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 1v55_1_A DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.829 175.800 0.048 0.000 0.967 2 F CA 0.000 58.060 58.000 0.100 0.000 1.383 2 F CB 0.000 39.058 39.000 0.096 0.000 1.145 3 I N 1.408 121.978 120.570 -0.000 0.000 2.179 3 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 3 I C 1.734 177.483 176.117 -0.614 0.000 1.088 3 I CA 1.960 63.086 61.300 -0.291 0.000 1.357 3 I CB -0.514 37.287 38.000 -0.332 0.000 1.051 3 I HN 0.275 nan 8.210 nan 0.000 0.409 4 N N 0.565 118.983 118.700 -0.469 0.000 2.104 4 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 4 N C 1.907 177.250 175.510 -0.278 0.000 1.024 4 N CA 1.317 54.166 53.050 -0.334 0.000 0.853 4 N CB -0.241 38.162 38.487 -0.140 0.000 1.008 4 N HN 0.225 nan 8.380 nan 0.000 0.424 5 R N -1.149 119.107 120.500 -0.406 0.000 2.075 5 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 5 R C 1.132 176.923 176.300 -0.849 0.000 1.114 5 R CA 1.222 56.929 56.100 -0.656 0.000 0.972 5 R CB -0.124 29.660 30.300 -0.860 0.000 0.869 5 R HN 0.312 nan 8.270 nan 0.000 0.437 6 W N -1.046 120.017 121.300 -0.395 0.000 3.107 6 W HA 0.194 4.854 4.660 -0.000 0.000 0.293 6 W C 1.016 177.525 176.519 -0.016 0.000 1.239 6 W CA -0.576 56.576 57.345 -0.323 0.000 1.653 6 W CB 0.481 29.533 29.460 -0.679 0.000 1.068 6 W HN 0.076 nan 8.180 nan 0.000 0.615 7 L N -1.731 119.523 121.223 0.052 0.000 2.609 7 L HA 0.220 4.560 4.340 -0.000 0.000 0.230 7 L C 0.768 177.865 176.870 0.379 0.000 1.064 7 L CA 0.870 55.783 54.840 0.121 0.000 0.873 7 L CB -0.360 41.550 42.059 -0.247 0.000 1.139 7 L HN -0.166 nan 8.230 nan 0.000 0.490 8 F N -1.174 118.781 119.950 0.009 0.000 2.708 8 F HA 0.398 4.925 4.527 -0.000 0.000 0.300 8 F C 1.238 177.031 175.800 -0.011 0.000 1.118 8 F CA -1.145 56.851 58.000 -0.007 0.000 1.307 8 F CB -0.977 37.996 39.000 -0.044 0.000 0.986 8 F HN -0.201 nan 8.300 nan 0.000 0.522 9 S N 0.973 116.765 115.700 0.155 0.000 2.563 9 S HA 0.182 4.652 4.470 -0.000 0.000 0.284 9 S C 1.114 175.728 174.600 0.025 0.000 1.331 9 S CA 0.793 58.996 58.200 0.006 0.000 1.047 9 S CB 0.357 63.490 63.200 -0.112 0.000 0.859 9 S HN 0.488 nan 8.310 nan 0.000 0.514 10 T N 1.062 115.600 114.554 -0.028 0.000 3.399 10 T HA 0.296 4.646 4.350 -0.000 0.000 0.305 10 T C -0.219 174.416 174.700 -0.109 0.000 0.983 10 T CA -0.673 61.412 62.100 -0.026 0.000 0.967 10 T CB -0.484 68.394 68.868 0.017 0.000 1.186 10 T HN 0.547 nan 8.240 nan 0.000 0.504 11 N N 1.411 119.970 118.700 -0.235 0.000 2.392 11 N HA 0.164 4.904 4.740 -0.000 0.000 0.283 11 N C 1.020 176.278 175.510 -0.420 0.000 1.003 11 N CA -0.265 52.514 53.050 -0.451 0.000 0.892 11 N CB 1.499 39.452 38.487 -0.890 0.000 1.193 11 N HN 0.554 nan 8.380 nan 0.000 0.487 12 H N 3.266 122.076 119.070 -0.434 0.000 2.421 12 H HA -0.000 4.556 4.556 -0.000 0.000 0.298 12 H C 1.011 175.971 175.328 -0.614 0.000 1.087 12 H CA 1.422 57.224 56.048 -0.410 0.000 1.330 12 H CB 0.331 29.896 29.762 -0.328 0.000 1.388 12 H HN 0.503 nan 8.280 nan 0.000 0.526 13 K N 0.269 119.779 120.400 -1.484 0.000 2.031 13 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 13 K C 1.646 177.535 176.600 -1.184 0.000 1.049 13 K CA 1.295 56.435 56.287 -1.912 0.000 0.939 13 K CB 0.084 31.418 32.500 -1.943 0.000 0.717 13 K HN 0.248 nan 8.250 nan 0.000 0.438 14 D N 1.145 121.092 120.400 -0.756 0.000 2.117 14 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 14 D C 1.856 178.007 176.300 -0.248 0.000 0.987 14 D CA 1.003 54.771 54.000 -0.387 0.000 0.829 14 D CB -0.139 40.301 40.800 -0.599 0.000 0.961 14 D HN 0.136 nan 8.370 nan 0.000 0.460 15 I N 0.582 120.952 120.570 -0.332 0.000 2.315 15 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 15 I C 2.479 178.536 176.117 -0.099 0.000 1.117 15 I CA 1.180 62.332 61.300 -0.247 0.000 1.404 15 I CB -0.364 37.558 38.000 -0.130 0.000 1.071 15 I HN 0.021 nan 8.210 nan 0.000 0.419 16 G N 0.038 108.735 108.800 -0.171 0.000 2.422 16 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 16 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 16 G C 1.662 176.622 174.900 0.100 0.000 1.146 16 G CA 1.376 46.468 45.100 -0.014 0.000 0.769 16 G HN 0.271 nan 8.290 nan 0.000 0.547 17 T N 1.248 115.827 114.554 0.043 0.000 2.777 17 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 17 T C 2.428 177.140 174.700 0.020 0.000 1.040 17 T CA 0.768 62.964 62.100 0.161 0.000 1.141 17 T CB -0.186 68.832 68.868 0.249 0.000 0.868 17 T HN 0.154 nan 8.240 nan 0.000 0.444 18 L N -0.513 120.600 121.223 -0.184 0.000 2.046 18 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 18 L C 2.375 179.057 176.870 -0.312 0.000 1.077 18 L CA 1.525 56.040 54.840 -0.543 0.000 0.747 18 L CB -0.593 40.596 42.059 -1.451 0.000 0.896 18 L HN 0.273 nan 8.230 nan 0.000 0.432 19 Y N -0.015 120.173 120.300 -0.186 0.000 2.181 19 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 19 Y C 2.423 178.462 175.900 0.231 0.000 1.146 19 Y CA 1.340 59.546 58.100 0.177 0.000 1.164 19 Y CB -0.341 38.204 38.460 0.141 0.000 0.982 19 Y HN 0.043 nan 8.280 nan 0.000 0.515 20 L N -0.967 120.429 121.223 0.287 0.000 2.046 20 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 20 L C 2.239 179.265 176.870 0.258 0.000 1.077 20 L CA 1.077 56.050 54.840 0.220 0.000 0.747 20 L CB -0.685 41.462 42.059 0.146 0.000 0.896 20 L HN 0.255 nan 8.230 nan 0.000 0.432 21 L N -1.299 120.063 121.223 0.233 0.000 2.017 21 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 21 L C 2.578 179.631 176.870 0.303 0.000 1.073 21 L CA 1.393 56.363 54.840 0.217 0.000 0.745 21 L CB -0.562 41.565 42.059 0.112 0.000 0.894 21 L HN 0.165 nan 8.230 nan 0.000 0.432 22 F N 0.888 120.979 119.950 0.235 0.000 2.095 22 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 22 F C 2.256 178.285 175.800 0.382 0.000 1.104 22 F CA 1.744 59.931 58.000 0.312 0.000 1.232 22 F CB -0.559 38.662 39.000 0.369 0.000 0.987 22 F HN -0.007 nan 8.300 nan 0.000 0.475 23 G N -0.445 108.675 108.800 0.534 0.000 2.422 23 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 23 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 23 G C 1.780 176.817 174.900 0.228 0.000 1.146 23 G CA 0.778 46.106 45.100 0.380 0.000 0.769 23 G HN 0.620 nan 8.290 nan 0.000 0.547 24 A N -0.144 122.799 122.820 0.206 0.000 1.898 24 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 24 A C 2.153 179.829 177.584 0.153 0.000 1.181 24 A CA 1.546 53.659 52.037 0.127 0.000 0.620 24 A CB -0.709 18.355 19.000 0.107 0.000 0.819 24 A HN 0.532 nan 8.150 nan 0.000 0.442 25 W N 0.535 121.839 121.300 0.007 0.000 2.358 25 W HA -0.094 4.566 4.660 -0.000 0.000 0.303 25 W C 2.506 179.024 176.519 -0.002 0.000 1.208 25 W CA 2.170 59.500 57.345 -0.026 0.000 1.274 25 W CB -0.154 29.260 29.460 -0.076 0.000 1.138 25 W HN 0.350 nan 8.180 nan 0.000 0.515 26 A N 0.342 123.306 122.820 0.240 0.000 1.933 26 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 26 A C 2.202 179.839 177.584 0.089 0.000 1.175 26 A CA 1.916 54.091 52.037 0.229 0.000 0.628 26 A CB -1.661 17.452 19.000 0.189 0.000 0.814 26 A HN 0.404 nan 8.150 nan 0.000 0.444 27 G N -0.882 107.958 108.800 0.066 0.000 2.442 27 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 27 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 27 G C 1.459 176.351 174.900 -0.014 0.000 1.141 27 G CA 1.319 46.442 45.100 0.038 0.000 0.763 27 G HN 0.347 nan 8.290 nan 0.000 0.554 28 M N 0.434 119.974 119.600 -0.101 0.000 2.132 28 M HA 0.010 4.490 4.480 -0.000 0.000 0.263 28 M C 2.792 178.979 176.300 -0.187 0.000 1.065 28 M CA 0.686 55.882 55.300 -0.173 0.000 1.122 28 M CB -1.222 31.197 32.600 -0.301 0.000 1.365 28 M HN 0.114 nan 8.290 nan 0.000 0.411 29 V N 0.302 120.063 119.914 -0.254 0.000 2.295 29 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 29 V C 2.635 178.745 176.094 0.026 0.000 1.049 29 V CA 2.103 64.310 62.300 -0.156 0.000 1.024 29 V CB -1.780 29.995 31.823 -0.079 0.000 0.648 29 V HN 0.564 nan 8.190 nan 0.000 0.447 30 G N -0.663 108.186 108.800 0.081 0.000 2.422 30 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 30 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 30 G C 1.680 176.708 174.900 0.213 0.000 1.146 30 G CA 1.490 46.687 45.100 0.161 0.000 0.769 30 G HN 0.482 nan 8.290 nan 0.000 0.547 31 T N 1.547 116.165 114.554 0.106 0.000 2.812 31 T HA 0.090 4.440 4.350 -0.000 0.000 0.264 31 T C 2.850 177.573 174.700 0.038 0.000 1.042 31 T CA 1.327 63.478 62.100 0.084 0.000 1.140 31 T CB -0.342 68.546 68.868 0.034 0.000 0.870 31 T HN 0.351 nan 8.240 nan 0.000 0.445 32 A N 1.379 124.200 122.820 0.001 0.000 1.908 32 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 32 A C 2.301 179.892 177.584 0.011 0.000 1.181 32 A CA 1.289 53.314 52.037 -0.020 0.000 0.627 32 A CB -0.951 18.020 19.000 -0.049 0.000 0.818 32 A HN 0.464 nan 8.150 nan 0.000 0.445 33 L N 0.342 121.597 121.223 0.053 0.000 2.046 33 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 33 L C 3.042 179.893 176.870 -0.031 0.000 1.077 33 L CA 1.688 56.565 54.840 0.061 0.000 0.747 33 L CB -0.445 41.710 42.059 0.159 0.000 0.896 33 L HN 0.639 nan 8.230 nan 0.000 0.432 34 S N -0.304 115.352 115.700 -0.075 0.000 2.402 34 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 34 S C 1.919 176.469 174.600 -0.083 0.000 1.021 34 S CA 0.750 58.793 58.200 -0.263 0.000 0.974 34 S CB -0.466 62.624 63.200 -0.184 0.000 0.800 34 S HN 0.369 nan 8.310 nan 0.000 0.484 35 L N 0.375 121.588 121.223 -0.017 0.000 2.156 35 L HA 0.127 4.467 4.340 -0.000 0.000 0.208 35 L C 2.558 179.472 176.870 0.074 0.000 1.095 35 L CA 0.737 55.596 54.840 0.031 0.000 0.770 35 L CB -0.439 41.604 42.059 -0.026 0.000 0.914 35 L HN 0.301 nan 8.230 nan 0.000 0.439 36 L N -0.524 120.728 121.223 0.048 0.000 2.083 36 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 36 L C 2.418 179.360 176.870 0.120 0.000 1.083 36 L CA 1.276 56.164 54.840 0.080 0.000 0.752 36 L CB -0.288 41.805 42.059 0.058 0.000 0.899 36 L HN 0.207 nan 8.230 nan 0.000 0.433 37 I N -0.731 119.881 120.570 0.071 0.000 2.142 37 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 37 I C 2.648 178.893 176.117 0.213 0.000 1.078 37 I CA 1.235 62.627 61.300 0.153 0.000 1.343 37 I CB -0.339 37.658 38.000 -0.005 0.000 1.046 37 I HN 0.228 nan 8.210 nan 0.000 0.405 38 R N 0.696 121.262 120.500 0.112 0.000 2.189 38 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 38 R C 2.201 178.564 176.300 0.105 0.000 1.092 38 R CA 1.230 57.385 56.100 0.092 0.000 0.989 38 R CB -0.457 29.869 30.300 0.043 0.000 0.876 38 R HN 0.393 nan 8.270 nan 0.000 0.457 39 A N 1.102 124.005 122.820 0.139 0.000 1.897 39 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 39 A C 2.074 179.714 177.584 0.093 0.000 1.181 39 A CA 1.361 53.471 52.037 0.121 0.000 0.620 39 A CB -0.251 18.841 19.000 0.153 0.000 0.821 39 A HN 0.203 nan 8.150 nan 0.000 0.443 40 E N 0.307 120.584 120.200 0.129 0.000 2.153 40 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 40 E C 1.474 178.096 176.600 0.036 0.000 0.988 40 E CA 1.210 57.661 56.400 0.085 0.000 0.811 40 E CB -0.331 29.460 29.700 0.152 0.000 0.746 40 E HN 0.584 nan 8.360 nan 0.000 0.466 41 L N -0.924 120.358 121.223 0.099 0.000 2.607 41 L HA 0.296 4.636 4.340 -0.000 0.000 0.228 41 L C 2.049 179.019 176.870 0.168 0.000 1.123 41 L CA 0.297 55.235 54.840 0.163 0.000 0.890 41 L CB 0.074 42.236 42.059 0.170 0.000 1.103 41 L HN 0.218 nan 8.230 nan 0.000 0.468 42 G N 0.639 109.484 108.800 0.075 0.000 2.470 42 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.220 42 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.220 42 G C 0.568 175.492 174.900 0.040 0.000 1.121 42 G CA 0.416 45.530 45.100 0.022 0.000 0.766 42 G HN 0.536 nan 8.290 nan 0.000 0.553 43 Q N -1.096 118.743 119.800 0.065 0.000 2.482 43 Q HA 0.524 4.864 4.340 -0.000 0.000 0.286 43 Q C -3.324 172.677 176.000 0.002 0.000 1.007 43 Q CA -2.157 53.680 55.803 0.057 0.000 0.801 43 Q CB 1.617 30.353 28.738 -0.004 0.000 1.455 43 Q HN -0.120 nan 8.270 nan 0.000 0.398 44 P HA 0.383 nan 4.420 nan 0.000 0.267 44 P C 0.045 177.226 177.300 -0.199 0.000 1.200 44 P CA 1.433 64.381 63.100 -0.252 0.000 0.772 44 P CB 0.613 32.240 31.700 -0.121 0.000 0.855 45 G N 0.189 108.835 108.800 -0.256 0.000 2.466 45 G HA2 0.034 3.994 3.960 -0.000 0.000 0.316 45 G HA3 0.034 3.994 3.960 -0.000 0.000 0.316 45 G C -0.948 173.853 174.900 -0.164 0.000 1.270 45 G CA -0.322 44.678 45.100 -0.168 0.000 0.982 45 G HN 0.698 nan 8.290 nan 0.000 0.506 46 T N -0.660 113.826 114.554 -0.112 0.000 2.855 46 T HA 0.608 4.958 4.350 -0.000 0.000 0.281 46 T C 0.937 175.604 174.700 -0.054 0.000 1.007 46 T CA 0.434 62.477 62.100 -0.094 0.000 1.009 46 T CB 1.446 70.267 68.868 -0.077 0.000 0.983 46 T HN 1.485 nan 8.240 nan 0.000 0.455 47 L N 4.615 125.818 121.223 -0.033 0.000 2.435 47 L HA 0.503 4.843 4.340 -0.000 0.000 0.195 47 L C 1.834 178.714 176.870 0.018 0.000 1.072 47 L CA 1.023 55.863 54.840 -0.001 0.000 0.833 47 L CB -0.452 41.619 42.059 0.020 0.000 1.081 47 L HN 0.743 nan 8.230 nan 0.000 0.485 48 L N 0.137 121.381 121.223 0.036 0.000 2.313 48 L HA 0.181 4.521 4.340 -0.000 0.000 0.214 48 L C 1.632 178.522 176.870 0.034 0.000 1.119 48 L CA 0.737 55.609 54.840 0.052 0.000 0.809 48 L CB -0.990 41.127 42.059 0.096 0.000 0.933 48 L HN 0.580 nan 8.230 nan 0.000 0.449 49 G N 0.392 109.199 108.800 0.012 0.000 2.187 49 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.261 49 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.261 49 G C 0.008 174.915 174.900 0.012 0.000 1.000 49 G CA 0.730 45.830 45.100 0.000 0.000 0.718 49 G HN 0.448 nan 8.290 nan 0.000 0.519 50 D N -0.549 119.871 120.400 0.033 0.000 2.323 50 D HA 0.361 5.001 4.640 -0.000 0.000 0.242 50 D C 0.514 176.862 176.300 0.082 0.000 1.347 50 D CA -0.574 53.454 54.000 0.047 0.000 0.988 50 D CB 0.604 41.435 40.800 0.052 0.000 1.314 50 D HN -0.076 nan 8.370 nan 0.000 0.564 51 D N 1.572 122.011 120.400 0.065 0.000 2.264 51 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 51 D C 1.651 178.047 176.300 0.160 0.000 0.966 51 D CA 0.807 54.873 54.000 0.110 0.000 0.864 51 D CB 0.367 41.189 40.800 0.038 0.000 0.933 51 D HN 0.419 nan 8.370 nan 0.000 0.499 52 Q N 0.430 120.296 119.800 0.110 0.000 2.123 52 Q HA -0.025 4.315 4.340 -0.000 0.000 0.199 52 Q C 1.909 177.987 176.000 0.130 0.000 0.966 52 Q CA 1.036 56.906 55.803 0.111 0.000 0.845 52 Q CB -0.236 28.541 28.738 0.066 0.000 0.907 52 Q HN 0.302 nan 8.270 nan 0.000 0.439 53 I N -0.295 120.350 120.570 0.124 0.000 2.252 53 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 53 I C 2.015 178.212 176.117 0.134 0.000 1.102 53 I CA 1.294 62.664 61.300 0.118 0.000 1.385 53 I CB -0.409 37.654 38.000 0.105 0.000 1.064 53 I HN 0.290 nan 8.210 nan 0.000 0.414 54 Y N 2.437 122.777 120.300 0.068 0.000 2.128 54 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 54 Y C 2.397 178.354 175.900 0.095 0.000 1.154 54 Y CA 1.920 60.065 58.100 0.076 0.000 1.149 54 Y CB -0.263 38.237 38.460 0.067 0.000 0.976 54 Y HN 0.193 nan 8.280 nan 0.000 0.505 55 N N -0.070 118.697 118.700 0.110 0.000 2.166 55 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 55 N C 1.902 177.419 175.510 0.011 0.000 1.019 55 N CA 1.652 54.734 53.050 0.053 0.000 0.856 55 N CB -0.688 37.891 38.487 0.153 0.000 0.993 55 N HN 0.326 nan 8.380 nan 0.000 0.426 56 V N 0.462 120.409 119.914 0.056 0.000 2.427 56 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 56 V C 2.355 178.478 176.094 0.048 0.000 1.051 56 V CA 0.974 63.321 62.300 0.079 0.000 1.048 56 V CB -0.401 31.486 31.823 0.108 0.000 0.666 56 V HN 0.069 nan 8.190 nan 0.000 0.456 57 V N -0.347 119.557 119.914 -0.016 0.000 2.295 57 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 57 V C 2.428 178.497 176.094 -0.042 0.000 1.049 57 V CA 1.876 64.159 62.300 -0.029 0.000 1.024 57 V CB -0.299 31.478 31.823 -0.076 0.000 0.648 57 V HN 0.402 nan 8.190 nan 0.000 0.447 58 V N -0.127 119.680 119.914 -0.177 0.000 2.295 58 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 58 V C 2.563 178.677 176.094 0.033 0.000 1.049 58 V CA 2.674 64.920 62.300 -0.089 0.000 1.024 58 V CB -1.018 30.702 31.823 -0.172 0.000 0.648 58 V HN 0.623 nan 8.190 nan 0.000 0.447 59 T N 0.490 115.046 114.554 0.003 0.000 2.674 59 T HA -0.191 4.159 4.350 -0.000 0.000 0.265 59 T C 2.067 176.770 174.700 0.004 0.000 1.039 59 T CA 1.794 63.877 62.100 -0.029 0.000 1.150 59 T CB -0.514 68.374 68.868 0.033 0.000 0.864 59 T HN 0.573 nan 8.240 nan 0.000 0.427 60 A N 1.164 124.078 122.820 0.156 0.000 1.933 60 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 60 A C 2.009 179.721 177.584 0.214 0.000 1.175 60 A CA 2.326 54.523 52.037 0.266 0.000 0.628 60 A CB -0.997 18.155 19.000 0.253 0.000 0.814 60 A HN 0.721 nan 8.150 nan 0.000 0.444 61 H N 0.291 119.401 119.070 0.067 0.000 2.319 61 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 61 H C 2.100 177.422 175.328 -0.009 0.000 1.092 61 H CA 2.318 58.394 56.048 0.046 0.000 1.302 61 H CB -0.403 29.378 29.762 0.030 0.000 1.373 61 H HN 0.364 nan 8.280 nan 0.000 0.497 62 A N 0.030 122.664 122.820 -0.309 0.000 1.877 62 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 62 A C 2.239 179.591 177.584 -0.387 0.000 1.186 62 A CA 1.483 53.184 52.037 -0.561 0.000 0.620 62 A CB -1.097 17.522 19.000 -0.635 0.000 0.822 62 A HN 0.444 nan 8.150 nan 0.000 0.443 63 F N 0.046 119.971 119.950 -0.042 0.000 2.095 63 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 63 F C 2.547 178.319 175.800 -0.048 0.000 1.104 63 F CA 1.139 59.193 58.000 0.089 0.000 1.232 63 F CB -1.013 38.054 39.000 0.112 0.000 0.987 63 F HN 0.022 nan 8.300 nan 0.000 0.475 64 V N -0.351 119.669 119.914 0.176 0.000 2.295 64 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 64 V C 2.516 178.608 176.094 -0.002 0.000 1.049 64 V CA 1.553 63.931 62.300 0.130 0.000 1.024 64 V CB -0.536 31.410 31.823 0.205 0.000 0.648 64 V HN 0.216 nan 8.190 nan 0.000 0.447 65 M N -0.985 118.537 119.600 -0.130 0.000 2.117 65 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 65 M C 2.122 178.287 176.300 -0.225 0.000 1.065 65 M CA 1.917 57.109 55.300 -0.181 0.000 1.114 65 M CB -0.945 31.460 32.600 -0.325 0.000 1.361 65 M HN 0.286 nan 8.290 nan 0.000 0.408 66 I N -1.150 119.211 120.570 -0.350 0.000 2.188 66 I HA -0.242 3.928 4.170 -0.000 0.000 0.237 66 I C 2.037 177.839 176.117 -0.525 0.000 1.073 66 I CA 1.239 62.224 61.300 -0.525 0.000 1.359 66 I CB -0.363 37.143 38.000 -0.823 0.000 1.083 66 I HN 0.051 nan 8.210 nan 0.000 0.412 67 F N -0.468 119.298 119.950 -0.307 0.000 2.416 67 F HA -0.023 4.504 4.527 -0.000 0.000 0.296 67 F C 1.752 177.307 175.800 -0.408 0.000 1.099 67 F CA 0.886 58.618 58.000 -0.447 0.000 1.427 67 F CB -0.163 38.373 39.000 -0.773 0.000 1.079 67 F HN -0.044 nan 8.300 nan 0.000 0.536 68 F N -2.341 117.693 119.950 0.141 0.000 2.717 68 F HA 0.188 4.715 4.527 -0.000 0.000 0.297 68 F C 1.927 177.842 175.800 0.192 0.000 1.113 68 F CA 0.063 58.157 58.000 0.157 0.000 1.319 68 F CB -0.275 38.537 39.000 -0.312 0.000 1.097 68 F HN -0.103 nan 8.300 nan 0.000 0.595 69 M N -0.519 119.209 119.600 0.213 0.000 2.969 69 M HA 0.096 4.576 4.480 -0.000 0.000 0.234 69 M C 2.025 178.411 176.300 0.143 0.000 1.409 69 M CA 1.142 56.548 55.300 0.177 0.000 1.314 69 M CB -0.500 32.158 32.600 0.096 0.000 1.130 69 M HN -0.083 nan 8.290 nan 0.000 0.558 70 V N 1.822 121.760 119.914 0.040 0.000 2.233 70 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 70 V C 2.592 178.713 176.094 0.044 0.000 1.050 70 V CA 2.239 64.551 62.300 0.020 0.000 1.010 70 V CB -0.808 30.966 31.823 -0.080 0.000 0.637 70 V HN 0.505 nan 8.190 nan 0.000 0.444 71 M N -0.541 119.056 119.600 -0.004 0.000 2.080 71 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 71 M C -0.021 176.339 176.300 0.099 0.000 1.068 71 M CA 2.336 57.646 55.300 0.017 0.000 1.109 71 M CB -1.585 31.003 32.600 -0.020 0.000 1.342 71 M HN 0.286 nan 8.290 nan 0.000 0.405 72 P HA -0.104 nan 4.420 nan 0.000 0.216 72 P C 1.397 178.837 177.300 0.233 0.000 1.153 72 P CA 1.286 64.583 63.100 0.328 0.000 0.848 72 P CB -0.095 31.971 31.700 0.609 0.000 0.787 73 I N -1.993 118.725 120.570 0.247 0.000 2.163 73 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 73 I C 2.414 178.692 176.117 0.267 0.000 1.081 73 I CA 1.623 63.059 61.300 0.227 0.000 1.353 73 I CB -0.503 37.650 38.000 0.255 0.000 1.054 73 I HN -0.082 nan 8.210 nan 0.000 0.407 74 M N 0.158 119.927 119.600 0.282 0.000 2.077 74 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 74 M C 2.299 178.735 176.300 0.225 0.000 1.070 74 M CA 2.113 57.612 55.300 0.332 0.000 1.125 74 M CB -0.267 32.444 32.600 0.186 0.000 1.339 74 M HN 0.168 nan 8.290 nan 0.000 0.409 75 I N -1.076 119.517 120.570 0.039 0.000 2.385 75 I HA -0.015 4.155 4.170 -0.000 0.000 0.244 75 I C 2.598 178.641 176.117 -0.122 0.000 1.089 75 I CA 1.121 62.352 61.300 -0.115 0.000 1.410 75 I CB -0.869 37.046 38.000 -0.141 0.000 1.117 75 I HN 0.295 nan 8.210 nan 0.000 0.429 76 G N 0.403 108.994 108.800 -0.348 0.000 2.403 76 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.216 76 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.216 76 G C 1.569 176.157 174.900 -0.520 0.000 1.154 76 G CA 0.817 45.277 45.100 -1.066 0.000 0.784 76 G HN 0.477 nan 8.290 nan 0.000 0.538 77 G N 0.441 109.151 108.800 -0.149 0.000 2.624 77 G HA2 0.072 4.032 3.960 -0.000 0.000 0.216 77 G HA3 0.072 4.032 3.960 -0.000 0.000 0.216 77 G C 1.493 176.382 174.900 -0.019 0.000 1.274 77 G CA 0.341 45.422 45.100 -0.031 0.000 0.856 77 G HN 0.284 nan 8.290 nan 0.000 0.555 78 F N 1.798 121.825 119.950 0.128 0.000 2.171 78 F HA 0.025 4.552 4.527 -0.000 0.000 0.300 78 F C 2.909 178.822 175.800 0.188 0.000 1.090 78 F CA 0.848 58.889 58.000 0.068 0.000 1.293 78 F CB -0.230 38.744 39.000 -0.044 0.000 1.013 78 F HN 0.241 nan 8.300 nan 0.000 0.486 79 G N -0.080 108.964 108.800 0.407 0.000 2.433 79 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 79 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 79 G C 1.374 176.583 174.900 0.515 0.000 1.186 79 G CA 1.187 46.489 45.100 0.335 0.000 0.779 79 G HN 0.322 nan 8.290 nan 0.000 0.543 80 N N -0.676 118.279 118.700 0.425 0.000 2.120 80 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 80 N C 1.894 177.539 175.510 0.225 0.000 1.024 80 N CA 1.144 54.339 53.050 0.242 0.000 0.852 80 N CB -0.180 38.350 38.487 0.072 0.000 1.003 80 N HN 0.565 nan 8.380 nan 0.000 0.424 81 W N 0.954 122.256 121.300 0.002 0.000 2.378 81 W HA -0.003 4.657 4.660 -0.000 0.000 0.313 81 W C 1.700 178.241 176.519 0.036 0.000 1.197 81 W CA 0.776 58.048 57.345 -0.121 0.000 1.304 81 W CB -0.137 28.997 29.460 -0.544 0.000 1.148 81 W HN 0.034 nan 8.180 nan 0.000 0.494 82 L N -1.542 119.869 121.223 0.313 0.000 2.202 82 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 82 L C 2.068 179.060 176.870 0.203 0.000 1.083 82 L CA 0.201 55.135 54.840 0.156 0.000 0.790 82 L CB -1.260 40.681 42.059 -0.196 0.000 0.942 82 L HN -0.203 nan 8.230 nan 0.000 0.452 83 V N 0.879 120.956 119.914 0.272 0.000 2.255 83 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 83 V C -0.117 175.991 176.094 0.024 0.000 1.051 83 V CA 2.231 64.642 62.300 0.185 0.000 1.018 83 V CB -1.476 30.503 31.823 0.261 0.000 0.641 83 V HN 0.314 nan 8.190 nan 0.000 0.445 84 P HA -0.113 nan 4.420 nan 0.000 0.217 84 P C 1.914 179.100 177.300 -0.191 0.000 1.150 84 P CA 1.354 64.277 63.100 -0.296 0.000 0.832 84 P CB -0.052 31.178 31.700 -0.784 0.000 0.787 85 L N -1.907 119.325 121.223 0.015 0.000 2.046 85 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 85 L C 2.443 179.361 176.870 0.080 0.000 1.077 85 L CA 1.542 56.496 54.840 0.189 0.000 0.747 85 L CB -0.853 41.395 42.059 0.315 0.000 0.896 85 L HN -0.009 nan 8.230 nan 0.000 0.432 86 M N -0.166 119.485 119.600 0.085 0.000 2.460 86 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 86 M C 1.777 178.085 176.300 0.014 0.000 1.071 86 M CA 1.424 56.793 55.300 0.115 0.000 1.096 86 M CB -0.064 32.656 32.600 0.199 0.000 1.408 86 M HN 0.368 nan 8.290 nan 0.000 0.463 87 I N -4.509 115.992 120.570 -0.114 0.000 4.025 87 I HA 0.467 4.637 4.170 -0.000 0.000 0.336 87 I C 0.911 176.814 176.117 -0.356 0.000 1.390 87 I CA 0.036 61.231 61.300 -0.174 0.000 1.099 87 I CB -0.060 37.848 38.000 -0.154 0.000 1.049 87 I HN 0.290 nan 8.210 nan 0.000 0.394 88 G N 2.067 110.461 108.800 -0.677 0.000 2.198 88 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 88 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 88 G C 0.301 174.605 174.900 -0.992 0.000 1.025 88 G CA 0.174 44.393 45.100 -1.469 0.000 0.769 88 G HN 0.937 nan 8.290 nan 0.000 0.507 89 A N 0.275 122.738 122.820 -0.595 0.000 2.316 89 A HA 0.823 5.143 4.320 -0.000 0.000 0.284 89 A C -0.064 177.421 177.584 -0.165 0.000 1.115 89 A CA -0.830 51.020 52.037 -0.312 0.000 0.812 89 A CB 1.027 19.860 19.000 -0.279 0.000 1.064 89 A HN 0.128 nan 8.150 nan 0.000 0.489 90 P HA -0.020 nan 4.420 nan 0.000 0.223 90 P C 0.085 177.371 177.300 -0.023 0.000 1.151 90 P CA 1.140 64.266 63.100 0.044 0.000 0.787 90 P CB 0.378 32.096 31.700 0.031 0.000 0.788 91 D N -2.891 117.404 120.400 -0.174 0.000 3.038 91 D HA 0.101 4.741 4.640 -0.000 0.000 0.351 91 D C -0.632 175.480 176.300 -0.313 0.000 1.442 91 D CA -0.507 53.341 54.000 -0.254 0.000 0.802 91 D CB 0.309 41.060 40.800 -0.082 0.000 1.406 91 D HN -0.330 nan 8.370 nan 0.000 0.488 92 M N 1.023 120.450 119.600 -0.288 0.000 2.202 92 M HA 0.329 4.809 4.480 -0.000 0.000 0.316 92 M C 1.330 177.427 176.300 -0.338 0.000 1.138 92 M CA 0.113 55.212 55.300 -0.335 0.000 1.151 92 M CB 0.386 32.783 32.600 -0.338 0.000 1.422 92 M HN 0.611 nan 8.290 nan 0.000 0.471 93 A N 1.302 123.821 122.820 -0.501 0.000 1.933 93 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 93 A C 0.475 177.657 177.584 -0.669 0.000 1.175 93 A CA 1.540 53.145 52.037 -0.720 0.000 0.628 93 A CB -0.267 18.029 19.000 -1.174 0.000 0.814 93 A HN 0.580 nan 8.150 nan 0.000 0.444 94 F N -0.443 119.444 119.950 -0.104 0.000 2.449 94 F HA 0.339 4.866 4.527 -0.000 0.000 0.344 94 F C -1.825 173.930 175.800 -0.076 0.000 1.180 94 F CA -3.014 54.940 58.000 -0.076 0.000 1.209 94 F CB 0.907 39.868 39.000 -0.064 0.000 1.440 94 F HN 0.065 nan 8.300 nan 0.000 0.526 95 P HA -0.187 nan 4.420 nan 0.000 0.221 95 P C 1.642 178.962 177.300 0.033 0.000 1.145 95 P CA 1.269 64.370 63.100 0.001 0.000 0.795 95 P CB 0.446 32.132 31.700 -0.024 0.000 0.775 96 R N -0.590 119.946 120.500 0.061 0.000 2.090 96 R HA 0.138 4.478 4.340 -0.000 0.000 0.219 96 R C 2.491 178.833 176.300 0.070 0.000 1.100 96 R CA 0.540 56.673 56.100 0.055 0.000 0.991 96 R CB -0.635 29.684 30.300 0.032 0.000 0.893 96 R HN 0.011 nan 8.270 nan 0.000 0.443 97 M N 1.027 120.675 119.600 0.080 0.000 2.213 97 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 97 M C 1.867 178.225 176.300 0.097 0.000 1.062 97 M CA 1.791 57.134 55.300 0.072 0.000 1.105 97 M CB -0.324 32.310 32.600 0.056 0.000 1.385 97 M HN 0.309 nan 8.290 nan 0.000 0.417 98 N N 0.073 118.829 118.700 0.094 0.000 2.149 98 N HA -0.252 4.488 4.740 -0.000 0.000 0.188 98 N C 1.454 177.044 175.510 0.133 0.000 1.019 98 N CA 1.582 54.682 53.050 0.084 0.000 0.857 98 N CB -0.132 38.361 38.487 0.010 0.000 0.997 98 N HN 0.396 nan 8.380 nan 0.000 0.426 99 N N 0.769 119.546 118.700 0.128 0.000 2.244 99 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 99 N C 1.749 177.419 175.510 0.266 0.000 1.016 99 N CA 0.825 53.991 53.050 0.194 0.000 0.866 99 N CB -0.143 38.481 38.487 0.227 0.000 0.980 99 N HN 0.320 nan 8.380 nan 0.000 0.430 100 M N -0.696 119.023 119.600 0.198 0.000 2.254 100 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 100 M C 1.737 178.110 176.300 0.122 0.000 1.066 100 M CA 0.978 56.386 55.300 0.179 0.000 1.123 100 M CB 0.007 32.671 32.600 0.107 0.000 1.388 100 M HN 0.032 nan 8.290 nan 0.000 0.425 101 S N 0.339 116.115 115.700 0.127 0.000 2.383 101 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 101 S C 1.456 176.084 174.600 0.046 0.000 1.030 101 S CA 1.507 59.791 58.200 0.139 0.000 1.002 101 S CB -0.498 62.842 63.200 0.233 0.000 0.829 101 S HN 0.622 nan 8.310 nan 0.000 0.467 102 F N 0.685 120.524 119.950 -0.185 0.000 2.098 102 F HA -0.020 4.507 4.527 -0.000 0.000 0.294 102 F C 1.669 177.106 175.800 -0.604 0.000 1.107 102 F CA 1.077 58.643 58.000 -0.722 0.000 1.234 102 F CB -0.665 37.698 39.000 -1.061 0.000 1.002 102 F HN 0.221 nan 8.300 nan 0.000 0.472 103 W N 0.583 121.673 121.300 -0.350 0.000 2.538 103 W HA -0.080 4.580 4.660 -0.000 0.000 0.254 103 W C 1.982 178.312 176.519 -0.316 0.000 1.249 103 W CA 0.401 57.541 57.345 -0.342 0.000 1.253 103 W CB -0.366 29.071 29.460 -0.038 0.000 1.130 103 W HN 0.075 nan 8.180 nan 0.000 0.618 104 L N -0.396 120.765 121.223 -0.105 0.000 2.313 104 L HA -0.128 4.212 4.340 -0.000 0.000 0.214 104 L C 2.120 178.917 176.870 -0.120 0.000 1.119 104 L CA 0.570 55.380 54.840 -0.050 0.000 0.809 104 L CB -0.416 41.643 42.059 -0.000 0.000 0.933 104 L HN 0.073 nan 8.230 nan 0.000 0.449 105 L N -0.227 120.767 121.223 -0.381 0.000 2.027 105 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 105 L C -0.180 176.553 176.870 -0.229 0.000 1.074 105 L CA 1.272 55.866 54.840 -0.410 0.000 0.745 105 L CB -1.739 39.736 42.059 -0.974 0.000 0.898 105 L HN 0.190 nan 8.230 nan 0.000 0.433 106 P HA -0.103 nan 4.420 nan 0.000 0.215 106 P C -1.352 176.011 177.300 0.106 0.000 1.153 106 P CA 1.551 64.725 63.100 0.123 0.000 0.853 106 P CB -0.879 30.897 31.700 0.125 0.000 0.788 107 P HA -0.135 nan 4.420 nan 0.000 0.216 107 P C 1.907 179.267 177.300 0.101 0.000 1.153 107 P CA 1.676 64.819 63.100 0.071 0.000 0.848 107 P CB -0.454 31.278 31.700 0.053 0.000 0.787 108 S N -1.695 114.076 115.700 0.118 0.000 2.370 108 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 108 S C 1.817 176.552 174.600 0.225 0.000 1.033 108 S CA 1.071 59.392 58.200 0.202 0.000 1.011 108 S CB -1.123 62.261 63.200 0.306 0.000 0.852 108 S HN 0.054 nan 8.310 nan 0.000 0.457 109 F N 0.733 120.553 119.950 -0.216 0.000 2.146 109 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 109 F C 2.053 177.795 175.800 -0.096 0.000 1.096 109 F CA 0.828 58.538 58.000 -0.484 0.000 1.275 109 F CB -0.097 38.547 39.000 -0.593 0.000 1.008 109 F HN 0.303 nan 8.300 nan 0.000 0.480 110 L N 0.810 122.126 121.223 0.156 0.000 2.046 110 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 110 L C 1.911 178.857 176.870 0.127 0.000 1.077 110 L CA 1.713 56.604 54.840 0.084 0.000 0.747 110 L CB -0.824 41.265 42.059 0.049 0.000 0.896 110 L HN 0.150 nan 8.230 nan 0.000 0.432 111 L N -1.333 119.980 121.223 0.150 0.000 2.083 111 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 111 L C 2.477 179.451 176.870 0.175 0.000 1.083 111 L CA 1.174 56.106 54.840 0.153 0.000 0.752 111 L CB -0.493 41.664 42.059 0.163 0.000 0.899 111 L HN 0.359 nan 8.230 nan 0.000 0.433 112 L N -0.479 120.887 121.223 0.239 0.000 2.056 112 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 112 L C 2.352 179.379 176.870 0.262 0.000 1.078 112 L CA 1.378 56.380 54.840 0.270 0.000 0.749 112 L CB -0.091 42.227 42.059 0.431 0.000 0.901 112 L HN 0.117 nan 8.230 nan 0.000 0.433 113 L N -0.626 120.753 121.223 0.261 0.000 2.141 113 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 113 L C 2.735 179.685 176.870 0.132 0.000 1.094 113 L CA 0.943 55.891 54.840 0.180 0.000 0.763 113 L CB -0.918 41.201 42.059 0.099 0.000 0.908 113 L HN 0.353 nan 8.230 nan 0.000 0.437 114 A N 0.318 123.211 122.820 0.122 0.000 1.933 114 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 114 A C 2.554 180.203 177.584 0.109 0.000 1.175 114 A CA 1.954 54.052 52.037 0.101 0.000 0.628 114 A CB -0.665 18.392 19.000 0.097 0.000 0.814 114 A HN 0.513 nan 8.150 nan 0.000 0.444 115 S N 0.425 116.199 115.700 0.124 0.000 2.399 115 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 115 S C 1.991 176.665 174.600 0.122 0.000 1.022 115 S CA 1.788 60.059 58.200 0.119 0.000 0.983 115 S CB -0.750 62.519 63.200 0.115 0.000 0.803 115 S HN 0.937 nan 8.310 nan 0.000 0.480 116 S N 0.366 116.145 115.700 0.132 0.000 2.496 116 S HA 0.218 4.688 4.470 -0.000 0.000 0.224 116 S C 1.812 176.473 174.600 0.101 0.000 0.996 116 S CA 0.207 58.482 58.200 0.126 0.000 0.927 116 S CB -0.312 62.973 63.200 0.141 0.000 0.774 116 S HN 0.360 nan 8.310 nan 0.000 0.524 117 M N 2.057 121.712 119.600 0.092 0.000 2.357 117 M HA 0.259 4.739 4.480 -0.000 0.000 0.266 117 M C 1.103 177.444 176.300 0.068 0.000 1.095 117 M CA 0.504 55.849 55.300 0.074 0.000 1.156 117 M CB -0.682 31.958 32.600 0.067 0.000 1.365 117 M HN 0.409 nan 8.290 nan 0.000 0.447 118 V N -0.629 119.329 119.914 0.074 0.000 2.904 118 V HA 0.317 4.437 4.120 -0.000 0.000 0.305 118 V C 0.847 176.982 176.094 0.070 0.000 1.067 118 V CA -0.969 61.372 62.300 0.067 0.000 1.044 118 V CB 0.938 32.803 31.823 0.070 0.000 1.050 118 V HN 0.565 nan 8.190 nan 0.000 0.475 119 E N 2.324 122.560 120.200 0.059 0.000 3.401 119 E HA -0.342 4.008 4.350 -0.000 0.000 0.352 119 E C 0.889 177.522 176.600 0.056 0.000 1.523 119 E CA 2.075 58.508 56.400 0.054 0.000 1.794 119 E CB -1.640 28.097 29.700 0.062 0.000 1.792 119 E HN 1.565 nan 8.360 nan 0.000 0.471 120 A N 1.458 124.314 122.820 0.060 0.000 2.574 120 A HA 0.519 4.839 4.320 -0.000 0.000 0.283 120 A C 0.853 178.498 177.584 0.101 0.000 1.270 120 A CA 1.414 53.488 52.037 0.061 0.000 0.945 120 A CB -0.070 18.946 19.000 0.027 0.000 1.127 120 A HN 1.382 nan 8.150 nan 0.000 0.522 121 G N -0.984 107.888 108.800 0.119 0.000 2.860 121 G HA2 0.289 4.249 3.960 -0.000 0.000 0.553 121 G HA3 0.289 4.249 3.960 -0.000 0.000 0.553 121 G C 0.115 175.139 174.900 0.207 0.000 1.439 121 G CA -0.303 44.884 45.100 0.146 0.000 0.879 121 G HN 1.769 nan 8.290 nan 0.000 0.545 122 A N 0.393 123.316 122.820 0.172 0.000 2.444 122 A HA 0.725 5.045 4.320 -0.000 0.000 0.332 122 A C 0.899 178.539 177.584 0.094 0.000 1.430 122 A CA 0.788 52.888 52.037 0.104 0.000 0.975 122 A CB 0.303 19.325 19.000 0.036 0.000 1.147 122 A HN 2.294 nan 8.150 nan 0.000 0.524 123 G N 1.641 110.580 108.800 0.231 0.000 3.714 123 G HA2 0.368 4.328 3.960 -0.000 0.000 0.276 123 G HA3 0.368 4.328 3.960 -0.000 0.000 0.276 123 G C 0.726 175.664 174.900 0.063 0.000 1.058 123 G CA 0.507 45.710 45.100 0.172 0.000 1.700 123 G HN 0.787 nan 8.290 nan 0.000 0.605 124 T N -2.394 112.108 114.554 -0.088 0.000 2.971 124 T HA 0.495 4.845 4.350 -0.000 0.000 0.252 124 T C 1.158 175.772 174.700 -0.142 0.000 1.022 124 T CA 0.533 62.536 62.100 -0.161 0.000 0.980 124 T CB 0.606 69.313 68.868 -0.269 0.000 1.044 124 T HN 1.615 nan 8.240 nan 0.000 0.501 125 G N 1.627 110.367 108.800 -0.101 0.000 2.692 125 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 125 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 125 G C 0.216 174.985 174.900 -0.218 0.000 1.243 125 G CA -0.252 44.772 45.100 -0.126 0.000 0.782 125 G HN 0.613 nan 8.290 nan 0.000 0.625 126 W N 0.874 121.896 121.300 -0.464 0.000 2.611 126 W HA -0.030 4.630 4.660 -0.000 0.000 0.251 126 W C 1.493 177.767 176.519 -0.408 0.000 1.265 126 W CA 1.907 58.792 57.345 -0.766 0.000 1.295 126 W CB -1.526 27.376 29.460 -0.930 0.000 1.129 126 W HN 1.035 nan 8.180 nan 0.000 0.630 127 T N -0.909 112.961 114.554 -1.141 0.000 3.055 127 T HA 0.007 4.357 4.350 -0.000 0.000 0.265 127 T C 1.235 175.334 174.700 -1.002 0.000 1.111 127 T CA 0.879 61.950 62.100 -1.714 0.000 1.118 127 T CB -0.855 67.006 68.868 -1.678 0.000 0.909 127 T HN 0.126 nan 8.240 nan 0.000 0.501 128 V N 0.744 120.341 119.914 -0.528 0.000 5.175 128 V HA -0.238 3.882 4.120 -0.000 0.000 0.279 128 V C 0.239 176.070 176.094 -0.437 0.000 0.571 128 V CA 0.379 62.489 62.300 -0.318 0.000 0.694 128 V CB -2.883 28.866 31.823 -0.124 0.000 0.525 128 V HN 0.709 nan 8.190 nan 0.000 1.093 129 Y N 1.829 121.799 120.300 -0.550 0.000 2.620 129 Y HA 0.227 4.777 4.550 -0.000 0.000 0.330 129 Y C -0.909 174.686 175.900 -0.508 0.000 1.186 129 Y CA -1.702 56.030 58.100 -0.614 0.000 1.467 129 Y CB 0.940 39.220 38.460 -0.300 0.000 1.262 129 Y HN 0.275 nan 8.280 nan 0.000 0.550 130 P HA 0.185 nan 4.420 nan 0.000 0.281 130 P C -2.444 174.794 177.300 -0.104 0.000 1.264 130 P CA -2.056 60.903 63.100 -0.234 0.000 0.824 130 P CB 1.359 32.923 31.700 -0.227 0.000 1.092 131 P HA 0.026 nan 4.420 nan 0.000 0.236 131 P C 1.542 178.861 177.300 0.032 0.000 1.177 131 P CA 0.133 63.245 63.100 0.019 0.000 0.773 131 P CB -0.087 31.640 31.700 0.044 0.000 0.878 132 L N 0.473 121.717 121.223 0.035 0.000 2.081 132 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 132 L C 1.953 178.876 176.870 0.089 0.000 1.080 132 L CA 2.067 56.961 54.840 0.090 0.000 0.754 132 L CB -1.298 40.808 42.059 0.079 0.000 0.893 132 L HN -0.056 nan 8.230 nan 0.000 0.433 133 A N -0.961 121.821 122.820 -0.064 0.000 2.251 133 A HA 0.405 4.725 4.320 -0.000 0.000 0.209 133 A C 1.382 178.943 177.584 -0.038 0.000 1.187 133 A CA 0.348 52.300 52.037 -0.142 0.000 0.823 133 A CB -1.231 17.620 19.000 -0.248 0.000 0.846 133 A HN 0.469 nan 8.150 nan 0.000 0.486 134 G N 0.138 108.948 108.800 0.017 0.000 2.651 134 G HA2 0.247 4.207 3.960 -0.000 0.000 0.260 134 G HA3 0.247 4.207 3.960 -0.000 0.000 0.260 134 G C 0.576 175.520 174.900 0.074 0.000 1.216 134 G CA 0.134 45.263 45.100 0.049 0.000 0.913 134 G HN 0.477 nan 8.290 nan 0.000 0.535 135 N N -0.618 118.120 118.700 0.063 0.000 2.571 135 N HA -0.049 4.691 4.740 -0.000 0.000 0.189 135 N C 1.369 176.911 175.510 0.053 0.000 1.154 135 N CA 0.466 53.553 53.050 0.060 0.000 0.907 135 N CB 0.138 38.655 38.487 0.049 0.000 0.977 135 N HN 0.302 nan 8.380 nan 0.000 0.449 136 L N -0.561 120.694 121.223 0.052 0.000 2.349 136 L HA 0.495 4.835 4.340 -0.000 0.000 0.200 136 L C 1.992 178.881 176.870 0.032 0.000 1.064 136 L CA 1.036 55.898 54.840 0.038 0.000 0.821 136 L CB -0.933 41.147 42.059 0.035 0.000 1.027 136 L HN 0.113 nan 8.230 nan 0.000 0.476 137 A N -1.894 120.959 122.820 0.054 0.000 2.123 137 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 137 A C 0.275 177.860 177.584 0.002 0.000 1.152 137 A CA 0.759 52.822 52.037 0.044 0.000 0.728 137 A CB -0.664 18.393 19.000 0.094 0.000 0.814 137 A HN 0.639 nan 8.150 nan 0.000 0.464 138 H N -1.081 117.998 119.070 0.015 0.000 2.597 138 H HA 0.518 5.074 4.556 -0.000 0.000 0.225 138 H C 0.046 175.384 175.328 0.018 0.000 1.422 138 H CA -0.089 55.969 56.048 0.017 0.000 1.335 138 H CB 0.428 30.196 29.762 0.010 0.000 1.783 138 H HN 0.406 nan 8.280 nan 0.000 0.513 139 A N 1.034 123.888 122.820 0.057 0.000 2.445 139 A HA 0.602 4.922 4.320 -0.000 0.000 0.242 139 A C 1.026 178.644 177.584 0.057 0.000 1.075 139 A CA 0.778 52.846 52.037 0.050 0.000 0.777 139 A CB -0.132 18.883 19.000 0.025 0.000 1.013 139 A HN 0.882 nan 8.150 nan 0.000 0.493 140 G N -0.807 108.028 108.800 0.059 0.000 2.525 140 G HA2 0.366 4.326 3.960 -0.000 0.000 0.685 140 G HA3 0.366 4.326 3.960 -0.000 0.000 0.685 140 G C 0.652 175.597 174.900 0.074 0.000 1.290 140 G CA 0.116 45.253 45.100 0.062 0.000 0.915 140 G HN 1.957 nan 8.290 nan 0.000 0.548 141 A N -0.296 122.570 122.820 0.077 0.000 2.066 141 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 141 A C 2.685 180.321 177.584 0.086 0.000 1.157 141 A CA 2.540 54.629 52.037 0.086 0.000 0.670 141 A CB -0.625 18.431 19.000 0.093 0.000 0.804 141 A HN 1.571 nan 8.150 nan 0.000 0.453 142 S N -0.207 115.549 115.700 0.094 0.000 2.369 142 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 142 S C 1.864 176.501 174.600 0.061 0.000 1.043 142 S CA 1.790 60.049 58.200 0.099 0.000 1.074 142 S CB -0.588 62.694 63.200 0.137 0.000 0.962 142 S HN 0.376 nan 8.310 nan 0.000 0.433 143 V N 2.423 122.361 119.914 0.039 0.000 2.490 143 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 143 V C 1.950 177.988 176.094 -0.094 0.000 1.061 143 V CA 1.649 63.926 62.300 -0.038 0.000 1.064 143 V CB -0.677 31.108 31.823 -0.064 0.000 0.670 143 V HN 0.423 nan 8.190 nan 0.000 0.461 144 D N -0.006 120.347 120.400 -0.077 0.000 2.144 144 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 144 D C 2.128 178.310 176.300 -0.197 0.000 0.978 144 D CA 1.034 54.910 54.000 -0.207 0.000 0.833 144 D CB -0.025 40.720 40.800 -0.092 0.000 0.961 144 D HN 0.357 nan 8.370 nan 0.000 0.470 145 L N 0.678 121.921 121.223 0.033 0.000 2.093 145 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 145 L C 2.494 179.391 176.870 0.045 0.000 1.085 145 L CA 0.966 55.894 54.840 0.147 0.000 0.755 145 L CB -0.458 41.688 42.059 0.146 0.000 0.904 145 L HN -0.015 nan 8.230 nan 0.000 0.435 146 T N 0.061 114.587 114.554 -0.047 0.000 2.777 146 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 146 T C 1.919 176.454 174.700 -0.275 0.000 1.040 146 T CA 1.230 63.241 62.100 -0.147 0.000 1.141 146 T CB -0.150 68.652 68.868 -0.111 0.000 0.868 146 T HN 0.178 nan 8.240 nan 0.000 0.444 147 I N 0.286 120.671 120.570 -0.309 0.000 2.179 147 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 147 I C 1.994 177.859 176.117 -0.420 0.000 1.088 147 I CA 1.352 62.385 61.300 -0.445 0.000 1.357 147 I CB -0.350 37.340 38.000 -0.516 0.000 1.051 147 I HN 0.153 nan 8.210 nan 0.000 0.409 148 F N 0.314 120.212 119.950 -0.087 0.000 2.186 148 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 148 F C 2.927 178.720 175.800 -0.012 0.000 1.090 148 F CA 1.389 59.414 58.000 0.041 0.000 1.307 148 F CB -1.208 37.835 39.000 0.073 0.000 1.019 148 F HN 0.026 nan 8.300 nan 0.000 0.489 149 S N 0.207 115.962 115.700 0.091 0.000 2.356 149 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 149 S C 2.184 176.721 174.600 -0.106 0.000 1.032 149 S CA 1.140 59.364 58.200 0.040 0.000 1.005 149 S CB -0.430 62.774 63.200 0.006 0.000 0.867 149 S HN 0.346 nan 8.310 nan 0.000 0.449 150 L N 0.145 121.170 121.223 -0.330 0.000 2.093 150 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 150 L C 2.442 179.155 176.870 -0.262 0.000 1.085 150 L CA 1.618 56.160 54.840 -0.496 0.000 0.755 150 L CB -0.659 41.017 42.059 -0.640 0.000 0.904 150 L HN 0.476 nan 8.230 nan 0.000 0.435 151 H N -0.456 118.550 119.070 -0.106 0.000 2.321 151 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 151 H C 2.344 177.665 175.328 -0.011 0.000 1.087 151 H CA 1.256 57.285 56.048 -0.031 0.000 1.319 151 H CB 0.130 29.943 29.762 0.085 0.000 1.379 151 H HN 0.193 nan 8.280 nan 0.000 0.501 152 L N -0.079 121.235 121.223 0.152 0.000 2.017 152 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 152 L C 2.836 179.754 176.870 0.080 0.000 1.073 152 L CA 0.957 55.857 54.840 0.101 0.000 0.745 152 L CB -0.659 41.461 42.059 0.102 0.000 0.894 152 L HN 0.348 nan 8.230 nan 0.000 0.432 153 A N 0.432 123.287 122.820 0.059 0.000 1.972 153 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 153 A C 2.390 180.017 177.584 0.071 0.000 1.169 153 A CA 1.625 53.707 52.037 0.074 0.000 0.635 153 A CB -1.031 17.953 19.000 -0.027 0.000 0.810 153 A HN 0.452 nan 8.150 nan 0.000 0.446 154 G N -0.587 108.223 108.800 0.016 0.000 2.404 154 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.215 154 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.215 154 G C 1.501 176.441 174.900 0.067 0.000 1.174 154 G CA 1.143 46.263 45.100 0.032 0.000 0.780 154 G HN 0.292 nan 8.290 nan 0.000 0.537 155 V N 0.957 120.911 119.914 0.066 0.000 2.343 155 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 155 V C 3.058 179.197 176.094 0.076 0.000 1.051 155 V CA 2.238 64.574 62.300 0.060 0.000 1.036 155 V CB -0.430 31.419 31.823 0.044 0.000 0.654 155 V HN 0.501 nan 8.190 nan 0.000 0.451 156 S N -0.323 115.428 115.700 0.086 0.000 2.359 156 S HA -0.246 4.224 4.470 -0.000 0.000 0.223 156 S C 2.213 176.898 174.600 0.142 0.000 1.039 156 S CA 2.391 60.655 58.200 0.107 0.000 1.042 156 S CB -0.346 62.915 63.200 0.102 0.000 0.915 156 S HN 0.590 nan 8.310 nan 0.000 0.439 157 S N 0.739 116.527 115.700 0.146 0.000 2.387 157 S HA 0.129 4.599 4.470 -0.000 0.000 0.226 157 S C 1.745 176.432 174.600 0.145 0.000 1.026 157 S CA 1.126 59.420 58.200 0.158 0.000 0.972 157 S CB -0.369 62.931 63.200 0.166 0.000 0.814 157 S HN 0.528 nan 8.310 nan 0.000 0.477 158 I N 1.304 121.947 120.570 0.122 0.000 2.252 158 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 158 I C 1.899 178.081 176.117 0.108 0.000 1.102 158 I CA 1.051 62.417 61.300 0.110 0.000 1.385 158 I CB -0.269 37.781 38.000 0.084 0.000 1.064 158 I HN 0.236 nan 8.210 nan 0.000 0.414 159 L N 0.152 121.434 121.223 0.099 0.000 2.141 159 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 159 L C 2.621 179.568 176.870 0.128 0.000 1.094 159 L CA 1.345 56.241 54.840 0.093 0.000 0.763 159 L CB -1.102 41.000 42.059 0.071 0.000 0.908 159 L HN 0.319 nan 8.230 nan 0.000 0.437 160 G N -0.294 108.600 108.800 0.155 0.000 2.408 160 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 160 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 160 G C 1.796 176.855 174.900 0.265 0.000 1.150 160 G CA 0.746 45.963 45.100 0.194 0.000 0.776 160 G HN 0.443 nan 8.290 nan 0.000 0.542 161 A N 0.840 123.796 122.820 0.227 0.000 1.902 161 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 161 A C 2.380 180.078 177.584 0.190 0.000 1.181 161 A CA 1.194 53.361 52.037 0.217 0.000 0.623 161 A CB -0.347 18.747 19.000 0.157 0.000 0.818 161 A HN 0.367 nan 8.150 nan 0.000 0.443 162 I N -0.165 120.503 120.570 0.163 0.000 2.226 162 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 162 I C 2.475 178.715 176.117 0.206 0.000 1.100 162 I CA 1.318 62.720 61.300 0.171 0.000 1.374 162 I CB -0.428 37.663 38.000 0.152 0.000 1.057 162 I HN 0.358 nan 8.210 nan 0.000 0.413 163 N N 1.058 119.864 118.700 0.176 0.000 2.084 163 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 163 N C 1.906 177.319 175.510 -0.162 0.000 1.030 163 N CA 1.730 54.791 53.050 0.020 0.000 0.849 163 N CB -0.270 38.174 38.487 -0.071 0.000 1.012 163 N HN 0.218 nan 8.380 nan 0.000 0.423 164 F N 1.051 120.984 119.950 -0.027 0.000 2.146 164 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 164 F C 2.345 178.088 175.800 -0.094 0.000 1.096 164 F CA 0.639 58.592 58.000 -0.077 0.000 1.275 164 F CB -0.159 38.800 39.000 -0.068 0.000 1.008 164 F HN 0.011 nan 8.300 nan 0.000 0.480 165 I N -0.592 120.058 120.570 0.134 0.000 2.179 165 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 165 I C 2.272 178.376 176.117 -0.020 0.000 1.088 165 I CA 1.624 62.952 61.300 0.047 0.000 1.357 165 I CB -0.871 37.167 38.000 0.063 0.000 1.051 165 I HN 0.111 nan 8.210 nan 0.000 0.409 166 T N -0.012 114.522 114.554 -0.032 0.000 2.708 166 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 166 T C 1.917 176.497 174.700 -0.199 0.000 1.037 166 T CA 2.058 64.093 62.100 -0.107 0.000 1.146 166 T CB -0.447 68.331 68.868 -0.150 0.000 0.865 166 T HN 0.367 nan 8.240 nan 0.000 0.435 167 T N 2.191 116.597 114.554 -0.245 0.000 2.684 167 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 167 T C 1.991 176.583 174.700 -0.180 0.000 1.036 167 T CA 1.073 63.021 62.100 -0.253 0.000 1.148 167 T CB -0.453 68.249 68.868 -0.277 0.000 0.863 167 T HN 0.323 nan 8.240 nan 0.000 0.436 168 I N 0.520 121.012 120.570 -0.130 0.000 2.394 168 I HA -0.115 4.055 4.170 -0.000 0.000 0.251 168 I C 2.072 178.076 176.117 -0.189 0.000 1.136 168 I CA 0.794 62.001 61.300 -0.155 0.000 1.425 168 I CB -0.258 37.652 38.000 -0.150 0.000 1.079 168 I HN 0.204 nan 8.210 nan 0.000 0.425 169 I N 0.414 120.889 120.570 -0.160 0.000 2.277 169 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 169 I C 2.053 178.090 176.117 -0.133 0.000 1.094 169 I CA 1.540 62.751 61.300 -0.148 0.000 1.393 169 I CB -1.245 36.694 38.000 -0.102 0.000 1.078 169 I HN 0.266 nan 8.210 nan 0.000 0.417 170 N N 0.220 118.840 118.700 -0.133 0.000 2.392 170 N HA 0.072 4.812 4.740 -0.000 0.000 0.177 170 N C 1.105 176.534 175.510 -0.135 0.000 1.066 170 N CA 0.451 53.427 53.050 -0.124 0.000 0.895 170 N CB 0.212 38.625 38.487 -0.124 0.000 0.988 170 N HN 0.177 nan 8.380 nan 0.000 0.457 171 M N -0.043 119.462 119.600 -0.159 0.000 2.685 171 M HA 0.222 4.702 4.480 -0.000 0.000 0.355 171 M C -0.461 175.742 176.300 -0.162 0.000 1.197 171 M CA -0.202 55.001 55.300 -0.162 0.000 0.947 171 M CB 0.724 33.209 32.600 -0.192 0.000 1.346 171 M HN -0.162 nan 8.290 nan 0.000 0.516 172 K N 1.093 121.404 120.400 -0.148 0.000 2.090 172 K HA 0.461 4.781 4.320 -0.000 0.000 0.250 172 K C -2.440 174.087 176.600 -0.122 0.000 1.004 172 K CA -1.706 54.495 56.287 -0.144 0.000 0.919 172 K CB 0.079 32.498 32.500 -0.136 0.000 1.045 172 K HN -0.145 nan 8.250 nan 0.000 0.471 173 P HA 0.005 nan 4.420 nan 0.000 0.266 173 P C -2.116 175.133 177.300 -0.085 0.000 1.195 173 P CA -0.903 62.141 63.100 -0.094 0.000 0.768 173 P CB 0.155 31.806 31.700 -0.081 0.000 0.838 174 P HA -0.237 nan 4.420 nan 0.000 0.217 174 P C 0.956 178.215 177.300 -0.068 0.000 1.148 174 P CA 1.875 64.931 63.100 -0.073 0.000 0.834 174 P CB -0.185 31.471 31.700 -0.074 0.000 0.783 175 A N -1.879 120.895 122.820 -0.076 0.000 2.178 175 A HA 0.081 4.401 4.320 -0.000 0.000 0.211 175 A C 1.252 178.813 177.584 -0.039 0.000 1.157 175 A CA 0.020 52.020 52.037 -0.061 0.000 0.780 175 A CB -0.849 18.102 19.000 -0.082 0.000 0.828 175 A HN 0.162 nan 8.150 nan 0.000 0.476 176 M N 2.250 121.823 119.600 -0.046 0.000 2.143 176 M HA 0.257 4.737 4.480 -0.000 0.000 0.348 176 M C 0.431 176.708 176.300 -0.039 0.000 1.375 176 M CA -0.207 55.073 55.300 -0.033 0.000 1.124 176 M CB 0.577 33.150 32.600 -0.045 0.000 1.669 176 M HN 0.422 nan 8.290 nan 0.000 0.469 177 S N 3.432 119.128 115.700 -0.007 0.000 2.681 177 S HA 0.158 4.628 4.470 -0.000 0.000 0.270 177 S C 0.614 175.162 174.600 -0.086 0.000 1.209 177 S CA -0.508 57.677 58.200 -0.024 0.000 0.988 177 S CB 1.344 64.585 63.200 0.068 0.000 1.006 177 S HN 0.817 nan 8.310 nan 0.000 0.558 178 Q N -0.432 119.223 119.800 -0.242 0.000 2.291 178 Q HA 0.036 4.376 4.340 -0.000 0.000 0.206 178 Q C 0.447 176.395 176.000 -0.087 0.000 0.976 178 Q CA 1.555 57.130 55.803 -0.380 0.000 0.875 178 Q CB -0.552 27.838 28.738 -0.580 0.000 0.927 178 Q HN 0.842 nan 8.270 nan 0.000 0.450 179 Y N -0.869 119.657 120.300 0.376 0.000 2.470 179 Y HA 0.190 4.740 4.550 -0.000 0.000 0.302 179 Y C 0.756 176.836 175.900 0.301 0.000 1.194 179 Y CA 0.192 58.604 58.100 0.519 0.000 1.271 179 Y CB 0.209 38.887 38.460 0.363 0.000 1.092 179 Y HN 0.097 nan 8.280 nan 0.000 0.513 180 Q N -0.483 119.475 119.800 0.264 0.000 2.118 180 Q HA 0.121 4.461 4.340 -0.000 0.000 0.219 180 Q C 0.291 176.368 176.000 0.129 0.000 0.794 180 Q CA -0.155 55.710 55.803 0.103 0.000 1.035 180 Q CB 0.897 29.666 28.738 0.052 0.000 1.177 180 Q HN 0.283 nan 8.270 nan 0.000 0.478 181 T N -2.137 112.557 114.554 0.233 0.000 2.907 181 T HA 0.599 4.949 4.350 -0.000 0.000 0.284 181 T C -2.558 172.396 174.700 0.423 0.000 1.004 181 T CA -2.236 59.970 62.100 0.177 0.000 1.063 181 T CB 1.486 70.308 68.868 -0.078 0.000 0.992 181 T HN -0.229 nan 8.240 nan 0.000 0.483 182 P HA 0.182 nan 4.420 nan 0.000 0.269 182 P C 1.040 178.738 177.300 0.664 0.000 1.215 182 P CA -0.472 62.949 63.100 0.535 0.000 0.780 182 P CB 0.422 32.462 31.700 0.566 0.000 0.898 183 L N 0.623 122.263 121.223 0.695 0.000 2.187 183 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 183 L C 2.098 179.306 176.870 0.563 0.000 1.100 183 L CA 1.319 56.509 54.840 0.584 0.000 0.765 183 L CB -0.609 41.705 42.059 0.425 0.000 0.904 183 L HN 0.389 nan 8.230 nan 0.000 0.437 184 F N 0.299 120.550 119.950 0.502 0.000 2.146 184 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 184 F C 2.217 178.087 175.800 0.117 0.000 1.096 184 F CA 1.295 59.379 58.000 0.139 0.000 1.275 184 F CB -0.271 38.573 39.000 -0.261 0.000 1.008 184 F HN -0.253 nan 8.300 nan 0.000 0.480 185 V N -0.946 119.009 119.914 0.068 0.000 2.343 185 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 185 V C 2.123 178.149 176.094 -0.113 0.000 1.051 185 V CA 2.055 64.296 62.300 -0.098 0.000 1.036 185 V CB -1.111 30.707 31.823 -0.009 0.000 0.654 185 V HN 0.492 nan 8.190 nan 0.000 0.451 186 W N 0.826 122.113 121.300 -0.023 0.000 2.358 186 W HA -0.229 4.431 4.660 -0.000 0.000 0.303 186 W C 3.047 179.517 176.519 -0.082 0.000 1.208 186 W CA 1.965 59.293 57.345 -0.027 0.000 1.274 186 W CB -0.445 29.025 29.460 0.016 0.000 1.138 186 W HN 0.365 nan 8.180 nan 0.000 0.515 187 S N -0.378 115.407 115.700 0.140 0.000 2.382 187 S HA -0.190 4.280 4.470 -0.000 0.000 0.228 187 S C 1.702 176.197 174.600 -0.175 0.000 1.027 187 S CA 1.654 59.862 58.200 0.013 0.000 0.991 187 S CB -1.003 62.219 63.200 0.036 0.000 0.823 187 S HN 0.060 nan 8.310 nan 0.000 0.469 188 V N 1.909 121.574 119.914 -0.415 0.000 2.379 188 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 188 V C 2.616 178.536 176.094 -0.290 0.000 1.044 188 V CA 2.059 64.050 62.300 -0.515 0.000 1.036 188 V CB -0.763 30.565 31.823 -0.826 0.000 0.664 188 V HN 0.624 nan 8.190 nan 0.000 0.453 189 M N -0.211 119.287 119.600 -0.169 0.000 2.086 189 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 189 M C 2.059 178.369 176.300 0.016 0.000 1.067 189 M CA 2.100 57.359 55.300 -0.067 0.000 1.116 189 M CB -0.279 32.265 32.600 -0.093 0.000 1.348 189 M HN 0.232 nan 8.290 nan 0.000 0.407 190 I N -0.295 120.320 120.570 0.075 0.000 2.226 190 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 190 I C 2.140 178.299 176.117 0.071 0.000 1.100 190 I CA 1.586 62.956 61.300 0.116 0.000 1.374 190 I CB -0.750 37.344 38.000 0.156 0.000 1.057 190 I HN 0.365 nan 8.210 nan 0.000 0.413 191 T N 0.705 115.261 114.554 0.004 0.000 2.746 191 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 191 T C 2.066 176.767 174.700 0.002 0.000 1.039 191 T CA 1.513 63.599 62.100 -0.024 0.000 1.142 191 T CB -0.317 68.487 68.868 -0.107 0.000 0.866 191 T HN 0.491 nan 8.240 nan 0.000 0.444 192 A N 0.854 123.668 122.820 -0.011 0.000 1.933 192 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 192 A C 2.577 180.220 177.584 0.098 0.000 1.175 192 A CA 1.303 53.370 52.037 0.050 0.000 0.628 192 A CB -0.974 18.069 19.000 0.071 0.000 0.814 192 A HN 0.361 nan 8.150 nan 0.000 0.444 193 V N 0.407 120.383 119.914 0.104 0.000 2.343 193 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 193 V C 2.552 178.769 176.094 0.205 0.000 1.051 193 V CA 1.857 64.241 62.300 0.139 0.000 1.036 193 V CB -0.716 31.190 31.823 0.139 0.000 0.654 193 V HN 0.569 nan 8.190 nan 0.000 0.451 194 L N -0.864 120.489 121.223 0.217 0.000 2.046 194 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 194 L C 2.449 179.455 176.870 0.226 0.000 1.077 194 L CA 1.548 56.554 54.840 0.276 0.000 0.747 194 L CB -0.685 41.422 42.059 0.079 0.000 0.896 194 L HN 0.320 nan 8.230 nan 0.000 0.432 195 L N -0.456 120.858 121.223 0.151 0.000 2.017 195 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 195 L C 2.624 179.607 176.870 0.188 0.000 1.073 195 L CA 0.927 55.864 54.840 0.161 0.000 0.745 195 L CB -0.436 41.700 42.059 0.127 0.000 0.894 195 L HN 0.225 nan 8.230 nan 0.000 0.432 196 L N -0.421 120.904 121.223 0.170 0.000 2.042 196 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 196 L C 2.212 179.179 176.870 0.162 0.000 1.076 196 L CA 1.795 56.723 54.840 0.147 0.000 0.749 196 L CB -0.216 41.917 42.059 0.123 0.000 0.893 196 L HN 0.129 nan 8.230 nan 0.000 0.432 197 L N -1.659 119.696 121.223 0.219 0.000 2.202 197 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 197 L C 2.544 179.630 176.870 0.360 0.000 1.083 197 L CA 0.984 55.962 54.840 0.231 0.000 0.790 197 L CB -0.630 41.504 42.059 0.125 0.000 0.942 197 L HN 0.407 nan 8.230 nan 0.000 0.452 198 S N -0.046 115.911 115.700 0.429 0.000 2.388 198 S HA -0.043 4.427 4.470 -0.000 0.000 0.223 198 S C 1.979 176.810 174.600 0.386 0.000 1.034 198 S CA 0.327 58.777 58.200 0.417 0.000 0.963 198 S CB -0.632 62.700 63.200 0.221 0.000 0.827 198 S HN 0.265 nan 8.310 nan 0.000 0.481 199 L N 1.790 123.199 121.223 0.310 0.000 2.079 199 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 199 L C -0.749 176.132 176.870 0.019 0.000 1.081 199 L CA 1.246 56.153 54.840 0.111 0.000 0.752 199 L CB -1.396 40.726 42.059 0.105 0.000 0.896 199 L HN 0.297 nan 8.230 nan 0.000 0.433 200 P HA -0.104 nan 4.420 nan 0.000 0.221 200 P C 1.813 179.119 177.300 0.010 0.000 1.150 200 P CA 0.926 64.047 63.100 0.036 0.000 0.800 200 P CB 0.149 31.880 31.700 0.051 0.000 0.787 201 V N -0.492 119.453 119.914 0.053 0.000 2.453 201 V HA -0.181 3.938 4.120 -0.000 0.000 0.247 201 V C 2.305 178.359 176.094 -0.067 0.000 1.048 201 V CA 1.317 63.627 62.300 0.017 0.000 1.049 201 V CB -1.149 30.762 31.823 0.146 0.000 0.672 201 V HN 0.068 nan 8.190 nan 0.000 0.457 202 L N 1.142 122.282 121.223 -0.138 0.000 2.046 202 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 202 L C 2.461 179.184 176.870 -0.246 0.000 1.077 202 L CA 2.327 56.957 54.840 -0.349 0.000 0.747 202 L CB -0.852 40.675 42.059 -0.886 0.000 0.896 202 L HN 0.199 nan 8.230 nan 0.000 0.432 203 A N -0.308 122.418 122.820 -0.157 0.000 1.908 203 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 203 A C 2.465 180.055 177.584 0.009 0.000 1.181 203 A CA 1.942 53.963 52.037 -0.025 0.000 0.627 203 A CB -1.225 17.800 19.000 0.042 0.000 0.818 203 A HN 0.612 nan 8.150 nan 0.000 0.445 204 A N -0.478 122.318 122.820 -0.040 0.000 1.858 204 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 204 A C 2.469 180.011 177.584 -0.071 0.000 1.190 204 A CA 2.028 54.028 52.037 -0.061 0.000 0.617 204 A CB -1.504 17.443 19.000 -0.088 0.000 0.827 204 A HN 0.761 nan 8.150 nan 0.000 0.443 205 G N 0.740 109.493 108.800 -0.079 0.000 2.446 205 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 205 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 205 G C 1.516 176.478 174.900 0.103 0.000 1.168 205 G CA 1.331 46.414 45.100 -0.027 0.000 0.771 205 G HN 0.883 nan 8.290 nan 0.000 0.551 206 I N -1.752 118.827 120.570 0.014 0.000 2.676 206 I HA 0.040 4.210 4.170 -0.000 0.000 0.259 206 I C 2.249 178.387 176.117 0.035 0.000 1.194 206 I CA 1.454 62.775 61.300 0.035 0.000 1.473 206 I CB -0.524 37.375 38.000 -0.169 0.000 1.096 206 I HN -0.071 nan 8.210 nan 0.000 0.443 207 T N 1.356 115.956 114.554 0.078 0.000 2.857 207 T HA 0.050 4.400 4.350 -0.000 0.000 0.266 207 T C 1.908 176.644 174.700 0.059 0.000 1.048 207 T CA 1.500 63.673 62.100 0.122 0.000 1.139 207 T CB -0.153 68.784 68.868 0.115 0.000 0.874 207 T HN 0.320 nan 8.240 nan 0.000 0.455 208 M N 0.375 119.964 119.600 -0.018 0.000 2.175 208 M HA 0.013 4.493 4.480 -0.000 0.000 0.264 208 M C 2.183 178.584 176.300 0.168 0.000 1.063 208 M CA 1.087 56.285 55.300 -0.170 0.000 1.119 208 M CB -0.352 31.867 32.600 -0.636 0.000 1.377 208 M HN 0.169 nan 8.290 nan 0.000 0.415 209 L N 0.448 121.899 121.223 0.380 0.000 2.093 209 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 209 L C 2.116 179.079 176.870 0.155 0.000 1.085 209 L CA 1.501 56.563 54.840 0.370 0.000 0.755 209 L CB -0.678 41.537 42.059 0.261 0.000 0.904 209 L HN 0.202 nan 8.230 nan 0.000 0.435 210 L N -0.638 120.635 121.223 0.083 0.000 2.046 210 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 210 L C 2.554 179.467 176.870 0.072 0.000 1.077 210 L CA 2.491 57.342 54.840 0.018 0.000 0.747 210 L CB -0.961 41.090 42.059 -0.014 0.000 0.896 210 L HN 0.603 nan 8.230 nan 0.000 0.432 211 T N -4.751 109.874 114.554 0.119 0.000 2.904 211 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 211 T C 1.639 176.406 174.700 0.112 0.000 1.059 211 T CA 1.137 63.316 62.100 0.131 0.000 1.137 211 T CB -0.593 68.390 68.868 0.192 0.000 0.879 211 T HN 0.268 nan 8.240 nan 0.000 0.467 212 D N 1.355 121.839 120.400 0.139 0.000 2.144 212 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 212 D C 2.460 178.804 176.300 0.074 0.000 0.984 212 D CA 0.867 54.926 54.000 0.098 0.000 0.834 212 D CB -0.151 40.738 40.800 0.148 0.000 0.955 212 D HN 0.433 nan 8.370 nan 0.000 0.465 213 R N -0.286 120.259 120.500 0.076 0.000 2.153 213 R HA 0.134 4.474 4.340 -0.000 0.000 0.218 213 R C 1.099 177.429 176.300 0.049 0.000 1.072 213 R CA 0.743 56.876 56.100 0.055 0.000 0.990 213 R CB 0.181 30.504 30.300 0.038 0.000 0.889 213 R HN 0.180 nan 8.270 nan 0.000 0.452 214 N N -0.874 117.858 118.700 0.053 0.000 2.211 214 N HA 0.110 4.850 4.740 -0.000 0.000 0.216 214 N C 0.734 176.273 175.510 0.048 0.000 1.240 214 N CA 0.259 53.341 53.050 0.054 0.000 0.895 214 N CB 1.118 39.647 38.487 0.070 0.000 1.102 214 N HN 0.095 nan 8.380 nan 0.000 0.498 215 L N 0.847 122.097 121.223 0.046 0.000 2.959 215 L HA 0.287 4.627 4.340 -0.000 0.000 0.259 215 L C -0.176 176.698 176.870 0.007 0.000 1.185 215 L CA -0.019 54.840 54.840 0.032 0.000 0.998 215 L CB 0.035 42.120 42.059 0.044 0.000 1.337 215 L HN -0.052 nan 8.230 nan 0.000 0.555 216 N N 0.666 119.368 118.700 0.003 0.000 2.741 216 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 216 N C 0.497 175.968 175.510 -0.065 0.000 1.115 216 N CA 1.325 54.362 53.050 -0.021 0.000 0.724 216 N CB -1.356 37.120 38.487 -0.019 0.000 1.090 216 N HN 0.547 nan 8.380 nan 0.000 0.558 217 T N -2.589 111.916 114.554 -0.082 0.000 2.816 217 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 217 T C 1.142 175.710 174.700 -0.221 0.000 0.993 217 T CA 0.277 62.243 62.100 -0.224 0.000 0.994 217 T CB 1.723 70.430 68.868 -0.268 0.000 1.025 217 T HN 0.253 nan 8.240 nan 0.000 0.529 218 T N -1.659 112.669 114.554 -0.376 0.000 3.748 218 T HA 0.319 4.669 4.350 -0.000 0.000 0.281 218 T C 0.604 175.143 174.700 -0.269 0.000 0.977 218 T CA -0.674 61.290 62.100 -0.227 0.000 1.056 218 T CB -1.005 67.778 68.868 -0.143 0.000 1.138 218 T HN 0.472 nan 8.240 nan 0.000 0.498 219 F N 0.772 120.519 119.950 -0.338 0.000 2.161 219 F HA 0.078 4.605 4.527 -0.000 0.000 0.300 219 F C 1.230 176.767 175.800 -0.438 0.000 1.089 219 F CA 1.187 58.860 58.000 -0.545 0.000 1.282 219 F CB -0.294 38.061 39.000 -1.075 0.000 1.010 219 F HN 0.369 nan 8.300 nan 0.000 0.485 220 F N -1.622 118.463 119.950 0.225 0.000 2.683 220 F HA 0.222 4.749 4.527 -0.000 0.000 0.306 220 F C 0.075 175.918 175.800 0.071 0.000 1.102 220 F CA -0.926 57.155 58.000 0.135 0.000 1.244 220 F CB -0.270 38.799 39.000 0.114 0.000 1.029 220 F HN -0.273 nan 8.300 nan 0.000 0.545 221 D N 1.658 122.150 120.400 0.152 0.000 2.392 221 D HA 0.260 4.900 4.640 -0.000 0.000 0.228 221 D C -1.989 174.346 176.300 0.059 0.000 1.074 221 D CA -2.468 51.586 54.000 0.090 0.000 0.838 221 D CB 2.113 42.940 40.800 0.046 0.000 1.067 221 D HN -0.094 nan 8.370 nan 0.000 0.511 222 P HA -0.132 nan 4.420 nan 0.000 0.217 222 P C 1.052 178.369 177.300 0.029 0.000 1.148 222 P CA 1.312 64.442 63.100 0.051 0.000 0.828 222 P CB 0.232 31.963 31.700 0.052 0.000 0.783 223 A N -0.292 122.542 122.820 0.023 0.000 1.986 223 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 223 A C 2.223 179.805 177.584 -0.004 0.000 1.171 223 A CA 2.030 54.073 52.037 0.011 0.000 0.640 223 A CB -1.647 17.359 19.000 0.010 0.000 0.811 223 A HN 0.337 nan 8.150 nan 0.000 0.451 224 G N -2.797 105.994 108.800 -0.015 0.000 3.233 224 G HA2 0.412 4.372 3.960 -0.000 0.000 0.234 224 G HA3 0.412 4.372 3.960 -0.000 0.000 0.234 224 G C 1.004 175.881 174.900 -0.038 0.000 1.137 224 G CA 0.486 45.562 45.100 -0.040 0.000 0.763 224 G HN 1.610 nan 8.290 nan 0.000 0.549 225 G N -1.089 107.705 108.800 -0.010 0.000 2.157 225 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.239 225 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.239 225 G C 0.793 175.704 174.900 0.019 0.000 0.982 225 G CA 0.183 45.284 45.100 0.003 0.000 0.650 225 G HN 0.978 nan 8.290 nan 0.000 0.527 226 G N -0.864 107.950 108.800 0.022 0.000 2.588 226 G HA2 0.509 4.468 3.960 -0.000 0.000 0.278 226 G HA3 0.509 4.468 3.960 -0.000 0.000 0.278 226 G C -0.733 174.244 174.900 0.128 0.000 1.307 226 G CA 0.568 45.708 45.100 0.067 0.000 1.016 226 G HN 0.495 nan 8.290 nan 0.000 0.503 227 D N -1.496 119.035 120.400 0.218 0.000 2.891 227 D HA 0.336 4.976 4.640 -0.000 0.000 0.224 227 D C -2.077 174.395 176.300 0.288 0.000 1.321 227 D CA -1.589 52.540 54.000 0.216 0.000 0.929 227 D CB 2.199 43.116 40.800 0.195 0.000 1.551 227 D HN -0.053 nan 8.370 nan 0.000 0.574 228 P HA -0.055 nan 4.420 nan 0.000 0.218 228 P C 1.582 178.860 177.300 -0.037 0.000 1.149 228 P CA 0.431 63.565 63.100 0.056 0.000 0.817 228 P CB 0.328 32.028 31.700 -0.000 0.000 0.785 229 I N -1.218 119.364 120.570 0.020 0.000 2.454 229 I HA -0.153 4.017 4.170 -0.000 0.000 0.254 229 I C 2.112 178.268 176.117 0.065 0.000 1.156 229 I CA 0.986 62.272 61.300 -0.022 0.000 1.433 229 I CB -1.644 36.377 38.000 0.035 0.000 1.082 229 I HN 0.008 nan 8.210 nan 0.000 0.432 230 L N 0.639 121.994 121.223 0.219 0.000 2.042 230 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 230 L C 2.615 179.599 176.870 0.190 0.000 1.076 230 L CA 1.858 56.892 54.840 0.324 0.000 0.749 230 L CB -1.204 41.117 42.059 0.437 0.000 0.893 230 L HN 0.259 nan 8.230 nan 0.000 0.432 231 Y N 0.227 120.384 120.300 -0.239 0.000 2.165 231 Y HA -0.294 4.256 4.550 -0.000 0.000 0.286 231 Y C 2.549 178.274 175.900 -0.293 0.000 1.155 231 Y CA 2.207 59.929 58.100 -0.630 0.000 1.164 231 Y CB -0.267 37.397 38.460 -1.327 0.000 0.978 231 Y HN 0.404 nan 8.280 nan 0.000 0.513 232 Q N -1.093 118.615 119.800 -0.153 0.000 2.084 232 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 232 Q C 2.059 178.126 176.000 0.112 0.000 0.978 232 Q CA 1.545 57.284 55.803 -0.107 0.000 0.844 232 Q CB -0.356 28.227 28.738 -0.259 0.000 0.898 232 Q HN 0.620 nan 8.270 nan 0.000 0.426 233 H N 0.535 119.705 119.070 0.166 0.000 2.321 233 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 233 H C 2.218 177.548 175.328 0.003 0.000 1.087 233 H CA 1.178 57.370 56.048 0.240 0.000 1.319 233 H CB -0.174 29.727 29.762 0.232 0.000 1.379 233 H HN 0.213 nan 8.280 nan 0.000 0.501 234 L N -0.588 120.650 121.223 0.025 0.000 2.056 234 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 234 L C 2.537 179.311 176.870 -0.159 0.000 1.078 234 L CA 0.997 55.770 54.840 -0.111 0.000 0.749 234 L CB -0.530 41.432 42.059 -0.161 0.000 0.901 234 L HN 0.104 nan 8.230 nan 0.000 0.433 235 F N -0.125 119.546 119.950 -0.466 0.000 2.075 235 F HA -0.228 4.299 4.527 -0.000 0.000 0.297 235 F C 2.044 177.631 175.800 -0.356 0.000 1.113 235 F CA 1.557 59.226 58.000 -0.552 0.000 1.218 235 F CB -0.401 38.084 39.000 -0.858 0.000 0.984 235 F HN -0.043 nan 8.300 nan 0.000 0.472 236 W N -1.085 120.285 121.300 0.117 0.000 2.519 236 W HA -0.104 4.556 4.660 -0.000 0.000 0.266 236 W C 2.214 178.712 176.519 -0.036 0.000 1.253 236 W CA 0.494 57.870 57.345 0.052 0.000 1.274 236 W CB -0.606 29.024 29.460 0.283 0.000 1.114 236 W HN 0.103 nan 8.180 nan 0.000 0.596 237 F N -0.051 119.820 119.950 -0.132 0.000 2.216 237 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 237 F C 2.174 177.905 175.800 -0.116 0.000 1.085 237 F CA 1.684 59.477 58.000 -0.344 0.000 1.326 237 F CB -0.493 38.165 39.000 -0.569 0.000 1.027 237 F HN -0.029 nan 8.300 nan 0.000 0.497 238 F N 0.312 120.133 119.950 -0.214 0.000 2.179 238 F HA 0.200 4.727 4.527 -0.000 0.000 0.292 238 F C 2.282 177.869 175.800 -0.355 0.000 1.089 238 F CA 1.353 59.180 58.000 -0.287 0.000 1.295 238 F CB -1.222 37.579 39.000 -0.332 0.000 1.041 238 F HN -0.099 nan 8.300 nan 0.000 0.487 239 G N -0.402 107.902 108.800 -0.826 0.000 2.513 239 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.219 239 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.219 239 G C 1.495 176.182 174.900 -0.354 0.000 1.160 239 G CA 1.543 46.188 45.100 -0.759 0.000 0.767 239 G HN 0.564 nan 8.290 nan 0.000 0.571 240 H N 1.665 120.702 119.070 -0.055 0.000 2.326 240 H HA 0.018 4.574 4.556 -0.000 0.000 0.301 240 H C 0.239 175.508 175.328 -0.098 0.000 1.081 240 H CA 1.532 57.609 56.048 0.048 0.000 1.334 240 H CB -0.643 29.231 29.762 0.187 0.000 1.385 240 H HN 0.282 nan 8.280 nan 0.000 0.504 241 P HA -0.168 nan 4.420 nan 0.000 0.216 241 P C 1.252 178.281 177.300 -0.452 0.000 1.150 241 P CA 1.963 64.762 63.100 -0.502 0.000 0.843 241 P CB 0.036 31.202 31.700 -0.889 0.000 0.787 242 E N 0.027 119.815 120.200 -0.686 0.000 2.085 242 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 242 E C 1.736 178.048 176.600 -0.480 0.000 0.994 242 E CA 1.585 57.594 56.400 -0.652 0.000 0.801 242 E CB -1.230 27.852 29.700 -1.029 0.000 0.743 242 E HN 0.128 nan 8.360 nan 0.000 0.453 243 V N -1.159 118.434 119.914 -0.535 0.000 2.515 243 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 243 V C 1.886 177.622 176.094 -0.596 0.000 1.058 243 V CA 1.736 63.703 62.300 -0.555 0.000 1.064 243 V CB -1.079 30.397 31.823 -0.578 0.000 0.675 243 V HN 0.250 nan 8.190 nan 0.000 0.461 244 Y N 0.221 120.337 120.300 -0.307 0.000 2.395 244 Y HA 0.206 4.756 4.550 -0.000 0.000 0.293 244 Y C 2.350 178.127 175.900 -0.205 0.000 1.123 244 Y CA 1.390 59.378 58.100 -0.187 0.000 1.227 244 Y CB -0.369 38.032 38.460 -0.099 0.000 1.012 244 Y HN 0.185 nan 8.280 nan 0.000 0.552 245 I N -0.513 119.978 120.570 -0.132 0.000 2.315 245 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 245 I C 1.816 177.833 176.117 -0.166 0.000 1.117 245 I CA 1.281 62.502 61.300 -0.133 0.000 1.404 245 I CB -0.256 37.654 38.000 -0.150 0.000 1.071 245 I HN 0.219 nan 8.210 nan 0.000 0.419 246 L N -0.506 120.580 121.223 -0.228 0.000 2.217 246 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 246 L C 2.238 178.996 176.870 -0.185 0.000 1.107 246 L CA 0.814 55.524 54.840 -0.217 0.000 0.783 246 L CB -0.105 41.786 42.059 -0.281 0.000 0.919 246 L HN 0.235 nan 8.230 nan 0.000 0.442 247 I N -1.159 119.263 120.570 -0.247 0.000 3.526 247 I HA -0.049 4.121 4.170 -0.000 0.000 0.294 247 I C 2.015 177.823 176.117 -0.515 0.000 1.229 247 I CA 0.776 61.871 61.300 -0.342 0.000 1.408 247 I CB 0.172 37.915 38.000 -0.428 0.000 1.127 247 I HN 0.008 nan 8.210 nan 0.000 0.439 248 L N 1.280 122.283 121.223 -0.367 0.000 1.997 248 L HA -0.198 4.142 4.340 -0.000 0.000 0.216 248 L C -0.433 176.409 176.870 -0.047 0.000 1.074 248 L CA 1.935 56.656 54.840 -0.198 0.000 0.763 248 L CB -1.869 40.166 42.059 -0.041 0.000 0.890 248 L HN 0.194 nan 8.230 nan 0.000 0.434 249 P HA -0.109 nan 4.420 nan 0.000 0.220 249 P C 1.471 178.868 177.300 0.163 0.000 1.148 249 P CA 1.546 64.677 63.100 0.052 0.000 0.803 249 P CB -0.144 31.584 31.700 0.046 0.000 0.782 250 G N -1.288 107.529 108.800 0.030 0.000 2.402 250 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 250 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 250 G C 1.454 176.346 174.900 -0.014 0.000 1.162 250 G CA 0.200 45.285 45.100 -0.026 0.000 0.777 250 G HN 0.228 nan 8.290 nan 0.000 0.539 251 F N 1.345 121.287 119.950 -0.012 0.000 2.126 251 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 251 F C 3.003 178.929 175.800 0.210 0.000 1.096 251 F CA 0.323 58.398 58.000 0.124 0.000 1.255 251 F CB -0.131 39.023 39.000 0.256 0.000 0.997 251 F HN 0.275 nan 8.300 nan 0.000 0.479 252 G N 0.330 109.391 108.800 0.434 0.000 2.459 252 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 252 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 252 G C 1.572 176.761 174.900 0.482 0.000 1.183 252 G CA 0.801 46.194 45.100 0.488 0.000 0.776 252 G HN 0.211 nan 8.290 nan 0.000 0.552 253 M N 0.112 119.899 119.600 0.312 0.000 2.159 253 M HA 0.019 4.499 4.480 -0.000 0.000 0.263 253 M C 2.475 178.794 176.300 0.031 0.000 1.063 253 M CA 0.844 56.209 55.300 0.108 0.000 1.110 253 M CB -0.315 32.238 32.600 -0.078 0.000 1.374 253 M HN 0.106 nan 8.290 nan 0.000 0.411 254 I N 0.019 120.499 120.570 -0.150 0.000 2.208 254 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 254 I C 2.449 178.435 176.117 -0.219 0.000 1.097 254 I CA 1.486 62.533 61.300 -0.422 0.000 1.363 254 I CB -1.340 36.024 38.000 -1.060 0.000 1.051 254 I HN 0.237 nan 8.210 nan 0.000 0.413 255 S N -0.473 115.311 115.700 0.141 0.000 2.370 255 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 255 S C 1.887 176.652 174.600 0.276 0.000 1.033 255 S CA 1.090 59.517 58.200 0.379 0.000 1.011 255 S CB -0.446 63.083 63.200 0.548 0.000 0.852 255 S HN 0.514 nan 8.310 nan 0.000 0.457 256 H N 0.311 119.486 119.070 0.175 0.000 2.357 256 H HA 0.059 4.615 4.556 -0.000 0.000 0.301 256 H C 2.178 177.483 175.328 -0.038 0.000 1.082 256 H CA 1.360 57.500 56.048 0.153 0.000 1.342 256 H CB -0.164 29.767 29.762 0.282 0.000 1.389 256 H HN 0.340 nan 8.280 nan 0.000 0.511 257 I N 0.370 120.909 120.570 -0.052 0.000 2.179 257 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 257 I C 2.547 178.670 176.117 0.011 0.000 1.088 257 I CA 0.797 61.986 61.300 -0.185 0.000 1.357 257 I CB -0.216 37.662 38.000 -0.204 0.000 1.051 257 I HN 0.009 nan 8.210 nan 0.000 0.409 258 V N 0.470 120.373 119.914 -0.018 0.000 2.343 258 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 258 V C 2.508 178.631 176.094 0.049 0.000 1.051 258 V CA 2.480 64.787 62.300 0.011 0.000 1.036 258 V CB -0.918 30.890 31.823 -0.025 0.000 0.654 258 V HN 0.478 nan 8.190 nan 0.000 0.451 259 T N -1.173 113.421 114.554 0.068 0.000 2.708 259 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 259 T C 1.732 176.416 174.700 -0.026 0.000 1.037 259 T CA 2.075 64.205 62.100 0.050 0.000 1.146 259 T CB -0.374 68.533 68.868 0.064 0.000 0.865 259 T HN 0.545 nan 8.240 nan 0.000 0.435 260 Y N 0.753 120.940 120.300 -0.188 0.000 2.097 260 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 260 Y C 1.801 177.424 175.900 -0.462 0.000 1.152 260 Y CA 1.434 59.311 58.100 -0.371 0.000 1.136 260 Y CB -0.357 37.747 38.460 -0.594 0.000 0.975 260 Y HN 0.259 nan 8.280 nan 0.000 0.498 261 Y N -1.135 119.171 120.300 0.009 0.000 2.529 261 Y HA 0.027 4.577 4.550 -0.000 0.000 0.290 261 Y C 2.120 177.918 175.900 -0.170 0.000 1.177 261 Y CA 0.779 58.827 58.100 -0.086 0.000 1.305 261 Y CB -0.153 38.257 38.460 -0.084 0.000 1.047 261 Y HN 0.015 nan 8.280 nan 0.000 0.522 262 S N -0.928 114.731 115.700 -0.067 0.000 2.556 262 S HA 0.200 4.670 4.470 -0.000 0.000 0.216 262 S C 1.727 176.257 174.600 -0.116 0.000 0.970 262 S CA 0.544 58.693 58.200 -0.086 0.000 0.912 262 S CB -0.126 63.050 63.200 -0.039 0.000 0.790 262 S HN 0.653 nan 8.310 nan 0.000 0.504 263 G N 1.727 110.414 108.800 -0.188 0.000 2.198 263 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 263 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 263 G C -0.073 174.729 174.900 -0.164 0.000 1.025 263 G CA 0.269 45.236 45.100 -0.221 0.000 0.769 263 G HN 0.356 nan 8.290 nan 0.000 0.507 264 K N -0.152 120.169 120.400 -0.131 0.000 2.098 264 K HA 0.551 4.871 4.320 -0.000 0.000 0.261 264 K C 1.468 178.028 176.600 -0.067 0.000 0.987 264 K CA -0.268 55.980 56.287 -0.064 0.000 0.916 264 K CB 0.922 33.420 32.500 -0.003 0.000 1.039 264 K HN 0.293 nan 8.250 nan 0.000 0.455 265 K N 1.227 121.608 120.400 -0.032 0.000 2.393 265 K HA 0.053 4.373 4.320 -0.000 0.000 0.193 265 K C -0.464 176.144 176.600 0.014 0.000 1.026 265 K CA 0.423 56.699 56.287 -0.017 0.000 1.064 265 K CB 0.195 32.687 32.500 -0.013 0.000 0.833 265 K HN 0.641 nan 8.250 nan 0.000 0.521 266 E N 0.501 120.720 120.200 0.032 0.000 2.401 266 E HA 0.315 4.665 4.350 -0.000 0.000 0.280 266 E C -3.122 173.543 176.600 0.109 0.000 1.039 266 E CA -2.254 54.184 56.400 0.062 0.000 0.814 266 E CB 1.404 31.130 29.700 0.044 0.000 1.275 266 E HN -0.168 nan 8.360 nan 0.000 0.448 267 P HA 0.125 nan 4.420 nan 0.000 0.278 267 P C -0.673 176.768 177.300 0.235 0.000 1.238 267 P CA -0.392 62.841 63.100 0.221 0.000 0.794 267 P CB 0.489 32.339 31.700 0.250 0.000 0.955 268 F N 1.907 121.930 119.950 0.122 0.000 2.529 268 F HA 0.350 4.877 4.527 -0.000 0.000 0.365 268 F C 1.342 177.192 175.800 0.083 0.000 1.102 268 F CA 1.230 59.289 58.000 0.097 0.000 1.271 268 F CB -0.084 38.973 39.000 0.095 0.000 1.120 268 F HN 0.703 nan 8.300 nan 0.000 0.579 269 G N 6.018 114.485 108.800 -0.555 0.000 2.372 269 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G C 0.370 175.250 174.900 -0.033 0.000 1.005 269 G CA 0.653 45.563 45.100 -0.317 0.000 1.173 269 G HN 1.068 nan 8.290 nan 0.000 0.511 270 Y N 0.471 120.717 120.300 -0.090 0.000 2.069 270 Y HA -0.289 4.261 4.550 -0.000 0.000 0.278 270 Y C 2.670 178.546 175.900 -0.039 0.000 1.175 270 Y CA 2.700 60.789 58.100 -0.018 0.000 1.134 270 Y CB -0.084 38.386 38.460 0.017 0.000 0.965 270 Y HN 0.414 nan 8.280 nan 0.000 0.498 271 M N -0.152 119.480 119.600 0.054 0.000 2.229 271 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 271 M C 2.421 178.659 176.300 -0.103 0.000 1.063 271 M CA 1.420 56.677 55.300 -0.072 0.000 1.114 271 M CB -1.889 30.704 32.600 -0.013 0.000 1.387 271 M HN 0.509 nan 8.290 nan 0.000 0.420 272 G N -0.184 108.579 108.800 -0.063 0.000 2.422 272 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 272 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 272 G C 1.542 176.479 174.900 0.061 0.000 1.140 272 G CA 0.432 45.546 45.100 0.024 0.000 0.775 272 G HN 0.264 nan 8.290 nan 0.000 0.545 273 M N 0.407 119.951 119.600 -0.093 0.000 2.200 273 M HA 0.041 4.521 4.480 -0.000 0.000 0.265 273 M C 2.729 178.885 176.300 -0.240 0.000 1.066 273 M CA 0.669 55.874 55.300 -0.159 0.000 1.127 273 M CB -0.906 31.594 32.600 -0.166 0.000 1.379 273 M HN 0.108 nan 8.290 nan 0.000 0.420 274 V N -0.997 118.664 119.914 -0.423 0.000 2.307 274 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 274 V C 2.088 177.973 176.094 -0.348 0.000 1.045 274 V CA 1.813 63.721 62.300 -0.653 0.000 1.024 274 V CB -0.823 30.383 31.823 -1.028 0.000 0.651 274 V HN 0.622 nan 8.190 nan 0.000 0.449 275 W N 1.222 122.329 121.300 -0.323 0.000 2.335 275 W HA -0.223 4.437 4.660 -0.000 0.000 0.311 275 W C 2.440 178.885 176.519 -0.124 0.000 1.213 275 W CA 2.256 59.487 57.345 -0.190 0.000 1.274 275 W CB -0.471 28.901 29.460 -0.147 0.000 1.148 275 W HN 0.188 nan 8.180 nan 0.000 0.498 276 A N 0.464 123.177 122.820 -0.177 0.000 1.883 276 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 276 A C 2.070 179.467 177.584 -0.311 0.000 1.186 276 A CA 2.311 54.119 52.037 -0.381 0.000 0.624 276 A CB -0.930 18.001 19.000 -0.115 0.000 0.822 276 A HN 0.433 nan 8.150 nan 0.000 0.444 277 M N -1.223 118.273 119.600 -0.175 0.000 2.175 277 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 277 M C 2.367 178.627 176.300 -0.067 0.000 1.063 277 M CA 1.370 56.646 55.300 -0.041 0.000 1.119 277 M CB -0.459 32.160 32.600 0.032 0.000 1.377 277 M HN 0.422 nan 8.290 nan 0.000 0.415 278 M N -0.679 118.830 119.600 -0.152 0.000 2.132 278 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 278 M C 2.259 178.493 176.300 -0.110 0.000 1.065 278 M CA 1.404 56.650 55.300 -0.089 0.000 1.122 278 M CB -0.659 31.878 32.600 -0.104 0.000 1.365 278 M HN 0.206 nan 8.290 nan 0.000 0.411 279 S N 1.098 116.596 115.700 -0.337 0.000 2.368 279 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 279 S C 1.874 176.394 174.600 -0.134 0.000 1.030 279 S CA 1.125 59.142 58.200 -0.305 0.000 0.999 279 S CB -0.369 62.368 63.200 -0.771 0.000 0.844 279 S HN 0.365 nan 8.310 nan 0.000 0.459 280 I N 1.494 121.958 120.570 -0.178 0.000 2.226 280 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 280 I C 2.676 178.684 176.117 -0.181 0.000 1.100 280 I CA 1.171 62.374 61.300 -0.162 0.000 1.374 280 I CB -0.799 37.186 38.000 -0.024 0.000 1.057 280 I HN 0.375 nan 8.210 nan 0.000 0.413 281 G N 0.593 109.371 108.800 -0.036 0.000 2.418 281 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 281 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 281 G C 1.569 176.562 174.900 0.156 0.000 1.158 281 G CA 0.577 45.706 45.100 0.049 0.000 0.771 281 G HN 0.329 nan 8.290 nan 0.000 0.545 282 F N 1.360 121.336 119.950 0.044 0.000 2.051 282 F HA 0.048 4.575 4.527 -0.000 0.000 0.296 282 F C 2.455 178.316 175.800 0.102 0.000 1.122 282 F CA 1.229 59.292 58.000 0.105 0.000 1.201 282 F CB -0.493 38.521 39.000 0.024 0.000 0.978 282 F HN 0.033 nan 8.300 nan 0.000 0.472 283 L N 0.228 121.307 121.223 -0.239 0.000 2.187 283 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 283 L C 2.650 179.343 176.870 -0.295 0.000 1.100 283 L CA 1.161 55.808 54.840 -0.323 0.000 0.765 283 L CB -1.491 40.463 42.059 -0.175 0.000 0.904 283 L HN 0.403 nan 8.230 nan 0.000 0.437 284 G N -0.990 107.622 108.800 -0.314 0.000 2.535 284 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 284 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 284 G C 1.178 175.960 174.900 -0.197 0.000 1.122 284 G CA 0.220 45.145 45.100 -0.293 0.000 0.769 284 G HN 0.285 nan 8.290 nan 0.000 0.549 285 F N 0.046 119.902 119.950 -0.158 0.000 2.749 285 F HA 0.308 4.835 4.527 -0.000 0.000 0.300 285 F C 1.842 177.664 175.800 0.036 0.000 1.103 285 F CA -0.192 57.707 58.000 -0.168 0.000 1.342 285 F CB 0.434 39.327 39.000 -0.179 0.000 1.098 285 F HN 0.216 nan 8.300 nan 0.000 0.586 286 I N -1.978 118.698 120.570 0.176 0.000 3.856 286 I HA 0.256 4.426 4.170 -0.000 0.000 0.330 286 I C 0.321 176.567 176.117 0.214 0.000 1.546 286 I CA 0.004 61.479 61.300 0.292 0.000 1.132 286 I CB 0.150 38.200 38.000 0.083 0.000 1.157 286 I HN -0.103 nan 8.210 nan 0.000 0.440 287 V N -3.595 116.424 119.914 0.174 0.000 3.382 287 V HA 0.203 4.323 4.120 -0.000 0.000 0.296 287 V C 1.703 177.576 176.094 -0.368 0.000 1.529 287 V CA -0.133 62.157 62.300 -0.017 0.000 1.048 287 V CB -0.915 30.742 31.823 -0.277 0.000 0.878 287 V HN 0.706 nan 8.190 nan 0.000 0.442 288 W N 2.576 123.802 121.300 -0.122 0.000 2.313 288 W HA -0.108 4.552 4.660 -0.000 0.000 0.293 288 W C 1.828 178.101 176.519 -0.410 0.000 1.216 288 W CA 2.117 59.361 57.345 -0.168 0.000 1.223 288 W CB -0.918 28.614 29.460 0.120 0.000 1.138 288 W HN 0.249 nan 8.180 nan 0.000 0.535 289 A N 1.596 123.388 122.820 -1.713 0.000 2.248 289 A HA -0.174 4.146 4.320 -0.000 0.000 0.210 289 A C 1.796 178.599 177.584 -1.301 0.000 1.174 289 A CA 1.228 52.328 52.037 -1.561 0.000 0.750 289 A CB -1.855 15.837 19.000 -2.181 0.000 0.780 289 A HN 0.822 nan 8.150 nan 0.000 0.478 290 H N -3.260 115.087 119.070 -1.206 0.000 2.559 290 H HA 0.016 4.572 4.556 -0.000 0.000 0.273 290 H C 0.860 175.367 175.328 -1.369 0.000 1.000 290 H CA 0.828 55.866 56.048 -1.684 0.000 1.195 290 H CB -0.296 28.892 29.762 -0.958 0.000 1.368 290 H HN 0.653 nan 8.280 nan 0.000 0.592 291 H N 0.404 119.070 119.070 -0.674 0.000 2.551 291 H HA 0.215 4.771 4.556 -0.000 0.000 0.271 291 H C 0.533 175.522 175.328 -0.565 0.000 0.984 291 H CA 0.272 55.882 56.048 -0.730 0.000 1.164 291 H CB 0.563 29.367 29.762 -1.596 0.000 1.437 291 H HN 0.483 nan 8.280 nan 0.000 0.550 292 M N -0.419 118.874 119.600 -0.511 0.000 2.747 292 M HA 0.109 4.589 4.480 -0.000 0.000 0.402 292 M C 0.163 176.326 176.300 -0.228 0.000 1.238 292 M CA -0.204 54.905 55.300 -0.318 0.000 0.877 292 M CB 0.539 32.989 32.600 -0.249 0.000 1.424 292 M HN -0.090 nan 8.290 nan 0.000 0.511 293 F N 0.971 120.743 119.950 -0.297 0.000 2.408 293 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 293 F C 2.544 178.235 175.800 -0.182 0.000 1.090 293 F CA 1.517 59.387 58.000 -0.216 0.000 1.427 293 F CB -0.749 38.137 39.000 -0.190 0.000 1.070 293 F HN 0.283 nan 8.300 nan 0.000 0.549 294 T N -3.707 110.803 114.554 -0.073 0.000 3.054 294 T HA 0.132 4.482 4.350 -0.000 0.000 0.255 294 T C 1.580 176.274 174.700 -0.009 0.000 1.035 294 T CA 0.671 62.747 62.100 -0.040 0.000 0.941 294 T CB -0.681 68.163 68.868 -0.040 0.000 1.026 294 T HN 0.093 nan 8.240 nan 0.000 0.533 295 V N -1.181 118.720 119.914 -0.021 0.000 3.380 295 V HA 0.515 4.635 4.120 -0.000 0.000 0.268 295 V C 1.379 177.490 176.094 0.027 0.000 1.168 295 V CA 0.360 62.661 62.300 0.002 0.000 1.156 295 V CB -1.411 30.394 31.823 -0.030 0.000 0.785 295 V HN 0.852 nan 8.190 nan 0.000 0.487 296 G N 0.200 109.021 108.800 0.035 0.000 2.683 296 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.234 296 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.234 296 G C -0.469 174.468 174.900 0.061 0.000 1.135 296 G CA 0.120 45.248 45.100 0.046 0.000 0.975 296 G HN 0.478 nan 8.290 nan 0.000 0.511 297 M N 0.477 120.119 119.600 0.071 0.000 2.409 297 M HA 0.351 4.831 4.480 -0.000 0.000 0.329 297 M C 0.123 176.475 176.300 0.088 0.000 1.180 297 M CA -0.810 54.548 55.300 0.098 0.000 1.053 297 M CB 0.699 33.376 32.600 0.128 0.000 1.586 297 M HN 0.206 nan 8.290 nan 0.000 0.461 298 D N 1.194 121.652 120.400 0.096 0.000 2.419 298 D HA -0.057 4.583 4.640 -0.000 0.000 0.236 298 D C 0.862 177.207 176.300 0.075 0.000 1.165 298 D CA 0.060 54.107 54.000 0.077 0.000 0.882 298 D CB 0.928 41.777 40.800 0.081 0.000 1.201 298 D HN 0.357 nan 8.370 nan 0.000 0.443 299 V N 1.803 121.745 119.914 0.047 0.000 2.427 299 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 299 V C 1.215 177.337 176.094 0.046 0.000 1.051 299 V CA 1.835 64.152 62.300 0.028 0.000 1.048 299 V CB -0.097 31.731 31.823 0.008 0.000 0.666 299 V HN 0.403 nan 8.190 nan 0.000 0.456 300 D N -0.507 119.929 120.400 0.060 0.000 2.144 300 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 300 D C 2.252 178.627 176.300 0.125 0.000 0.978 300 D CA 1.811 55.853 54.000 0.070 0.000 0.833 300 D CB -0.420 40.412 40.800 0.053 0.000 0.961 300 D HN 0.435 nan 8.370 nan 0.000 0.470 301 T N 0.547 115.196 114.554 0.159 0.000 2.746 301 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 301 T C 1.996 176.935 174.700 0.398 0.000 1.039 301 T CA 0.841 63.109 62.100 0.280 0.000 1.142 301 T CB 0.051 69.087 68.868 0.280 0.000 0.866 301 T HN 0.116 nan 8.240 nan 0.000 0.444 302 R N 0.617 121.271 120.500 0.256 0.000 2.096 302 R HA 0.043 4.383 4.340 -0.000 0.000 0.235 302 R C 2.741 179.101 176.300 0.099 0.000 1.127 302 R CA 1.206 57.426 56.100 0.199 0.000 0.968 302 R CB -0.354 29.927 30.300 -0.030 0.000 0.861 302 R HN 0.345 nan 8.270 nan 0.000 0.440 303 A N 0.207 123.064 122.820 0.063 0.000 1.930 303 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 303 A C 1.925 179.524 177.584 0.024 0.000 1.175 303 A CA 1.085 53.131 52.037 0.015 0.000 0.627 303 A CB -0.596 18.415 19.000 0.018 0.000 0.815 303 A HN 0.480 nan 8.150 nan 0.000 0.443 304 Y N -0.583 119.709 120.300 -0.013 0.000 2.133 304 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 304 Y C 1.845 177.654 175.900 -0.152 0.000 1.134 304 Y CA 1.760 59.785 58.100 -0.125 0.000 1.133 304 Y CB -0.633 37.680 38.460 -0.245 0.000 0.987 304 Y HN 0.230 nan 8.280 nan 0.000 0.502 305 F N 0.275 120.052 119.950 -0.288 0.000 2.269 305 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 305 F C 2.473 178.213 175.800 -0.100 0.000 1.082 305 F CA 1.873 59.687 58.000 -0.310 0.000 1.360 305 F CB -0.916 38.056 39.000 -0.045 0.000 1.041 305 F HN 0.032 nan 8.300 nan 0.000 0.512 306 T N -1.104 113.541 114.554 0.151 0.000 2.737 306 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 306 T C 2.265 176.937 174.700 -0.046 0.000 1.038 306 T CA 1.744 63.894 62.100 0.083 0.000 1.144 306 T CB -0.322 68.514 68.868 -0.053 0.000 0.866 306 T HN 0.178 nan 8.240 nan 0.000 0.434 307 S N 1.518 117.133 115.700 -0.141 0.000 2.355 307 S HA 0.011 4.481 4.470 -0.000 0.000 0.222 307 S C 2.587 177.068 174.600 -0.197 0.000 1.031 307 S CA 0.942 59.052 58.200 -0.150 0.000 0.993 307 S CB -0.594 62.524 63.200 -0.136 0.000 0.859 307 S HN 0.565 nan 8.310 nan 0.000 0.453 308 A N 1.522 124.099 122.820 -0.405 0.000 1.902 308 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 308 A C 2.325 179.793 177.584 -0.193 0.000 1.181 308 A CA 2.062 53.876 52.037 -0.371 0.000 0.623 308 A CB -1.399 17.168 19.000 -0.722 0.000 0.818 308 A HN 0.475 nan 8.150 nan 0.000 0.443 309 T N 0.196 114.672 114.554 -0.130 0.000 2.746 309 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 309 T C 1.923 176.615 174.700 -0.013 0.000 1.039 309 T CA 1.751 63.846 62.100 -0.009 0.000 1.142 309 T CB -0.324 68.628 68.868 0.140 0.000 0.866 309 T HN 0.443 nan 8.240 nan 0.000 0.444 310 M N 0.280 119.865 119.600 -0.025 0.000 2.213 310 M HA 0.013 4.493 4.480 -0.000 0.000 0.263 310 M C 2.171 178.474 176.300 0.005 0.000 1.062 310 M CA 1.392 56.686 55.300 -0.009 0.000 1.105 310 M CB -0.638 31.953 32.600 -0.016 0.000 1.385 310 M HN 0.234 nan 8.290 nan 0.000 0.417 311 I N 0.441 121.006 120.570 -0.009 0.000 2.423 311 I HA -0.291 3.879 4.170 -0.000 0.000 0.254 311 I C 2.101 178.233 176.117 0.025 0.000 1.151 311 I CA 1.128 62.437 61.300 0.015 0.000 1.421 311 I CB -0.366 37.639 38.000 0.008 0.000 1.079 311 I HN 0.281 nan 8.210 nan 0.000 0.431 312 I N 0.824 121.399 120.570 0.008 0.000 2.567 312 I HA -0.270 3.900 4.170 -0.000 0.000 0.257 312 I C 2.715 178.876 176.117 0.074 0.000 1.184 312 I CA 0.998 62.309 61.300 0.017 0.000 1.451 312 I CB -0.484 37.525 38.000 0.014 0.000 1.089 312 I HN 0.199 nan 8.210 nan 0.000 0.441 313 A N 1.159 124.026 122.820 0.080 0.000 2.019 313 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 313 A C 2.256 179.903 177.584 0.105 0.000 1.164 313 A CA 1.264 53.358 52.037 0.095 0.000 0.644 313 A CB -0.570 18.474 19.000 0.073 0.000 0.805 313 A HN 0.377 nan 8.150 nan 0.000 0.449 314 I N 0.427 121.062 120.570 0.108 0.000 2.090 314 I HA -0.147 4.023 4.170 -0.000 0.000 0.236 314 I C -0.266 175.956 176.117 0.175 0.000 1.064 314 I CA 1.490 62.884 61.300 0.156 0.000 1.324 314 I CB -1.251 36.857 38.000 0.180 0.000 1.044 314 I HN 0.225 nan 8.210 nan 0.000 0.399 315 P HA -0.136 nan 4.420 nan 0.000 0.218 315 P C 1.526 178.824 177.300 -0.003 0.000 1.148 315 P CA 1.701 64.793 63.100 -0.014 0.000 0.822 315 P CB -0.307 31.176 31.700 -0.362 0.000 0.784 316 T N -0.425 114.149 114.554 0.033 0.000 2.821 316 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 316 T C 2.170 176.838 174.700 -0.053 0.000 1.046 316 T CA 1.678 63.798 62.100 0.032 0.000 1.139 316 T CB -1.125 67.887 68.868 0.240 0.000 0.871 316 T HN 0.203 nan 8.240 nan 0.000 0.454 317 G N 1.184 109.993 108.800 0.014 0.000 2.418 317 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 317 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 317 G C 1.687 176.581 174.900 -0.010 0.000 1.158 317 G CA 0.738 45.818 45.100 -0.035 0.000 0.771 317 G HN 0.431 nan 8.290 nan 0.000 0.545 318 V N 0.790 120.761 119.914 0.096 0.000 2.392 318 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 318 V C 2.819 178.846 176.094 -0.113 0.000 1.059 318 V CA 2.258 64.627 62.300 0.115 0.000 1.051 318 V CB -0.378 31.583 31.823 0.229 0.000 0.658 318 V HN 0.389 nan 8.190 nan 0.000 0.455 319 K N -0.420 119.766 120.400 -0.357 0.000 2.025 319 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 319 K C 2.114 178.019 176.600 -1.157 0.000 1.049 319 K CA 1.375 57.141 56.287 -0.870 0.000 0.933 319 K CB -0.470 31.338 32.500 -1.153 0.000 0.714 319 K HN 0.328 nan 8.250 nan 0.000 0.438 320 V N 1.166 120.633 119.914 -0.745 0.000 2.255 320 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 320 V C 2.043 177.993 176.094 -0.240 0.000 1.051 320 V CA 1.844 63.918 62.300 -0.376 0.000 1.018 320 V CB -0.562 31.063 31.823 -0.329 0.000 0.641 320 V HN 0.214 nan 8.190 nan 0.000 0.445 321 F N 0.034 119.947 119.950 -0.063 0.000 2.293 321 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 321 F C 2.572 178.307 175.800 -0.109 0.000 1.086 321 F CA 1.131 59.100 58.000 -0.052 0.000 1.375 321 F CB -0.316 38.653 39.000 -0.052 0.000 1.045 321 F HN 0.063 nan 8.300 nan 0.000 0.516 322 S N -1.027 114.669 115.700 -0.007 0.000 2.406 322 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 322 S C 1.682 176.336 174.600 0.091 0.000 1.020 322 S CA 0.587 58.807 58.200 0.032 0.000 0.965 322 S CB -0.267 62.960 63.200 0.045 0.000 0.798 322 S HN 0.402 nan 8.310 nan 0.000 0.488 323 W N 1.930 123.273 121.300 0.072 0.000 2.388 323 W HA 0.132 4.792 4.660 -0.000 0.000 0.294 323 W C 1.821 178.372 176.519 0.052 0.000 1.212 323 W CA 0.244 57.627 57.345 0.064 0.000 1.271 323 W CB -1.129 28.364 29.460 0.054 0.000 1.126 323 W HN 0.307 nan 8.180 nan 0.000 0.535 324 L N -0.024 121.364 121.223 0.274 0.000 2.093 324 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 324 L C 2.528 179.438 176.870 0.066 0.000 1.085 324 L CA 1.309 56.253 54.840 0.174 0.000 0.755 324 L CB -1.294 40.877 42.059 0.187 0.000 0.904 324 L HN -0.161 nan 8.230 nan 0.000 0.435 325 A N -0.572 122.206 122.820 -0.070 0.000 2.119 325 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 325 A C 2.287 179.845 177.584 -0.044 0.000 1.153 325 A CA 1.645 53.495 52.037 -0.312 0.000 0.692 325 A CB -0.569 17.726 19.000 -1.175 0.000 0.799 325 A HN 0.345 nan 8.150 nan 0.000 0.458 326 T N 0.230 114.858 114.554 0.123 0.000 2.896 326 T HA 0.030 4.380 4.350 -0.000 0.000 0.263 326 T C 1.736 176.514 174.700 0.130 0.000 1.050 326 T CA 1.067 63.288 62.100 0.202 0.000 1.140 326 T CB -0.255 68.766 68.868 0.254 0.000 0.877 326 T HN 0.381 nan 8.240 nan 0.000 0.457 327 L N 0.171 121.461 121.223 0.112 0.000 2.093 327 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 327 L C 1.310 178.221 176.870 0.068 0.000 1.085 327 L CA 0.493 55.367 54.840 0.058 0.000 0.755 327 L CB -0.669 41.419 42.059 0.049 0.000 0.904 327 L HN 0.313 nan 8.230 nan 0.000 0.435 328 H N 0.760 119.826 119.070 -0.007 0.000 3.157 328 H HA 0.159 4.715 4.556 -0.000 0.000 0.299 328 H C 1.129 176.458 175.328 0.001 0.000 0.961 328 H CA 0.380 56.420 56.048 -0.013 0.000 1.428 328 H CB 0.191 29.926 29.762 -0.044 0.000 1.459 328 H HN 0.313 nan 8.280 nan 0.000 0.566 329 G N 2.988 111.551 108.800 -0.394 0.000 2.162 329 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 329 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 329 G C 0.677 175.490 174.900 -0.146 0.000 0.976 329 G CA 0.351 45.253 45.100 -0.330 0.000 0.655 329 G HN 1.029 nan 8.290 nan 0.000 0.533 330 G N -0.507 108.235 108.800 -0.097 0.000 2.507 330 G HA2 0.439 4.399 3.960 -0.000 0.000 0.271 330 G HA3 0.439 4.399 3.960 -0.000 0.000 0.271 330 G C 0.068 174.920 174.900 -0.081 0.000 1.189 330 G CA 0.114 45.167 45.100 -0.078 0.000 0.859 330 G HN 0.522 nan 8.290 nan 0.000 0.542 331 N N 1.321 119.973 118.700 -0.081 0.000 2.719 331 N HA 0.042 4.782 4.740 -0.000 0.000 0.243 331 N C 0.348 175.804 175.510 -0.091 0.000 1.104 331 N CA -0.664 52.345 53.050 -0.068 0.000 0.981 331 N CB -0.106 38.342 38.487 -0.065 0.000 1.290 331 N HN 0.148 nan 8.380 nan 0.000 0.513 332 I N 1.653 122.150 120.570 -0.121 0.000 2.662 332 I HA -0.048 4.122 4.170 -0.000 0.000 0.285 332 I C 0.828 176.814 176.117 -0.218 0.000 1.161 332 I CA 0.105 61.255 61.300 -0.250 0.000 1.415 332 I CB -0.403 37.315 38.000 -0.469 0.000 1.385 332 I HN 0.401 nan 8.210 nan 0.000 0.552 333 K N 7.237 127.543 120.400 -0.156 0.000 2.292 333 K HA 0.194 4.514 4.320 -0.000 0.000 0.270 333 K C -0.837 175.711 176.600 -0.088 0.000 1.062 333 K CA -0.244 56.041 56.287 -0.004 0.000 0.916 333 K CB 0.191 32.790 32.500 0.164 0.000 1.166 333 K HN 0.360 nan 8.250 nan 0.000 0.458 334 W N 4.739 126.012 121.300 -0.046 0.000 1.435 334 W HA 0.094 4.754 4.660 -0.000 0.000 0.471 334 W C 0.313 176.726 176.519 -0.176 0.000 0.590 334 W CA -0.483 56.790 57.345 -0.120 0.000 2.419 334 W CB -0.431 28.968 29.460 -0.102 0.000 1.251 334 W HN 0.549 nan 8.180 nan 0.000 0.338 335 S N -0.321 115.301 115.700 -0.128 0.000 2.614 335 S HA 0.305 4.775 4.470 -0.000 0.000 0.265 335 S C -1.459 172.980 174.600 -0.268 0.000 1.303 335 S CA -1.154 56.907 58.200 -0.231 0.000 1.000 335 S CB 1.535 64.416 63.200 -0.531 0.000 0.935 335 S HN -0.031 nan 8.310 nan 0.000 0.551 336 P HA -0.034 nan 4.420 nan 0.000 0.215 336 P C 1.575 178.821 177.300 -0.090 0.000 1.153 336 P CA 1.887 64.922 63.100 -0.109 0.000 0.853 336 P CB -0.265 31.488 31.700 0.087 0.000 0.788 337 A N -0.878 121.867 122.820 -0.126 0.000 1.933 337 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 337 A C 2.222 179.681 177.584 -0.207 0.000 1.175 337 A CA 2.110 54.104 52.037 -0.072 0.000 0.628 337 A CB -1.436 17.483 19.000 -0.134 0.000 0.814 337 A HN 0.123 nan 8.150 nan 0.000 0.444 338 M N -0.560 118.738 119.600 -0.502 0.000 2.175 338 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 338 M C 2.021 178.159 176.300 -0.270 0.000 1.063 338 M CA 1.717 56.801 55.300 -0.359 0.000 1.119 338 M CB -0.598 31.738 32.600 -0.438 0.000 1.377 338 M HN 0.422 nan 8.290 nan 0.000 0.415 339 M N -1.860 117.498 119.600 -0.403 0.000 2.117 339 M HA -0.221 4.259 4.480 -0.000 0.000 0.262 339 M C 1.957 177.835 176.300 -0.703 0.000 1.065 339 M CA 1.949 56.809 55.300 -0.733 0.000 1.114 339 M CB -0.676 31.145 32.600 -1.298 0.000 1.361 339 M HN 0.388 nan 8.290 nan 0.000 0.408 340 W N 0.185 121.254 121.300 -0.385 0.000 2.358 340 W HA -0.160 4.500 4.660 -0.000 0.000 0.303 340 W C 2.708 179.374 176.519 0.246 0.000 1.208 340 W CA 1.142 58.521 57.345 0.058 0.000 1.274 340 W CB -0.417 29.064 29.460 0.036 0.000 1.138 340 W HN 0.233 nan 8.180 nan 0.000 0.515 341 A N -0.061 122.915 122.820 0.261 0.000 1.898 341 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 341 A C 1.921 179.632 177.584 0.212 0.000 1.181 341 A CA 1.318 53.445 52.037 0.150 0.000 0.620 341 A CB -0.934 18.037 19.000 -0.049 0.000 0.819 341 A HN 0.290 nan 8.150 nan 0.000 0.442 342 L N -0.822 120.490 121.223 0.149 0.000 2.093 342 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 342 L C 2.823 179.907 176.870 0.357 0.000 1.085 342 L CA 0.986 55.934 54.840 0.180 0.000 0.755 342 L CB -0.768 41.333 42.059 0.070 0.000 0.904 342 L HN 0.484 nan 8.230 nan 0.000 0.435 343 G N -0.203 108.896 108.800 0.497 0.000 2.418 343 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 343 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 343 G C 1.480 176.731 174.900 0.585 0.000 1.158 343 G CA 0.579 46.133 45.100 0.757 0.000 0.771 343 G HN 0.287 nan 8.290 nan 0.000 0.545 344 F N 1.620 121.863 119.950 0.488 0.000 2.046 344 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 344 F C 2.520 178.477 175.800 0.262 0.000 1.123 344 F CA 1.539 59.724 58.000 0.309 0.000 1.199 344 F CB -0.322 38.825 39.000 0.244 0.000 0.972 344 F HN 0.108 nan 8.300 nan 0.000 0.474 345 I N -0.677 120.198 120.570 0.509 0.000 2.151 345 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 345 I C 2.382 178.713 176.117 0.357 0.000 1.080 345 I CA 1.828 63.387 61.300 0.431 0.000 1.339 345 I CB -0.697 37.531 38.000 0.381 0.000 1.039 345 I HN 0.259 nan 8.210 nan 0.000 0.409 346 F N 1.497 121.571 119.950 0.206 0.000 2.098 346 F HA -0.108 4.419 4.527 -0.000 0.000 0.294 346 F C 2.210 178.077 175.800 0.111 0.000 1.107 346 F CA 1.509 59.610 58.000 0.168 0.000 1.234 346 F CB -0.384 38.741 39.000 0.208 0.000 1.002 346 F HN -0.150 nan 8.300 nan 0.000 0.472 347 L N -0.992 120.191 121.223 -0.066 0.000 2.083 347 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 347 L C 2.460 179.205 176.870 -0.208 0.000 1.083 347 L CA 1.474 56.193 54.840 -0.203 0.000 0.752 347 L CB -0.999 40.900 42.059 -0.267 0.000 0.899 347 L HN 0.230 nan 8.230 nan 0.000 0.433 348 F N 0.923 120.639 119.950 -0.391 0.000 2.134 348 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 348 F C 2.447 178.146 175.800 -0.170 0.000 1.097 348 F CA 1.906 59.682 58.000 -0.373 0.000 1.264 348 F CB -0.352 38.244 39.000 -0.673 0.000 1.001 348 F HN -0.095 nan 8.300 nan 0.000 0.479 349 T N 0.278 114.747 114.554 -0.142 0.000 2.720 349 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 349 T C 2.150 176.665 174.700 -0.308 0.000 1.037 349 T CA 1.646 63.645 62.100 -0.169 0.000 1.144 349 T CB -0.628 68.237 68.868 -0.005 0.000 0.864 349 T HN 0.140 nan 8.240 nan 0.000 0.444 350 V N 1.311 120.982 119.914 -0.405 0.000 2.261 350 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 350 V C 2.867 178.731 176.094 -0.382 0.000 1.047 350 V CA 2.124 64.152 62.300 -0.452 0.000 1.015 350 V CB -1.340 30.095 31.823 -0.647 0.000 0.642 350 V HN 0.598 nan 8.190 nan 0.000 0.446 351 G N -0.303 108.287 108.800 -0.350 0.000 2.418 351 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 351 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 351 G C 1.622 176.408 174.900 -0.190 0.000 1.158 351 G CA 0.933 45.881 45.100 -0.254 0.000 0.771 351 G HN 0.599 nan 8.290 nan 0.000 0.545 352 G N 0.904 109.450 108.800 -0.422 0.000 2.418 352 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 352 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 352 G C 1.799 176.622 174.900 -0.127 0.000 1.158 352 G CA 0.717 45.627 45.100 -0.318 0.000 0.771 352 G HN 0.423 nan 8.290 nan 0.000 0.545 353 L N 1.184 122.320 121.223 -0.146 0.000 2.141 353 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 353 L C 3.275 180.111 176.870 -0.057 0.000 1.094 353 L CA 1.648 56.435 54.840 -0.088 0.000 0.763 353 L CB -0.623 41.378 42.059 -0.096 0.000 0.908 353 L HN 0.419 nan 8.230 nan 0.000 0.437 354 T N -3.890 110.636 114.554 -0.047 0.000 2.995 354 T HA -0.040 4.310 4.350 -0.000 0.000 0.269 354 T C 1.908 176.578 174.700 -0.050 0.000 1.091 354 T CA 0.772 62.886 62.100 0.023 0.000 1.128 354 T CB -0.550 68.286 68.868 -0.054 0.000 0.891 354 T HN 0.368 nan 8.240 nan 0.000 0.492 355 G N 1.665 110.372 108.800 -0.155 0.000 2.408 355 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.217 355 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.217 355 G C 1.446 176.202 174.900 -0.240 0.000 1.150 355 G CA 0.417 45.221 45.100 -0.493 0.000 0.776 355 G HN 0.445 nan 8.290 nan 0.000 0.542 356 I N 0.927 121.430 120.570 -0.111 0.000 2.394 356 I HA -0.066 4.104 4.170 -0.000 0.000 0.251 356 I C 2.852 178.928 176.117 -0.067 0.000 1.136 356 I CA 0.599 61.857 61.300 -0.070 0.000 1.425 356 I CB -0.677 37.303 38.000 -0.033 0.000 1.079 356 I HN 0.028 nan 8.210 nan 0.000 0.425 357 V N 0.969 120.853 119.914 -0.050 0.000 2.307 357 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 357 V C 2.517 178.559 176.094 -0.086 0.000 1.045 357 V CA 1.404 63.676 62.300 -0.047 0.000 1.024 357 V CB -0.481 31.352 31.823 0.017 0.000 0.651 357 V HN 0.307 nan 8.190 nan 0.000 0.449 358 L N 0.172 121.337 121.223 -0.097 0.000 2.201 358 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 358 L C 2.646 179.471 176.870 -0.076 0.000 1.105 358 L CA 1.165 55.935 54.840 -0.117 0.000 0.775 358 L CB -0.741 41.202 42.059 -0.194 0.000 0.913 358 L HN 0.350 nan 8.230 nan 0.000 0.440 359 A N -0.311 122.452 122.820 -0.096 0.000 1.978 359 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 359 A C 1.044 178.666 177.584 0.062 0.000 1.170 359 A CA 1.033 53.069 52.037 -0.000 0.000 0.636 359 A CB -0.596 18.382 19.000 -0.037 0.000 0.810 359 A HN 0.437 nan 8.150 nan 0.000 0.448 360 N N 1.248 119.919 118.700 -0.049 0.000 2.402 360 N HA 0.078 4.818 4.740 -0.000 0.000 0.259 360 N C 1.262 176.624 175.510 -0.247 0.000 1.167 360 N CA 0.712 53.682 53.050 -0.132 0.000 0.949 360 N CB 1.055 39.474 38.487 -0.113 0.000 1.212 360 N HN 0.559 nan 8.380 nan 0.000 0.493 361 S N 1.442 116.804 115.700 -0.562 0.000 2.402 361 S HA -0.201 4.269 4.470 -0.000 0.000 0.233 361 S C 1.856 176.200 174.600 -0.428 0.000 1.030 361 S CA 1.231 58.868 58.200 -0.939 0.000 1.003 361 S CB -0.106 62.170 63.200 -1.540 0.000 0.813 361 S HN 0.418 nan 8.310 nan 0.000 0.477 362 S N 2.056 117.581 115.700 -0.292 0.000 2.359 362 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 362 S C 1.824 176.340 174.600 -0.139 0.000 1.035 362 S CA 1.565 59.658 58.200 -0.179 0.000 1.018 362 S CB -0.569 62.548 63.200 -0.138 0.000 0.876 362 S HN 0.485 nan 8.310 nan 0.000 0.448 363 L N 0.855 121.993 121.223 -0.141 0.000 2.156 363 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 363 L C 2.227 179.028 176.870 -0.116 0.000 1.095 363 L CA 1.105 55.867 54.840 -0.131 0.000 0.770 363 L CB -0.455 41.512 42.059 -0.152 0.000 0.914 363 L HN 0.271 nan 8.230 nan 0.000 0.439 364 D N 0.168 120.512 120.400 -0.093 0.000 2.218 364 D HA -0.192 4.448 4.640 -0.000 0.000 0.204 364 D C 2.123 178.447 176.300 0.040 0.000 0.976 364 D CA 0.765 54.764 54.000 -0.002 0.000 0.853 364 D CB 0.231 41.109 40.800 0.130 0.000 0.939 364 D HN 0.068 nan 8.370 nan 0.000 0.481 365 I N 0.277 120.838 120.570 -0.014 0.000 2.208 365 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 365 I C 2.268 178.407 176.117 0.037 0.000 1.097 365 I CA 0.846 62.155 61.300 0.015 0.000 1.363 365 I CB -1.142 36.845 38.000 -0.023 0.000 1.051 365 I HN 0.075 nan 8.210 nan 0.000 0.413 366 V N 0.280 120.191 119.914 -0.006 0.000 2.649 366 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 366 V C 2.318 178.400 176.094 -0.019 0.000 1.054 366 V CA 0.929 63.222 62.300 -0.012 0.000 1.073 366 V CB -0.374 31.424 31.823 -0.040 0.000 0.699 366 V HN 0.293 nan 8.190 nan 0.000 0.463 367 L N -1.034 120.163 121.223 -0.044 0.000 2.446 367 L HA 0.167 4.507 4.340 -0.000 0.000 0.219 367 L C 1.287 178.169 176.870 0.020 0.000 1.116 367 L CA 0.040 54.844 54.840 -0.060 0.000 0.844 367 L CB -0.453 41.482 42.059 -0.206 0.000 0.970 367 L HN 0.372 nan 8.230 nan 0.000 0.457 368 H N 1.151 120.215 119.070 -0.009 0.000 2.972 368 H HA -0.091 4.465 4.556 -0.000 0.000 0.343 368 H C 0.477 175.818 175.328 0.021 0.000 1.054 368 H CA 0.523 56.582 56.048 0.017 0.000 1.412 368 H CB 0.203 29.986 29.762 0.035 0.000 1.385 368 H HN 0.108 nan 8.280 nan 0.000 0.600 369 D N 2.091 122.009 120.400 -0.803 0.000 2.837 369 D HA -0.206 4.434 4.640 -0.000 0.000 0.230 369 D C -0.350 175.803 176.300 -0.245 0.000 1.152 369 D CA 1.448 55.141 54.000 -0.513 0.000 0.736 369 D CB -0.850 39.678 40.800 -0.453 0.000 1.084 369 D HN 0.759 nan 8.370 nan 0.000 0.429 370 T N -4.261 110.190 114.554 -0.172 0.000 2.910 370 T HA 0.431 4.781 4.350 -0.000 0.000 0.287 370 T C 1.012 175.646 174.700 -0.109 0.000 1.050 370 T CA -0.731 61.306 62.100 -0.104 0.000 1.011 370 T CB 0.892 69.744 68.868 -0.027 0.000 1.195 370 T HN -0.055 nan 8.240 nan 0.000 0.540 371 Y N -0.585 119.649 120.300 -0.111 0.000 2.639 371 Y HA 0.047 4.597 4.550 -0.000 0.000 0.297 371 Y C 1.929 177.754 175.900 -0.125 0.000 1.151 371 Y CA 0.694 58.719 58.100 -0.125 0.000 1.335 371 Y CB -0.402 37.960 38.460 -0.163 0.000 0.994 371 Y HN 0.810 nan 8.280 nan 0.000 0.548 372 Y N -1.030 119.220 120.300 -0.083 0.000 2.293 372 Y HA -0.201 4.349 4.550 -0.000 0.000 0.291 372 Y C 2.083 177.918 175.900 -0.109 0.000 1.137 372 Y CA 1.200 59.237 58.100 -0.105 0.000 1.202 372 Y CB -0.197 38.229 38.460 -0.057 0.000 0.990 372 Y HN -0.090 nan 8.280 nan 0.000 0.537 373 V N -1.349 118.606 119.914 0.069 0.000 2.379 373 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 373 V C 2.218 178.220 176.094 -0.153 0.000 1.044 373 V CA 1.594 63.947 62.300 0.087 0.000 1.036 373 V CB -0.671 31.229 31.823 0.128 0.000 0.664 373 V HN 0.266 nan 8.190 nan 0.000 0.453 374 V N 0.537 120.205 119.914 -0.410 0.000 2.407 374 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 374 V C 2.674 178.364 176.094 -0.673 0.000 1.055 374 V CA 1.963 63.754 62.300 -0.847 0.000 1.049 374 V CB -1.129 30.291 31.823 -0.672 0.000 0.662 374 V HN 0.548 nan 8.190 nan 0.000 0.455 375 A N -0.160 122.387 122.820 -0.455 0.000 1.897 375 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 375 A C 2.124 179.473 177.584 -0.392 0.000 1.181 375 A CA 2.023 53.768 52.037 -0.486 0.000 0.620 375 A CB -0.793 17.609 19.000 -0.995 0.000 0.821 375 A HN 0.744 nan 8.150 nan 0.000 0.443 376 H N 0.319 119.127 119.070 -0.436 0.000 2.267 376 H HA -0.223 4.333 4.556 -0.000 0.000 0.297 376 H C 1.670 176.916 175.328 -0.136 0.000 1.080 376 H CA 2.508 58.408 56.048 -0.248 0.000 1.278 376 H CB -0.778 28.897 29.762 -0.145 0.000 1.365 376 H HN 0.594 nan 8.280 nan 0.000 0.489 377 F N -1.497 118.116 119.950 -0.562 0.000 2.502 377 F HA 0.077 4.604 4.527 -0.000 0.000 0.298 377 F C 1.776 177.205 175.800 -0.618 0.000 1.111 377 F CA 0.749 58.357 58.000 -0.653 0.000 1.445 377 F CB -0.655 38.098 39.000 -0.411 0.000 1.081 377 F HN 0.169 nan 8.300 nan 0.000 0.558 378 H N -1.569 117.115 119.070 -0.643 0.000 2.502 378 H HA 0.017 4.573 4.556 -0.000 0.000 0.283 378 H C 1.280 176.159 175.328 -0.749 0.000 1.015 378 H CA 1.761 57.292 56.048 -0.861 0.000 1.298 378 H CB -0.205 28.490 29.762 -1.779 0.000 1.411 378 H HN 0.317 nan 8.280 nan 0.000 0.556 379 Y N -0.366 119.646 120.300 -0.481 0.000 2.177 379 Y HA -0.174 4.376 4.550 -0.000 0.000 0.291 379 Y C 2.548 178.226 175.900 -0.369 0.000 1.117 379 Y CA 1.295 59.165 58.100 -0.383 0.000 1.114 379 Y CB -0.343 37.920 38.460 -0.328 0.000 1.017 379 Y HN 0.077 nan 8.280 nan 0.000 0.505 380 V N -1.766 117.989 119.914 -0.265 0.000 2.379 380 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 380 V C 1.958 177.976 176.094 -0.127 0.000 1.044 380 V CA 1.643 63.795 62.300 -0.246 0.000 1.036 380 V CB -1.059 30.556 31.823 -0.347 0.000 0.664 380 V HN 0.334 nan 8.190 nan 0.000 0.453 381 L N 0.827 121.922 121.223 -0.212 0.000 2.116 381 L HA 0.162 4.502 4.340 -0.000 0.000 0.200 381 L C 2.550 179.319 176.870 -0.168 0.000 1.084 381 L CA 2.189 56.916 54.840 -0.189 0.000 0.766 381 L CB -0.743 41.160 42.059 -0.261 0.000 0.930 381 L HN 0.293 nan 8.230 nan 0.000 0.453 382 S N -0.012 115.538 115.700 -0.251 0.000 2.344 382 S HA -0.212 4.258 4.470 -0.000 0.000 0.217 382 S C 1.943 176.516 174.600 -0.045 0.000 1.033 382 S CA 2.172 60.270 58.200 -0.171 0.000 1.017 382 S CB -0.488 62.570 63.200 -0.237 0.000 0.941 382 S HN 0.408 nan 8.310 nan 0.000 0.430 383 M N 1.177 120.688 119.600 -0.147 0.000 2.086 383 M HA -0.040 4.440 4.480 -0.000 0.000 0.261 383 M C 2.568 178.889 176.300 0.035 0.000 1.067 383 M CA 1.539 56.780 55.300 -0.099 0.000 1.116 383 M CB -1.113 31.186 32.600 -0.501 0.000 1.348 383 M HN 0.497 nan 8.290 nan 0.000 0.407 384 G N 0.176 108.947 108.800 -0.048 0.000 2.514 384 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 384 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 384 G C 1.610 176.759 174.900 0.414 0.000 1.198 384 G CA 1.300 46.442 45.100 0.070 0.000 0.780 384 G HN 0.548 nan 8.290 nan 0.000 0.565 385 A N -0.308 122.651 122.820 0.231 0.000 1.873 385 A HA 0.117 4.437 4.320 -0.000 0.000 0.215 385 A C 2.628 180.341 177.584 0.215 0.000 1.186 385 A CA 1.899 54.050 52.037 0.189 0.000 0.616 385 A CB -0.681 18.346 19.000 0.045 0.000 0.823 385 A HN 0.295 nan 8.150 nan 0.000 0.442 386 V N -1.263 118.788 119.914 0.228 0.000 2.343 386 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 386 V C 2.300 178.540 176.094 0.243 0.000 1.051 386 V CA 1.950 64.377 62.300 0.213 0.000 1.036 386 V CB -0.887 31.076 31.823 0.232 0.000 0.654 386 V HN 0.611 nan 8.190 nan 0.000 0.451 387 F N 0.247 120.333 119.950 0.227 0.000 2.186 387 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 387 F C 2.432 178.377 175.800 0.242 0.000 1.090 387 F CA 1.067 59.296 58.000 0.380 0.000 1.307 387 F CB -0.377 39.013 39.000 0.651 0.000 1.019 387 F HN 0.124 nan 8.300 nan 0.000 0.489 388 A N 0.341 123.408 122.820 0.412 0.000 1.898 388 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 388 A C 2.127 179.705 177.584 -0.010 0.000 1.181 388 A CA 1.355 53.442 52.037 0.085 0.000 0.620 388 A CB -0.955 18.031 19.000 -0.023 0.000 0.819 388 A HN 0.387 nan 8.150 nan 0.000 0.442 389 I N -0.749 119.849 120.570 0.046 0.000 2.226 389 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 389 I C 2.566 178.701 176.117 0.030 0.000 1.100 389 I CA 1.102 62.457 61.300 0.091 0.000 1.374 389 I CB -0.236 37.860 38.000 0.160 0.000 1.057 389 I HN 0.258 nan 8.210 nan 0.000 0.413 390 M N 0.190 119.627 119.600 -0.271 0.000 2.132 390 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 390 M C 2.428 178.423 176.300 -0.509 0.000 1.065 390 M CA 1.758 56.673 55.300 -0.642 0.000 1.122 390 M CB -1.988 29.522 32.600 -1.818 0.000 1.365 390 M HN 0.288 nan 8.290 nan 0.000 0.411 391 G N -0.182 108.404 108.800 -0.357 0.000 2.446 391 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 391 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 391 G C 1.594 176.485 174.900 -0.014 0.000 1.168 391 G CA 1.124 46.202 45.100 -0.036 0.000 0.771 391 G HN 0.552 nan 8.290 nan 0.000 0.551 392 G N 0.109 108.881 108.800 -0.048 0.000 2.408 392 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 392 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 392 G C 1.612 176.727 174.900 0.359 0.000 1.150 392 G CA 0.838 45.933 45.100 -0.007 0.000 0.776 392 G HN 0.356 nan 8.290 nan 0.000 0.542 393 F N 1.787 121.943 119.950 0.344 0.000 2.075 393 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 393 F C 2.761 178.700 175.800 0.232 0.000 1.113 393 F CA 2.031 60.303 58.000 0.454 0.000 1.218 393 F CB -0.353 38.830 39.000 0.305 0.000 0.984 393 F HN 0.066 nan 8.300 nan 0.000 0.472 394 V N -1.287 118.765 119.914 0.230 0.000 2.515 394 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 394 V C 2.365 178.485 176.094 0.044 0.000 1.058 394 V CA 2.393 64.757 62.300 0.106 0.000 1.064 394 V CB -1.324 30.629 31.823 0.217 0.000 0.675 394 V HN 0.538 nan 8.190 nan 0.000 0.461 395 H N -0.838 118.178 119.070 -0.089 0.000 2.357 395 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 395 H C 1.802 176.958 175.328 -0.288 0.000 1.082 395 H CA 2.427 58.329 56.048 -0.243 0.000 1.342 395 H CB -0.186 29.252 29.762 -0.539 0.000 1.389 395 H HN 0.575 nan 8.280 nan 0.000 0.511 396 W N -0.525 120.552 121.300 -0.372 0.000 3.278 396 W HA 0.058 4.718 4.660 -0.000 0.000 0.308 396 W C 1.475 177.252 176.519 -1.237 0.000 1.253 396 W CA -0.348 56.429 57.345 -0.947 0.000 1.759 396 W CB -0.752 27.969 29.460 -1.231 0.000 1.093 396 W HN 0.207 nan 8.180 nan 0.000 0.648 397 F N 2.829 122.330 119.950 -0.747 0.000 2.120 397 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 397 F C -0.738 174.783 175.800 -0.466 0.000 1.095 397 F CA 1.937 59.500 58.000 -0.728 0.000 1.249 397 F CB -1.339 37.230 39.000 -0.719 0.000 0.995 397 F HN -0.246 nan 8.300 nan 0.000 0.480 398 P HA -0.163 nan 4.420 nan 0.000 0.218 398 P C 1.732 178.883 177.300 -0.248 0.000 1.149 398 P CA 1.134 64.122 63.100 -0.188 0.000 0.817 398 P CB -0.078 31.669 31.700 0.078 0.000 0.785 399 L N -1.456 119.518 121.223 -0.416 0.000 2.027 399 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 399 L C 2.003 178.600 176.870 -0.456 0.000 1.074 399 L CA 2.005 56.511 54.840 -0.556 0.000 0.745 399 L CB -1.417 39.941 42.059 -1.169 0.000 0.898 399 L HN -0.163 nan 8.230 nan 0.000 0.433 400 F N -0.173 119.275 119.950 -0.837 0.000 2.134 400 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 400 F C 2.838 178.318 175.800 -0.533 0.000 1.097 400 F CA 1.141 58.512 58.000 -1.048 0.000 1.264 400 F CB -1.733 36.598 39.000 -1.115 0.000 1.001 400 F HN 0.414 nan 8.300 nan 0.000 0.479 401 S N -1.584 113.835 115.700 -0.468 0.000 2.499 401 S HA 0.414 4.884 4.470 -0.000 0.000 0.225 401 S C 1.842 176.143 174.600 -0.498 0.000 1.050 401 S CA 0.557 58.499 58.200 -0.431 0.000 0.928 401 S CB 0.373 63.083 63.200 -0.817 0.000 0.803 401 S HN 0.542 nan 8.310 nan 0.000 0.506 402 G N -0.059 108.461 108.800 -0.467 0.000 2.175 402 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 402 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 402 G C -0.248 174.380 174.900 -0.453 0.000 0.982 402 G CA 0.299 45.140 45.100 -0.432 0.000 0.641 402 G HN 0.530 nan 8.290 nan 0.000 0.527 403 Y N 0.875 121.059 120.300 -0.193 0.000 2.549 403 Y HA 0.705 5.255 4.550 -0.000 0.000 0.339 403 Y C 0.871 176.754 175.900 -0.029 0.000 1.053 403 Y CA -0.625 57.410 58.100 -0.109 0.000 1.105 403 Y CB 1.621 40.005 38.460 -0.126 0.000 1.258 403 Y HN 0.309 nan 8.280 nan 0.000 0.478 404 T N -0.222 114.462 114.554 0.217 0.000 2.943 404 T HA 0.777 5.127 4.350 -0.000 0.000 0.284 404 T C -0.362 174.419 174.700 0.136 0.000 1.015 404 T CA -0.827 61.372 62.100 0.165 0.000 1.042 404 T CB 0.842 69.768 68.868 0.097 0.000 1.055 404 T HN 0.489 nan 8.240 nan 0.000 0.500 405 L N 1.630 122.907 121.223 0.089 0.000 2.448 405 L HA 0.463 4.803 4.340 -0.000 0.000 0.258 405 L C 0.944 177.838 176.870 0.039 0.000 1.104 405 L CA -1.237 53.592 54.840 -0.019 0.000 0.800 405 L CB 0.575 42.587 42.059 -0.079 0.000 1.241 405 L HN 0.704 nan 8.230 nan 0.000 0.472 406 N N 0.534 119.277 118.700 0.071 0.000 2.406 406 N HA 0.003 4.743 4.740 -0.000 0.000 0.251 406 N C 0.019 175.625 175.510 0.160 0.000 1.069 406 N CA -0.093 53.045 53.050 0.147 0.000 0.947 406 N CB 1.246 39.919 38.487 0.309 0.000 1.111 406 N HN 0.515 nan 8.380 nan 0.000 0.497 407 D N 2.285 122.748 120.400 0.106 0.000 2.149 407 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 407 D C 1.202 177.563 176.300 0.101 0.000 0.990 407 D CA 1.557 55.613 54.000 0.094 0.000 0.839 407 D CB 0.179 41.013 40.800 0.057 0.000 0.948 407 D HN 0.573 nan 8.370 nan 0.000 0.460 408 T N -0.802 113.791 114.554 0.066 0.000 2.708 408 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 408 T C 1.754 176.506 174.700 0.087 0.000 1.037 408 T CA 0.992 63.095 62.100 0.004 0.000 1.146 408 T CB -0.557 68.240 68.868 -0.119 0.000 0.865 408 T HN 0.341 nan 8.240 nan 0.000 0.435 409 W N 1.293 122.657 121.300 0.107 0.000 2.338 409 W HA -0.048 4.612 4.660 -0.000 0.000 0.304 409 W C 2.846 179.476 176.519 0.185 0.000 1.212 409 W CA 0.530 57.969 57.345 0.157 0.000 1.264 409 W CB -0.275 29.290 29.460 0.175 0.000 1.142 409 W HN 0.222 nan 8.180 nan 0.000 0.512 410 A N 0.301 123.363 122.820 0.403 0.000 1.969 410 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 410 A C 1.813 179.601 177.584 0.341 0.000 1.169 410 A CA 1.647 53.912 52.037 0.381 0.000 0.635 410 A CB -0.534 18.641 19.000 0.293 0.000 0.810 410 A HN 0.301 nan 8.150 nan 0.000 0.445 411 K N -0.497 120.031 120.400 0.213 0.000 2.155 411 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 411 K C 1.682 178.388 176.600 0.178 0.000 1.052 411 K CA 1.202 57.566 56.287 0.128 0.000 0.948 411 K CB -0.274 32.254 32.500 0.046 0.000 0.728 411 K HN 0.510 nan 8.250 nan 0.000 0.448 412 I N 0.658 121.359 120.570 0.218 0.000 2.252 412 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 412 I C 2.699 178.972 176.117 0.261 0.000 1.102 412 I CA 1.257 62.689 61.300 0.220 0.000 1.385 412 I CB -0.403 37.766 38.000 0.283 0.000 1.064 412 I HN 0.334 nan 8.210 nan 0.000 0.414 413 H N 0.804 120.035 119.070 0.269 0.000 2.319 413 H HA -0.280 4.276 4.556 -0.000 0.000 0.299 413 H C 2.294 177.732 175.328 0.183 0.000 1.092 413 H CA 2.227 58.435 56.048 0.267 0.000 1.302 413 H CB -0.190 29.779 29.762 0.345 0.000 1.373 413 H HN 0.335 nan 8.280 nan 0.000 0.497 414 F N 1.588 121.386 119.950 -0.254 0.000 2.095 414 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 414 F C 2.652 178.206 175.800 -0.409 0.000 1.104 414 F CA 1.795 59.325 58.000 -0.783 0.000 1.232 414 F CB -0.834 37.575 39.000 -0.985 0.000 0.987 414 F HN 0.230 nan 8.300 nan 0.000 0.475 415 A N 0.980 123.632 122.820 -0.281 0.000 1.883 415 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 415 A C 2.321 179.802 177.584 -0.172 0.000 1.186 415 A CA 2.209 54.100 52.037 -0.243 0.000 0.624 415 A CB -1.331 17.655 19.000 -0.024 0.000 0.822 415 A HN 0.533 nan 8.150 nan 0.000 0.444 416 I N -1.618 118.902 120.570 -0.083 0.000 2.179 416 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 416 I C 2.664 178.757 176.117 -0.041 0.000 1.088 416 I CA 1.977 63.269 61.300 -0.013 0.000 1.357 416 I CB -0.264 37.776 38.000 0.067 0.000 1.051 416 I HN 0.394 nan 8.210 nan 0.000 0.409 417 M N 0.280 119.806 119.600 -0.122 0.000 2.159 417 M HA -0.242 4.238 4.480 -0.000 0.000 0.263 417 M C 2.057 178.363 176.300 0.010 0.000 1.063 417 M CA 1.869 57.136 55.300 -0.054 0.000 1.110 417 M CB -0.528 32.026 32.600 -0.078 0.000 1.374 417 M HN 0.180 nan 8.290 nan 0.000 0.411 418 F N -0.621 119.136 119.950 -0.321 0.000 2.134 418 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 418 F C 1.889 177.657 175.800 -0.053 0.000 1.097 418 F CA 1.647 59.545 58.000 -0.170 0.000 1.264 418 F CB -0.430 38.242 39.000 -0.547 0.000 1.001 418 F HN -0.049 nan 8.300 nan 0.000 0.479 419 V N 0.025 119.960 119.914 0.035 0.000 2.307 419 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 419 V C 2.733 178.806 176.094 -0.035 0.000 1.045 419 V CA 1.895 64.198 62.300 0.006 0.000 1.024 419 V CB -1.560 30.290 31.823 0.044 0.000 0.651 419 V HN 0.515 nan 8.190 nan 0.000 0.449 420 G N 0.667 109.462 108.800 -0.008 0.000 2.459 420 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 420 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 420 G C 1.771 176.650 174.900 -0.035 0.000 1.183 420 G CA 1.746 46.845 45.100 -0.001 0.000 0.776 420 G HN 0.582 nan 8.290 nan 0.000 0.552 421 V N -0.742 119.173 119.914 0.001 0.000 2.427 421 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 421 V C 2.200 178.257 176.094 -0.061 0.000 1.051 421 V CA 2.148 64.471 62.300 0.039 0.000 1.048 421 V CB -0.599 31.309 31.823 0.141 0.000 0.666 421 V HN 0.272 nan 8.190 nan 0.000 0.456 422 N N 0.071 118.676 118.700 -0.159 0.000 2.270 422 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 422 N C 1.826 177.338 175.510 0.004 0.000 1.016 422 N CA 1.938 54.931 53.050 -0.096 0.000 0.870 422 N CB -0.152 38.200 38.487 -0.224 0.000 0.979 422 N HN 0.596 nan 8.380 nan 0.000 0.431 423 M N 0.718 120.293 119.600 -0.042 0.000 2.254 423 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 423 M C 1.538 177.785 176.300 -0.088 0.000 1.066 423 M CA 1.159 56.452 55.300 -0.013 0.000 1.123 423 M CB -0.009 32.585 32.600 -0.009 0.000 1.388 423 M HN -0.044 nan 8.290 nan 0.000 0.425 424 T N 0.226 114.636 114.554 -0.241 0.000 2.770 424 T HA -0.058 4.292 4.350 -0.000 0.000 0.263 424 T C 1.176 175.471 174.700 -0.675 0.000 1.039 424 T CA 1.558 63.336 62.100 -0.538 0.000 1.142 424 T CB -0.308 68.018 68.868 -0.903 0.000 0.868 424 T HN 0.411 nan 8.240 nan 0.000 0.435 425 F N -0.521 119.368 119.950 -0.103 0.000 2.582 425 F HA 0.314 4.841 4.527 -0.000 0.000 0.290 425 F C 1.825 177.613 175.800 -0.021 0.000 1.115 425 F CA -0.398 57.529 58.000 -0.122 0.000 1.445 425 F CB -0.318 38.539 39.000 -0.240 0.000 1.126 425 F HN 0.025 nan 8.300 nan 0.000 0.574 426 F N 2.611 122.638 119.950 0.128 0.000 2.126 426 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 426 F C -0.873 174.764 175.800 -0.273 0.000 1.096 426 F CA 1.207 59.250 58.000 0.073 0.000 1.255 426 F CB -1.601 37.420 39.000 0.035 0.000 0.997 426 F HN -0.145 nan 8.300 nan 0.000 0.479 427 P HA -0.174 nan 4.420 nan 0.000 0.222 427 P C 1.122 178.119 177.300 -0.504 0.000 1.147 427 P CA 1.537 64.364 63.100 -0.455 0.000 0.790 427 P CB -0.189 31.510 31.700 -0.001 0.000 0.780 428 Q N -1.827 117.736 119.800 -0.395 0.000 2.364 428 Q HA -0.188 4.152 4.340 -0.000 0.000 0.207 428 Q C 1.679 177.442 176.000 -0.395 0.000 0.970 428 Q CA 1.093 56.717 55.803 -0.298 0.000 0.888 428 Q CB -0.583 28.088 28.738 -0.111 0.000 0.951 428 Q HN 0.533 nan 8.270 nan 0.000 0.469 429 H N -0.785 117.899 119.070 -0.643 0.000 2.326 429 H HA -0.126 4.430 4.556 -0.000 0.000 0.301 429 H C 1.479 176.612 175.328 -0.325 0.000 1.081 429 H CA 1.575 57.235 56.048 -0.646 0.000 1.334 429 H CB 0.009 29.133 29.762 -1.063 0.000 1.385 429 H HN 0.186 nan 8.280 nan 0.000 0.504 430 F N 0.457 120.243 119.950 -0.275 0.000 2.102 430 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 430 F C 2.268 178.038 175.800 -0.051 0.000 1.105 430 F CA 0.918 58.758 58.000 -0.267 0.000 1.239 430 F CB -1.070 37.465 39.000 -0.774 0.000 0.991 430 F HN 0.081 nan 8.300 nan 0.000 0.474 431 L N -0.388 120.903 121.223 0.114 0.000 2.079 431 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 431 L C 2.703 179.605 176.870 0.053 0.000 1.081 431 L CA 1.425 56.321 54.840 0.093 0.000 0.752 431 L CB -1.356 40.632 42.059 -0.118 0.000 0.896 431 L HN 0.290 nan 8.230 nan 0.000 0.433 432 G N -0.112 108.747 108.800 0.098 0.000 2.394 432 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.214 432 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.214 432 G C 1.608 176.590 174.900 0.137 0.000 1.176 432 G CA 0.272 45.459 45.100 0.145 0.000 0.786 432 G HN 0.201 nan 8.290 nan 0.000 0.533 433 L N 1.670 123.001 121.223 0.180 0.000 2.079 433 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 433 L C 3.013 179.952 176.870 0.115 0.000 1.081 433 L CA 1.528 56.431 54.840 0.105 0.000 0.752 433 L CB -0.341 41.800 42.059 0.137 0.000 0.896 433 L HN 0.414 nan 8.230 nan 0.000 0.433 434 S N -0.928 114.884 115.700 0.188 0.000 2.603 434 S HA 0.173 4.643 4.470 -0.000 0.000 0.220 434 S C 1.429 176.197 174.600 0.280 0.000 0.967 434 S CA 0.344 58.691 58.200 0.245 0.000 0.920 434 S CB 0.380 63.788 63.200 0.347 0.000 0.773 434 S HN 0.567 nan 8.310 nan 0.000 0.529 435 G N 1.056 109.950 108.800 0.156 0.000 2.159 435 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 435 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 435 G C -0.096 174.768 174.900 -0.059 0.000 0.986 435 G CA 0.035 45.192 45.100 0.096 0.000 0.651 435 G HN 0.600 nan 8.290 nan 0.000 0.523 436 M N 1.801 121.200 119.600 -0.335 0.000 2.227 436 M HA 0.408 4.888 4.480 -0.000 0.000 0.349 436 M C -2.144 173.991 176.300 -0.276 0.000 1.443 436 M CA -1.424 53.510 55.300 -0.610 0.000 1.110 436 M CB 0.681 32.706 32.600 -0.959 0.000 1.773 436 M HN -0.033 nan 8.290 nan 0.000 0.463 437 P HA 0.170 nan 4.420 nan 0.000 0.272 437 P C -0.983 176.133 177.300 -0.307 0.000 1.223 437 P CA -0.030 62.763 63.100 -0.512 0.000 0.784 437 P CB 0.586 31.580 31.700 -1.177 0.000 0.923 438 R N 1.292 121.655 120.500 -0.228 0.000 2.580 438 R HA 0.340 4.680 4.340 -0.000 0.000 0.267 438 R C 0.567 176.911 176.300 0.073 0.000 1.125 438 R CA -0.497 55.489 56.100 -0.190 0.000 1.188 438 R CB 0.059 30.241 30.300 -0.196 0.000 1.155 438 R HN 0.385 nan 8.270 nan 0.000 0.586 439 R N -0.771 119.852 120.500 0.204 0.000 3.741 439 R HA -0.249 4.091 4.340 -0.000 0.000 0.292 439 R C -1.023 175.630 176.300 0.588 0.000 1.176 439 R CA 0.834 57.157 56.100 0.372 0.000 0.794 439 R CB -1.903 28.544 30.300 0.244 0.000 1.213 439 R HN 0.513 nan 8.270 nan 0.000 0.494 440 Y N -0.667 119.797 120.300 0.273 0.000 2.342 440 Y HA 0.131 4.681 4.550 -0.000 0.000 0.334 440 Y C 1.662 177.509 175.900 -0.088 0.000 1.067 440 Y CA -0.216 57.965 58.100 0.135 0.000 1.128 440 Y CB 1.608 40.151 38.460 0.137 0.000 1.200 440 Y HN 0.153 nan 8.280 nan 0.000 0.464 441 S N 0.109 115.641 115.700 -0.281 0.000 2.528 441 S HA 0.060 4.530 4.470 -0.000 0.000 0.219 441 S C -0.135 174.233 174.600 -0.387 0.000 0.985 441 S CA 0.267 58.020 58.200 -0.744 0.000 0.914 441 S CB 0.216 63.060 63.200 -0.594 0.000 0.776 441 S HN 0.708 nan 8.310 nan 0.000 0.526 442 D N -0.529 119.747 120.400 -0.207 0.000 2.622 442 D HA 0.493 5.133 4.640 -0.000 0.000 0.255 442 D C -1.748 174.512 176.300 -0.067 0.000 1.246 442 D CA -0.701 53.128 54.000 -0.284 0.000 0.795 442 D CB 1.623 42.243 40.800 -0.301 0.000 1.369 442 D HN 0.221 nan 8.370 nan 0.000 0.425 443 Y N -1.990 118.367 120.300 0.094 0.000 2.588 443 Y HA 0.756 5.306 4.550 -0.000 0.000 0.343 443 Y C -2.693 173.335 175.900 0.213 0.000 1.065 443 Y CA -2.422 55.805 58.100 0.212 0.000 1.038 443 Y CB -0.121 38.459 38.460 0.199 0.000 1.297 443 Y HN 0.034 nan 8.280 nan 0.000 0.467 444 P HA 0.084 nan 4.420 nan 0.000 0.268 444 P C 0.060 177.528 177.300 0.280 0.000 1.208 444 P CA 0.183 63.451 63.100 0.281 0.000 0.777 444 P CB 0.858 32.711 31.700 0.256 0.000 0.875 445 D N 1.694 122.161 120.400 0.111 0.000 2.172 445 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 445 D C 1.864 178.165 176.300 0.002 0.000 0.999 445 D CA 1.966 56.011 54.000 0.075 0.000 0.856 445 D CB -0.706 40.096 40.800 0.004 0.000 0.934 445 D HN 0.391 nan 8.370 nan 0.000 0.453 446 A N 0.030 122.755 122.820 -0.158 0.000 2.032 446 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 446 A C 1.469 178.861 177.584 -0.319 0.000 1.165 446 A CA 1.091 52.948 52.037 -0.300 0.000 0.645 446 A CB -0.913 17.819 19.000 -0.447 0.000 0.807 446 A HN 0.303 nan 8.150 nan 0.000 0.453 447 Y N 0.175 120.466 120.300 -0.014 0.000 2.529 447 Y HA 0.041 4.591 4.550 -0.000 0.000 0.290 447 Y C 2.421 178.104 175.900 -0.362 0.000 1.177 447 Y CA 0.603 58.603 58.100 -0.167 0.000 1.305 447 Y CB -1.085 37.239 38.460 -0.226 0.000 1.047 447 Y HN 0.221 nan 8.280 nan 0.000 0.522 448 T N 0.184 114.704 114.554 -0.057 0.000 2.720 448 T HA -0.301 4.049 4.350 -0.000 0.000 0.268 448 T C 2.080 176.678 174.700 -0.169 0.000 1.037 448 T CA 1.747 63.831 62.100 -0.027 0.000 1.144 448 T CB -0.244 68.675 68.868 0.086 0.000 0.864 448 T HN 0.441 nan 8.240 nan 0.000 0.444 449 M N -0.388 119.028 119.600 -0.307 0.000 2.065 449 M HA -0.137 4.343 4.480 -0.000 0.000 0.259 449 M C 1.959 178.075 176.300 -0.308 0.000 1.071 449 M CA 1.965 57.007 55.300 -0.430 0.000 1.109 449 M CB -0.286 31.847 32.600 -0.779 0.000 1.313 449 M HN 0.415 nan 8.290 nan 0.000 0.408 450 W N 0.445 121.711 121.300 -0.057 0.000 2.363 450 W HA -0.152 4.508 4.660 -0.000 0.000 0.296 450 W C 2.186 178.614 176.519 -0.153 0.000 1.212 450 W CA 0.261 57.575 57.345 -0.051 0.000 1.260 450 W CB -0.708 28.760 29.460 0.014 0.000 1.131 450 W HN 0.333 nan 8.180 nan 0.000 0.530 451 N N -0.100 118.548 118.700 -0.087 0.000 2.244 451 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 451 N C 1.509 176.965 175.510 -0.091 0.000 1.016 451 N CA 1.894 54.818 53.050 -0.209 0.000 0.866 451 N CB -0.525 37.665 38.487 -0.495 0.000 0.980 451 N HN 0.124 nan 8.380 nan 0.000 0.430 452 T N 1.949 116.466 114.554 -0.063 0.000 2.701 452 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 452 T C 2.147 176.824 174.700 -0.039 0.000 1.040 452 T CA 0.636 62.708 62.100 -0.046 0.000 1.147 452 T CB -0.090 68.745 68.868 -0.054 0.000 0.865 452 T HN 0.163 nan 8.240 nan 0.000 0.426 453 I N 1.054 121.631 120.570 0.012 0.000 2.226 453 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 453 I C 2.809 178.927 176.117 0.002 0.000 1.100 453 I CA 1.012 62.340 61.300 0.048 0.000 1.374 453 I CB -0.436 37.674 38.000 0.183 0.000 1.057 453 I HN 0.254 nan 8.210 nan 0.000 0.413 454 S N 0.277 115.963 115.700 -0.023 0.000 2.368 454 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 454 S C 2.197 176.710 174.600 -0.145 0.000 1.030 454 S CA 2.090 60.215 58.200 -0.125 0.000 0.999 454 S CB -0.154 62.944 63.200 -0.169 0.000 0.844 454 S HN 0.406 nan 8.310 nan 0.000 0.459 455 S N 1.036 116.675 115.700 -0.102 0.000 2.402 455 S HA 0.069 4.539 4.470 -0.000 0.000 0.229 455 S C 1.843 176.385 174.600 -0.096 0.000 1.021 455 S CA 1.235 59.386 58.200 -0.081 0.000 0.974 455 S CB -0.310 62.845 63.200 -0.074 0.000 0.800 455 S HN 0.523 nan 8.310 nan 0.000 0.484 456 M N 0.908 120.439 119.600 -0.114 0.000 2.132 456 M HA -0.015 4.465 4.480 -0.000 0.000 0.263 456 M C 2.544 178.838 176.300 -0.011 0.000 1.065 456 M CA 1.449 56.680 55.300 -0.115 0.000 1.122 456 M CB -0.868 31.680 32.600 -0.087 0.000 1.365 456 M HN 0.447 nan 8.290 nan 0.000 0.411 457 G N 0.148 108.929 108.800 -0.032 0.000 2.450 457 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 457 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 457 G C 1.627 176.518 174.900 -0.014 0.000 1.130 457 G CA 1.316 46.395 45.100 -0.034 0.000 0.760 457 G HN 0.566 nan 8.290 nan 0.000 0.557 458 S N -0.212 115.481 115.700 -0.011 0.000 2.419 458 S HA -0.000 4.470 4.470 -0.000 0.000 0.233 458 S C 2.092 176.804 174.600 0.187 0.000 1.016 458 S CA 0.831 59.056 58.200 0.042 0.000 0.974 458 S CB -0.558 62.665 63.200 0.039 0.000 0.786 458 S HN 0.352 nan 8.310 nan 0.000 0.492 459 F N 1.265 121.193 119.950 -0.037 0.000 2.259 459 F HA 0.211 4.738 4.527 -0.000 0.000 0.298 459 F C 2.197 177.998 175.800 0.002 0.000 1.088 459 F CA 0.570 58.562 58.000 -0.012 0.000 1.358 459 F CB -0.146 38.847 39.000 -0.010 0.000 1.040 459 F HN 0.192 nan 8.300 nan 0.000 0.505 460 I N -0.948 119.725 120.570 0.172 0.000 2.226 460 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 460 I C 2.327 178.491 176.117 0.078 0.000 1.100 460 I CA 1.172 62.533 61.300 0.102 0.000 1.374 460 I CB -0.554 37.488 38.000 0.071 0.000 1.057 460 I HN -0.007 nan 8.210 nan 0.000 0.413 461 S N 0.893 116.635 115.700 0.070 0.000 2.382 461 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 461 S C 1.903 176.543 174.600 0.067 0.000 1.027 461 S CA 1.076 59.325 58.200 0.081 0.000 0.991 461 S CB -0.375 62.881 63.200 0.092 0.000 0.823 461 S HN 0.328 nan 8.310 nan 0.000 0.469 462 L N 2.090 123.320 121.223 0.011 0.000 2.042 462 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 462 L C 2.135 178.995 176.870 -0.017 0.000 1.076 462 L CA 1.965 56.774 54.840 -0.052 0.000 0.749 462 L CB -1.515 40.415 42.059 -0.215 0.000 0.893 462 L HN 0.177 nan 8.230 nan 0.000 0.432 463 T N 0.048 114.607 114.554 0.008 0.000 2.788 463 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 463 T C 1.912 176.669 174.700 0.096 0.000 1.044 463 T CA 1.347 63.470 62.100 0.038 0.000 1.139 463 T CB -0.545 68.357 68.868 0.056 0.000 0.867 463 T HN 0.566 nan 8.240 nan 0.000 0.454 464 A N 0.901 123.805 122.820 0.140 0.000 1.898 464 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 464 A C 2.580 180.346 177.584 0.304 0.000 1.181 464 A CA 1.205 53.404 52.037 0.270 0.000 0.620 464 A CB -0.938 18.188 19.000 0.211 0.000 0.819 464 A HN 0.354 nan 8.150 nan 0.000 0.442 465 V N 0.146 120.167 119.914 0.178 0.000 2.343 465 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 465 V C 2.657 178.775 176.094 0.042 0.000 1.051 465 V CA 2.299 64.665 62.300 0.109 0.000 1.036 465 V CB -0.753 31.104 31.823 0.057 0.000 0.654 465 V HN 0.577 nan 8.190 nan 0.000 0.451 466 M N -0.965 118.652 119.600 0.028 0.000 2.175 466 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 466 M C 2.225 178.539 176.300 0.023 0.000 1.063 466 M CA 1.670 56.971 55.300 0.002 0.000 1.119 466 M CB -0.493 32.092 32.600 -0.024 0.000 1.377 466 M HN 0.334 nan 8.290 nan 0.000 0.415 467 L N 0.605 121.859 121.223 0.052 0.000 2.083 467 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 467 L C 2.457 179.338 176.870 0.018 0.000 1.083 467 L CA 1.644 56.526 54.840 0.070 0.000 0.752 467 L CB -0.534 41.615 42.059 0.151 0.000 0.899 467 L HN 0.289 nan 8.230 nan 0.000 0.433 468 M N -1.716 117.810 119.600 -0.122 0.000 2.108 468 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 468 M C 2.011 178.224 176.300 -0.145 0.000 1.066 468 M CA 2.104 57.205 55.300 -0.332 0.000 1.107 468 M CB -0.116 32.245 32.600 -0.398 0.000 1.356 468 M HN 0.159 nan 8.290 nan 0.000 0.406 469 V N 0.645 120.530 119.914 -0.048 0.000 2.343 469 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 469 V C 2.209 178.344 176.094 0.067 0.000 1.051 469 V CA 2.190 64.498 62.300 0.014 0.000 1.036 469 V CB -1.130 30.708 31.823 0.025 0.000 0.654 469 V HN 0.647 nan 8.190 nan 0.000 0.451 470 F N 0.756 120.667 119.950 -0.065 0.000 2.134 470 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 470 F C 2.092 177.885 175.800 -0.011 0.000 1.097 470 F CA 1.642 59.618 58.000 -0.040 0.000 1.264 470 F CB -0.349 38.536 39.000 -0.192 0.000 1.001 470 F HN 0.076 nan 8.300 nan 0.000 0.479 471 I N 0.296 120.605 120.570 -0.435 0.000 2.286 471 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 471 I C 2.405 178.292 176.117 -0.383 0.000 1.115 471 I CA 1.524 62.513 61.300 -0.519 0.000 1.392 471 I CB -0.494 37.364 38.000 -0.237 0.000 1.065 471 I HN 0.205 nan 8.210 nan 0.000 0.418 472 I N -0.577 119.866 120.570 -0.210 0.000 2.252 472 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 472 I C 2.458 178.590 176.117 0.026 0.000 1.102 472 I CA 1.383 62.608 61.300 -0.127 0.000 1.385 472 I CB -0.411 37.641 38.000 0.087 0.000 1.064 472 I HN 0.406 nan 8.210 nan 0.000 0.414 473 W N 2.260 123.495 121.300 -0.108 0.000 2.335 473 W HA -0.241 4.419 4.660 -0.000 0.000 0.311 473 W C 2.488 178.921 176.519 -0.143 0.000 1.213 473 W CA 1.731 59.049 57.345 -0.044 0.000 1.274 473 W CB -0.205 29.206 29.460 -0.081 0.000 1.148 473 W HN 0.051 nan 8.180 nan 0.000 0.498 474 E N 0.681 120.563 120.200 -0.531 0.000 2.110 474 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 474 E C 2.118 178.391 176.600 -0.545 0.000 0.988 474 E CA 1.707 57.649 56.400 -0.763 0.000 0.804 474 E CB -0.548 28.709 29.700 -0.738 0.000 0.745 474 E HN 0.334 nan 8.360 nan 0.000 0.458 475 A N 0.181 122.760 122.820 -0.401 0.000 1.877 475 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 475 A C 2.158 179.524 177.584 -0.363 0.000 1.186 475 A CA 1.266 53.119 52.037 -0.307 0.000 0.620 475 A CB -1.058 17.768 19.000 -0.290 0.000 0.822 475 A HN 0.327 nan 8.150 nan 0.000 0.443 476 F N -0.194 119.606 119.950 -0.250 0.000 2.293 476 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 476 F C 2.678 178.182 175.800 -0.494 0.000 1.086 476 F CA 0.613 58.428 58.000 -0.308 0.000 1.375 476 F CB 0.054 39.008 39.000 -0.077 0.000 1.045 476 F HN 0.297 nan 8.300 nan 0.000 0.516 477 A N -1.022 121.497 122.820 -0.501 0.000 1.930 477 A HA -0.090 4.229 4.320 -0.000 0.000 0.215 477 A C 2.246 179.580 177.584 -0.416 0.000 1.176 477 A CA 1.668 53.341 52.037 -0.607 0.000 0.632 477 A CB -0.719 17.514 19.000 -1.280 0.000 0.819 477 A HN 0.243 nan 8.150 nan 0.000 0.445 478 S N -0.676 114.785 115.700 -0.399 0.000 2.425 478 S HA 0.044 4.514 4.470 -0.000 0.000 0.225 478 S C 0.384 174.836 174.600 -0.246 0.000 1.024 478 S CA 0.568 58.613 58.200 -0.259 0.000 0.951 478 S CB -0.148 62.935 63.200 -0.195 0.000 0.796 478 S HN 0.576 nan 8.310 nan 0.000 0.498 479 K N 1.204 121.347 120.400 -0.428 0.000 3.393 479 K HA -0.167 4.153 4.320 -0.000 0.000 0.272 479 K C -0.912 175.634 176.600 -0.088 0.000 1.004 479 K CA 0.295 56.262 56.287 -0.533 0.000 0.764 479 K CB -1.181 31.117 32.500 -0.336 0.000 1.373 479 K HN 0.361 nan 8.250 nan 0.000 0.458 480 R N 1.861 122.356 120.500 -0.007 0.000 2.248 480 R HA 0.109 4.449 4.340 -0.000 0.000 0.337 480 R C -0.083 176.355 176.300 0.231 0.000 1.106 480 R CA -0.237 55.920 56.100 0.094 0.000 0.959 480 R CB 0.501 30.834 30.300 0.055 0.000 1.075 480 R HN 0.261 nan 8.270 nan 0.000 0.480 481 E N 1.899 122.231 120.200 0.222 0.000 2.338 481 E HA 0.081 4.431 4.350 -0.000 0.000 0.272 481 E C -0.070 176.580 176.600 0.083 0.000 1.029 481 E CA -0.425 56.077 56.400 0.170 0.000 0.872 481 E CB 1.380 31.155 29.700 0.124 0.000 1.015 481 E HN 0.189 nan 8.360 nan 0.000 0.417 482 V N 4.545 124.485 119.914 0.043 0.000 2.740 482 V HA -0.066 4.054 4.120 -0.000 0.000 0.303 482 V C 1.100 177.212 176.094 0.029 0.000 1.054 482 V CA 0.647 62.967 62.300 0.034 0.000 1.106 482 V CB 0.607 32.450 31.823 0.034 0.000 0.957 482 V HN 0.703 nan 8.190 nan 0.000 0.486 483 L N 2.264 123.502 121.223 0.024 0.000 2.541 483 L HA 0.269 4.609 4.340 -0.000 0.000 0.187 483 L C 0.730 177.609 176.870 0.016 0.000 1.098 483 L CA 0.587 55.439 54.840 0.021 0.000 0.846 483 L CB 0.433 42.503 42.059 0.018 0.000 1.151 483 L HN 0.629 nan 8.230 nan 0.000 0.492 484 T N 0.386 114.941 114.554 0.001 0.000 2.893 484 T HA 0.619 4.969 4.350 -0.000 0.000 0.291 484 T C -0.909 173.759 174.700 -0.054 0.000 1.028 484 T CA -0.299 61.793 62.100 -0.014 0.000 0.995 484 T CB 2.877 71.736 68.868 -0.015 0.000 1.051 484 T HN -0.243 nan 8.240 nan 0.000 0.470 485 V N 2.686 122.553 119.914 -0.078 0.000 2.638 485 V HA 0.384 4.504 4.120 -0.000 0.000 0.306 485 V C -0.240 175.770 176.094 -0.139 0.000 1.052 485 V CA -1.035 61.151 62.300 -0.190 0.000 0.885 485 V CB 2.117 33.739 31.823 -0.336 0.000 0.999 485 V HN 0.858 nan 8.190 nan 0.000 0.424 486 D N 2.550 122.866 120.400 -0.139 0.000 2.358 486 D HA 0.434 5.074 4.640 -0.000 0.000 0.244 486 D C 0.904 177.111 176.300 -0.155 0.000 1.163 486 D CA -0.042 53.873 54.000 -0.143 0.000 0.945 486 D CB 1.210 41.890 40.800 -0.201 0.000 1.152 486 D HN 0.586 nan 8.370 nan 0.000 0.451 487 L N 0.329 121.454 121.223 -0.162 0.000 3.976 487 L HA -0.308 4.032 4.340 -0.000 0.000 0.418 487 L C 1.848 178.737 176.870 0.032 0.000 1.177 487 L CA 0.623 55.387 54.840 -0.127 0.000 0.968 487 L CB -2.456 39.399 42.059 -0.340 0.000 1.933 487 L HN 0.523 nan 8.230 nan 0.000 0.976 488 T N -5.180 109.408 114.554 0.057 0.000 2.929 488 T HA -0.174 4.176 4.350 -0.000 0.000 0.271 488 T C 1.734 176.529 174.700 0.158 0.000 1.085 488 T CA 1.454 63.648 62.100 0.156 0.000 1.125 488 T CB -0.433 68.527 68.868 0.153 0.000 0.874 488 T HN 0.623 nan 8.240 nan 0.000 0.494 489 T N 0.462 115.075 114.554 0.097 0.000 2.962 489 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 489 T C 1.696 176.462 174.700 0.110 0.000 1.088 489 T CA 1.348 63.504 62.100 0.093 0.000 1.127 489 T CB -0.856 68.044 68.868 0.054 0.000 0.883 489 T HN 0.644 nan 8.240 nan 0.000 0.493 490 T N -1.202 113.425 114.554 0.122 0.000 3.252 490 T HA 0.346 4.696 4.350 -0.000 0.000 0.286 490 T C 0.129 174.965 174.700 0.227 0.000 1.013 490 T CA -0.815 61.367 62.100 0.137 0.000 0.914 490 T CB -0.081 68.834 68.868 0.078 0.000 1.131 490 T HN 0.277 nan 8.240 nan 0.000 0.529 491 N N 1.374 120.258 118.700 0.307 0.000 2.716 491 N HA 0.183 4.923 4.740 -0.000 0.000 0.245 491 N C 0.378 176.177 175.510 0.482 0.000 1.495 491 N CA -0.263 53.073 53.050 0.476 0.000 0.759 491 N CB 1.708 40.582 38.487 0.646 0.000 1.261 491 N HN 0.047 nan 8.380 nan 0.000 0.515 492 L N 2.106 123.551 121.223 0.371 0.000 2.137 492 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 492 L C 2.468 179.559 176.870 0.369 0.000 1.085 492 L CA 2.026 57.072 54.840 0.343 0.000 0.760 492 L CB -0.124 42.104 42.059 0.282 0.000 0.893 492 L HN 0.435 nan 8.230 nan 0.000 0.434 493 E N -1.518 118.884 120.200 0.336 0.000 2.265 493 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 493 E C 1.777 178.453 176.600 0.126 0.000 0.996 493 E CA 1.716 58.243 56.400 0.211 0.000 0.832 493 E CB -0.969 28.778 29.700 0.077 0.000 0.756 493 E HN 0.714 nan 8.360 nan 0.000 0.491 494 W N 0.228 121.667 121.300 0.232 0.000 3.003 494 W HA 0.201 4.861 4.660 -0.000 0.000 0.257 494 W C 1.786 178.378 176.519 0.122 0.000 1.308 494 W CA -0.518 56.919 57.345 0.153 0.000 1.529 494 W CB -0.035 29.497 29.460 0.120 0.000 1.115 494 W HN 0.061 nan 8.180 nan 0.000 0.659 495 L N 1.079 122.508 121.223 0.344 0.000 2.456 495 L HA -0.059 4.281 4.340 -0.000 0.000 0.224 495 L C 1.166 178.112 176.870 0.126 0.000 1.148 495 L CA 1.552 56.527 54.840 0.226 0.000 0.825 495 L CB -0.562 41.631 42.059 0.223 0.000 0.937 495 L HN 0.006 nan 8.230 nan 0.000 0.450 496 N N 0.097 118.856 118.700 0.098 0.000 2.251 496 N HA 0.243 4.983 4.740 -0.000 0.000 0.217 496 N C 0.618 176.159 175.510 0.052 0.000 1.124 496 N CA 0.755 53.813 53.050 0.013 0.000 0.843 496 N CB 0.487 38.924 38.487 -0.084 0.000 1.024 496 N HN 0.334 nan 8.380 nan 0.000 0.501 497 G N 0.386 109.247 108.800 0.102 0.000 2.756 497 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.678 497 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.678 497 G C -0.824 174.137 174.900 0.101 0.000 1.349 497 G CA -0.807 44.350 45.100 0.096 0.000 0.847 497 G HN 0.286 nan 8.290 nan 0.000 0.548 498 C N 2.605 121.948 119.300 0.071 0.000 2.356 498 C HA 0.700 5.160 4.460 -0.000 0.000 0.324 498 C C -1.407 173.556 174.990 -0.046 0.000 1.167 498 C CA -0.810 58.222 59.018 0.024 0.000 1.420 498 C CB 1.094 28.867 27.740 0.056 0.000 2.036 498 C HN 0.825 nan 8.230 nan 0.000 0.435 499 P HA 0.405 nan 4.420 nan 0.000 0.279 499 P C -2.665 174.684 177.300 0.083 0.000 1.252 499 P CA -1.299 61.826 63.100 0.040 0.000 0.811 499 P CB 0.545 32.296 31.700 0.085 0.000 1.035 500 P HA 0.213 nan 4.420 nan 0.000 0.274 500 P C -2.270 175.065 177.300 0.058 0.000 1.237 500 P CA -1.487 61.669 63.100 0.092 0.000 0.793 500 P CB -0.956 30.820 31.700 0.127 0.000 0.977 501 P HA -0.051 nan 4.420 nan 0.000 0.270 501 P C 0.819 178.127 177.300 0.013 0.000 1.223 501 P CA -0.008 63.114 63.100 0.036 0.000 0.785 501 P CB 0.529 32.251 31.700 0.038 0.000 0.923 502 Y N 1.648 121.862 120.300 -0.144 0.000 2.062 502 Y HA -0.261 4.289 4.550 -0.000 0.000 0.276 502 Y C 1.022 176.725 175.900 -0.328 0.000 1.189 502 Y CA 1.777 59.701 58.100 -0.293 0.000 1.130 502 Y CB -0.508 37.739 38.460 -0.356 0.000 0.959 502 Y HN 0.428 nan 8.280 nan 0.000 0.499 503 H N -0.029 119.097 119.070 0.093 0.000 2.556 503 H HA 0.321 4.877 4.556 -0.000 0.000 0.310 503 H C -0.212 175.117 175.328 0.002 0.000 1.057 503 H CA -0.205 55.859 56.048 0.026 0.000 1.264 503 H CB 0.872 30.683 29.762 0.083 0.000 1.404 503 H HN 0.073 nan 8.280 nan 0.000 0.462 504 T N -0.284 114.347 114.554 0.128 0.000 2.932 504 T HA 0.315 4.665 4.350 -0.000 0.000 0.289 504 T C -0.073 174.690 174.700 0.104 0.000 1.039 504 T CA -0.951 61.149 62.100 -0.001 0.000 1.024 504 T CB 0.976 69.801 68.868 -0.071 0.000 1.090 504 T HN 0.568 nan 8.240 nan 0.000 0.496 505 F N -0.474 119.513 119.950 0.061 0.000 3.091 505 F HA -0.202 4.325 4.527 -0.000 0.000 0.288 505 F C 1.305 177.118 175.800 0.022 0.000 0.907 505 F CA 0.457 58.480 58.000 0.038 0.000 1.028 505 F CB -2.419 36.594 39.000 0.022 0.000 1.022 505 F HN 0.803 nan 8.300 nan 0.000 0.665 506 E N 0.314 120.574 120.200 0.099 0.000 2.153 506 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 506 E C 1.113 177.747 176.600 0.056 0.000 0.988 506 E CA 1.339 57.769 56.400 0.050 0.000 0.811 506 E CB 0.078 29.780 29.700 0.004 0.000 0.746 506 E HN 0.633 nan 8.360 nan 0.000 0.466 507 E N 1.749 121.993 120.200 0.073 0.000 2.114 507 E HA 0.156 4.506 4.350 -0.000 0.000 0.266 507 E C -2.383 174.306 176.600 0.148 0.000 0.896 507 E CA -2.659 53.789 56.400 0.081 0.000 0.750 507 E CB 0.990 30.726 29.700 0.061 0.000 1.121 507 E HN -0.155 nan 8.360 nan 0.000 0.413 508 P HA -0.031 nan 4.420 nan 0.000 0.271 508 P C -0.082 177.342 177.300 0.206 0.000 1.233 508 P CA -0.248 62.961 63.100 0.181 0.000 0.789 508 P CB 0.504 32.251 31.700 0.078 0.000 0.951 509 T N -1.154 113.536 114.554 0.227 0.000 2.802 509 T HA 0.116 4.466 4.350 -0.000 0.000 0.305 509 T C -0.399 174.411 174.700 0.185 0.000 1.053 509 T CA -0.202 62.033 62.100 0.224 0.000 1.058 509 T CB 0.051 69.032 68.868 0.188 0.000 0.988 509 T HN 0.405 nan 8.240 nan 0.000 0.539 510 Y N 1.228 121.569 120.300 0.069 0.000 2.331 510 Y HA 0.561 5.111 4.550 -0.000 0.000 0.338 510 Y C -1.326 174.598 175.900 0.039 0.000 0.976 510 Y CA -1.308 56.819 58.100 0.045 0.000 1.137 510 Y CB 0.957 39.442 38.460 0.042 0.000 1.172 510 Y HN 0.585 nan 8.280 nan 0.000 0.478 511 V N 6.707 126.458 119.914 -0.272 0.000 2.488 511 V HA 0.261 4.381 4.120 -0.000 0.000 0.293 511 V C -0.510 175.389 176.094 -0.325 0.000 1.027 511 V CA -1.248 60.956 62.300 -0.161 0.000 0.862 511 V CB 1.445 33.230 31.823 -0.065 0.000 1.008 511 V HN 0.871 nan 8.190 nan 0.000 0.428 512 N N 2.877 121.447 118.700 -0.215 0.000 2.453 512 N HA 0.200 4.939 4.740 -0.000 0.000 0.253 512 N C 0.647 176.107 175.510 -0.082 0.000 1.252 512 N CA -0.472 52.489 53.050 -0.149 0.000 0.917 512 N CB 0.962 39.465 38.487 0.027 0.000 1.117 512 N HN 0.542 nan 8.380 nan 0.000 0.442 513 L N 1.539 122.720 121.223 -0.070 0.000 2.298 513 L HA 0.169 4.509 4.340 -0.000 0.000 0.209 513 L C 0.328 177.191 176.870 -0.011 0.000 1.084 513 L CA 1.225 56.041 54.840 -0.039 0.000 0.816 513 L CB -0.461 41.573 42.059 -0.041 0.000 0.967 513 L HN 0.703 nan 8.230 nan 0.000 0.460 514 K N 0.000 120.399 120.400 -0.001 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.294 56.287 0.012 0.000 0.838 514 K CB 0.000 32.510 32.500 0.017 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543