.000 2.046 127 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 127 L C 1.974 178.872 176.870 0.045 0.000 1.077 127 L CA 1.236 56.124 54.840 0.081 0.000 0.747 127 L CB -0.821 41.271 42.059 0.055 0.000 0.896 127 L HN 0.066 nan 8.230 nan 0.000 0.432 128 L N 0.212 121.444 121.223 0.015 0.000 2.042 128 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 128 L C 2.474 179.316 176.870 -0.045 0.000 1.076 128 L CA 2.184 56.937 54.840 -0.145 0.000 0.749 128 L CB -1.302 40.456 42.059 -0.501 0.000 0.893 128 L HN 0.301 nan 8.230 nan 0.000 0.432 129 A N -0.497 122.415 122.820 0.152 0.000 1.898 129 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 129 A C 2.462 180.109 177.584 0.105 0.000 1.181 129 A CA 1.726 53.884 52.037 0.202 0.000 0.620 129 A CB -1.160 17.980 19.000 0.234 0.000 0.819 129 A HN 0.593 nan 8.150 nan 0.000 0.442 130 A N -0.560 122.315 122.820 0.091 0.000 1.902 130 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 130 A C 2.212 179.841 177.584 0.074 0.000 1.181 130 A CA 1.838 53.922 52.037 0.079 0.000 0.623 130 A CB -0.919 18.127 19.000 0.076 0.000 0.818 130 A HN 0.394 nan 8.150 nan 0.000 0.443 131 V N -0.156 119.790 119.914 0.053 0.000 2.427 131 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 131 V C 2.453 178.590 176.094 0.071 0.000 1.051 131 V CA 1.747 64.078 62.300 0.052 0.000 1.048 131 V CB -0.669 31.156 31.823 0.004 0.000 0.666 131 V HN 0.637 nan 8.190 nan 0.000 0.456 132 L N -0.283 120.963 121.223 0.038 0.000 1.994 132 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 132 L C 2.407 179.342 176.870 0.107 0.000 1.071 132 L CA 2.026 56.893 54.840 0.045 0.000 0.745 132 L CB -0.523 41.543 42.059 0.012 0.000 0.892 132 L HN 0.326 nan 8.230 nan 0.000 0.431 133 D N -0.921 119.537 120.400 0.097 0.000 2.144 133 D HA -0.200 4.440 4.640 -0.000 0.000 0.199 133 D C 2.253 178.623 176.300 0.117 0.000 0.984 133 D CA 1.600 55.663 54.000 0.104 0.000 0.834 133 D CB 0.149 41.002 40.800 0.088 0.000 0.955 133 D HN 0.339 nan 8.370 nan 0.000 0.465 134 S N -0.576 115.201 115.700 0.128 0.000 2.387 134 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 134 S C 1.895 176.635 174.600 0.233 0.000 1.026 134 S CA 1.064 59.358 58.200 0.156 0.000 0.972 134 S CB -0.140 63.176 63.200 0.194 0.000 0.814 134 S HN 0.333 nan 8.310 nan 0.000 0.477 135 H N 1.058 120.206 119.070 0.129 0.000 2.319 135 H HA 0.022 4.578 4.556 -0.000 0.000 0.299 135 H C 1.833 177.218 175.328 0.095 0.000 1.092 135 H CA 2.300 58.413 56.048 0.107 0.000 1.302 135 H CB -0.370 29.417 29.762 0.042 0.000 1.373 135 H HN 0.436 nan 8.280 nan 0.000 0.497 136 I N 0.348 120.979 120.570 0.102 0.000 2.226 136 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 136 I C 2.675 178.833 176.117 0.069 0.000 1.100 136 I CA 1.313 62.623 61.300 0.018 0.000 1.374 136 I CB -0.343 37.680 38.000 0.039 0.000 1.057 136 I HN 0.280 nan 8.210 nan 0.000 0.413 137 K N 0.545 121.021 120.400 0.127 0.000 2.097 137 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 137 K C 1.495 178.081 176.600 -0.023 0.000 1.049 137 K CA 1.486 57.835 56.287 0.103 0.000 0.933 137 K CB -0.141 32.273 32.500 -0.143 0.000 0.717 137 K HN 0.430 nan 8.250 nan 0.000 0.442 138 H N -1.218 117.869 119.070 0.028 0.000 2.567 138 H HA 0.140 4.696 4.556 -0.000 0.000 0.294 138 H C 0.900 176.183 175.328 -0.075 0.000 1.050 138 H CA 0.878 56.913 56.048 -0.021 0.000 1.168 138 H CB 0.668 30.406 29.762 -0.040 0.000 1.422 138 H HN 0.593 nan 8.280 nan 0.000 0.562 139 G N 1.058 109.861 108.800 0.004 0.000 2.485 139 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.181 139 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.181 139 G C 0.303 175.121 174.900 -0.136 0.000 0.999 139 G CA -0.213 44.859 45.100 -0.046 0.000 0.721 139 G HN 0.314 nan 8.290 nan 0.000 0.486 140 N N 0.732 119.269 118.700 -0.271 0.000 2.699 140 N HA -0.160 4.580 4.740 -0.000 0.000 0.256 140 N C 1.043 176.494 175.510 -0.099 0.000 0.993 140 N CA 1.545 54.444 53.050 -0.251 0.000 0.759 140 N CB -0.894 37.496 38.487 -0.162 0.000 0.906 140 N HN 0.748 nan 8.380 nan 0.000 0.541 141 E N -0.013 120.105 120.200 -0.136 0.000 2.204 141 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 141 E C 1.639 178.343 176.600 0.174 0.000 0.990 141 E CA 1.061 57.493 56.400 0.054 0.000 0.821 141 E CB 0.021 29.762 29.700 0.069 0.000 0.750 141 E HN 0.638 nan 8.360 nan 0.000 0.477 142 L N 0.306 121.777 121.223 0.413 0.000 2.610 142 L HA 0.037 4.376 4.340 -0.000 0.000 0.232 142 L C 0.144 177.070 176.870 0.093 0.000 1.149 142 L CA 0.206 55.156 54.840 0.183 0.000 0.872 142 L CB -0.220 41.846 42.059 0.012 0.000 0.992 142 L HN 0.057 nan 8.230 nan 0.000 0.447 143 K N 0.493 120.943 120.400 0.084 0.000 3.077 143 K HA -0.195 4.124 4.320 -0.000 0.000 0.264 143 K C -0.071 176.532 176.600 0.005 0.000 1.008 143 K CA 0.355 56.653 56.287 0.018 0.000 0.740 143 K CB -1.905 30.601 32.500 0.010 0.000 1.273 143 K HN 0.303 nan 8.250 nan 0.000 0.477 144 I N 1.507 122.088 120.570 0.019 0.000 2.668 144 I HA -0.079 4.091 4.170 -0.000 0.000 0.285 144 I C 1.008 177.097 176.117 -0.047 0.000 1.168 144 I CA 0.129 61.424 61.300 -0.009 0.000 1.424 144 I CB 0.194 38.200 38.000 0.010 0.000 1.377 144 I HN 0.111 nan 8.210 nan 0.000 0.560 145 D N 7.700 128.067 120.400 -0.055 0.000 2.352 145 D HA 0.078 4.718 4.640 -0.000 0.000 0.245 145 D C 1.062 177.308 176.300 -0.091 0.000 1.224 145 D CA -0.322 53.635 54.000 -0.071 0.000 0.879 145 D CB 0.804 41.567 40.800 -0.062 0.000 1.057 145 D HN 0.507 nan 8.370 nan 0.000 0.491 146 I N 1.411 121.931 120.570 -0.084 0.000 3.241 146 I HA -0.073 4.097 4.170 -0.000 0.000 0.280 146 I C 1.381 177.455 176.117 -0.072 0.000 1.320 146 I CA 0.813 62.071 61.300 -0.070 0.000 1.413 146 I CB -0.377 37.593 38.000 -0.050 0.000 1.060 146 I HN 0.249 nan 8.210 nan 0.000 0.500 147 T N -1.845 112.660 114.554 -0.082 0.000 3.107 147 T HA 0.263 4.613 4.350 -0.000 0.000 0.249 147 T C 1.091 175.705 174.700 -0.143 0.000 1.096 147 T CA -0.250 61.798 62.100 -0.087 0.000 1.012 147 T CB -0.113 68.721 68.868 -0.058 0.000 0.977 147 T HN 0.490 nan 8.240 nan 0.000 0.527 148 R N 0.846 121.224 120.500 -0.204 0.000 2.711 148 R HA 0.394 4.734 4.340 -0.000 0.000 0.350 148 R C -1.293 174.664 176.300 -0.572 0.000 1.146 148 R CA -0.257 55.616 56.100 -0.378 0.000 1.190 148 R CB 1.417 31.549 30.300 -0.280 0.000 1.312 148 R HN 0.212 nan 8.270 nan 0.000 0.635 149 V N 1.854 121.520 119.914 -0.412 0.000 2.364 149 V HA 0.211 4.331 4.120 -0.000 0.000 0.272 149 V C 0.606 176.507 176.094 -0.321 0.000 1.036 149 V CA -0.215 61.895 62.300 -0.317 0.000 0.880 149 V CB 0.770 32.529 31.823 -0.108 0.000 0.991 149 V HN 0.341 nan 8.190 nan 0.000 0.460 150 F N 2.012 121.968 119.950 0.009 0.000 2.387 150 F HA 0.120 4.647 4.527 -0.000 0.000 0.294 150 F C 1.233 177.034 175.800 0.002 0.000 1.093 150 F CA -0.191 57.790 58.000 -0.032 0.000 1.420 150 F CB 0.001 38.975 39.000 -0.042 0.000 1.086 150 F HN 0.416 nan 8.300 nan 0.000 0.531 151 W N 3.964 125.287 121.300 0.037 0.000 2.308 151 W HA 0.129 4.789 4.660 -0.000 0.000 0.324 151 W C -0.080 176.414 176.519 -0.041 0.000 1.387 151 W CA -0.123 57.201 57.345 -0.035 0.000 1.250 151 W CB 0.503 29.915 29.460 -0.081 0.000 1.257 151 W HN -0.189 nan 8.180 nan 0.000 0.554 152 K N 4.905 124.991 120.400 -0.523 0.000 2.210 152 K HA 0.495 4.815 4.320 -0.000 0.000 0.236 152 K C 0.118 176.471 176.600 -0.412 0.000 1.016 152 K CA -0.926 55.133 56.287 -0.379 0.000 0.913 152 K CB 0.952 33.252 32.500 -0.334 0.000 1.141 152 K HN 0.472 nan 8.250 nan 0.000 0.462 153 R N -0.476 119.715 120.500 -0.515 0.000 2.549 153 R HA 0.506 4.845 4.340 -0.000 0.000 0.259 153 R C 0.212 176.039 176.300 -0.788 0.000 1.095 153 R CA -0.394 55.262 56.100 -0.741 0.000 1.148 153 R CB 1.128 30.590 30.300 -1.397 0.000 1.181 153 R HN 0.577 nan 8.270 nan 0.000 0.571 159 D N 0.871 121.262 120.400 -0.015 0.000 2.438 159 D HA 0.186 4.825 4.640 -0.000 0.000 0.257 159 D C 1.218 177.496 176.300 -0.037 0.000 1.148 159 D CA -0.450 53.524 54.000 -0.043 0.000 0.902 159 D CB 0.808 41.553 40.800 -0.092 0.000 1.062 159 D HN 0.451 nan 8.370 nan 0.000 0.518 160 R N 2.203 122.690 120.500 -0.020 0.000 2.193 160 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 160 R C 1.453 177.741 176.300 -0.020 0.000 1.110 160 R CA 1.281 57.375 56.100 -0.010 0.000 0.988 160 R CB -0.223 30.075 30.300 -0.005 0.000 0.871 160 R HN 0.181 nan 8.270 nan 0.000 0.458 161 A N 1.574 124.370 122.820 -0.040 0.000 2.070 161 A HA 0.018 4.337 4.320 -0.000 0.000 0.220 161 A C 1.961 179.513 177.584 -0.054 0.000 1.159 161 A CA 0.825 52.835 52.037 -0.045 0.000 0.656 161 A CB -0.223 18.743 19.000 -0.057 0.000 0.800 161 A HN 0.356 nan 8.150 nan 0.000 0.453 162 L N -1.611 119.567 121.223 -0.075 0.000 2.628 162 L HA 0.145 4.485 4.340 -0.000 0.000 0.229 162 L C 2.189 179.096 176.870 0.061 0.000 1.137 162 L CA -0.124 54.673 54.840 -0.072 0.000 0.909 162 L CB -0.174 41.694 42.059 -0.318 0.000 1.137 162 L HN 0.306 nan 8.230 nan 0.000 0.470 163 R N -0.178 120.343 120.500 0.036 0.000 2.081 163 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 163 R C 0.833 177.162 176.300 0.048 0.000 1.131 163 R CA 0.922 57.050 56.100 0.046 0.000 0.960 163 R CB 0.013 30.328 30.300 0.025 0.000 0.856 163 R HN 0.073 nan 8.270 nan 0.000 0.436 164 S N 0.251 115.975 115.700 0.041 0.000 2.736 164 S HA 0.489 4.958 4.470 -0.000 0.000 0.285 164 S C -0.688 173.936 174.600 0.041 0.000 1.163 164 S CA -0.938 57.285 58.200 0.037 0.000 1.025 164 S CB 0.536 63.749 63.200 0.021 0.000 1.030 164 S HN 0.282 nan 8.310 nan 0.000 0.486 165 I N 1.401 122.006 120.570 0.058 0.000 3.145 165 I HA 0.862 5.032 4.170 -0.000 0.000 0.313 165 I C -1.554 174.594 176.117 0.052 0.000 1.122 165 I CA -1.204 60.132 61.300 0.061 0.000 0.987 165 I CB 2.179 40.240 38.000 0.103 0.000 1.236 165 I HN 0.273 nan 8.210 nan 0.000 0.453 166 V N 4.160 124.102 119.914 0.047 0.000 2.487 166 V HA 0.519 4.638 4.120 -0.000 0.000 0.298 166 V C 0.110 176.234 176.094 0.050 0.000 1.028 166 V CA -0.462 61.863 62.300 0.042 0.000 0.860 166 V CB 1.439 33.279 31.823 0.029 0.000 0.991 166 V HN 0.721 nan 8.190 nan 0.000 0.427 167 I N 1.021 121.624 120.570 0.054 0.000 3.100 167 I HA 0.954 5.124 4.170 -0.000 0.000 0.312 167 I C 0.982 177.127 176.117 0.048 0.000 1.063 167 I CA -0.452 60.884 61.300 0.060 0.000 1.031 167 I CB 1.989 40.034 38.000 0.075 0.000 1.243 167 I HN 0.810 nan 8.210 nan 0.000 0.483 168 G N 1.903 110.727 108.800 0.041 0.000 2.176 168 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.252 168 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.252 168 G C -0.214 174.687 174.900 0.000 0.000 1.024 168 G CA 0.342 45.457 45.100 0.026 0.000 0.755 168 G HN 0.574 nan 8.290 nan 0.000 0.507 169 L N -1.229 119.995 121.223 0.002 0.000 2.454 169 L HA 0.665 5.005 4.340 -0.000 0.000 0.256 169 L C 1.769 178.623 176.870 -0.026 0.000 1.136 169 L CA 0.349 55.182 54.840 -0.011 0.000 0.804 169 L CB 1.179 43.238 42.059 0.000 0.000 1.181 169 L HN 0.904 nan 8.230 nan 0.000 0.469 170 G N -0.276 108.504 108.800 -0.032 0.000 2.218 170 G HA2 0.136 4.096 3.960 -0.000 0.000 0.216 170 G HA3 0.136 4.096 3.960 -0.000 0.000 0.216 170 G C 0.366 175.236 174.900 -0.051 0.000 0.994 170 G CA -0.156 44.923 45.100 -0.034 0.000 0.637 170 G HN 1.464 nan 8.290 nan 0.000 0.505 171 G N -1.283 107.472 108.800 -0.076 0.000 2.353 171 G HA2 0.362 4.322 3.960 -0.000 0.000 0.615 171 G HA3 0.362 4.322 3.960 -0.000 0.000 0.615 171 G C 0.754 175.564 174.900 -0.150 0.000 1.280 171 G CA 0.528 45.569 45.100 -0.099 0.000 1.000 171 G HN 1.220 nan 8.290 nan 0.000 0.516 172 S N -0.019 115.585 115.700 -0.161 0.000 2.383 172 S HA -0.022 4.448 4.470 -0.000 0.000 0.229 172 S C 2.756 177.235 174.600 -0.201 0.000 1.030 172 S CA 2.462 60.528 58.200 -0.224 0.000 1.002 172 S CB -0.444 62.657 63.200 -0.165 0.000 0.829 172 S HN 1.733 nan 8.310 nan 0.000 0.467 173 A N 1.888 124.630 122.820 -0.131 0.000 2.067 173 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 173 A C 1.588 179.108 177.584 -0.106 0.000 1.158 173 A CA 1.121 53.097 52.037 -0.102 0.000 0.661 173 A CB -0.277 18.685 19.000 -0.063 0.000 0.801 173 A HN 0.429 nan 8.150 nan 0.000 0.452 174 N N -0.788 117.842 118.700 -0.118 0.000 2.236 174 N HA 0.312 5.052 4.740 -0.000 0.000 0.196 174 N C 1.028 176.473 175.510 -0.108 0.000 1.114 174 N CA 0.979 53.976 53.050 -0.089 0.000 0.859 174 N CB 0.528 38.979 38.487 -0.061 0.000 0.982 174 N HN 0.599 nan 8.380 nan 0.000 0.493 175 G N 0.749 109.430 108.800 -0.199 0.000 2.512 175 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.240 175 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.240 175 G C -0.901 173.769 174.900 -0.383 0.000 1.246 175 G CA -0.631 44.316 45.100 -0.255 0.000 0.919 175 G HN 0.128 nan 8.290 nan 0.000 0.577 176 F N 2.295 122.226 119.950 -0.032 0.000 2.436 176 F HA 0.569 5.096 4.527 -0.000 0.000 0.340 176 F C -1.655 174.138 175.800 -0.011 0.000 1.113 176 F CA -1.612 56.375 58.000 -0.021 0.000 1.022 176 F CB 1.958 40.945 39.000 -0.021 0.000 1.128 176 F HN 0.190 nan 8.300 nan 0.000 0.466 177 P HA 0.212 nan 4.420 nan 0.000 0.266 177 P C -0.951 176.406 177.300 0.096 0.000 1.195 177 P CA -0.133 63.021 63.100 0.089 0.000 0.768 177 P CB 0.565 32.301 31.700 0.060 0.000 0.838 178 R N 0.118 120.657 120.500 0.065 0.000 2.712 178 R HA 0.453 4.793 4.340 -0.000 0.000 0.272 178 R C -1.267 175.052 176.300 0.032 0.000 1.032 178 R CA -0.978 55.147 56.100 0.043 0.000 0.874 178 R CB 1.163 31.485 30.300 0.037 0.000 1.256 178 R HN 0.240 nan 8.270 nan 0.000 0.468 179 E N 0.620 120.829 120.200 0.015 0.000 2.301 179 E HA 0.230 4.579 4.350 -0.000 0.000 0.275 179 E C -1.044 175.560 176.600 0.007 0.000 1.030 179 E CA -0.314 56.094 56.400 0.012 0.000 0.852 179 E CB 1.242 30.943 29.700 0.001 0.000 1.060 179 E HN 0.416 nan 8.360 nan 0.000 0.401 180 D N -0.210 120.201 120.400 0.019 0.000 2.677 180 D HA 0.458 5.098 4.640 -0.000 0.000 0.298 180 D C -1.552 174.765 176.300 0.028 0.000 1.250 180 D CA -0.450 53.554 54.000 0.007 0.000 0.888 180 D CB 2.002 42.808 40.800 0.011 0.000 1.397 180 D HN 0.240 nan 8.370 nan 0.000 0.461 181 S N -0.327 115.374 115.700 0.002 0.000 2.541 181 S HA 0.607 5.077 4.470 -0.000 0.000 0.271 181 S C -1.402 173.203 174.600 0.009 0.000 1.133 181 S CA -0.596 57.632 58.200 0.046 0.000 0.876 181 S CB 0.856 64.047 63.200 -0.014 0.000 1.105 181 S HN 0.291 nan 8.310 nan 0.000 0.470 182 F N 2.374 122.279 119.950 -0.074 0.000 2.422 182 F HA 0.647 5.174 4.527 -0.000 0.000 0.333 182 F C 0.391 176.115 175.800 -0.126 0.000 1.095 182 F CA -1.003 56.934 58.000 -0.105 0.000 1.038 182 F CB 1.018 39.972 39.000 -0.076 0.000 1.156 182 F HN 0.463 nan 8.300 nan 0.000 0.483 183 I N 1.494 122.038 120.570 -0.043 0.000 2.603 183 I HA 0.581 4.751 4.170 -0.000 0.000 0.300 183 I C -0.517 175.531 176.117 -0.115 0.000 1.017 183 I CA -1.013 60.218 61.300 -0.114 0.000 1.098 183 I CB 1.986 39.844 38.000 -0.237 0.000 1.279 183 I HN 0.515 nan 8.210 nan 0.000 0.437 184 I N 3.803 124.321 120.570 -0.086 0.000 2.752 184 I HA -0.031 4.139 4.170 -0.000 0.000 0.287 184 I C 1.399 177.415 176.117 -0.167 0.000 1.188 184 I CA 0.538 61.805 61.300 -0.055 0.000 1.427 184 I CB 1.401 39.442 38.000 0.068 0.000 1.365 184 I HN 0.836 nan 8.210 nan 0.000 0.585 185 T N 6.017 120.508 114.554 -0.105 0.000 2.759 185 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 185 T C 1.779 176.395 174.700 -0.139 0.000 1.042 185 T CA 1.501 63.519 62.100 -0.137 0.000 1.140 185 T CB -0.254 68.582 68.868 -0.053 0.000 0.864 185 T HN 0.811 nan 8.240 nan 0.000 0.455 186 A N 1.347 124.119 122.820 -0.081 0.000 1.986 186 A HA 0.049 4.369 4.320 -0.000 0.000 0.220 186 A C 2.473 179.877 177.584 -0.301 0.000 1.171 186 A CA 1.792 53.812 52.037 -0.028 0.000 0.640 186 A CB -0.826 18.362 19.000 0.314 0.000 0.811 186 A HN 0.547 nan 8.150 nan 0.000 0.451 187 A N -0.858 121.542 122.820 -0.699 0.000 2.208 187 A HA 0.327 4.647 4.320 -0.000 0.000 0.209 187 A C 1.399 178.773 177.584 -0.350 0.000 1.161 187 A CA 0.740 52.255 52.037 -0.870 0.000 0.782 187 A CB -0.513 17.847 19.000 -1.067 0.000 0.816 187 A HN 0.475 nan 8.150 nan 0.000 0.477 188 S N 0.033 115.593 115.700 -0.235 0.000 2.549 188 S HA 0.009 4.479 4.470 -0.000 0.000 0.286 188 S C 1.065 175.698 174.600 0.055 0.000 1.314 188 S CA 0.109 58.273 58.200 -0.060 0.000 1.062 188 S CB 0.576 63.813 63.200 0.061 0.000 0.865 188 S HN 0.571 nan 8.310 nan 0.000 0.498 189 E N 3.291 123.547 120.200 0.093 0.000 2.209 189 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 189 E C 0.588 177.292 176.600 0.174 0.000 0.993 189 E CA 0.665 57.150 56.400 0.141 0.000 0.819 189 E CB 0.098 29.895 29.700 0.162 0.000 0.745 189 E HN 0.600 nan 8.360 nan 0.000 0.477 193 I N 0.285 120.957 120.570 0.171 0.000 2.252 193 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 193 I C 2.309 178.480 176.117 0.090 0.000 1.102 193 I CA 1.516 62.881 61.300 0.108 0.000 1.385 193 I CB -0.026 38.015 38.000 0.067 0.000 1.064 193 I HN 0.454 nan 8.210 nan 0.000 0.414 194 L N 1.053 122.325 121.223 0.081 0.000 2.079 194 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 194 L C 2.412 179.301 176.870 0.031 0.000 1.081 194 L CA 2.116 56.980 54.840 0.040 0.000 0.752 194 L CB -0.664 41.405 42.059 0.016 0.000 0.896 194 L HN 0.201 nan 8.230 nan 0.000 0.433 195 A N -1.633 121.238 122.820 0.085 0.000 2.167 195 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 195 A C 2.018 179.698 177.584 0.161 0.000 1.151 195 A CA 1.145 53.259 52.037 0.128 0.000 0.735 195 A CB -0.449 18.698 19.000 0.246 0.000 0.802 195 A HN 0.487 nan 8.150 nan 0.000 0.467 196 L N -0.997 120.291 121.223 0.109 0.000 2.638 196 L HA 0.164 4.504 4.340 -0.000 0.000 0.232 196 L C 0.405 177.280 176.870 0.007 0.000 1.099 196 L CA -0.148 54.702 54.840 0.017 0.000 0.883 196 L CB 0.371 42.432 42.059 0.004 0.000 1.136 196 L HN 0.082 nan 8.230 nan 0.000 0.492 197 S N -0.078 115.643 115.700 0.034 0.000 2.565 197 S HA 0.144 4.613 4.470 -0.000 0.000 0.274 197 S C 0.880 175.503 174.600 0.039 0.000 1.309 197 S CA -0.387 57.828 58.200 0.025 0.000 1.043 197 S CB 1.610 64.820 63.200 0.017 0.000 0.939 197 S HN 0.191 nan 8.310 nan 0.000 0.504 198 E N 0.979 121.203 120.200 0.041 0.000 2.389 198 E HA 0.069 4.419 4.350 -0.000 0.000 0.199 198 E C -0.123 176.554 176.600 0.129 0.000 0.978 198 E CA 0.201 56.648 56.400 0.077 0.000 0.912 198 E CB 0.313 30.046 29.700 0.055 0.000 0.907 198 E HN 0.782 nan 8.360 nan 0.000 0.494 202 D N 1.491 121.906 120.400 0.026 0.000 2.084 202 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 202 D C 1.846 178.152 176.300 0.011 0.000 0.990 202 D CA 1.626 55.636 54.000 0.017 0.000 0.826 202 D CB -0.021 40.792 40.800 0.022 0.000 0.971 202 D HN 0.236 nan 8.370 nan 0.000 0.453 203 L N 1.210 122.439 121.223 0.010 0.000 1.990 203 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 203 L C 2.323 179.193 176.870 0.000 0.000 1.072 203 L CA 2.173 57.017 54.840 0.005 0.000 0.755 203 L CB -0.724 41.334 42.059 -0.002 0.000 0.889 203 L HN -0.011 nan 8.230 nan 0.000 0.432 204 K N -0.806 119.595 120.400 0.000 0.000 2.097 204 K HA -0.243 4.076 4.320 -0.000 0.000 0.205 204 K C 2.165 178.756 176.600 -0.015 0.000 1.050 204 K CA 1.636 57.918 56.287 -0.008 0.000 0.938 204 K CB -0.180 32.318 32.500 -0.003 0.000 0.718 204 K HN 0.559 nan 8.250 nan 0.000 0.442 205 E N 0.481 120.677 120.200 -0.007 0.000 2.051 205 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 205 E C 1.994 178.586 176.600 -0.014 0.000 0.991 205 E CA 1.197 57.591 56.400 -0.009 0.000 0.799 205 E CB 0.105 29.804 29.700 -0.001 0.000 0.748 205 E HN 0.246 nan 8.360 nan 0.000 0.449 206 R N 0.156 120.650 120.500 -0.009 0.000 2.080 206 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 206 R C 2.654 178.936 176.300 -0.031 0.000 1.137 206 R CA 1.667 57.760 56.100 -0.012 0.000 0.943 206 R CB -0.511 29.789 30.300 -0.001 0.000 0.846 206 R HN 0.265 nan 8.270 nan 0.000 0.431 207 L N -0.274 120.928 121.223 -0.035 0.000 2.042 207 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 207 L C 2.604 179.413 176.870 -0.101 0.000 1.076 207 L CA 1.506 56.306 54.840 -0.067 0.000 0.749 207 L CB -0.889 41.134 42.059 -0.060 0.000 0.893 207 L HN 0.421 nan 8.230 nan 0.000 0.432 208 G N -0.138 108.617 108.800 -0.074 0.000 2.450 208 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 208 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 208 G C 1.673 176.527 174.900 -0.076 0.000 1.130 208 G CA 0.591 45.644 45.100 -0.078 0.000 0.760 208 G HN 0.342 nan 8.290 nan 0.000 0.557 209 K N -0.409 119.958 120.400 -0.055 0.000 2.418 209 K HA 0.235 4.554 4.320 -0.000 0.000 0.195 209 K C 0.607 177.179 176.600 -0.047 0.000 1.035 209 K CA -0.382 55.888 56.287 -0.028 0.000 1.003 209 K CB 0.177 32.678 32.500 0.001 0.000 0.793 209 K HN 0.287 nan 8.250 nan 0.000 0.494 210 I N 2.316 122.831 120.570 -0.092 0.000 2.752 210 I HA -0.115 4.055 4.170 -0.000 0.000 0.289 210 I C 0.273 176.329 176.117 -0.101 0.000 1.197 210 I CA 0.273 61.508 61.300 -0.109 0.000 1.432 210 I CB 0.289 38.178 38.000 -0.185 0.000 1.359 210 I HN -0.001 nan 8.210 nan 0.000 0.571 211 I N 7.224 127.759 120.570 -0.058 0.000 2.352 211 I HA 0.025 4.194 4.170 -0.000 0.000 0.290 211 I C 1.086 177.262 176.117 0.099 0.000 1.036 211 I CA -0.124 61.171 61.300 -0.008 0.000 1.336 211 I CB 1.140 39.090 38.000 -0.083 0.000 1.407 211 I HN 0.537 nan 8.210 nan 0.000 0.497 212 V N 3.429 123.410 119.914 0.111 0.000 3.085 212 V HA 0.644 4.764 4.120 -0.000 0.000 0.245 212 V C 0.678 176.939 176.094 0.278 0.000 1.114 212 V CA 0.718 63.107 62.300 0.148 0.000 1.108 212 V CB 0.136 31.887 31.823 -0.120 0.000 0.798 212 V HN 0.767 nan 8.190 nan 0.000 0.471 213 A N -0.408 122.576 122.820 0.274 0.000 2.540 213 A HA 0.719 5.039 4.320 -0.000 0.000 0.291 213 A C -1.503 176.175 177.584 0.157 0.000 1.083 213 A CA -0.701 51.377 52.037 0.068 0.000 0.650 213 A CB 0.779 19.749 19.000 -0.049 0.000 1.292 213 A HN 0.281 nan 8.150 nan 0.000 0.435 214 L N 1.512 122.735 121.223 -0.001 0.000 2.334 214 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 214 L C -0.097 176.783 176.870 0.015 0.000 1.036 214 L CA -0.932 53.956 54.840 0.079 0.000 0.807 214 L CB 1.583 43.707 42.059 0.109 0.000 1.231 214 L HN 0.994 nan 8.230 nan 0.000 0.438 215 D N 1.478 121.903 120.400 0.041 0.000 2.506 215 D HA 0.224 4.863 4.640 -0.000 0.000 0.272 215 D C 0.880 177.192 176.300 0.021 0.000 1.214 215 D CA -0.330 53.682 54.000 0.020 0.000 1.067 215 D CB 0.946 41.761 40.800 0.025 0.000 1.117 215 D HN 0.490 nan 8.370 nan 0.000 0.578 216 A N -0.606 122.220 122.820 0.010 0.000 2.125 216 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 216 A C 1.110 178.708 177.584 0.023 0.000 1.156 216 A CA 1.322 53.363 52.037 0.007 0.000 0.671 216 A CB -0.463 18.535 19.000 -0.004 0.000 0.794 216 A HN 0.531 nan 8.150 nan 0.000 0.459 217 D N -1.076 119.345 120.400 0.035 0.000 2.395 217 D HA 0.109 4.749 4.640 -0.000 0.000 0.213 217 D C 0.064 176.408 176.300 0.073 0.000 1.110 217 D CA -0.064 53.963 54.000 0.045 0.000 0.835 217 D CB 0.222 41.045 40.800 0.039 0.000 0.965 217 D HN 0.214 nan 8.370 nan 0.000 0.505 218 R N 0.195 120.748 120.500 0.089 0.000 3.936 218 R HA -0.155 4.185 4.340 -0.000 0.000 0.366 218 R C -0.144 176.268 176.300 0.188 0.000 1.158 218 R CA 0.513 56.702 56.100 0.148 0.000 0.969 218 R CB -2.618 27.783 30.300 0.168 0.000 1.504 218 R HN 0.317 nan 8.270 nan 0.000 0.538 219 K N 0.980 121.459 120.400 0.132 0.000 2.218 219 K HA 0.365 4.685 4.320 -0.000 0.000 0.276 219 K C 0.897 177.558 176.600 0.101 0.000 1.022 219 K CA -0.525 55.833 56.287 0.118 0.000 0.946 219 K CB 0.759 33.305 32.500 0.076 0.000 1.000 219 K HN 0.020 nan 8.250 nan 0.000 0.468 220 I N 2.781 123.383 120.570 0.054 0.000 2.683 220 I HA -0.066 4.104 4.170 -0.000 0.000 0.286 220 I C -0.140 176.007 176.117 0.050 0.000 1.175 220 I CA -0.076 61.259 61.300 0.058 0.000 1.429 220 I CB 0.481 38.467 38.000 -0.023 0.000 1.371 220 I HN 0.184 nan 8.210 nan 0.000 0.569 221 V N 7.818 127.771 119.914 0.065 0.000 2.370 221 V HA 0.426 4.546 4.120 -0.000 0.000 0.283 221 V C 0.288 176.380 176.094 -0.005 0.000 1.023 221 V CA -0.647 61.659 62.300 0.010 0.000 0.857 221 V CB 1.334 33.148 31.823 -0.015 0.000 0.985 221 V HN 0.677 nan 8.190 nan 0.000 0.443 222 R N 2.835 123.308 120.500 -0.044 0.000 2.758 222 R HA 0.579 4.919 4.340 -0.000 0.000 0.265 222 R C 1.102 177.320 176.300 -0.136 0.000 1.016 222 R CA -0.899 55.157 56.100 -0.075 0.000 1.040 222 R CB 1.730 32.001 30.300 -0.048 0.000 1.152 222 R HN 0.570 nan 8.270 nan 0.000 0.503 223 I N 0.582 121.040 120.570 -0.186 0.000 2.194 223 I HA -0.342 3.828 4.170 -0.000 0.000 0.246 223 I C 2.095 178.115 176.117 -0.162 0.000 1.093 223 I CA 1.836 62.997 61.300 -0.231 0.000 1.355 223 I CB -0.355 37.471 38.000 -0.289 0.000 1.046 223 I HN 0.682 nan 8.210 nan 0.000 0.413 224 S N -0.047 115.582 115.700 -0.118 0.000 2.442 224 S HA -0.187 4.283 4.470 -0.000 0.000 0.236 224 S C 1.463 176.012 174.600 -0.085 0.000 1.007 224 S CA 1.166 59.313 58.200 -0.087 0.000 0.965 224 S CB -0.436 62.728 63.200 -0.060 0.000 0.773 224 S HN 0.430 nan 8.310 nan 0.000 0.504 225 D N 1.467 121.808 120.400 -0.099 0.000 2.224 225 D HA 0.089 4.729 4.640 -0.000 0.000 0.205 225 D C 1.678 177.893 176.300 -0.141 0.000 0.965 225 D CA 0.735 54.672 54.000 -0.104 0.000 0.852 225 D CB -0.085 40.653 40.800 -0.103 0.000 0.947 225 D HN 0.419 nan 8.370 nan 0.000 0.494 226 L N -0.709 120.418 121.223 -0.161 0.000 2.463 226 L HA 0.181 4.520 4.340 -0.000 0.000 0.219 226 L C 1.339 178.143 176.870 -0.110 0.000 1.088 226 L CA 0.396 55.132 54.840 -0.173 0.000 0.849 226 L CB 0.227 42.168 42.059 -0.198 0.000 1.012 226 L HN 0.046 nan 8.230 nan 0.000 0.468 227 G N 1.616 110.357 108.800 -0.099 0.000 2.182 227 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 227 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 227 G C 0.534 175.396 174.900 -0.064 0.000 1.042 227 G CA 0.525 45.583 45.100 -0.070 0.000 0.775 227 G HN 0.558 nan 8.290 nan 0.000 0.501 228 I N -2.894 117.626 120.570 -0.083 0.000 3.947 228 I HA 0.293 4.463 4.170 -0.000 0.000 0.327 228 I C 1.935 178.008 176.117 -0.074 0.000 1.519 228 I CA 0.285 61.543 61.300 -0.070 0.000 1.122 228 I CB 0.367 38.325 38.000 -0.071 0.000 1.146 228 I HN 0.156 nan 8.210 nan 0.000 0.442 229 Q N 1.954 121.706 119.800 -0.080 0.000 2.181 229 Q HA -0.109 4.231 4.340 -0.000 0.000 0.205 229 Q C 1.736 177.711 176.000 -0.041 0.000 0.980 229 Q CA 2.209 57.969 55.803 -0.071 0.000 0.862 229 Q CB -1.130 27.565 28.738 -0.072 0.000 0.905 229 Q HN 0.550 nan 8.270 nan 0.000 0.429 230 G N 1.567 110.348 108.800 -0.032 0.000 2.421 230 G HA2 0.022 3.982 3.960 -0.000 0.000 0.216 230 G HA3 0.022 3.982 3.960 -0.000 0.000 0.216 230 G C 0.895 175.789 174.900 -0.011 0.000 1.171 230 G CA 1.179 46.269 45.100 -0.017 0.000 0.775 230 G HN 0.690 nan 8.290 nan 0.000 0.543 234 V N 1.537 121.460 119.914 0.015 0.000 2.282 234 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 234 V C 2.450 178.559 176.094 0.025 0.000 1.057 234 V CA 2.425 64.736 62.300 0.018 0.000 1.032 234 V CB -0.829 31.001 31.823 0.013 0.000 0.645 234 V HN 0.559 nan 8.190 nan 0.000 0.447 235 L N -0.951 120.290 121.223 0.030 0.000 2.362 235 L HA -0.074 4.266 4.340 -0.000 0.000 0.219 235 L C 1.805 178.705 176.870 0.051 0.000 1.134 235 L CA 1.052 55.917 54.840 0.043 0.000 0.807 235 L CB -0.232 41.858 42.059 0.052 0.000 0.927 235 L HN 0.329 nan 8.230 nan 0.000 0.447 236 L N -1.008 120.242 121.223 0.044 0.000 2.728 236 L HA 0.056 4.396 4.340 -0.000 0.000 0.238 236 L C 2.170 179.063 176.870 0.038 0.000 1.143 236 L CA -0.042 54.827 54.840 0.048 0.000 0.937 236 L CB -0.110 41.975 42.059 0.044 0.000 1.225 236 L HN 0.102 nan 8.230 nan 0.000 0.507 237 K N 0.719 121.139 120.400 0.034 0.000 2.097 237 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 237 K C 0.894 177.518 176.600 0.040 0.000 1.049 237 K CA 1.570 57.876 56.287 0.033 0.000 0.933 237 K CB 0.236 32.752 32.500 0.028 0.000 0.717 237 K HN 0.330 nan 8.250 nan 0.000 0.442 238 D N -0.202 120.221 120.400 0.039 0.000 2.271 238 D HA -0.004 4.635 4.640 -0.000 0.000 0.206 238 D C 1.633 177.976 176.300 0.072 0.000 0.967 238 D CA 0.720 54.749 54.000 0.047 0.000 0.867 238 D CB 0.110 40.941 40.800 0.052 0.000 0.960 238 D HN 0.246 nan 8.370 nan 0.000 0.509 239 A N 1.036 123.903 122.820 0.078 0.000 2.067 239 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 239 A C 2.126 179.844 177.584 0.224 0.000 1.158 239 A CA 0.397 52.504 52.037 0.116 0.000 0.661 239 A CB -0.621 18.435 19.000 0.093 0.000 0.801 239 A HN 0.237 nan 8.150 nan 0.000 0.452 240 I N -0.420 120.228 120.570 0.130 0.000 3.001 240 I HA -0.068 4.102 4.170 -0.000 0.000 0.268 240 I C -0.349 175.829 176.117 0.101 0.000 1.267 240 I CA 0.160 61.524 61.300 0.107 0.000 1.472 240 I CB -0.123 37.777 38.000 -0.167 0.000 1.089 240 I HN 0.175 nan 8.210 nan 0.000 0.468 241 N N 3.121 121.850 118.700 0.048 0.000 2.422 241 N HA 0.260 5.000 4.740 -0.000 0.000 0.264 241 N C -2.448 172.813 175.510 -0.415 0.000 1.063 241 N CA -1.567 51.467 53.050 -0.027 0.000 0.959 241 N CB 0.578 39.156 38.487 0.151 0.000 1.087 241 N HN 0.052 nan 8.380 nan 0.000 0.483 242 P HA 0.080 nan 4.420 nan 0.000 0.272 242 P C -0.675 176.482 177.300 -0.239 0.000 1.230 242 P CA -0.184 62.503 63.100 -0.688 0.000 0.788 242 P CB 0.877 32.401 31.700 -0.293 0.000 0.949 243 N N 1.490 120.116 118.700 -0.122 0.000 2.424 243 N HA 0.289 5.029 4.740 -0.000 0.000 0.271 243 N C -0.671 174.892 175.510 0.088 0.000 0.985 243 N CA -0.495 52.522 53.050 -0.055 0.000 0.921 243 N CB 1.316 39.711 38.487 -0.152 0.000 1.149 243 N HN 0.311 nan 8.380 nan 0.000 0.492 244 L N 3.672 124.938 121.223 0.073 0.000 2.264 244 L HA 0.454 4.793 4.340 -0.000 0.000 0.289 244 L C -0.084 176.878 176.870 0.153 0.000 1.044 244 L CA -0.388 54.515 54.840 0.105 0.000 0.807 244 L CB 0.851 42.950 42.059 0.067 0.000 1.192 244 L HN 0.409 nan 8.230 nan 0.000 0.425 245 V N 2.240 122.250 119.914 0.160 0.000 3.087 245 V HA 0.740 4.860 4.120 -0.000 0.000 0.311 245 V C -1.039 175.116 176.094 0.102 0.000 1.333 245 V CA -0.608 61.788 62.300 0.159 0.000 1.054 245 V CB 1.524 33.456 31.823 0.182 0.000 1.123 245 V HN 0.918 nan 8.190 nan 0.000 0.473 246 Q N 0.108 119.955 119.800 0.077 0.000 2.544 246 Q HA 0.666 5.006 4.340 -0.000 0.000 0.291 246 Q C -0.708 175.303 176.000 0.017 0.000 1.068 246 Q CA -0.269 55.562 55.803 0.047 0.000 0.785 246 Q CB 2.027 30.795 28.738 0.050 0.000 1.481 246 Q HN 1.043 nan 8.270 nan 0.000 0.430 247 T N -2.176 112.382 114.554 0.007 0.000 2.862 247 T HA 0.208 4.558 4.350 -0.000 0.000 0.276 247 T C 1.013 175.698 174.700 -0.024 0.000 0.974 247 T CA 0.174 62.266 62.100 -0.012 0.000 0.966 247 T CB 0.907 69.769 68.868 -0.010 0.000 1.072 247 T HN 0.599 nan 8.240 nan 0.000 0.538 248 T N 0.643 115.173 114.554 -0.040 0.000 2.751 248 T HA -0.134 4.215 4.350 -0.000 0.000 0.268 248 T C 1.186 175.862 174.700 -0.040 0.000 1.045 248 T CA 1.882 63.951 62.100 -0.051 0.000 1.142 248 T CB -0.316 68.511 68.868 -0.068 0.000 0.851 248 T HN 0.757 nan 8.240 nan 0.000 0.474 249 E N -0.565 119.619 120.200 -0.028 0.000 2.558 249 E HA 0.368 4.718 4.350 -0.000 0.000 0.205 249 E C 1.125 177.720 176.600 -0.007 0.000 1.006 249 E CA -0.043 56.345 56.400 -0.020 0.000 0.961 249 E CB 0.584 30.272 29.700 -0.020 0.000 1.044 249 E HN 0.424 nan 8.360 nan 0.000 0.465 250 G N 2.486 111.284 108.800 -0.003 0.000 2.160 250 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.251 250 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.251 250 G C 0.449 175.360 174.900 0.019 0.000 1.008 250 G CA 0.748 45.855 45.100 0.012 0.000 0.724 250 G HN 0.359 nan 8.290 nan 0.000 0.514 251 T N -1.506 113.057 114.554 0.015 0.000 2.934 251 T HA 0.721 5.070 4.350 -0.000 0.000 0.283 251 T C -2.511 172.207 174.700 0.030 0.000 1.005 251 T CA -1.890 60.223 62.100 0.022 0.000 1.041 251 T CB 2.818 71.695 68.868 0.015 0.000 1.042 251 T HN 0.047 nan 8.240 nan 0.000 0.505 252 P HA 0.528 nan 4.420 nan 0.000 0.278 252 P C -1.280 176.047 177.300 0.046 0.000 1.238 252 P CA -0.484 62.644 63.100 0.047 0.000 0.794 252 P CB 0.712 32.443 31.700 0.050 0.000 0.955 253 A N 3.133 125.987 122.820 0.057 0.000 2.422 253 A HA 0.692 5.012 4.320 -0.000 0.000 0.302 253 A C -1.299 176.335 177.584 0.084 0.000 1.041 253 A CA -0.700 51.372 52.037 0.058 0.000 0.708 253 A CB 0.957 19.983 19.000 0.045 0.000 1.257 253 A HN 0.438 nan 8.150 nan 0.000 0.414 254 L N 2.905 124.180 121.223 0.087 0.000 2.305 254 L HA 0.567 4.907 4.340 -0.000 0.000 0.284 254 L C -0.903 176.053 176.870 0.143 0.000 1.013 254 L CA -0.284 54.624 54.840 0.114 0.000 0.819 254 L CB 1.430 43.550 42.059 0.101 0.000 1.227 254 L HN 0.584 nan 8.230 nan 0.000 0.417 255 I N 3.296 123.992 120.570 0.210 0.000 2.410 255 I HA 0.388 4.558 4.170 -0.000 0.000 0.286 255 I C -0.654 175.685 176.117 0.371 0.000 1.009 255 I CA -0.420 61.029 61.300 0.247 0.000 1.111 255 I CB 1.454 39.584 38.000 0.217 0.000 1.262 255 I HN 0.634 nan 8.210 nan 0.000 0.443 256 H N 5.930 125.093 119.070 0.154 0.000 3.235 256 H HA 0.265 4.821 4.556 -0.000 0.000 0.324 256 H C -0.929 174.466 175.328 0.112 0.000 1.059 256 H CA -0.248 55.880 56.048 0.132 0.000 1.497 256 H CB 1.710 31.540 29.762 0.113 0.000 1.986 256 H HN 0.946 nan 8.280 nan 0.000 0.444 257 C N 1.800 121.047 119.300 -0.089 0.000 0.168 257 C HA -0.083 4.377 4.460 -0.000 0.000 0.017 257 C C 1.171 176.154 174.990 -0.012 0.000 0.171 257 C CA 0.281 59.231 59.018 -0.112 0.000 0.499 257 C CB -0.999 26.613 27.740 -0.214 0.000 3.212 257 C HN 1.167 nan 8.230 nan 0.000 1.118 258 G N 1.404 110.202 108.800 -0.003 0.000 4.973 258 G HA2 0.546 4.506 3.960 -0.000 0.000 0.211 258 G HA3 0.546 4.506 3.960 -0.000 0.000 0.211 258 G C -2.190 172.737 174.900 0.045 0.000 0.784 258 G CA -0.026 45.082 45.100 0.014 0.000 0.657 258 G HN 0.731 nan 8.290 nan 0.000 0.480 259 P HA 0.280 nan 4.420 nan 0.000 0.272 259 P C -0.232 177.140 177.300 0.120 0.000 1.223 259 P CA -0.335 62.790 63.100 0.042 0.000 0.784 259 P CB 1.212 32.846 31.700 -0.109 0.000 0.923 260 F N 0.757 120.662 119.950 -0.075 0.000 2.553 260 F HA 0.143 4.670 4.527 -0.000 0.000 0.356 260 F C 1.782 177.507 175.800 -0.124 0.000 1.142 260 F CA -0.131 57.818 58.000 -0.085 0.000 1.322 260 F CB -0.321 38.689 39.000 0.017 0.000 1.126 260 F HN 0.415 nan 8.300 nan 0.000 0.599 261 A N 2.181 124.912 122.820 -0.149 0.000 2.275 261 A HA 0.041 4.361 4.320 -0.000 0.000 0.212 261 A C 1.358 179.037 177.584 0.158 0.000 1.201 261 A CA 0.568 52.517 52.037 -0.147 0.000 0.843 261 A CB -0.717 17.961 19.000 -0.536 0.000 0.873 261 A HN 0.757 nan 8.150 nan 0.000 0.492 262 N N 0.832 119.705 118.700 0.288 0.000 2.523 262 N HA -0.006 4.734 4.740 -0.000 0.000 0.209 262 N C 1.355 177.000 175.510 0.225 0.000 1.039 262 N CA 1.196 54.435 53.050 0.315 0.000 1.002 262 N CB -0.942 37.760 38.487 0.359 0.000 1.270 262 N HN 0.467 nan 8.380 nan 0.000 0.481 263 I N -2.845 117.906 120.570 0.300 0.000 3.444 263 I HA 0.470 4.640 4.170 -0.000 0.000 0.287 263 I C 0.766 177.038 176.117 0.259 0.000 1.302 263 I CA -0.112 61.352 61.300 0.273 0.000 1.368 263 I CB -0.135 38.089 38.000 0.374 0.000 1.048 263 I HN 0.316 nan 8.210 nan 0.000 0.487 264 A N 1.174 124.118 122.820 0.207 0.000 2.681 264 A HA 0.459 4.779 4.320 -0.000 0.000 0.278 264 A C 0.766 178.371 177.584 0.035 0.000 1.272 264 A CA -0.055 52.084 52.037 0.170 0.000 0.750 264 A CB 0.018 19.232 19.000 0.357 0.000 1.351 264 A HN 0.429 nan 8.150 nan 0.000 0.514 265 H N -0.724 118.366 119.070 0.033 0.000 2.553 265 H HA 0.290 4.846 4.556 -0.000 0.000 0.265 265 H C 1.053 176.452 175.328 0.119 0.000 0.964 265 H CA 0.978 57.069 56.048 0.071 0.000 1.156 265 H CB -0.307 29.602 29.762 0.245 0.000 1.411 265 H HN 1.860 nan 8.280 nan 0.000 0.558 266 G N 0.910 109.562 108.800 -0.247 0.000 2.221 266 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.265 266 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.265 266 G C 0.017 174.865 174.900 -0.088 0.000 1.041 266 G CA 0.952 45.955 45.100 -0.161 0.000 0.807 266 G HN 0.814 nan 8.290 nan 0.000 0.502 267 T N -0.612 113.894 114.554 -0.080 0.000 2.816 267 T HA 0.566 4.916 4.350 -0.000 0.000 0.299 267 T C 0.600 175.343 174.700 0.072 0.000 1.230 267 T CA 0.086 62.234 62.100 0.079 0.000 1.007 267 T CB 0.829 69.902 68.868 0.342 0.000 1.289 267 T HN 0.612 nan 8.240 nan 0.000 0.508 268 N N 0.988 119.758 118.700 0.117 0.000 2.288 268 N HA 0.114 4.854 4.740 -0.000 0.000 0.237 268 N C 0.229 175.843 175.510 0.175 0.000 1.311 268 N CA -0.374 52.748 53.050 0.118 0.000 0.909 268 N CB 0.241 38.803 38.487 0.125 0.000 1.167 268 N HN 0.691 nan 8.380 nan 0.000 0.476 269 S N -0.737 115.046 115.700 0.138 0.000 2.568 269 S HA 0.024 4.494 4.470 -0.000 0.000 0.282 269 S C 1.700 176.434 174.600 0.224 0.000 1.338 269 S CA -0.674 57.620 58.200 0.157 0.000 1.045 269 S CB 0.035 63.308 63.200 0.122 0.000 0.873 269 S HN 0.653 nan 8.310 nan 0.000 0.516 270 I N 0.176 120.872 120.570 0.211 0.000 2.454 270 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 270 I C 1.867 178.120 176.117 0.227 0.000 1.156 270 I CA 1.223 62.670 61.300 0.245 0.000 1.433 270 I CB -0.480 37.616 38.000 0.160 0.000 1.082 270 I HN 0.640 nan 8.210 nan 0.000 0.432 271 I N 2.050 122.749 120.570 0.216 0.000 2.179 271 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 271 I C 3.009 179.241 176.117 0.191 0.000 1.088 271 I CA 1.538 62.963 61.300 0.207 0.000 1.357 271 I CB -0.453 37.689 38.000 0.237 0.000 1.051 271 I HN 0.338 nan 8.210 nan 0.000 0.409 272 A N -0.053 122.907 122.820 0.232 0.000 1.930 272 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 272 A C 2.373 180.027 177.584 0.116 0.000 1.175 272 A CA 2.283 54.426 52.037 0.177 0.000 0.627 272 A CB -0.962 18.172 19.000 0.223 0.000 0.815 272 A HN 0.367 nan 8.150 nan 0.000 0.443 273 T N 0.261 114.881 114.554 0.110 0.000 2.812 273 T HA -0.012 4.338 4.350 -0.000 0.000 0.264 273 T C 1.146 175.826 174.700 -0.033 0.000 1.042 273 T CA 1.113 63.212 62.100 -0.000 0.000 1.140 273 T CB -0.126 68.700 68.868 -0.069 0.000 0.870 273 T HN 0.474 nan 8.240 nan 0.000 0.445 279 L N 1.595 122.834 121.223 0.026 0.000 2.766 279 L HA 0.240 4.580 4.340 -0.000 0.000 0.242 279 L C 0.400 177.300 176.870 0.051 0.000 1.136 279 L CA 0.042 54.913 54.840 0.052 0.000 0.933 279 L CB 0.803 42.906 42.059 0.073 0.000 1.241 279 L HN 0.088 nan 8.230 nan 0.000 0.522 280 S N -2.659 113.063 115.700 0.037 0.000 2.607 280 S HA 0.263 4.733 4.470 -0.000 0.000 0.273 280 S C 0.298 174.905 174.600 0.013 0.000 1.148 280 S CA -0.730 57.495 58.200 0.042 0.000 0.833 280 S CB 2.333 65.568 63.200 0.057 0.000 1.130 280 S HN 0.117 nan 8.310 nan 0.000 0.470 281 E N -0.315 119.904 120.200 0.032 0.000 2.076 281 E HA 0.043 4.393 4.350 -0.000 0.000 0.190 281 E C -0.759 175.684 176.600 -0.261 0.000 0.979 281 E CA 0.784 57.147 56.400 -0.061 0.000 0.807 281 E CB 0.120 29.848 29.700 0.046 0.000 0.761 281 E HN 0.673 nan 8.360 nan 0.000 0.454 282 Y N 0.188 120.491 120.300 0.005 0.000 2.338 282 Y HA 0.271 4.821 4.550 -0.000 0.000 0.328 282 Y C -0.713 175.180 175.900 -0.013 0.000 0.965 282 Y CA -0.666 57.431 58.100 -0.005 0.000 1.208 282 Y CB 2.064 40.521 38.460 -0.005 0.000 1.132 282 Y HN -0.255 nan 8.280 nan 0.000 0.469 283 T N 4.183 118.772 114.554 0.058 0.000 2.728 283 T HA 0.383 4.733 4.350 -0.000 0.000 0.296 283 T C -0.269 174.440 174.700 0.015 0.000 0.940 283 T CA -0.478 61.635 62.100 0.022 0.000 1.013 283 T CB 0.309 69.157 68.868 -0.034 0.000 0.912 283 T HN 0.245 nan 8.240 nan 0.000 0.484 284 V N 5.086 125.009 119.914 0.015 0.000 2.333 284 V HA 0.437 4.557 4.120 -0.000 0.000 0.274 284 V C 0.333 176.397 176.094 -0.050 0.000 1.028 284 V CA -0.553 61.737 62.300 -0.016 0.000 0.851 284 V CB 1.161 32.981 31.823 -0.005 0.000 1.000 284 V HN 0.928 nan 8.190 nan 0.000 0.456 285 T N 4.412 118.900 114.554 -0.109 0.000 2.861 285 T HA 0.450 4.800 4.350 -0.000 0.000 0.287 285 T C -0.503 174.069 174.700 -0.213 0.000 1.003 285 T CA -0.513 61.507 62.100 -0.134 0.000 0.977 285 T CB 2.104 70.888 68.868 -0.140 0.000 0.996 285 T HN 0.783 nan 8.240 nan 0.000 0.448 286 E N 1.340 121.454 120.200 -0.143 0.000 2.214 286 E HA 0.689 5.039 4.350 -0.000 0.000 0.274 286 E C -1.029 175.487 176.600 -0.140 0.000 0.977 286 E CA -0.811 55.502 56.400 -0.145 0.000 0.827 286 E CB 0.999 30.647 29.700 -0.087 0.000 1.130 286 E HN 0.755 nan 8.360 nan 0.000 0.394 287 A N 2.691 125.424 122.820 -0.145 0.000 2.386 287 A HA 0.668 4.988 4.320 -0.000 0.000 0.311 287 A C 0.025 177.562 177.584 -0.078 0.000 1.068 287 A CA -0.254 51.742 52.037 -0.069 0.000 0.743 287 A CB 1.502 20.482 19.000 -0.033 0.000 1.258 287 A HN 0.700 nan 8.150 nan 0.000 0.429 288 G N 0.562 109.293 108.800 -0.113 0.000 2.554 288 G HA2 0.476 4.436 3.960 -0.000 0.000 0.238 288 G HA3 0.476 4.436 3.960 -0.000 0.000 0.238 288 G C 0.060 174.895 174.900 -0.108 0.000 1.259 288 G CA 0.411 45.360 45.100 -0.251 0.000 0.843 288 G HN 0.892 nan 8.290 nan 0.000 0.582 289 F N -0.896 119.021 119.950 -0.054 0.000 2.181 289 F HA -0.169 4.358 4.527 -0.000 0.000 0.317 289 F C 1.558 177.322 175.800 -0.060 0.000 0.129 289 F CA 0.552 58.521 58.000 -0.051 0.000 0.911 289 F CB -1.443 37.539 39.000 -0.030 0.000 4.128 289 F HN 0.926 nan 8.300 nan 0.000 0.142 290 G N -0.560 108.351 108.800 0.186 0.000 2.562 290 G HA2 0.566 4.525 3.960 -0.000 0.000 0.275 290 G HA3 0.566 4.525 3.960 -0.000 0.000 0.275 290 G C 0.646 175.542 174.900 -0.007 0.000 1.196 290 G CA -0.153 44.934 45.100 -0.023 0.000 0.908 290 G HN 1.289 nan 8.290 nan 0.000 0.524 291 A N -0.144 122.564 122.820 -0.186 0.000 2.125 291 A HA -0.061 4.258 4.320 -0.000 0.000 0.219 291 A C 1.912 179.640 177.584 0.240 0.000 1.156 291 A CA 1.992 54.041 52.037 0.020 0.000 0.671 291 A CB -0.320 18.690 19.000 0.017 0.000 0.794 291 A HN 0.706 nan 8.150 nan 0.000 0.459 292 D N -0.556 120.049 120.400 0.342 0.000 2.277 292 D HA -0.037 4.603 4.640 -0.000 0.000 0.208 292 D C 1.586 178.121 176.300 0.393 0.000 0.962 292 D CA 0.679 54.933 54.000 0.423 0.000 0.865 292 D CB -0.145 40.945 40.800 0.484 0.000 0.939 292 D HN 0.506 nan 8.370 nan 0.000 0.510 293 L N -0.044 121.356 121.223 0.294 0.000 2.783 293 L HA 0.276 4.615 4.340 -0.000 0.000 0.174 293 L C 2.716 179.717 176.870 0.218 0.000 1.235 293 L CA 0.725 55.729 54.840 0.274 0.000 0.862 293 L CB -0.717 41.523 42.059 0.302 0.000 1.249 293 L HN 0.065 nan 8.230 nan 0.000 0.518 294 G N -0.162 108.746 108.800 0.181 0.000 2.421 294 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 294 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 294 G C 1.657 176.636 174.900 0.132 0.000 1.171 294 G CA 0.975 46.150 45.100 0.125 0.000 0.775 294 G HN 0.430 nan 8.290 nan 0.000 0.543 295 A N 0.523 123.395 122.820 0.087 0.000 1.873 295 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 295 A C 2.205 179.772 177.584 -0.029 0.000 1.186 295 A CA 2.031 54.084 52.037 0.028 0.000 0.616 295 A CB -0.488 18.526 19.000 0.024 0.000 0.823 295 A HN 0.360 nan 8.150 nan 0.000 0.442 296 E N 0.606 120.844 120.200 0.062 0.000 2.085 296 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 296 E C 1.842 178.457 176.600 0.025 0.000 0.994 296 E CA 1.782 58.207 56.400 0.042 0.000 0.801 296 E CB -0.203 29.663 29.700 0.278 0.000 0.743 296 E HN 0.660 nan 8.360 nan 0.000 0.453 297 K N -0.637 119.841 120.400 0.131 0.000 2.155 297 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 297 K C 2.106 178.806 176.600 0.166 0.000 1.052 297 K CA 0.932 57.323 56.287 0.174 0.000 0.948 297 K CB -0.292 32.322 32.500 0.190 0.000 0.728 297 K HN 0.077 nan 8.250 nan 0.000 0.448 298 F N 1.411 121.367 119.950 0.011 0.000 2.171 298 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 298 F C 1.720 177.464 175.800 -0.093 0.000 1.090 298 F CA 1.177 59.175 58.000 -0.003 0.000 1.293 298 F CB 0.188 39.167 39.000 -0.034 0.000 1.013 298 F HN -0.086 nan 8.300 nan 0.000 0.486 299 I N -0.387 120.121 120.570 -0.103 0.000 2.429 299 I HA -0.145 4.025 4.170 -0.000 0.000 0.247 299 I C 1.810 177.904 176.117 -0.038 0.000 1.099 299 I CA 1.029 62.180 61.300 -0.248 0.000 1.422 299 I CB -1.281 36.285 38.000 -0.723 0.000 1.112 299 I HN 0.051 nan 8.210 nan 0.000 0.430 300 D N -0.063 120.302 120.400 -0.059 0.000 2.234 300 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 300 D C 1.759 178.027 176.300 -0.053 0.000 0.962 300 D CA 1.118 55.071 54.000 -0.078 0.000 0.855 300 D CB 0.279 40.959 40.800 -0.200 0.000 0.951 300 D HN 0.251 nan 8.370 nan 0.000 0.500 301 F N 0.147 120.013 119.950 -0.141 0.000 2.522 301 F HA 0.042 4.568 4.527 -0.000 0.000 0.275 301 F C 1.974 177.633 175.800 -0.234 0.000 0.890 301 F CA 0.227 58.148 58.000 -0.132 0.000 1.157 301 F CB -0.470 38.490 39.000 -0.066 0.000 1.117 301 F HN -0.303 nan 8.300 nan 0.000 0.787 302 V N 0.167 119.775 119.914 -0.509 0.000 2.295 302 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 302 V C 2.414 177.993 176.094 -0.858 0.000 1.049 302 V CA 2.212 64.067 62.300 -0.742 0.000 1.024 302 V CB -1.240 30.266 31.823 -0.529 0.000 0.648 302 V HN 0.397 nan 8.190 nan 0.000 0.447 303 S N -0.451 114.801 115.700 -0.747 0.000 2.383 303 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 303 S C 2.139 176.347 174.600 -0.654 0.000 1.030 303 S CA 1.664 59.411 58.200 -0.755 0.000 1.002 303 S CB -0.311 62.758 63.200 -0.219 0.000 0.829 303 S HN 0.534 nan 8.310 nan 0.000 0.467 304 R N 0.255 120.465 120.500 -0.484 0.000 2.115 304 R HA 0.034 4.374 4.340 -0.000 0.000 0.226 304 R C 2.113 178.145 176.300 -0.447 0.000 1.100 304 R CA 0.871 56.721 56.100 -0.417 0.000 0.980 304 R CB -0.306 29.741 30.300 -0.422 0.000 0.875 304 R HN 0.237 nan 8.270 nan 0.000 0.445 305 V N -0.519 119.039 119.914 -0.592 0.000 2.453 305 V HA -0.069 4.051 4.120 -0.000 0.000 0.247 305 V C 2.126 177.936 176.094 -0.475 0.000 1.048 305 V CA 2.015 64.007 62.300 -0.513 0.000 1.049 305 V CB -0.424 31.006 31.823 -0.655 0.000 0.672 305 V HN 0.511 nan 8.190 nan 0.000 0.457 306 G N -0.696 107.662 108.800 -0.738 0.000 2.712 306 G HA2 0.267 4.227 3.960 -0.000 0.000 0.212 306 G HA3 0.267 4.227 3.960 -0.000 0.000 0.212 306 G C 1.246 175.798 174.900 -0.579 0.000 1.142 306 G CA 0.593 45.231 45.100 -0.771 0.000 0.789 306 G HN 0.969 nan 8.290 nan 0.000 0.535 307 G N -0.352 108.126 108.800 -0.536 0.000 2.295 307 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.287 307 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.287 307 G C 0.056 174.907 174.900 -0.081 0.000 1.055 307 G CA 0.581 45.541 45.100 -0.232 0.000 0.922 307 G HN 1.123 nan 8.290 nan 0.000 0.503 308 F N -2.839 117.127 119.950 0.026 0.000 2.706 308 F HA 0.910 5.436 4.527 -0.000 0.000 0.328 308 F C -0.609 175.299 175.800 0.180 0.000 1.123 308 F CA -3.514 54.536 58.000 0.082 0.000 0.978 308 F CB 1.187 40.221 39.000 0.057 0.000 1.404 308 F HN 0.138 nan 8.300 nan 0.000 0.497 309 Y N 0.513 121.061 120.300 0.414 0.000 2.436 309 Y HA 0.559 5.109 4.550 -0.000 0.000 0.327 309 Y C -2.939 173.106 175.900 0.241 0.000 1.138 309 Y CA -2.186 56.089 58.100 0.291 0.000 1.042 309 Y CB 2.247 40.791 38.460 0.140 0.000 1.302 309 Y HN 0.435 nan 8.280 nan 0.000 0.439 310 P HA 0.208 nan 4.420 nan 0.000 0.271 310 P C -0.666 176.745 177.300 0.184 0.000 1.233 310 P CA 0.276 63.440 63.100 0.106 0.000 0.789 310 P CB 0.841 32.528 31.700 -0.021 0.000 0.951 311 N N -0.477 118.292 118.700 0.114 0.000 2.250 311 N HA 0.386 5.125 4.740 -0.000 0.000 0.190 311 N C -0.220 175.349 175.510 0.099 0.000 1.116 311 N CA -0.047 53.070 53.050 0.113 0.000 0.881 311 N CB 0.485 39.014 38.487 0.069 0.000 1.006 311 N HN 0.427 nan 8.380 nan 0.000 0.491 312 A N -0.071 122.794 122.820 0.075 0.000 2.597 312 A HA 0.776 5.095 4.320 -0.000 0.000 0.292 312 A C -1.796 175.797 177.584 0.015 0.000 1.057 312 A CA -0.687 51.385 52.037 0.059 0.000 0.674 312 A CB 0.631 19.670 19.000 0.066 0.000 1.278 312 A HN 0.049 nan 8.150 nan 0.000 0.416 313 A N 0.503 123.331 122.820 0.014 0.000 2.342 313 A HA 0.718 5.037 4.320 -0.000 0.000 0.323 313 A C -0.784 176.793 177.584 -0.012 0.000 1.125 313 A CA -0.497 51.529 52.037 -0.019 0.000 0.785 313 A CB 1.135 20.136 19.000 0.001 0.000 1.221 313 A HN 1.527 nan 8.150 nan 0.000 0.463 314 V N 3.090 122.982 119.914 -0.037 0.000 2.370 314 V HA 0.351 4.471 4.120 -0.000 0.000 0.283 314 V C -0.546 175.525 176.094 -0.039 0.000 1.023 314 V CA -0.359 61.923 62.300 -0.030 0.000 0.857 314 V CB 1.201 33.003 31.823 -0.035 0.000 0.985 314 V HN 0.757 nan 8.190 nan 0.000 0.443 315 L N 7.152 128.358 121.223 -0.027 0.000 2.277 315 L HA 0.529 4.868 4.340 -0.000 0.000 0.284 315 L C -0.190 176.658 176.870 -0.038 0.000 1.028 315 L CA 0.176 54.993 54.840 -0.039 0.000 0.835 315 L CB 1.340 43.383 42.059 -0.026 0.000 1.215 315 L HN 0.448 nan 8.230 nan 0.000 0.425 316 V N 4.982 124.868 119.914 -0.046 0.000 2.555 316 V HA 0.718 4.838 4.120 -0.000 0.000 0.286 316 V C 0.586 176.660 176.094 -0.033 0.000 1.044 316 V CA 0.262 62.542 62.300 -0.032 0.000 1.026 316 V CB 0.662 32.466 31.823 -0.031 0.000 0.981 316 V HN 0.944 nan 8.190 nan 0.000 0.480 317 A N 3.830 126.643 122.820 -0.013 0.000 2.556 317 A HA 0.940 5.260 4.320 -0.000 0.000 0.294 317 A C -0.270 177.325 177.584 0.018 0.000 1.091 317 A CA -0.259 51.777 52.037 -0.002 0.000 0.704 317 A CB 2.318 21.313 19.000 -0.008 0.000 1.300 317 A HN 0.922 nan 8.150 nan 0.000 0.406 318 T N -1.664 112.905 114.554 0.024 0.000 2.900 318 T HA 0.505 4.855 4.350 -0.000 0.000 0.295 318 T C 0.740 175.471 174.700 0.051 0.000 1.044 318 T CA -0.128 61.990 62.100 0.029 0.000 0.995 318 T CB 1.061 69.919 68.868 -0.017 0.000 1.072 318 T HN 0.767 nan 8.240 nan 0.000 0.473 319 V N 2.097 122.050 119.914 0.065 0.000 2.324 319 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 319 V C 2.928 179.050 176.094 0.048 0.000 1.060 319 V CA 2.036 64.384 62.300 0.081 0.000 1.042 319 V CB -0.823 31.053 31.823 0.087 0.000 0.650 319 V HN 0.866 nan 8.190 nan 0.000 0.450 320 R N -0.213 120.278 120.500 -0.016 0.000 2.092 320 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 320 R C 2.417 178.712 176.300 -0.008 0.000 1.119 320 R CA 1.384 57.451 56.100 -0.056 0.000 0.970 320 R CB -0.562 29.620 30.300 -0.197 0.000 0.864 320 R HN 0.543 nan 8.270 nan 0.000 0.440 321 A N 1.091 123.908 122.820 -0.005 0.000 1.933 321 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 321 A C 2.126 179.825 177.584 0.191 0.000 1.175 321 A CA 1.067 53.129 52.037 0.041 0.000 0.628 321 A CB -0.418 18.614 19.000 0.054 0.000 0.814 321 A HN 0.162 nan 8.150 nan 0.000 0.444 322 L N -1.132 120.194 121.223 0.172 0.000 2.072 322 L HA -0.155 4.184 4.340 -0.000 0.000 0.205 322 L C 2.576 179.558 176.870 0.185 0.000 1.079 322 L CA 1.638 56.605 54.840 0.212 0.000 0.752 322 L CB -0.469 41.704 42.059 0.190 0.000 0.906 322 L HN 0.327 nan 8.230 nan 0.000 0.436 323 K N -0.690 119.782 120.400 0.121 0.000 2.097 323 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 323 K C 2.084 178.715 176.600 0.052 0.000 1.049 323 K CA 1.590 57.917 56.287 0.067 0.000 0.933 323 K CB -0.307 32.209 32.500 0.027 0.000 0.717 323 K HN 0.151 nan 8.250 nan 0.000 0.442 324 Y N 0.699 120.956 120.300 -0.071 0.000 2.224 324 Y HA -0.266 4.284 4.550 -0.000 0.000 0.289 324 Y C 2.037 177.838 175.900 -0.164 0.000 1.146 324 Y CA 1.646 59.654 58.100 -0.153 0.000 1.182 324 Y CB 0.011 38.326 38.460 -0.241 0.000 0.983 324 Y HN 0.202 nan 8.280 nan 0.000 0.524 325 H N -1.338 117.808 119.070 0.127 0.000 2.529 325 H HA 0.115 4.671 4.556 -0.000 0.000 0.277 325 H C 2.008 177.329 175.328 -0.012 0.000 0.999 325 H CA 0.992 57.078 56.048 0.063 0.000 1.256 325 H CB -0.184 29.644 29.762 0.110 0.000 1.402 325 H HN 0.482 nan 8.280 nan 0.000 0.566 326 G N -1.060 107.786 108.800 0.076 0.000 3.088 326 G HA2 0.265 4.225 3.960 -0.000 0.000 0.217 326 G HA3 0.265 4.225 3.960 -0.000 0.000 0.217 326 G C 1.144 176.018 174.900 -0.044 0.000 1.159 326 G CA 0.449 45.569 45.100 0.033 0.000 0.760 326 G HN 0.524 nan 8.290 nan 0.000 0.550 327 G N -1.202 107.524 108.800 -0.124 0.000 2.184 327 G HA2 0.158 4.117 3.960 -0.000 0.000 0.206 327 G HA3 0.158 4.117 3.960 -0.000 0.000 0.206 327 G C 0.583 175.362 174.900 -0.203 0.000 0.995 327 G CA 0.077 45.065 45.100 -0.187 0.000 0.651 327 G HN 1.265 nan 8.290 nan 0.000 0.511 328 A N 0.226 122.947 122.820 -0.165 0.000 2.531 328 A HA 0.477 4.797 4.320 -0.000 0.000 0.236 328 A C 0.725 178.220 177.584 -0.150 0.000 1.062 328 A CA 0.447 52.409 52.037 -0.125 0.000 0.760 328 A CB 0.195 19.154 19.000 -0.069 0.000 0.995 328 A HN 0.525 nan 8.150 nan 0.000 0.501 329 N N 1.038 119.680 118.700 -0.097 0.000 2.513 329 N HA 0.028 4.768 4.740 -0.000 0.000 0.268 329 N C 0.872 176.384 175.510 0.003 0.000 1.180 329 N CA -0.355 52.659 53.050 -0.060 0.000 0.948 329 N CB 0.825 39.283 38.487 -0.048 0.000 1.083 329 N HN 0.559 nan 8.380 nan 0.000 0.455 330 L N 4.029 125.288 121.223 0.059 0.000 2.131 330 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 330 L C 2.161 179.067 176.870 0.061 0.000 1.092 330 L CA 1.599 56.497 54.840 0.097 0.000 0.759 330 L CB -0.317 41.807 42.059 0.108 0.000 0.903 330 L HN 0.452 nan 8.230 nan 0.000 0.435 331 K N -0.843 119.587 120.400 0.050 0.000 2.366 331 K HA 0.132 4.452 4.320 -0.000 0.000 0.198 331 K C 1.228 177.906 176.600 0.130 0.000 1.044 331 K CA 0.867 57.200 56.287 0.076 0.000 0.973 331 K CB -0.576 31.953 32.500 0.048 0.000 0.767 331 K HN 0.556 nan 8.250 nan 0.000 0.475 332 N N -0.060 118.654 118.700 0.023 0.000 2.200 332 N HA 0.137 4.877 4.740 -0.000 0.000 0.224 332 N C 0.725 176.074 175.510 -0.268 0.000 1.179 332 N CA -0.137 52.818 53.050 -0.159 0.000 0.877 332 N CB 0.546 38.954 38.487 -0.131 0.000 1.072 332 N HN 0.071 nan 8.380 nan 0.000 0.519 333 I N 2.465 122.998 120.570 -0.061 0.000 2.700 333 I HA -0.188 3.982 4.170 -0.000 0.000 0.261 333 I C 2.047 178.127 176.117 -0.061 0.000 1.219 333 I CA 1.243 62.515 61.300 -0.046 0.000 1.463 333 I CB -0.663 37.333 38.000 -0.006 0.000 1.092 333 I HN 0.294 nan 8.210 nan 0.000 0.452 334 H N -0.601 118.454 119.070 -0.025 0.000 2.535 334 H HA 0.191 4.747 4.556 -0.000 0.000 0.273 334 H C 0.251 175.590 175.328 0.019 0.000 0.983 334 H CA -0.174 55.877 56.048 0.005 0.000 1.238 334 H CB -0.386 29.397 29.762 0.035 0.000 1.412 334 H HN 0.294 nan 8.280 nan 0.000 0.562 335 E N 2.129 122.074 120.200 -0.425 0.000 2.289 335 E HA 0.069 4.419 4.350 -0.000 0.000 0.278 335 E C -0.209 176.318 176.600 -0.121 0.000 1.032 335 E CA -0.372 55.867 56.400 -0.269 0.000 0.854 335 E CB 1.530 31.029 29.700 -0.336 0.000 1.046 335 E HN 0.315 nan 8.360 nan 0.000 0.409 336 E N 2.659 122.823 120.200 -0.060 0.000 2.534 336 E HA -0.134 4.216 4.350 -0.000 0.000 0.264 336 E C -0.486 176.079 176.600 -0.059 0.000 0.981 336 E CA 0.501 56.878 56.400 -0.038 0.000 0.948 336 E CB 0.334 30.022 29.700 -0.020 0.000 0.934 336 E HN 0.326 nan 8.360 nan 0.000 0.459 337 N N 4.426 123.091 118.700 -0.058 0.000 3.354 337 N HA 0.030 4.769 4.740 -0.000 0.000 0.196 337 N C -0.395 175.061 175.510 -0.089 0.000 1.486 337 N CA -0.129 52.878 53.050 -0.071 0.000 0.768 337 N CB -0.137 38.308 38.487 -0.071 0.000 1.625 337 N HN 0.463 nan 8.380 nan 0.000 0.636 338 L N 0.609 121.759 121.223 -0.122 0.000 2.376 338 L HA 0.072 4.412 4.340 -0.000 0.000 0.219 338 L C 1.992 178.714 176.870 -0.247 0.000 1.133 338 L CA 0.869 55.577 54.840 -0.220 0.000 0.816 338 L CB 0.073 41.983 42.059 -0.249 0.000 0.933 338 L HN 0.454 nan 8.230 nan 0.000 0.449 339 E N 0.418 120.529 120.200 -0.149 0.000 2.122 339 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 339 E C 2.197 178.754 176.600 -0.072 0.000 0.977 339 E CA 1.087 57.419 56.400 -0.113 0.000 0.820 339 E CB 0.041 29.694 29.700 -0.079 0.000 0.770 339 E HN 0.327 nan 8.360 nan 0.000 0.462 340 A N 0.274 123.058 122.820 -0.059 0.000 2.014 340 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 340 A C 2.033 179.625 177.584 0.013 0.000 1.163 340 A CA 0.997 53.018 52.037 -0.026 0.000 0.652 340 A CB -0.494 18.484 19.000 -0.036 0.000 0.808 340 A HN 0.363 nan 8.150 nan 0.000 0.449 341 L N 0.120 121.335 121.223 -0.013 0.000 2.072 341 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 341 L C 2.220 179.168 176.870 0.130 0.000 1.079 341 L CA 2.470 57.341 54.840 0.051 0.000 0.752 341 L CB -0.541 41.507 42.059 -0.017 0.000 0.906 341 L HN 0.446 nan 8.230 nan 0.000 0.436 342 K N -0.790 119.599 120.400 -0.019 0.000 2.097 342 K HA -0.242 4.078 4.320 -0.000 0.000 0.205 342 K C 2.076 178.786 176.600 0.184 0.000 1.050 342 K CA 1.574 57.912 56.287 0.086 0.000 0.938 342 K CB -0.015 32.441 32.500 -0.074 0.000 0.718 342 K HN 0.321 nan 8.250 nan 0.000 0.442 343 E N -0.066 120.199 120.200 0.108 0.000 2.072 343 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 343 E C 1.801 178.490 176.600 0.149 0.000 0.982 343 E CA 1.657 58.120 56.400 0.105 0.000 0.803 343 E CB -0.512 29.219 29.700 0.052 0.000 0.755 343 E HN 0.413 nan 8.360 nan 0.000 0.453 344 G N -0.546 108.354 108.800 0.166 0.000 2.471 344 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.219 344 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.219 344 G C 1.403 176.421 174.900 0.197 0.000 1.125 344 G CA 0.493 45.710 45.100 0.195 0.000 0.775 344 G HN 0.373 nan 8.290 nan 0.000 0.548 345 F N 1.488 121.514 119.950 0.126 0.000 2.307 345 F HA 0.013 4.539 4.527 -0.000 0.000 0.301 345 F C 2.495 178.336 175.800 0.069 0.000 1.076 345 F CA 1.253 59.323 58.000 0.117 0.000 1.383 345 F CB 0.110 39.206 39.000 0.160 0.000 1.055 345 F HN 0.065 nan 8.300 nan 0.000 0.526 346 K N -0.057 120.462 120.400 0.199 0.000 2.209 346 K HA -0.225 4.095 4.320 -0.000 0.000 0.204 346 K C 2.033 178.606 176.600 -0.045 0.000 1.048 346 K CA 1.208 57.555 56.287 0.100 0.000 0.940 346 K CB -0.437 32.118 32.500 0.093 0.000 0.729 346 K HN 0.377 nan 8.250 nan 0.000 0.451 347 N N 1.452 120.095 118.700 -0.094 0.000 2.171 347 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 347 N C 1.897 177.317 175.510 -0.150 0.000 1.021 347 N CA 0.717 53.656 53.050 -0.185 0.000 0.854 347 N CB 0.059 38.335 38.487 -0.352 0.000 0.994 347 N HN 0.164 nan 8.380 nan 0.000 0.426 348 L N 1.536 122.625 121.223 -0.223 0.000 2.046 348 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 348 L C 2.837 179.544 176.870 -0.271 0.000 1.077 348 L CA 1.136 55.802 54.840 -0.290 0.000 0.747 348 L CB -0.334 41.342 42.059 -0.637 0.000 0.896 348 L HN 0.165 nan 8.230 nan 0.000 0.432 349 R N -0.672 119.646 120.500 -0.302 0.000 2.081 349 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 349 R C 2.044 178.303 176.300 -0.068 0.000 1.131 349 R CA 1.993 58.027 56.100 -0.109 0.000 0.960 349 R CB -0.400 29.930 30.300 0.049 0.000 0.856 349 R HN 0.324 nan 8.270 nan 0.000 0.436 350 V N 0.996 120.841 119.914 -0.115 0.000 2.343 350 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 350 V C 2.328 178.331 176.094 -0.152 0.000 1.051 350 V CA 1.911 64.121 62.300 -0.150 0.000 1.036 350 V CB -0.703 30.986 31.823 -0.224 0.000 0.654 350 V HN 0.468 nan 8.190 nan 0.000 0.451 351 H N -0.653 118.397 119.070 -0.034 0.000 2.353 351 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 351 H C 2.402 177.730 175.328 0.001 0.000 1.090 351 H CA 1.789 57.833 56.048 -0.007 0.000 1.327 351 H CB -0.374 29.372 29.762 -0.026 0.000 1.383 351 H HN 0.301 nan 8.280 nan 0.000 0.508 352 V N 1.244 121.205 119.914 0.078 0.000 2.295 352 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 352 V C 2.245 178.363 176.094 0.040 0.000 1.049 352 V CA 1.822 64.151 62.300 0.049 0.000 1.024 352 V CB -0.387 31.446 31.823 0.018 0.000 0.648 352 V HN 0.417 nan 8.190 nan 0.000 0.447 353 E N 0.076 120.284 120.200 0.013 0.000 2.110 353 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 353 E C 2.101 178.684 176.600 -0.028 0.000 0.988 353 E CA 1.319 57.715 56.400 -0.008 0.000 0.804 353 E CB -0.184 29.503 29.700 -0.021 0.000 0.745 353 E HN 0.564 nan 8.360 nan 0.000 0.458 354 N N 0.632 119.326 118.700 -0.010 0.000 2.142 354 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 354 N C 1.862 177.370 175.510 -0.003 0.000 1.023 354 N CA 0.741 53.772 53.050 -0.033 0.000 0.852 354 N CB -0.207 38.312 38.487 0.054 0.000 0.998 354 N HN 0.126 nan 8.380 nan 0.000 0.424 355 L N 0.771 122.078 121.223 0.140 0.000 2.083 355 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 355 L C 2.168 179.146 176.870 0.180 0.000 1.083 355 L CA 1.006 56.002 54.840 0.261 0.000 0.752 355 L CB -0.177 41.992 42.059 0.183 0.000 0.899 355 L HN 0.145 nan 8.230 nan 0.000 0.433 356 R N 0.065 120.602 120.500 0.062 0.000 2.235 356 R HA -0.096 4.244 4.340 -0.000 0.000 0.213 356 R C 2.024 178.301 176.300 -0.039 0.000 1.059 356 R CA 0.566 56.686 56.100 0.033 0.000 0.997 356 R CB -0.160 30.151 30.300 0.019 0.000 0.884 356 R HN 0.410 nan 8.270 nan 0.000 0.462 357 K N 0.033 120.329 120.400 -0.173 0.000 2.209 357 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 357 K C 0.969 177.365 176.600 -0.339 0.000 1.048 357 K CA 1.129 57.221 56.287 -0.326 0.000 0.940 357 K CB -0.008 32.192 32.500 -0.500 0.000 0.729 357 K HN 0.110 nan 8.250 nan 0.000 0.451 358 F N 0.506 120.484 119.950 0.046 0.000 2.732 358 F HA 0.133 4.660 4.527 -0.000 0.000 0.303 358 F C 0.559 176.435 175.800 0.128 0.000 1.110 358 F CA -0.338 57.713 58.000 0.086 0.000 1.355 358 F CB -0.317 38.733 39.000 0.083 0.000 1.081 358 F HN 0.032 nan 8.300 nan 0.000 0.565 359 N N 0.742 119.546 118.700 0.174 0.000 2.818 359 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 359 N C -0.718 174.892 175.510 0.167 0.000 1.108 359 N CA 0.326 53.449 53.050 0.121 0.000 0.745 359 N CB -1.467 37.058 38.487 0.064 0.000 1.104 359 N HN 0.256 nan 8.380 nan 0.000 0.557 360 L N 0.815 122.157 121.223 0.198 0.000 2.292 360 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 360 L C -1.721 175.216 176.870 0.111 0.000 1.065 360 L CA -1.707 53.236 54.840 0.172 0.000 0.806 360 L CB 0.965 43.125 42.059 0.168 0.000 1.175 360 L HN -0.057 nan 8.230 nan 0.000 0.431 361 P HA 0.091 nan 4.420 nan 0.000 0.271 361 P C -0.799 176.538 177.300 0.061 0.000 1.220 361 P CA -0.121 63.020 63.100 0.068 0.000 0.768 361 P CB 0.890 32.628 31.700 0.063 0.000 0.848 362 V N 4.541 124.487 119.914 0.052 0.000 2.435 362 V HA 0.345 4.464 4.120 -0.000 0.000 0.290 362 V C 0.230 176.343 176.094 0.032 0.000 1.030 362 V CA -0.656 61.670 62.300 0.042 0.000 0.881 362 V CB 2.082 33.932 31.823 0.046 0.000 0.983 362 V HN 0.226 nan 8.190 nan 0.000 0.445 363 V N 4.971 124.899 119.914 0.022 0.000 2.448 363 V HA 0.392 4.511 4.120 -0.000 0.000 0.295 363 V C -0.079 176.021 176.094 0.010 0.000 1.025 363 V CA -0.737 61.573 62.300 0.017 0.000 0.859 363 V CB 1.912 33.741 31.823 0.011 0.000 0.988 363 V HN 0.616 nan 8.190 nan 0.000 0.431 364 V N 4.150 124.073 119.914 0.015 0.000 2.488 364 V HA 0.492 4.612 4.120 -0.000 0.000 0.277 364 V C 0.774 176.876 176.094 0.012 0.000 1.046 364 V CA -0.121 62.185 62.300 0.011 0.000 0.986 364 V CB 1.295 33.130 31.823 0.020 0.000 0.989 364 V HN 0.997 nan 8.190 nan 0.000 0.475 365 A N 6.254 129.077 122.820 0.005 0.000 2.366 365 A HA 0.614 4.934 4.320 -0.000 0.000 0.322 365 A C -0.559 177.036 177.584 0.018 0.000 1.397 365 A CA -0.408 51.635 52.037 0.009 0.000 0.984 365 A CB 0.156 19.156 19.000 -0.000 0.000 1.149 365 A HN 0.766 nan 8.150 nan 0.000 0.540 366 L N 3.311 124.553 121.223 0.031 0.000 2.334 366 L HA 0.269 4.609 4.340 -0.000 0.000 0.286 366 L C 0.116 177.014 176.870 0.048 0.000 1.108 366 L CA -0.190 54.677 54.840 0.045 0.000 0.875 366 L CB 0.138 42.233 42.059 0.060 0.000 1.246 366 L HN 0.656 nan 8.230 nan 0.000 0.439 367 N N 4.531 123.259 118.700 0.046 0.000 2.402 367 N HA 0.064 4.804 4.740 -0.000 0.000 0.259 367 N C -0.150 175.408 175.510 0.079 0.000 1.167 367 N CA -0.036 53.047 53.050 0.055 0.000 0.949 367 N CB 0.220 38.733 38.487 0.044 0.000 1.212 367 N HN 0.600 nan 8.380 nan 0.000 0.493 368 R N 3.291 123.838 120.500 0.078 0.000 2.537 368 R HA 0.145 4.484 4.340 -0.000 0.000 0.280 368 R C -0.810 175.564 176.300 0.124 0.000 1.058 368 R CA -0.013 56.144 56.100 0.095 0.000 1.057 368 R CB 0.262 30.600 30.300 0.064 0.000 0.973 368 R HN 0.397 nan 8.270 nan 0.000 0.438 369 F N 2.138 122.073 119.950 -0.025 0.000 2.507 369 F HA 0.192 4.718 4.527 -0.000 0.000 0.327 369 F C 1.287 177.075 175.800 -0.020 0.000 1.068 369 F CA -0.036 57.935 58.000 -0.048 0.000 0.965 369 F CB 1.875 40.846 39.000 -0.049 0.000 1.192 369 F HN 0.764 nan 8.300 nan 0.000 0.476 370 S N -0.217 115.263 115.700 -0.366 0.000 2.400 370 S HA -0.216 4.254 4.470 -0.000 0.000 0.232 370 S C 1.593 176.205 174.600 0.020 0.000 1.025 370 S CA 1.727 59.817 58.200 -0.183 0.000 0.993 370 S CB -1.183 61.839 63.200 -0.297 0.000 0.808 370 S HN 0.813 nan 8.310 nan 0.000 0.478 371 T N -0.932 113.743 114.554 0.201 0.000 3.088 371 T HA 0.107 4.457 4.350 -0.000 0.000 0.259 371 T C -0.041 174.765 174.700 0.177 0.000 1.122 371 T CA 0.097 62.337 62.100 0.233 0.000 1.095 371 T CB -0.526 68.558 68.868 0.360 0.000 0.930 371 T HN 0.205 nan 8.240 nan 0.000 0.508 372 D N 3.847 124.355 120.400 0.180 0.000 2.417 372 D HA 0.207 4.847 4.640 -0.000 0.000 0.250 372 D C 0.785 177.137 176.300 0.086 0.000 1.166 372 D CA 0.319 54.395 54.000 0.127 0.000 0.881 372 D CB 1.098 41.976 40.800 0.130 0.000 1.164 372 D HN 0.483 nan 8.370 nan 0.000 0.467 373 T N -0.317 114.280 114.554 0.071 0.000 2.882 373 T HA 0.130 4.480 4.350 -0.000 0.000 0.287 373 T C 1.108 175.841 174.700 0.056 0.000 1.014 373 T CA -0.670 61.462 62.100 0.054 0.000 1.049 373 T CB 1.415 70.307 68.868 0.040 0.000 1.001 373 T HN 0.136 nan 8.240 nan 0.000 0.525 374 E N 0.394 120.622 120.200 0.046 0.000 2.274 374 E HA -0.071 4.278 4.350 -0.000 0.000 0.194 374 E C 1.827 178.460 176.600 0.055 0.000 0.996 374 E CA 0.775 57.203 56.400 0.047 0.000 0.840 374 E CB -0.044 29.678 29.700 0.036 0.000 0.772 374 E HN 0.769 nan 8.360 nan 0.000 0.491 375 K N 0.878 121.309 120.400 0.051 0.000 2.167 375 K HA -0.087 4.232 4.320 -0.000 0.000 0.203 375 K C 1.757 178.409 176.600 0.086 0.000 1.052 375 K CA 0.823 57.143 56.287 0.056 0.000 0.956 375 K CB 0.238 32.757 32.500 0.031 0.000 0.735 375 K HN 0.028 nan 8.250 nan 0.000 0.451 376 E N 0.410 120.658 120.200 0.080 0.000 2.072 376 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 376 E C 1.886 178.574 176.600 0.145 0.000 0.982 376 E CA 0.693 57.159 56.400 0.110 0.000 0.803 376 E CB 0.107 29.856 29.700 0.082 0.000 0.755 376 E HN 0.209 nan 8.360 nan 0.000 0.453 377 I N 1.244 121.879 120.570 0.109 0.000 2.286 377 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 377 I C 2.409 178.585 176.117 0.098 0.000 1.115 377 I CA 1.094 62.454 61.300 0.100 0.000 1.392 377 I CB -1.334 36.711 38.000 0.075 0.000 1.065 377 I HN 0.027 nan 8.210 nan 0.000 0.418 378 A N -0.130 122.748 122.820 0.095 0.000 1.897 378 A HA -0.253 4.066 4.320 -0.000 0.000 0.215 378 A C 2.365 179.996 177.584 0.079 0.000 1.181 378 A CA 1.141 53.222 52.037 0.073 0.000 0.620 378 A CB -1.063 17.977 19.000 0.067 0.000 0.821 378 A HN 0.446 nan 8.150 nan 0.000 0.443 379 Y N 0.493 120.797 120.300 0.006 0.000 2.224 379 Y HA -0.157 4.393 4.550 -0.000 0.000 0.289 379 Y C 2.235 178.120 175.900 -0.024 0.000 1.146 379 Y CA 1.879 59.967 58.100 -0.021 0.000 1.182 379 Y CB -0.200 38.249 38.460 -0.018 0.000 0.983 379 Y HN 0.062 nan 8.280 nan 0.000 0.524 380 V N -1.094 118.869 119.914 0.082 0.000 2.427 380 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 380 V C 2.275 178.385 176.094 0.026 0.000 1.051 380 V CA 1.625 63.988 62.300 0.106 0.000 1.048 380 V CB -0.534 31.431 31.823 0.237 0.000 0.666 380 V HN 0.330 nan 8.190 nan 0.000 0.456 381 V N -0.010 119.908 119.914 0.007 0.000 2.515 381 V HA -0.206 3.913 4.120 -0.000 0.000 0.250 381 V C 2.418 178.475 176.094 -0.062 0.000 1.058 381 V CA 2.107 64.410 62.300 0.004 0.000 1.064 381 V CB -0.492 31.340 31.823 0.015 0.000 0.675 381 V HN 0.522 nan 8.190 nan 0.000 0.461 382 K N 0.314 120.625 120.400 -0.149 0.000 2.031 382 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 382 K C 2.072 178.502 176.600 -0.283 0.000 1.049 382 K CA 1.251 57.425 56.287 -0.188 0.000 0.939 382 K CB -0.272 32.106 32.500 -0.204 0.000 0.717 382 K HN 0.260 nan 8.250 nan 0.000 0.438 383 E N 0.233 120.113 120.200 -0.534 0.000 2.160 383 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 383 E C 2.171 178.598 176.600 -0.289 0.000 0.991 383 E CA 1.142 57.087 56.400 -0.759 0.000 0.810 383 E CB -0.684 27.979 29.700 -1.728 0.000 0.742 383 E HN 0.354 nan 8.360 nan 0.000 0.466 384 C N 0.680 119.975 119.300 -0.008 0.000 2.446 384 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 384 C C 2.517 177.543 174.990 0.060 0.000 1.275 384 C CA 0.484 59.604 59.018 0.170 0.000 1.727 384 C CB -0.715 27.114 27.740 0.148 0.000 2.010 384 C HN 0.499 nan 8.230 nan 0.000 0.486 385 E N 0.601 120.798 120.200 -0.006 0.000 2.110 385 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 385 E C 2.154 178.745 176.600 -0.016 0.000 0.988 385 E CA 0.956 57.349 56.400 -0.012 0.000 0.804 385 E CB -0.070 29.612 29.700 -0.029 0.000 0.745 385 E HN 0.607 nan 8.360 nan 0.000 0.458 386 K N 0.378 120.751 120.400 -0.045 0.000 2.217 386 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 386 K C 2.037 178.633 176.600 -0.006 0.000 1.051 386 K CA 0.485 56.745 56.287 -0.045 0.000 0.952 386 K CB 0.078 32.519 32.500 -0.098 0.000 0.736 386 K HN 0.187 nan 8.250 nan 0.000 0.453 387 L N 0.132 121.372 121.223 0.029 0.000 2.492 387 L HA -0.000 4.340 4.340 -0.000 0.000 0.223 387 L C 0.709 177.612 176.870 0.054 0.000 1.132 387 L CA 0.617 55.504 54.840 0.077 0.000 0.850 387 L CB -0.117 42.047 42.059 0.175 0.000 0.966 387 L HN 0.482 nan 8.230 nan 0.000 0.454 388 G N 0.364 109.186 108.800 0.038 0.000 2.147 388 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 388 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 388 G C -0.031 174.891 174.900 0.036 0.000 1.005 388 G CA 0.393 45.511 45.100 0.030 0.000 0.713 388 G HN 0.227 nan 8.290 nan 0.000 0.515 389 V N 1.094 121.037 119.914 0.049 0.000 2.435 389 V HA 0.611 4.731 4.120 -0.000 0.000 0.290 389 V C 1.039 177.159 176.094 0.043 0.000 1.030 389 V CA -1.186 61.143 62.300 0.048 0.000 0.881 389 V CB 1.030 32.889 31.823 0.059 0.000 0.983 389 V HN 0.393 nan 8.190 nan 0.000 0.445 390 R N 3.703 124.223 120.500 0.034 0.000 2.640 390 R HA 0.342 4.681 4.340 -0.000 0.000 0.270 390 R C -0.665 175.654 176.300 0.031 0.000 1.024 390 R CA 0.081 56.199 56.100 0.028 0.000 1.085 390 R CB 1.151 31.465 30.300 0.024 0.000 0.963 390 R HN 0.514 nan 8.270 nan 0.000 0.426 391 V N 1.190 121.121 119.914 0.029 0.000 2.733 391 V HA 0.706 4.826 4.120 -0.000 0.000 0.306 391 V C -1.389 174.720 176.094 0.025 0.000 1.084 391 V CA -0.461 61.859 62.300 0.032 0.000 0.905 391 V CB 1.940 33.793 31.823 0.049 0.000 1.010 391 V HN 0.910 nan 8.190 nan 0.000 0.424 392 A N 5.577 128.410 122.820 0.022 0.000 2.393 392 A HA 0.848 5.168 4.320 -0.000 0.000 0.306 392 A C -0.946 176.652 177.584 0.024 0.000 1.050 392 A CA -0.581 51.467 52.037 0.018 0.000 0.724 392 A CB 1.967 20.971 19.000 0.008 0.000 1.248 392 A HN 1.127 nan 8.150 nan 0.000 0.424 393 V N 1.704 121.634 119.914 0.027 0.000 2.530 393 V HA 0.491 4.611 4.120 -0.000 0.000 0.282 393 V C 0.745 176.856 176.094 0.028 0.000 1.048 393 V CA 0.004 62.325 62.300 0.034 0.000 0.997 393 V CB 1.421 33.267 31.823 0.037 0.000 0.987 393 V HN 0.887 nan 8.190 nan 0.000 0.477 394 S N 3.300 119.020 115.700 0.034 0.000 2.473 394 S HA 0.478 4.948 4.470 -0.000 0.000 0.307 394 S C 0.010 174.638 174.600 0.047 0.000 1.094 394 S CA -0.616 57.604 58.200 0.033 0.000 1.070 394 S CB 1.097 64.315 63.200 0.031 0.000 1.019 394 S HN 0.844 nan 8.310 nan 0.000 0.480 395 E N 3.224 123.452 120.200 0.046 0.000 2.995 395 E HA 0.092 4.442 4.350 -0.000 0.000 0.203 395 E C 1.388 178.033 176.600 0.075 0.000 0.980 395 E CA -0.027 56.411 56.400 0.063 0.000 1.172 395 E CB 0.563 30.290 29.700 0.045 0.000 1.088 395 E HN 0.649 nan 8.360 nan 0.000 0.463 396 V N -1.058 118.899 119.914 0.072 0.000 2.392 396 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 396 V C 2.039 178.179 176.094 0.076 0.000 1.059 396 V CA 1.442 63.775 62.300 0.055 0.000 1.051 396 V CB -0.804 31.042 31.823 0.039 0.000 0.658 396 V HN 0.314 nan 8.190 nan 0.000 0.455 397 F N 1.929 121.869 119.950 -0.017 0.000 2.126 397 F HA -0.122 4.404 4.527 -0.000 0.000 0.299 397 F C 2.476 178.256 175.800 -0.032 0.000 1.096 397 F CA 2.572 60.559 58.000 -0.022 0.000 1.255 397 F CB -0.158 38.832 39.000 -0.017 0.000 0.997 397 F HN 0.202 nan 8.300 nan 0.000 0.479 398 K N -0.087 120.435 120.400 0.204 0.000 2.166 398 K HA 0.003 4.323 4.320 -0.000 0.000 0.201 398 K C 1.353 177.952 176.600 -0.003 0.000 1.052 398 K CA 0.988 57.344 56.287 0.115 0.000 0.969 398 K CB 0.079 32.658 32.500 0.133 0.000 0.761 398 K HN 0.199 nan 8.250 nan 0.000 0.459 399 K N -0.080 120.323 120.400 0.005 0.000 2.438 399 K HA 0.190 4.510 4.320 -0.000 0.000 0.206 399 K C 0.415 177.000 176.600 -0.025 0.000 1.081 399 K CA 0.251 56.531 56.287 -0.012 0.000 1.053 399 K CB 1.463 33.965 32.500 0.004 0.000 0.908 399 K HN 0.361 nan 8.250 nan 0.000 0.556 400 G N 1.729 110.507 108.800 -0.036 0.000 2.564 400 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.273 400 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.273 400 G C 0.792 175.680 174.900 -0.020 0.000 1.242 400 G CA 0.301 45.378 45.100 -0.038 0.000 0.951 400 G HN 0.118 nan 8.290 nan 0.000 0.564 401 S N -0.382 115.304 115.700 -0.023 0.000 2.381 401 S HA -0.249 4.221 4.470 -0.000 0.000 0.230 401 S C 2.153 176.743 174.600 -0.016 0.000 1.052 401 S CA 2.512 60.700 58.200 -0.020 0.000 1.068 401 S CB -0.459 62.729 63.200 -0.021 0.000 0.918 401 S HN 0.721 nan 8.310 nan 0.000 0.448 402 E N -0.419 119.772 120.200 -0.015 0.000 2.097 402 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 402 E C 1.686 178.282 176.600 -0.006 0.000 1.000 402 E CA 1.249 57.643 56.400 -0.011 0.000 0.804 402 E CB -0.517 29.177 29.700 -0.010 0.000 0.740 402 E HN 0.586 nan 8.360 nan 0.000 0.454 403 G N -1.098 107.701 108.800 -0.001 0.000 3.181 403 G HA2 0.093 4.053 3.960 -0.000 0.000 0.219 403 G HA3 0.093 4.053 3.960 -0.000 0.000 0.219 403 G C 0.763 175.668 174.900 0.008 0.000 1.182 403 G CA 0.298 45.403 45.100 0.008 0.000 0.791 403 G HN 0.314 nan 8.290 nan 0.000 0.537 404 G N -0.686 108.112 108.800 -0.002 0.000 3.528 404 G HA2 0.213 4.173 3.960 -0.000 0.000 0.266 404 G HA3 0.213 4.173 3.960 -0.000 0.000 0.266 404 G C 1.133 176.021 174.900 -0.020 0.000 1.004 404 G CA 0.339 45.435 45.100 -0.008 0.000 0.853 404 G HN 0.150 nan 8.290 nan 0.000 0.501 405 V N 0.614 120.517 119.914 -0.018 0.000 2.427 405 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 405 V C 2.648 178.726 176.094 -0.026 0.000 1.051 405 V CA 1.698 63.982 62.300 -0.026 0.000 1.048 405 V CB 0.011 31.822 31.823 -0.019 0.000 0.666 405 V HN 0.213 nan 8.190 nan 0.000 0.456 406 E N -0.060 120.130 120.200 -0.015 0.000 2.072 406 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 406 E C 2.071 178.660 176.600 -0.017 0.000 0.985 406 E CA 0.961 57.354 56.400 -0.012 0.000 0.801 406 E CB -0.461 29.237 29.700 -0.002 0.000 0.750 406 E HN 0.464 nan 8.360 nan 0.000 0.452 407 L N 0.875 122.087 121.223 -0.018 0.000 2.046 407 L HA -0.074 4.265 4.340 -0.000 0.000 0.208 407 L C 2.155 178.998 176.870 -0.046 0.000 1.077 407 L CA 2.048 56.874 54.840 -0.023 0.000 0.747 407 L CB -0.772 41.277 42.059 -0.017 0.000 0.896 407 L HN 0.050 nan 8.230 nan 0.000 0.432 408 A N -0.498 122.285 122.820 -0.062 0.000 1.908 408 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 408 A C 2.311 179.824 177.584 -0.119 0.000 1.181 408 A CA 2.055 54.026 52.037 -0.110 0.000 0.627 408 A CB -0.518 18.415 19.000 -0.111 0.000 0.818 408 A HN 0.531 nan 8.150 nan 0.000 0.445 409 K N -0.418 119.937 120.400 -0.074 0.000 2.057 409 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 409 K C 2.290 178.866 176.600 -0.039 0.000 1.050 409 K CA 1.058 57.311 56.287 -0.056 0.000 0.935 409 K CB -0.307 32.174 32.500 -0.032 0.000 0.715 409 K HN 0.432 nan 8.250 nan 0.000 0.439 410 A N 1.126 123.928 122.820 -0.030 0.000 1.969 410 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 410 A C 2.350 179.930 177.584 -0.008 0.000 1.169 410 A CA 1.141 53.171 52.037 -0.011 0.000 0.635 410 A CB -0.442 18.555 19.000 -0.004 0.000 0.810 410 A HN 0.059 nan 8.150 nan 0.000 0.445 411 V N -0.397 119.499 119.914 -0.030 0.000 2.379 411 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 411 V C 2.997 179.096 176.094 0.007 0.000 1.044 411 V CA 1.680 63.970 62.300 -0.017 0.000 1.036 411 V CB -0.929 30.862 31.823 -0.053 0.000 0.664 411 V HN 0.585 nan 8.190 nan 0.000 0.453 412 A N -0.173 122.608 122.820 -0.066 0.000 1.969 412 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 412 A C 2.274 179.905 177.584 0.078 0.000 1.169 412 A CA 1.785 53.817 52.037 -0.009 0.000 0.635 412 A CB -0.375 18.553 19.000 -0.120 0.000 0.810 412 A HN 0.505 nan 8.150 nan 0.000 0.445 413 E N -0.807 119.415 120.200 0.036 0.000 2.072 413 E HA 0.040 4.390 4.350 -0.000 0.000 0.190 413 E C 2.369 179.001 176.600 0.052 0.000 0.982 413 E CA 0.973 57.398 56.400 0.041 0.000 0.803 413 E CB -0.580 29.134 29.700 0.023 0.000 0.755 413 E HN 0.805 nan 8.360 nan 0.000 0.453 414 A N 0.673 123.525 122.820 0.053 0.000 2.021 414 A HA 0.466 4.786 4.320 -0.000 0.000 0.216 414 A C 1.723 179.351 177.584 0.072 0.000 1.163 414 A CA 0.639 52.709 52.037 0.054 0.000 0.676 414 A CB -0.330 18.697 19.000 0.046 0.000 0.818 414 A HN 0.408 nan 8.150 nan 0.000 0.453 415 A N 0.729 123.610 122.820 0.102 0.000 2.546 415 A HA 0.471 4.791 4.320 -0.000 0.000 0.243 415 A C 0.449 178.083 177.584 0.083 0.000 1.063 415 A CA 0.657 52.762 52.037 0.114 0.000 0.757 415 A CB -0.221 18.893 19.000 0.191 0.000 0.991 415 A HN 0.982 nan 8.150 nan 0.000 0.503 416 K N 1.861 122.303 120.400 0.071 0.000 2.533 416 K HA 0.494 4.814 4.320 -0.000 0.000 0.272 416 K C -1.439 175.194 176.600 0.055 0.000 0.985 416 K CA -0.910 55.409 56.287 0.054 0.000 0.876 416 K CB 1.273 33.801 32.500 0.046 0.000 1.452 416 K HN 0.637 nan 8.250 nan 0.000 0.439 417 D N 1.380 121.802 120.400 0.036 0.000 2.317 417 D HA 0.340 4.980 4.640 -0.000 0.000 0.252 417 D C 0.197 176.505 176.300 0.015 0.000 1.174 417 D CA -0.025 53.993 54.000 0.031 0.000 0.866 417 D CB 1.473 42.281 40.800 0.014 0.000 1.127 417 D HN 0.620 nan 8.370 nan 0.000 0.467 418 V N 0.236 120.155 119.914 0.007 0.000 2.919 418 V HA 0.476 4.596 4.120 -0.000 0.000 0.316 418 V C -0.090 175.910 176.094 -0.156 0.000 1.077 418 V CA -1.084 61.193 62.300 -0.039 0.000 0.977 418 V CB 2.148 33.983 31.823 0.021 0.000 1.039 418 V HN 0.209 nan 8.190 nan 0.000 0.441 419 E N 3.550 123.656 120.200 -0.157 0.000 2.299 419 E HA 0.402 4.752 4.350 -0.000 0.000 0.272 419 E C -2.540 173.817 176.600 -0.406 0.000 1.043 419 E CA -1.850 54.419 56.400 -0.218 0.000 0.895 419 E CB 0.711 30.332 29.700 -0.131 0.000 1.011 419 E HN 0.663 nan 8.360 nan 0.000 0.432 420 P HA 0.092 nan 4.420 nan 0.000 0.265 420 P C -1.373 175.548 177.300 -0.632 0.000 1.193 420 P CA 0.179 62.601 63.100 -1.130 0.000 0.765 420 P CB 1.006 32.094 31.700 -1.019 0.000 0.823 421 A N 3.650 126.184 122.820 -0.477 0.000 2.943 421 A HA 0.413 4.732 4.320 -0.000 0.000 0.327 421 A C -1.058 176.520 177.584 -0.011 0.000 1.141 421 A CA -0.493 51.442 52.037 -0.170 0.000 0.773 421 A CB -0.315 18.659 19.000 -0.044 0.000 1.143 421 A HN 0.366 nan 8.150 nan 0.000 0.463 422 Y N 0.634 121.048 120.300 0.191 0.000 2.336 422 Y HA 0.295 4.844 4.550 -0.000 0.000 0.331 422 Y C 1.391 177.335 175.900 0.074 0.000 1.211 422 Y CA -0.477 57.714 58.100 0.152 0.000 1.346 422 Y CB 0.710 39.164 38.460 -0.010 0.000 1.271 422 Y HN 0.498 nan 8.280 nan 0.000 0.538 423 L N 1.731 123.081 121.223 0.213 0.000 2.313 423 L HA -0.062 4.278 4.340 -0.000 0.000 0.214 423 L C -0.451 176.528 176.870 0.181 0.000 1.119 423 L CA 0.545 55.466 54.840 0.135 0.000 0.809 423 L CB -0.167 41.994 42.059 0.169 0.000 0.933 423 L HN 0.729 nan 8.230 nan 0.000 0.449 424 Y N -3.705 116.705 120.300 0.183 0.000 2.615 424 Y HA 0.643 5.193 4.550 -0.000 0.000 0.341 424 Y C -0.341 175.625 175.900 0.109 0.000 1.089 424 Y CA -1.654 56.515 58.100 0.116 0.000 1.049 424 Y CB 0.667 39.175 38.460 0.080 0.000 1.296 424 Y HN -0.287 nan 8.280 nan 0.000 0.470 428 D N 2.492 122.928 120.400 0.060 0.000 2.472 428 D HA 0.200 4.840 4.640 -0.000 0.000 0.237 428 D C -2.163 174.126 176.300 -0.018 0.000 1.141 428 D CA -0.447 53.569 54.000 0.028 0.000 0.875 428 D CB 0.758 41.584 40.800 0.043 0.000 1.192 428 D HN 0.181 nan 8.370 nan 0.000 0.450 429 P HA -0.051 nan 4.420 nan 0.000 0.267 429 P C 1.153 178.422 177.300 -0.051 0.000 1.200 429 P CA -0.299 62.784 63.100 -0.028 0.000 0.772 429 P CB 0.687 32.371 31.700 -0.026 0.000 0.855 430 V N 2.769 122.657 119.914 -0.043 0.000 2.317 430 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 430 V C 2.036 178.119 176.094 -0.018 0.000 1.065 430 V CA 2.034 64.307 62.300 -0.046 0.000 1.049 430 V CB -1.070 30.752 31.823 -0.002 0.000 0.651 430 V HN 0.658 nan 8.190 nan 0.000 0.450 431 E N -0.545 119.645 120.200 -0.016 0.000 2.150 431 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 431 E C 2.301 178.939 176.600 0.063 0.000 0.985 431 E CA 1.137 57.556 56.400 0.032 0.000 0.814 431 E CB -0.113 29.520 29.700 -0.110 0.000 0.752 431 E HN 0.562 nan 8.360 nan 0.000 0.466 432 K N 1.411 121.813 120.400 0.003 0.000 2.116 432 K HA -0.111 4.208 4.320 -0.000 0.000 0.203 432 K C 1.841 178.427 176.600 -0.022 0.000 1.052 432 K CA 0.893 57.182 56.287 0.003 0.000 0.952 432 K CB 0.173 32.672 32.500 -0.003 0.000 0.729 432 K HN -0.092 nan 8.250 nan 0.000 0.446 433 K N 0.619 120.963 120.400 -0.093 0.000 2.063 433 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 433 K C 2.122 178.649 176.600 -0.122 0.000 1.048 433 K CA 1.722 57.872 56.287 -0.228 0.000 0.928 433 K CB -0.191 31.985 32.500 -0.540 0.000 0.713 433 K HN 0.219 nan 8.250 nan 0.000 0.442 434 I N 0.796 121.339 120.570 -0.045 0.000 2.252 434 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 434 I C 2.223 178.307 176.117 -0.055 0.000 1.102 434 I CA 1.164 62.457 61.300 -0.012 0.000 1.385 434 I CB -0.169 37.902 38.000 0.119 0.000 1.064 434 I HN 0.178 nan 8.210 nan 0.000 0.414 435 E N 1.004 121.207 120.200 0.004 0.000 2.085 435 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 435 E C 2.216 178.769 176.600 -0.078 0.000 0.994 435 E CA 1.352 57.738 56.400 -0.023 0.000 0.801 435 E CB -0.022 29.696 29.700 0.030 0.000 0.743 435 E HN 0.441 nan 8.360 nan 0.000 0.453 436 I N 0.422 120.960 120.570 -0.054 0.000 2.202 436 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 436 I C 2.181 178.219 176.117 -0.130 0.000 1.091 436 I CA 0.930 62.201 61.300 -0.049 0.000 1.368 436 I CB -0.225 37.802 38.000 0.044 0.000 1.058 436 I HN 0.156 nan 8.210 nan 0.000 0.410 437 L N 0.508 121.631 121.223 -0.167 0.000 2.046 437 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 437 L C 2.872 179.285 176.870 -0.762 0.000 1.077 437 L CA 1.400 56.008 54.840 -0.386 0.000 0.747 437 L CB -0.824 41.060 42.059 -0.290 0.000 0.896 437 L HN 0.247 nan 8.230 nan 0.000 0.432 438 A N 0.002 122.489 122.820 -0.554 0.000 1.933 438 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 438 A C 2.446 179.842 177.584 -0.313 0.000 1.175 438 A CA 1.904 53.649 52.037 -0.485 0.000 0.628 438 A CB -0.381 18.361 19.000 -0.430 0.000 0.814 438 A HN 0.344 nan 8.150 nan 0.000 0.444 439 K N -0.712 119.539 120.400 -0.248 0.000 2.021 439 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 439 K C 1.770 178.271 176.600 -0.166 0.000 1.047 439 K CA 1.329 57.514 56.287 -0.170 0.000 0.943 439 K CB -0.159 32.269 32.500 -0.120 0.000 0.725 439 K HN 0.340 nan 8.250 nan 0.000 0.439 440 E N 0.572 120.656 120.200 -0.193 0.000 2.072 440 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 440 E C 2.076 178.567 176.600 -0.183 0.000 0.982 440 E CA 0.822 57.119 56.400 -0.172 0.000 0.803 440 E CB 0.149 29.749 29.700 -0.167 0.000 0.755 440 E HN 0.349 nan 8.360 nan 0.000 0.453 441 I N -0.532 119.869 120.570 -0.282 0.000 2.899 441 I HA -0.092 4.077 4.170 -0.000 0.000 0.257 441 I C 1.895 177.976 176.117 -0.061 0.000 1.115 441 I CA 0.701 61.872 61.300 -0.216 0.000 1.451 441 I CB -1.112 36.715 38.000 -0.289 0.000 1.251 441 I HN 0.014 nan 8.210 nan 0.000 0.456 442 Y N 1.861 122.173 120.300 0.020 0.000 2.544 442 Y HA 0.170 4.720 4.550 -0.000 0.000 0.286 442 Y C 0.640 176.645 175.900 0.175 0.000 1.141 442 Y CA -0.685 57.492 58.100 0.129 0.000 1.299 442 Y CB -0.415 38.140 38.460 0.157 0.000 1.030 442 Y HN 0.136 nan 8.280 nan 0.000 0.543 443 R N -1.036 119.523 120.500 0.098 0.000 3.641 443 R HA -0.169 4.171 4.340 -0.000 0.000 0.286 443 R C 0.248 176.482 176.300 -0.109 0.000 1.153 443 R CA 0.651 56.766 56.100 0.025 0.000 0.775 443 R CB -2.357 27.994 30.300 0.085 0.000 1.215 443 R HN 0.314 nan 8.270 nan 0.000 0.474 444 A N -0.292 122.349 122.820 -0.299 0.000 2.386 444 A HA 0.570 4.889 4.320 -0.000 0.000 0.248 444 A C 1.581 178.949 177.584 -0.360 0.000 1.082 444 A CA 0.430 52.033 52.037 -0.722 0.000 0.789 444 A CB 0.400 19.109 19.000 -0.486 0.000 1.025 444 A HN 0.333 nan 8.150 nan 0.000 0.490 445 G N 0.051 108.655 108.800 -0.328 0.000 2.744 445 G HA2 0.357 4.317 3.960 -0.000 0.000 0.211 445 G HA3 0.357 4.317 3.960 -0.000 0.000 0.211 445 G C 0.582 175.419 174.900 -0.105 0.000 1.146 445 G CA 0.534 45.542 45.100 -0.153 0.000 0.787 445 G HN 1.042 nan 8.290 nan 0.000 0.534 446 R N -1.925 118.505 120.500 -0.116 0.000 2.741 446 R HA 0.518 4.858 4.340 -0.000 0.000 0.276 446 R C -2.353 173.927 176.300 -0.032 0.000 1.028 446 R CA -0.662 55.407 56.100 -0.052 0.000 0.865 446 R CB 0.851 31.142 30.300 -0.016 0.000 1.268 446 R HN -0.112 nan 8.270 nan 0.000 0.475 447 V N 0.595 120.509 119.914 -0.000 0.000 2.555 447 V HA 0.464 4.584 4.120 -0.000 0.000 0.302 447 V C -0.445 175.645 176.094 -0.008 0.000 1.038 447 V CA -0.613 61.679 62.300 -0.013 0.000 0.887 447 V CB 1.563 33.353 31.823 -0.056 0.000 0.991 447 V HN 0.777 nan 8.190 nan 0.000 0.434 448 E N 3.406 123.555 120.200 -0.086 0.000 2.199 448 E HA 0.531 4.881 4.350 -0.000 0.000 0.265 448 E C -1.868 174.650 176.600 -0.137 0.000 0.882 448 E CA -0.599 55.788 56.400 -0.021 0.000 0.759 448 E CB 1.451 31.148 29.700 -0.005 0.000 1.148 448 E HN 0.498 nan 8.360 nan 0.000 0.412 449 F N 2.737 122.714 119.950 0.044 0.000 2.404 449 F HA 0.195 4.722 4.527 -0.000 0.000 0.354 449 F C 1.032 176.854 175.800 0.037 0.000 1.122 449 F CA -0.539 57.489 58.000 0.047 0.000 1.080 449 F CB 1.584 40.613 39.000 0.049 0.000 1.131 449 F HN 0.398 nan 8.300 nan 0.000 0.471 450 S N 1.359 117.159 115.700 0.167 0.000 2.580 450 S HA -0.032 4.437 4.470 -0.000 0.000 0.261 450 S C 0.961 175.644 174.600 0.137 0.000 1.366 450 S CA -0.505 57.766 58.200 0.119 0.000 0.996 450 S CB 0.624 63.874 63.200 0.082 0.000 0.902 450 S HN 0.622 nan 8.310 nan 0.000 0.566 451 D N 1.139 121.597 120.400 0.097 0.000 2.178 451 D HA -0.050 4.590 4.640 -0.000 0.000 0.201 451 D C 1.987 178.342 176.300 0.091 0.000 0.980 451 D CA 1.701 55.752 54.000 0.086 0.000 0.842 451 D CB -0.854 39.984 40.800 0.064 0.000 0.948 451 D HN 0.723 nan 8.370 nan 0.000 0.472 452 T N 0.576 115.186 114.554 0.093 0.000 2.777 452 T HA -0.093 4.256 4.350 -0.000 0.000 0.266 452 T C 2.031 176.803 174.700 0.120 0.000 1.040 452 T CA 1.418 63.575 62.100 0.094 0.000 1.141 452 T CB -0.234 68.684 68.868 0.085 0.000 0.868 452 T HN 0.188 nan 8.240 nan 0.000 0.444 453 A N 1.623 124.537 122.820 0.156 0.000 1.933 453 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 453 A C 2.245 179.937 177.584 0.180 0.000 1.175 453 A CA 1.574 53.744 52.037 0.223 0.000 0.628 453 A CB -0.400 18.814 19.000 0.357 0.000 0.814 453 A HN 0.455 nan 8.150 nan 0.000 0.444 454 K N -0.748 119.734 120.400 0.137 0.000 2.103 454 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 454 K C 1.966 178.600 176.600 0.057 0.000 1.052 454 K CA 1.313 57.629 56.287 0.049 0.000 0.945 454 K CB -0.183 32.344 32.500 0.044 0.000 0.722 454 K HN 0.513 nan 8.250 nan 0.000 0.443 455 N N 0.825 119.577 118.700 0.086 0.000 2.188 455 N HA -0.116 4.623 4.740 -0.000 0.000 0.184 455 N C 1.524 177.118 175.510 0.139 0.000 1.018 455 N CA 1.209 54.320 53.050 0.101 0.000 0.858 455 N CB 0.003 38.547 38.487 0.096 0.000 0.989 455 N HN 0.181 nan 8.380 nan 0.000 0.426 456 A N 0.355 123.255 122.820 0.133 0.000 1.898 456 A HA -0.026 4.293 4.320 -0.000 0.000 0.216 456 A C 2.202 179.903 177.584 0.196 0.000 1.181 456 A CA 0.871 53.002 52.037 0.157 0.000 0.620 456 A CB -0.742 18.340 19.000 0.136 0.000 0.819 456 A HN 0.356 nan 8.150 nan 0.000 0.442 457 L N -0.424 120.871 121.223 0.120 0.000 2.131 457 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 457 L C 2.796 179.717 176.870 0.086 0.000 1.092 457 L CA 1.541 56.421 54.840 0.067 0.000 0.759 457 L CB -0.383 41.634 42.059 -0.070 0.000 0.903 457 L HN 0.278 nan 8.230 nan 0.000 0.435 458 K N -0.589 119.871 120.400 0.101 0.000 2.097 458 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 458 K C 1.758 178.435 176.600 0.128 0.000 1.050 458 K CA 1.278 57.615 56.287 0.082 0.000 0.938 458 K CB -0.818 31.728 32.500 0.077 0.000 0.718 458 K HN 0.329 nan 8.250 nan 0.000 0.442 459 F N 1.081 121.083 119.950 0.086 0.000 2.102 459 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 459 F C 1.958 177.895 175.800 0.228 0.000 1.105 459 F CA 1.383 59.487 58.000 0.174 0.000 1.239 459 F CB -0.233 38.894 39.000 0.211 0.000 0.991 459 F HN -0.050 nan 8.300 nan 0.000 0.474 460 I N 0.500 121.310 120.570 0.400 0.000 2.194 460 I HA -0.366 3.804 4.170 -0.000 0.000 0.246 460 I C 2.218 178.423 176.117 0.147 0.000 1.093 460 I CA 1.786 63.288 61.300 0.336 0.000 1.355 460 I CB -0.442 37.715 38.000 0.262 0.000 1.046 460 I HN 0.148 nan 8.210 nan 0.000 0.413 461 K N 0.413 120.840 120.400 0.045 0.000 2.116 461 K HA -0.155 4.165 4.320 -0.000 0.000 0.203 461 K C 2.136 178.656 176.600 -0.134 0.000 1.052 461 K CA 0.819 57.084 56.287 -0.037 0.000 0.952 461 K CB -0.150 32.327 32.500 -0.039 0.000 0.729 461 K HN 0.182 nan 8.250 nan 0.000 0.446 462 K N 0.711 120.988 120.400 -0.204 0.000 2.063 462 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 462 K C 1.202 177.479 176.600 -0.538 0.000 1.048 462 K CA 1.443 57.490 56.287 -0.399 0.000 0.928 462 K CB 0.043 32.220 32.500 -0.538 0.000 0.713 462 K HN 0.289 nan 8.250 nan 0.000 0.442 463 H N -1.540 117.337 119.070 -0.322 0.000 2.549 463 H HA 0.165 4.721 4.556 -0.000 0.000 0.279 463 H C 0.667 175.583 175.328 -0.687 0.000 1.018 463 H CA 0.691 56.477 56.048 -0.437 0.000 1.175 463 H CB 1.088 30.600 29.762 -0.416 0.000 1.485 463 H HN 0.545 nan 8.280 nan 0.000 0.543 464 G N 1.124 109.692 108.800 -0.387 0.000 2.149 464 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 464 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 464 G C 0.177 174.838 174.900 -0.398 0.000 1.018 464 G CA -0.008 44.865 45.100 -0.377 0.000 0.728 464 G HN 0.314 nan 8.290 nan 0.000 0.508 465 F N 0.161 120.110 119.950 -0.001 0.000 2.641 465 F HA 0.307 4.834 4.527 -0.000 0.000 0.302 465 F C 1.665 177.470 175.800 0.008 0.000 1.098 465 F CA -0.266 57.742 58.000 0.013 0.000 1.318 465 F CB 0.529 39.553 39.000 0.039 0.000 1.035 465 F HN 0.170 nan 8.300 nan 0.000 0.551 466 D N 0.696 121.160 120.400 0.107 0.000 2.371 466 D HA -0.095 4.545 4.640 -0.000 0.000 0.221 466 D C 1.323 177.644 176.300 0.036 0.000 0.986 466 D CA 1.107 55.142 54.000 0.059 0.000 0.899 466 D CB 0.128 40.934 40.800 0.010 0.000 0.902 466 D HN 0.362 nan 8.370 nan 0.000 0.530 467 E N -0.713 119.516 120.200 0.048 0.000 2.538 467 E HA 0.147 4.497 4.350 -0.000 0.000 0.207 467 E C 0.219 176.855 176.600 0.061 0.000 1.002 467 E CA -0.304 56.118 56.400 0.037 0.000 0.952 467 E CB 0.916 30.632 29.700 0.028 0.000 1.031 467 E HN 0.288 nan 8.360 nan 0.000 0.476 468 L N 3.085 124.363 121.223 0.091 0.000 2.467 468 L HA 0.138 4.478 4.340 -0.000 0.000 0.270 468 L C -1.898 175.007 176.870 0.058 0.000 1.205 468 L CA -1.702 53.203 54.840 0.107 0.000 0.828 468 L CB -0.120 42.018 42.059 0.132 0.000 1.101 468 L HN -0.140 nan 8.230 nan 0.000 0.479 469 P HA 0.019 nan 4.420 nan 0.000 0.269 469 P C -0.862 176.401 177.300 -0.061 0.000 1.217 469 P CA -0.089 63.061 63.100 0.084 0.000 0.783 469 P CB 0.659 32.514 31.700 0.259 0.000 0.898 470 V N 3.270 123.096 119.914 -0.145 0.000 2.487 470 V HA 0.309 4.429 4.120 -0.000 0.000 0.298 470 V C 0.154 176.150 176.094 -0.164 0.000 1.028 470 V CA -0.556 61.650 62.300 -0.158 0.000 0.860 470 V CB 1.695 33.418 31.823 -0.167 0.000 0.991 470 V HN 0.354 nan 8.190 nan 0.000 0.427 471 I N 5.482 125.891 120.570 -0.268 0.000 2.354 471 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 471 I C -0.061 175.976 176.117 -0.134 0.000 1.007 471 I CA -0.451 60.654 61.300 -0.326 0.000 1.167 471 I CB 1.720 39.231 38.000 -0.814 0.000 1.320 471 I HN 0.245 nan 8.210 nan 0.000 0.458 472 V N 6.256 126.169 119.914 -0.001 0.000 2.408 472 V HA 0.395 4.515 4.120 -0.000 0.000 0.267 472 V C 0.753 176.894 176.094 0.078 0.000 1.047 472 V CA -0.533 61.812 62.300 0.076 0.000 0.937 472 V CB 1.289 33.229 31.823 0.195 0.000 0.999 472 V HN 0.828 nan 8.190 nan 0.000 0.472 473 A N 6.980 129.842 122.820 0.070 0.000 2.444 473 A HA 0.691 5.011 4.320 -0.000 0.000 0.332 473 A C 0.064 177.697 177.584 0.081 0.000 1.430 473 A CA -0.585 51.512 52.037 0.100 0.000 0.975 473 A CB 0.079 19.154 19.000 0.124 0.000 1.147 473 A HN 0.910 nan 8.150 nan 0.000 0.524 474 K N 0.555 120.984 120.400 0.049 0.000 2.439 474 K HA 0.663 4.983 4.320 -0.000 0.000 0.260 474 K C -0.170 176.387 176.600 -0.071 0.000 1.032 474 K CA -0.644 55.638 56.287 -0.008 0.000 0.882 474 K CB 0.944 33.438 32.500 -0.010 0.000 1.420 474 K HN 0.206 nan 8.250 nan 0.000 0.455 475 T N 1.343 115.827 114.554 -0.116 0.000 2.946 475 T HA 0.089 4.439 4.350 -0.000 0.000 0.312 475 T C -1.598 172.951 174.700 -0.251 0.000 1.066 475 T CA -1.028 60.961 62.100 -0.185 0.000 1.138 475 T CB 0.322 69.088 68.868 -0.169 0.000 1.014 475 T HN 0.507 nan 8.240 nan 0.000 0.544 476 P HA 0.207 nan 4.420 nan 0.000 0.261 476 P C 0.555 177.709 177.300 -0.244 0.000 1.268 476 P CA 0.267 63.074 63.100 -0.488 0.000 0.833 476 P CB 0.240 31.185 31.700 -1.257 0.000 1.231 477 K N -0.639 119.647 120.400 -0.188 0.000 2.459 477 K HA 0.157 4.477 4.320 -0.000 0.000 0.193 477 K C 0.909 177.524 176.600 0.025 0.000 1.030 477 K CA 0.292 56.533 56.287 -0.076 0.000 1.026 477 K CB 0.245 32.692 32.500 -0.089 0.000 0.809 477 K HN 0.028 nan 8.250 nan 0.000 0.504 478 S N -0.110 115.581 115.700 -0.014 0.000 2.588 478 S HA 0.287 4.757 4.470 -0.000 0.000 0.275 478 S C 0.640 175.256 174.600 0.028 0.000 1.130 478 S CA -0.920 57.284 58.200 0.007 0.000 0.855 478 S CB 1.122 64.270 63.200 -0.086 0.000 1.116 478 S HN 0.218 nan 8.310 nan 0.000 0.472 479 I N 1.370 121.971 120.570 0.051 0.000 2.676 479 I HA 0.178 4.347 4.170 -0.000 0.000 0.259 479 I C 1.023 177.247 176.117 0.178 0.000 1.194 479 I CA 0.382 61.757 61.300 0.124 0.000 1.473 479 I CB -0.462 37.585 38.000 0.078 0.000 1.096 479 I HN 0.471 nan 8.210 nan 0.000 0.443 480 S N 1.376 117.115 115.700 0.064 0.000 2.607 480 S HA 0.130 4.600 4.470 -0.000 0.000 0.272 480 S C 1.297 175.905 174.600 0.014 0.000 1.166 480 S CA 0.063 58.309 58.200 0.075 0.000 1.021 480 S CB 0.137 63.024 63.200 -0.521 0.000 1.113 480 S HN 0.569 nan 8.310 nan 0.000 0.531 481 H N -0.863 118.080 119.070 -0.212 0.000 2.548 481 H HA 0.285 4.841 4.556 -0.000 0.000 0.265 481 H C -0.493 174.659 175.328 -0.293 0.000 0.969 481 H CA 0.116 55.930 56.048 -0.390 0.000 1.155 481 H CB -0.409 28.816 29.762 -0.895 0.000 1.394 481 H HN 0.558 nan 8.280 nan 0.000 0.570 482 D N 2.689 122.637 120.400 -0.754 0.000 2.392 482 D HA 0.154 4.793 4.640 -0.000 0.000 0.228 482 D C -1.769 174.332 176.300 -0.333 0.000 1.074 482 D CA -2.462 51.163 54.000 -0.625 0.000 0.838 482 D CB 2.131 42.502 40.800 -0.714 0.000 1.067 482 D HN 0.027 nan 8.370 nan 0.000 0.511 483 P HA -0.068 nan 4.420 nan 0.000 0.225 483 P C 0.930 178.161 177.300 -0.115 0.000 1.148 483 P CA 0.561 63.571 63.100 -0.150 0.000 0.779 483 P CB 0.389 32.013 31.700 -0.127 0.000 0.780 484 S N -0.246 115.368 115.700 -0.144 0.000 2.436 484 S HA 0.035 4.505 4.470 -0.000 0.000 0.228 484 S C 1.075 175.611 174.600 -0.107 0.000 1.014 484 S CA 0.379 58.511 58.200 -0.114 0.000 0.950 484 S CB -0.516 62.610 63.200 -0.122 0.000 0.784 484 S HN 0.173 nan 8.310 nan 0.000 0.504 485 L N 3.471 124.611 121.223 -0.137 0.000 2.334 485 L HA 0.279 4.619 4.340 -0.000 0.000 0.286 485 L C 0.523 177.368 176.870 -0.041 0.000 1.108 485 L CA -0.294 54.474 54.840 -0.119 0.000 0.875 485 L CB 0.085 42.021 42.059 -0.204 0.000 1.246 485 L HN 0.095 nan 8.230 nan 0.000 0.439 486 R N 1.322 121.824 120.500 0.003 0.000 2.652 486 R HA 0.557 4.896 4.340 -0.000 0.000 0.271 486 R C 1.090 177.467 176.300 0.129 0.000 1.129 486 R CA 0.239 56.419 56.100 0.135 0.000 1.200 486 R CB 0.340 30.686 30.300 0.078 0.000 1.146 486 R HN 0.724 nan 8.270 nan 0.000 0.581 487 G N 0.065 109.018 108.800 0.255 0.000 2.543 487 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.286 487 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.286 487 G C -0.347 174.536 174.900 -0.030 0.000 1.153 487 G CA 0.166 45.310 45.100 0.073 0.000 0.968 487 G HN 0.872 nan 8.290 nan 0.000 0.544 488 A N 1.488 124.308 122.820 -0.002 0.000 3.258 488 A HA 0.719 5.039 4.320 -0.000 0.000 0.318 488 A C -1.816 175.796 177.584 0.047 0.000 0.990 488 A CA 0.112 52.147 52.037 -0.003 0.000 0.885 488 A CB 0.679 19.672 19.000 -0.012 0.000 1.090 488 A HN 0.750 nan 8.150 nan 0.000 0.479 489 P HA 0.334 nan 4.420 nan 0.000 0.266 489 P C -0.401 177.072 177.300 0.288 0.000 1.195 489 P CA 0.674 63.842 63.100 0.113 0.000 0.768 489 P CB 0.944 32.618 31.700 -0.043 0.000 0.838 490 E N -0.532 119.851 120.200 0.304 0.000 2.408 490 E HA 0.567 4.917 4.350 -0.000 0.000 0.275 490 E C 0.755 177.468 176.600 0.187 0.000 0.935 490 E CA -0.337 56.212 56.400 0.248 0.000 0.775 490 E CB 1.236 31.002 29.700 0.110 0.000 1.277 490 E HN 0.812 nan 8.360 nan 0.000 0.455 491 G N 0.037 108.839 108.800 0.002 0.000 2.212 491 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.266 491 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.266 491 G C 0.259 175.138 174.900 -0.034 0.000 0.978 491 G CA 0.852 45.931 45.100 -0.035 0.000 0.632 491 G HN 1.095 nan 8.290 nan 0.000 0.537 492 Y N 0.496 120.845 120.300 0.081 0.000 2.335 492 Y HA 0.627 5.176 4.550 -0.000 0.000 0.348 492 Y C 0.652 176.613 175.900 0.101 0.000 1.280 492 Y CA -0.141 58.017 58.100 0.097 0.000 1.504 492 Y CB 0.306 38.845 38.460 0.132 0.000 1.366 492 Y HN 0.047 nan 8.280 nan 0.000 0.621 493 T N 3.962 118.653 114.554 0.228 0.000 2.728 493 T HA 0.211 4.561 4.350 -0.000 0.000 0.296 493 T C -1.152 173.623 174.700 0.125 0.000 0.940 493 T CA -0.325 61.835 62.100 0.099 0.000 1.013 493 T CB -0.464 68.444 68.868 0.067 0.000 0.912 493 T HN 0.502 nan 8.240 nan 0.000 0.484 494 F N 5.367 125.229 119.950 -0.147 0.000 2.445 494 F HA 0.452 4.979 4.527 -0.000 0.000 0.359 494 F C -0.211 175.318 175.800 -0.452 0.000 1.101 494 F CA -0.679 57.131 58.000 -0.317 0.000 1.177 494 F CB 0.496 39.448 39.000 -0.079 0.000 1.110 494 F HN 0.220 nan 8.300 nan 0.000 0.522 495 V N 7.144 126.415 119.914 -1.072 0.000 2.394 495 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 495 V C -0.400 175.425 176.094 -0.448 0.000 1.031 495 V CA -0.859 61.117 62.300 -0.540 0.000 0.881 495 V CB 1.302 32.921 31.823 -0.339 0.000 0.982 495 V HN 0.508 nan 8.190 nan 0.000 0.451 496 V N 4.287 124.032 119.914 -0.282 0.000 2.370 496 V HA 0.258 4.378 4.120 -0.000 0.000 0.283 496 V C 0.886 176.948 176.094 -0.054 0.000 1.023 496 V CA 0.134 62.332 62.300 -0.169 0.000 0.857 496 V CB 1.363 32.982 31.823 -0.341 0.000 0.985 496 V HN 0.986 nan 8.190 nan 0.000 0.443 497 S N 2.693 118.394 115.700 0.002 0.000 2.404 497 S HA 0.079 4.549 4.470 -0.000 0.000 0.223 497 S C 0.382 175.037 174.600 0.093 0.000 1.040 497 S CA 0.586 58.811 58.200 0.042 0.000 0.957 497 S CB 0.061 63.283 63.200 0.037 0.000 0.826 497 S HN 0.906 nan 8.310 nan 0.000 0.491 498 D N -1.414 119.055 120.400 0.115 0.000 2.692 498 D HA 0.603 5.243 4.640 -0.000 0.000 0.290 498 D C -2.051 174.339 176.300 0.150 0.000 1.281 498 D CA -0.509 53.578 54.000 0.145 0.000 0.804 498 D CB 1.027 41.916 40.800 0.148 0.000 1.331 498 D HN -0.058 nan 8.370 nan 0.000 0.432 499 L N 1.047 122.364 121.223 0.156 0.000 2.465 499 L HA 0.730 5.069 4.340 -0.000 0.000 0.257 499 L C -0.786 176.177 176.870 0.156 0.000 0.988 499 L CA -0.727 54.169 54.840 0.093 0.000 0.827 499 L CB 1.896 44.015 42.059 0.099 0.000 1.397 499 L HN 0.460 nan 8.230 nan 0.000 0.410 500 F N -0.675 119.279 119.950 0.006 0.000 2.692 500 F HA 0.924 5.450 4.527 -0.000 0.000 0.320 500 F C -1.313 174.428 175.800 -0.098 0.000 1.123 500 F CA -1.333 56.618 58.000 -0.083 0.000 0.961 500 F CB 1.326 40.253 39.000 -0.122 0.000 1.383 500 F HN 0.036 nan 8.300 nan 0.000 0.483 501 V N 1.426 121.384 119.914 0.074 0.000 2.384 501 V HA 0.408 4.528 4.120 -0.000 0.000 0.287 501 V C -0.503 175.513 176.094 -0.130 0.000 1.020 501 V CA -0.615 61.574 62.300 -0.184 0.000 0.850 501 V CB 1.194 32.703 31.823 -0.524 0.000 0.987 501 V HN 0.817 nan 8.190 nan 0.000 0.436 502 S N 3.741 119.318 115.700 -0.205 0.000 2.921 502 S HA 0.352 4.822 4.470 -0.000 0.000 0.244 502 S C 1.306 175.667 174.600 -0.397 0.000 1.291 502 S CA 0.141 58.160 58.200 -0.302 0.000 1.010 502 S CB 1.042 63.889 63.200 -0.589 0.000 1.255 502 S HN 0.940 nan 8.310 nan 0.000 0.492 503 A N 2.526 125.157 122.820 -0.315 0.000 1.969 503 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 503 A C 2.078 179.590 177.584 -0.121 0.000 1.169 503 A CA 1.509 53.401 52.037 -0.243 0.000 0.635 503 A CB -0.652 18.229 19.000 -0.199 0.000 0.810 503 A HN 0.700 nan 8.150 nan 0.000 0.445 504 G N -0.809 107.915 108.800 -0.126 0.000 2.411 504 G HA2 0.159 4.118 3.960 -0.000 0.000 0.213 504 G HA3 0.159 4.118 3.960 -0.000 0.000 0.213 504 G C 1.676 176.521 174.900 -0.092 0.000 1.166 504 G CA 0.994 46.047 45.100 -0.077 0.000 0.802 504 G HN 0.701 nan 8.290 nan 0.000 0.533 505 A N -0.080 122.618 122.820 -0.203 0.000 1.969 505 A HA 0.389 4.709 4.320 -0.000 0.000 0.218 505 A C 2.052 179.530 177.584 -0.176 0.000 1.169 505 A CA 1.794 53.685 52.037 -0.244 0.000 0.635 505 A CB -0.577 18.070 19.000 -0.588 0.000 0.810 505 A HN 1.690 nan 8.150 nan 0.000 0.445 506 G N -1.984 106.663 108.800 -0.256 0.000 2.164 506 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 506 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 506 G C -0.107 174.811 174.900 0.030 0.000 1.031 506 G CA 0.132 45.216 45.100 -0.026 0.000 0.730 506 G HN 1.515 nan 8.290 nan 0.000 0.501 507 F N -2.192 117.689 119.950 -0.115 0.000 2.645 507 F HA 0.811 5.338 4.527 -0.000 0.000 0.310 507 F C -0.455 175.222 175.800 -0.205 0.000 1.102 507 F CA -2.165 55.701 58.000 -0.223 0.000 0.952 507 F CB 1.142 39.839 39.000 -0.505 0.000 1.326 507 F HN 0.110 nan 8.300 nan 0.000 0.456 508 V N 2.664 122.640 119.914 0.102 0.000 2.465 508 V HA 0.495 4.615 4.120 -0.000 0.000 0.279 508 V C -0.249 175.816 176.094 -0.050 0.000 1.045 508 V CA -0.786 61.504 62.300 -0.017 0.000 0.938 508 V CB 1.390 33.202 31.823 -0.018 0.000 0.986 508 V HN 0.712 nan 8.190 nan 0.000 0.467 509 V N 4.327 124.068 119.914 -0.289 0.000 2.407 509 V HA 0.665 4.785 4.120 -0.000 0.000 0.278 509 V C 0.465 176.351 176.094 -0.346 0.000 1.037 509 V CA -0.421 61.616 62.300 -0.439 0.000 0.900 509 V CB 1.462 32.693 31.823 -0.986 0.000 0.983 509 V HN 0.975 nan 8.190 nan 0.000 0.459 510 A N 6.265 128.998 122.820 -0.145 0.000 2.258 510 A HA 0.821 5.140 4.320 -0.000 0.000 0.316 510 A C -0.851 176.748 177.584 0.025 0.000 1.279 510 A CA -0.432 51.596 52.037 -0.016 0.000 0.876 510 A CB 0.398 19.437 19.000 0.065 0.000 1.170 510 A HN 0.731 nan 8.150 nan 0.000 0.520 511 L N 1.781 123.033 121.223 0.048 0.000 2.307 511 L HA 0.589 4.929 4.340 -0.000 0.000 0.282 511 L C 0.674 177.581 176.870 0.062 0.000 1.051 511 L CA 0.046 54.933 54.840 0.078 0.000 0.804 511 L CB 2.064 44.198 42.059 0.124 0.000 1.197 511 L HN 0.591 nan 8.230 nan 0.000 0.431 512 S N 1.953 117.675 115.700 0.037 0.000 2.718 512 S HA 0.766 5.236 4.470 -0.000 0.000 0.294 512 S C -0.085 174.499 174.600 -0.028 0.000 1.157 512 S CA 0.202 58.377 58.200 -0.043 0.000 1.121 512 S CB 0.167 63.263 63.200 -0.174 0.000 1.015 512 S HN 1.095 nan 8.310 nan 0.000 0.479 513 G N 4.059 112.853 108.800 -0.011 0.000 2.698 513 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.225 513 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.225 513 G C -1.442 173.472 174.900 0.023 0.000 1.345 513 G CA -0.666 44.430 45.100 -0.006 0.000 0.871 513 G HN 0.618 nan 8.290 nan 0.000 0.540 514 D N 0.326 120.737 120.400 0.018 0.000 2.256 514 D HA 0.493 5.133 4.640 -0.000 0.000 0.250 514 D C 0.409 176.738 176.300 0.047 0.000 1.093 514 D CA -0.029 53.994 54.000 0.038 0.000 0.882 514 D CB 1.253 42.069 40.800 0.026 0.000 1.185 514 D HN 0.325 nan 8.370 nan 0.000 0.437 515 I N 2.306 122.925 120.570 0.081 0.000 2.354 515 I HA 0.084 4.253 4.170 -0.000 0.000 0.292 515 I C 0.499 176.685 176.117 0.116 0.000 0.989 515 I CA -0.731 60.635 61.300 0.111 0.000 1.188 515 I CB 0.817 38.918 38.000 0.168 0.000 1.342 515 I HN 0.156 nan 8.210 nan 0.000 0.457 516 N N 7.685 126.455 118.700 0.117 0.000 2.402 516 N HA 0.283 5.022 4.740 -0.000 0.000 0.259 516 N C -0.690 174.945 175.510 0.207 0.000 1.167 516 N CA 0.149 53.271 53.050 0.120 0.000 0.949 516 N CB 0.245 38.785 38.487 0.088 0.000 1.212 516 N HN 0.481 nan 8.380 nan 0.000 0.493 520 G N 0.102 108.914 108.800 0.020 0.000 2.531 520 G HA2 0.664 4.624 3.960 -0.000 0.000 0.313 520 G HA3 0.664 4.624 3.960 -0.000 0.000 0.313 520 G C -0.653 174.249 174.900 0.003 0.000 1.238 520 G CA -1.013 44.091 45.100 0.007 0.000 0.994 520 G HN 0.482 nan 8.290 nan 0.000 0.493 521 L N 1.422 122.643 121.223 -0.002 0.000 2.343 521 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 521 L C -1.440 175.427 176.870 -0.006 0.000 1.056 521 L CA -1.541 53.296 54.840 -0.004 0.000 0.804 521 L CB 1.739 43.794 42.059 -0.007 0.000 1.203 521 L HN 0.395 nan 8.230 nan 0.000 0.440 522 P HA 0.136 nan 4.420 nan 0.000 0.279 522 P C -0.029 177.266 177.300 -0.007 0.000 1.276 522 P CA -0.690 62.405 63.100 -0.008 0.000 0.801 522 P CB 1.070 32.765 31.700 -0.009 0.000 1.127 523 K N -0.095 120.301 120.400 -0.008 0.000 2.103 523 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 523 K C 0.309 176.905 176.600 -0.007 0.000 1.048 523 K CA 1.280 57.563 56.287 -0.007 0.000 0.930 523 K CB 0.064 32.560 32.500 -0.007 0.000 0.716 523 K HN 0.191 nan 8.250 nan 0.000 0.444 524 K N 1.787 122.183 120.400 -0.007 0.000 2.540 524 K HA 0.292 4.612 4.320 -0.000 0.000 0.218 524 K C -2.662 173.934 176.600 -0.006 0.000 1.017 524 K CA -2.061 54.222 56.287 -0.006 0.000 1.029 524 K CB 1.455 33.951 32.500 -0.006 0.000 1.348 524 K HN 0.104 nan 8.250 nan 0.000 0.508 525 P HA 0.131 nan 4.420 nan 0.000 0.274 525 P C 0.672 177.968 177.300 -0.006 0.000 1.237 525 P CA -0.327 62.769 63.100 -0.006 0.000 0.793 525 P CB 0.897 32.593 31.700 -0.006 0.000 0.977 526 N N 1.676 120.372 118.700 -0.007 0.000 2.272 526 N HA -0.195 4.545 4.740 -0.000 0.000 0.185 526 N C 1.665 177.172 175.510 -0.006 0.000 1.014 526 N CA 1.624 54.670 53.050 -0.007 0.000 0.870 526 N CB -0.721 37.760 38.487 -0.009 0.000 0.975 526 N HN 0.439 nan 8.380 nan 0.000 0.433 527 A N 0.332 123.149 122.820 -0.005 0.000 2.032 527 A HA -0.137 4.183 4.320 -0.000 0.000 0.221 527 A C 2.173 179.756 177.584 -0.001 0.000 1.165 527 A CA 1.119 53.154 52.037 -0.003 0.000 0.645 527 A CB -0.770 18.229 19.000 -0.002 0.000 0.807 527 A HN 0.421 nan 8.150 nan 0.000 0.453 528 L N -0.471 120.751 121.223 -0.002 0.000 2.275 528 L HA -0.086 4.253 4.340 -0.000 0.000 0.215 528 L C 0.781 177.651 176.870 -0.001 0.000 1.119 528 L CA 0.186 55.025 54.840 -0.001 0.000 0.790 528 L CB -0.512 41.546 42.059 -0.002 0.000 0.919 528 L HN 0.379 nan 8.230 nan 0.000 0.443 532 V N 2.396 122.319 119.914 0.015 0.000 2.407 532 V HA 0.368 4.487 4.120 -0.000 0.000 0.291 532 V C -0.383 175.719 176.094 0.015 0.000 1.018 532 V CA -0.828 61.482 62.300 0.017 0.000 0.842 532 V CB 1.384 33.221 31.823 0.023 0.000 0.996 532 V HN 0.557 nan 8.190 nan 0.000 0.426 533 D N 2.084 122.492 120.400 0.013 0.000 2.312 533 D HA 0.088 4.727 4.640 -0.000 0.000 0.248 533 D C 0.955 177.262 176.300 0.012 0.000 1.086 533 D CA -0.104 53.902 54.000 0.011 0.000 0.948 533 D CB 1.087 41.892 40.800 0.008 0.000 1.162 533 D HN 0.243 nan 8.370 nan 0.000 0.446 534 D N -0.089 120.317 120.400 0.010 0.000 2.263 534 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 534 D C 1.668 177.975 176.300 0.013 0.000 1.013 534 D CA 2.064 56.070 54.000 0.011 0.000 0.892 534 D CB -0.312 40.493 40.800 0.008 0.000 0.909 534 D HN 0.583 nan 8.370 nan 0.000 0.449 535 S N -1.257 114.450 115.700 0.013 0.000 2.607 535 S HA 0.347 4.817 4.470 -0.000 0.000 0.224 535 S C 1.846 176.458 174.600 0.020 0.000 0.969 535 S CA 0.516 58.725 58.200 0.015 0.000 0.927 535 S CB 0.479 63.687 63.200 0.014 0.000 0.772 535 S HN 0.731 nan 8.310 nan 0.000 0.533 536 G N 1.866 110.678 108.800 0.020 0.000 2.160 536 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.251 536 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.251 536 G C -0.356 174.559 174.900 0.026 0.000 1.008 536 G CA -0.188 44.926 45.100 0.024 0.000 0.724 536 G HN 0.587 nan 8.290 nan 0.000 0.514 537 N N -0.577 118.136 118.700 0.022 0.000 2.473 537 N HA 0.595 5.335 4.740 -0.000 0.000 0.291 537 N C 0.442 175.963 175.510 0.017 0.000 1.083 537 N CA -0.837 52.224 53.050 0.020 0.000 0.951 537 N CB 1.305 39.800 38.487 0.014 0.000 1.164 537 N HN 0.229 nan 8.380 nan 0.000 0.480 538 I N 2.112 122.693 120.570 0.018 0.000 2.556 538 I HA 0.087 4.257 4.170 -0.000 0.000 0.284 538 I C 0.174 176.294 176.117 0.005 0.000 1.114 538 I CA -0.280 61.028 61.300 0.014 0.000 1.418 538 I CB 0.263 38.272 38.000 0.016 0.000 1.394 538 I HN 0.246 nan 8.210 nan 0.000 0.552 539 V N 2.376 122.293 119.914 0.004 0.000 2.823 539 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 539 V C 0.435 176.528 176.094 -0.002 0.000 1.072 539 V CA 0.091 62.390 62.300 -0.000 0.000 0.937 539 V CB 1.389 33.213 31.823 0.000 0.000 1.013 539 V HN 1.030 nan 8.190 nan 0.000 0.430 540 G N 1.846 110.643 108.800 -0.005 0.000 2.176 540 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.232 540 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.232 540 G C 0.318 175.212 174.900 -0.009 0.000 0.986 540 G CA 0.384 45.481 45.100 -0.005 0.000 0.643 540 G HN 1.302 nan 8.290 nan 0.000 0.522 541 V N 0.604 120.510 119.914 -0.013 0.000 2.426 541 V HA 0.188 4.308 4.120 -0.000 0.000 0.242 541 V C 1.751 177.831 176.094 -0.023 0.000 1.036 541 V CA 2.210 64.498 62.300 -0.021 0.000 1.044 541 V CB 0.162 31.969 31.823 -0.026 0.000 0.688 541 V HN 0.484 nan 8.190 nan 0.000 0.462 542 S N 0.000 115.687 115.700 -0.022 0.000 2.498 542 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 542 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 542 S CB 0.000 63.181 63.200 -0.032 0.000 0.593 542 S HN 0.000 nan 8.310 nan 0.000 0.517