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 2dyr_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 0.000 175.811 175.800 0.019 0.000 0.967 2 F CA 0.000 58.046 58.000 0.076 0.000 1.383 2 F CB 0.000 39.050 39.000 0.083 0.000 1.145 3 I N 1.681 122.261 120.570 0.017 0.000 2.226 3 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 3 I C 1.719 177.462 176.117 -0.624 0.000 1.100 3 I CA 1.662 62.792 61.300 -0.283 0.000 1.374 3 I CB -0.496 37.309 38.000 -0.325 0.000 1.057 3 I HN 0.292 nan 8.210 nan 0.000 0.413 4 N N 0.681 119.098 118.700 -0.473 0.000 2.104 4 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 4 N C 1.896 177.237 175.510 -0.281 0.000 1.024 4 N CA 1.266 54.117 53.050 -0.333 0.000 0.853 4 N CB -0.357 38.044 38.487 -0.143 0.000 1.008 4 N HN 0.326 nan 8.380 nan 0.000 0.424 5 R N -0.931 119.318 120.500 -0.418 0.000 2.075 5 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 5 R C 1.303 177.104 176.300 -0.831 0.000 1.114 5 R CA 1.125 56.830 56.100 -0.660 0.000 0.972 5 R CB -0.109 29.664 30.300 -0.879 0.000 0.869 5 R HN 0.247 nan 8.270 nan 0.000 0.437 6 W N -0.970 120.088 121.300 -0.403 0.000 2.996 6 W HA 0.193 4.853 4.660 -0.000 0.000 0.270 6 W C 1.013 177.526 176.519 -0.011 0.000 1.280 6 W CA -0.554 56.606 57.345 -0.308 0.000 1.549 6 W CB 0.467 29.558 29.460 -0.614 0.000 1.079 6 W HN 0.079 nan 8.180 nan 0.000 0.629 7 L N -1.738 119.514 121.223 0.048 0.000 2.609 7 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 7 L C 0.812 177.893 176.870 0.352 0.000 1.064 7 L CA 0.846 55.744 54.840 0.097 0.000 0.873 7 L CB -0.418 41.503 42.059 -0.229 0.000 1.139 7 L HN -0.160 nan 8.230 nan 0.000 0.490 8 F N -1.135 118.806 119.950 -0.014 0.000 2.708 8 F HA 0.391 4.918 4.527 -0.000 0.000 0.300 8 F C 1.268 177.055 175.800 -0.022 0.000 1.118 8 F CA -1.129 56.857 58.000 -0.024 0.000 1.307 8 F CB -0.960 38.008 39.000 -0.054 0.000 0.986 8 F HN -0.197 nan 8.300 nan 0.000 0.522 9 S N 0.994 116.783 115.700 0.149 0.000 2.558 9 S HA 0.165 4.635 4.470 -0.000 0.000 0.287 9 S C 1.104 175.718 174.600 0.024 0.000 1.321 9 S CA 0.787 58.991 58.200 0.007 0.000 1.048 9 S CB 0.331 63.470 63.200 -0.101 0.000 0.844 9 S HN 0.486 nan 8.310 nan 0.000 0.512 10 T N 1.186 115.726 114.554 -0.025 0.000 3.460 10 T HA 0.298 4.648 4.350 -0.000 0.000 0.304 10 T C -0.254 174.385 174.700 -0.103 0.000 0.991 10 T CA -0.692 61.393 62.100 -0.024 0.000 0.975 10 T CB -0.466 68.411 68.868 0.015 0.000 1.196 10 T HN 0.540 nan 8.240 nan 0.000 0.490 11 N N 1.427 119.991 118.700 -0.227 0.000 2.392 11 N HA 0.163 4.903 4.740 -0.000 0.000 0.283 11 N C 1.012 176.263 175.510 -0.431 0.000 1.003 11 N CA -0.273 52.510 53.050 -0.445 0.000 0.892 11 N CB 1.493 39.447 38.487 -0.887 0.000 1.193 11 N HN 0.565 nan 8.380 nan 0.000 0.487 12 H N 3.227 122.049 119.070 -0.413 0.000 2.421 12 H HA 0.001 4.557 4.556 -0.000 0.000 0.298 12 H C 1.018 175.993 175.328 -0.587 0.000 1.087 12 H CA 1.422 57.236 56.048 -0.390 0.000 1.330 12 H CB 0.318 29.893 29.762 -0.312 0.000 1.388 12 H HN 0.501 nan 8.280 nan 0.000 0.526 13 K N 0.281 119.782 120.400 -1.499 0.000 2.031 13 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 13 K C 1.631 177.515 176.600 -1.194 0.000 1.049 13 K CA 1.282 56.457 56.287 -1.853 0.000 0.939 13 K CB 0.089 31.422 32.500 -1.945 0.000 0.717 13 K HN 0.251 nan 8.250 nan 0.000 0.438 14 D N 1.168 121.105 120.400 -0.771 0.000 2.117 14 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 14 D C 1.863 178.013 176.300 -0.250 0.000 0.987 14 D CA 1.007 54.767 54.000 -0.400 0.000 0.829 14 D CB -0.144 40.295 40.800 -0.603 0.000 0.961 14 D HN 0.137 nan 8.370 nan 0.000 0.460 15 I N 0.643 121.017 120.570 -0.327 0.000 2.315 15 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 15 I C 2.470 178.535 176.117 -0.088 0.000 1.117 15 I CA 1.186 62.348 61.300 -0.230 0.000 1.404 15 I CB -0.348 37.582 38.000 -0.116 0.000 1.071 15 I HN 0.019 nan 8.210 nan 0.000 0.419 16 G N 0.043 108.742 108.800 -0.169 0.000 2.422 16 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 16 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 16 G C 1.659 176.629 174.900 0.116 0.000 1.146 16 G CA 1.334 46.429 45.100 -0.008 0.000 0.769 16 G HN 0.270 nan 8.290 nan 0.000 0.547 17 T N 1.277 115.866 114.554 0.057 0.000 2.777 17 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 17 T C 2.426 177.150 174.700 0.040 0.000 1.040 17 T CA 0.746 62.956 62.100 0.184 0.000 1.141 17 T CB -0.180 68.849 68.868 0.268 0.000 0.868 17 T HN 0.148 nan 8.240 nan 0.000 0.444 18 L N -0.516 120.610 121.223 -0.162 0.000 2.042 18 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 18 L C 2.386 179.093 176.870 -0.271 0.000 1.076 18 L CA 1.585 56.108 54.840 -0.528 0.000 0.749 18 L CB -0.602 40.595 42.059 -1.438 0.000 0.893 18 L HN 0.269 nan 8.230 nan 0.000 0.432 19 Y N -0.014 120.197 120.300 -0.148 0.000 2.181 19 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 19 Y C 2.441 178.488 175.900 0.246 0.000 1.146 19 Y CA 1.412 59.640 58.100 0.213 0.000 1.164 19 Y CB -0.366 38.195 38.460 0.168 0.000 0.982 19 Y HN 0.048 nan 8.280 nan 0.000 0.515 20 L N -0.942 120.459 121.223 0.297 0.000 2.083 20 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 20 L C 2.247 179.264 176.870 0.245 0.000 1.083 20 L CA 1.096 56.064 54.840 0.214 0.000 0.752 20 L CB -0.669 41.477 42.059 0.145 0.000 0.899 20 L HN 0.266 nan 8.230 nan 0.000 0.433 21 L N -1.394 119.965 121.223 0.228 0.000 2.027 21 L HA -0.243 4.097 4.340 -0.000 0.000 0.206 21 L C 2.568 179.613 176.870 0.291 0.000 1.074 21 L CA 1.331 56.296 54.840 0.208 0.000 0.745 21 L CB -0.548 41.577 42.059 0.110 0.000 0.898 21 L HN 0.161 nan 8.230 nan 0.000 0.433 22 F N 0.941 121.028 119.950 0.227 0.000 2.069 22 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 22 F C 2.267 178.287 175.800 0.366 0.000 1.113 22 F CA 1.784 59.958 58.000 0.291 0.000 1.214 22 F CB -0.619 38.579 39.000 0.329 0.000 0.978 22 F HN -0.004 nan 8.300 nan 0.000 0.474 23 G N -0.547 108.564 108.800 0.519 0.000 2.422 23 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 23 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 23 G C 1.763 176.794 174.900 0.217 0.000 1.146 23 G CA 0.771 46.095 45.100 0.373 0.000 0.769 23 G HN 0.629 nan 8.290 nan 0.000 0.547 24 A N -0.145 122.791 122.820 0.192 0.000 1.898 24 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 24 A C 2.138 179.805 177.584 0.138 0.000 1.181 24 A CA 1.488 53.594 52.037 0.115 0.000 0.620 24 A CB -0.688 18.368 19.000 0.094 0.000 0.819 24 A HN 0.523 nan 8.150 nan 0.000 0.442 25 W N 0.592 121.884 121.300 -0.014 0.000 2.355 25 W HA -0.102 4.558 4.660 -0.000 0.000 0.309 25 W C 2.505 179.007 176.519 -0.028 0.000 1.206 25 W CA 2.203 59.514 57.345 -0.055 0.000 1.284 25 W CB -0.157 29.229 29.460 -0.123 0.000 1.145 25 W HN 0.351 nan 8.180 nan 0.000 0.502 26 A N 0.403 123.365 122.820 0.236 0.000 1.940 26 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 26 A C 2.204 179.848 177.584 0.101 0.000 1.176 26 A CA 1.983 54.182 52.037 0.270 0.000 0.631 26 A CB -1.686 17.480 19.000 0.276 0.000 0.814 26 A HN 0.412 nan 8.150 nan 0.000 0.446 27 G N -0.896 107.943 108.800 0.065 0.000 2.442 27 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 27 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 27 G C 1.465 176.349 174.900 -0.026 0.000 1.141 27 G CA 1.330 46.449 45.100 0.032 0.000 0.763 27 G HN 0.353 nan 8.290 nan 0.000 0.554 28 M N 0.434 119.962 119.600 -0.120 0.000 2.099 28 M HA 0.004 4.484 4.480 -0.000 0.000 0.262 28 M C 2.799 178.978 176.300 -0.201 0.000 1.067 28 M CA 0.706 55.893 55.300 -0.189 0.000 1.124 28 M CB -1.274 31.133 32.600 -0.323 0.000 1.353 28 M HN 0.114 nan 8.290 nan 0.000 0.410 29 V N 0.417 120.167 119.914 -0.274 0.000 2.287 29 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 29 V C 2.650 178.752 176.094 0.014 0.000 1.053 29 V CA 2.150 64.351 62.300 -0.164 0.000 1.027 29 V CB -1.821 29.957 31.823 -0.074 0.000 0.646 29 V HN 0.571 nan 8.190 nan 0.000 0.447 30 G N -0.760 108.080 108.800 0.067 0.000 2.432 30 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 30 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 30 G C 1.667 176.673 174.900 0.177 0.000 1.135 30 G CA 1.509 46.690 45.100 0.135 0.000 0.767 30 G HN 0.489 nan 8.290 nan 0.000 0.550 31 T N 1.403 116.003 114.554 0.077 0.000 2.812 31 T HA 0.125 4.475 4.350 -0.000 0.000 0.264 31 T C 2.842 177.543 174.700 0.002 0.000 1.042 31 T CA 1.227 63.358 62.100 0.052 0.000 1.140 31 T CB -0.277 68.594 68.868 0.005 0.000 0.870 31 T HN 0.349 nan 8.240 nan 0.000 0.445 32 A N 1.351 124.156 122.820 -0.025 0.000 1.902 32 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 32 A C 2.273 179.847 177.584 -0.016 0.000 1.181 32 A CA 1.203 53.212 52.037 -0.047 0.000 0.623 32 A CB -0.877 18.085 19.000 -0.063 0.000 0.818 32 A HN 0.463 nan 8.150 nan 0.000 0.443 33 L N 0.367 121.611 121.223 0.035 0.000 2.083 33 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 33 L C 3.007 179.849 176.870 -0.047 0.000 1.083 33 L CA 1.596 56.463 54.840 0.046 0.000 0.752 33 L CB -0.427 41.719 42.059 0.145 0.000 0.899 33 L HN 0.623 nan 8.230 nan 0.000 0.433 34 S N -0.300 115.357 115.700 -0.072 0.000 2.423 34 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 34 S C 1.913 176.438 174.600 -0.125 0.000 1.014 34 S CA 0.708 58.754 58.200 -0.256 0.000 0.965 34 S CB -0.448 62.666 63.200 -0.143 0.000 0.785 34 S HN 0.373 nan 8.310 nan 0.000 0.495 35 L N 0.361 121.532 121.223 -0.087 0.000 2.109 35 L HA 0.116 4.456 4.340 -0.000 0.000 0.207 35 L C 2.557 179.425 176.870 -0.003 0.000 1.086 35 L CA 0.764 55.548 54.840 -0.094 0.000 0.760 35 L CB -0.464 41.473 42.059 -0.203 0.000 0.910 35 L HN 0.304 nan 8.230 nan 0.000 0.437 36 L N -0.444 120.780 121.223 0.002 0.000 2.083 36 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 36 L C 2.435 179.366 176.870 0.102 0.000 1.083 36 L CA 1.305 56.177 54.840 0.054 0.000 0.752 36 L CB -0.320 41.763 42.059 0.040 0.000 0.899 36 L HN 0.206 nan 8.230 nan 0.000 0.433 37 I N -0.660 119.941 120.570 0.052 0.000 2.142 37 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 37 I C 2.635 178.878 176.117 0.210 0.000 1.078 37 I CA 1.280 62.663 61.300 0.137 0.000 1.343 37 I CB -0.349 37.638 38.000 -0.021 0.000 1.046 37 I HN 0.233 nan 8.210 nan 0.000 0.405 38 R N 0.722 121.292 120.500 0.116 0.000 2.189 38 R HA -0.016 4.324 4.340 -0.000 0.000 0.218 38 R C 2.200 178.604 176.300 0.173 0.000 1.074 38 R CA 1.153 57.331 56.100 0.129 0.000 0.991 38 R CB -0.403 29.946 30.300 0.081 0.000 0.883 38 R HN 0.385 nan 8.270 nan 0.000 0.457 39 A N 1.241 124.177 122.820 0.194 0.000 1.897 39 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 39 A C 2.085 179.751 177.584 0.136 0.000 1.181 39 A CA 1.373 53.525 52.037 0.192 0.000 0.620 39 A CB -0.249 18.868 19.000 0.195 0.000 0.821 39 A HN 0.205 nan 8.150 nan 0.000 0.443 40 E N 0.319 120.612 120.200 0.155 0.000 2.153 40 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 40 E C 1.470 178.118 176.600 0.079 0.000 0.988 40 E CA 1.247 57.718 56.400 0.118 0.000 0.811 40 E CB -0.334 29.484 29.700 0.198 0.000 0.746 40 E HN 0.582 nan 8.360 nan 0.000 0.466 41 L N -0.871 120.438 121.223 0.142 0.000 2.607 41 L HA 0.304 4.644 4.340 -0.000 0.000 0.228 41 L C 2.047 179.044 176.870 0.212 0.000 1.123 41 L CA 0.284 55.251 54.840 0.211 0.000 0.890 41 L CB 0.095 42.280 42.059 0.211 0.000 1.103 41 L HN 0.214 nan 8.230 nan 0.000 0.468 42 G N 0.638 109.512 108.800 0.124 0.000 2.470 42 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.220 42 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.220 42 G C 0.567 175.511 174.900 0.075 0.000 1.121 42 G CA 0.398 45.541 45.100 0.073 0.000 0.766 42 G HN 0.536 nan 8.290 nan 0.000 0.553 43 Q N -1.065 118.787 119.800 0.088 0.000 2.435 43 Q HA 0.530 4.870 4.340 -0.000 0.000 0.282 43 Q C -3.304 172.696 176.000 0.000 0.000 1.020 43 Q CA -2.151 53.691 55.803 0.066 0.000 0.820 43 Q CB 1.691 30.432 28.738 0.006 0.000 1.436 43 Q HN -0.134 nan 8.270 nan 0.000 0.395 44 P HA 0.357 nan 4.420 nan 0.000 0.266 44 P C -0.025 177.154 177.300 -0.201 0.000 1.195 44 P CA 1.536 64.485 63.100 -0.251 0.000 0.768 44 P CB 0.554 32.184 31.700 -0.117 0.000 0.838 45 G N 1.056 109.699 108.800 -0.261 0.000 2.422 45 G HA2 0.005 3.965 3.960 -0.000 0.000 0.607 45 G HA3 0.005 3.965 3.960 -0.000 0.000 0.607 45 G C -1.170 173.634 174.900 -0.160 0.000 1.270 45 G CA -0.836 44.163 45.100 -0.167 0.000 0.992 45 G HN 0.521 nan 8.290 nan 0.000 0.499 46 T N 0.765 115.255 114.554 -0.106 0.000 2.797 46 T HA 0.532 4.882 4.350 -0.000 0.000 0.279 46 T C 1.072 175.746 174.700 -0.044 0.000 0.991 46 T CA 0.291 62.341 62.100 -0.083 0.000 0.979 46 T CB 1.687 70.514 68.868 -0.068 0.000 0.943 46 T HN 0.971 nan 8.240 nan 0.000 0.444 47 L N 3.918 125.128 121.223 -0.021 0.000 2.356 47 L HA 0.449 4.789 4.340 -0.000 0.000 0.193 47 L C 1.656 178.542 176.870 0.027 0.000 1.087 47 L CA 1.100 55.946 54.840 0.009 0.000 0.817 47 L CB -0.348 41.728 42.059 0.029 0.000 1.035 47 L HN 0.626 nan 8.230 nan 0.000 0.482 48 L N -0.974 120.278 121.223 0.048 0.000 2.145 48 L HA 0.433 4.773 4.340 -0.000 0.000 0.201 48 L C 1.203 178.104 176.870 0.052 0.000 1.075 48 L CA 0.553 55.432 54.840 0.064 0.000 0.773 48 L CB -0.505 41.617 42.059 0.106 0.000 0.936 48 L HN 0.480 nan 8.230 nan 0.000 0.451 49 G N -0.763 108.066 108.800 0.047 0.000 2.360 49 G HA2 0.101 4.061 3.960 -0.000 0.000 0.276 49 G HA3 0.101 4.061 3.960 -0.000 0.000 0.276 49 G C -1.859 173.058 174.900 0.028 0.000 1.256 49 G CA -0.075 45.045 45.100 0.035 0.000 0.890 49 G HN 0.145 nan 8.290 nan 0.000 0.486 50 D N -0.398 120.020 120.400 0.029 0.000 2.376 50 D HA 0.290 4.930 4.640 -0.000 0.000 0.268 50 D C 0.578 176.918 176.300 0.066 0.000 1.252 50 D CA -0.068 53.942 54.000 0.016 0.000 1.041 50 D CB 0.260 41.063 40.800 0.005 0.000 1.109 50 D HN 0.181 nan 8.370 nan 0.000 0.552 51 D N -1.460 118.974 120.400 0.058 0.000 2.309 51 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 51 D C 1.644 178.056 176.300 0.186 0.000 0.968 51 D CA 0.817 54.903 54.000 0.144 0.000 0.882 51 D CB 0.006 40.859 40.800 0.090 0.000 0.918 51 D HN 0.396 nan 8.370 nan 0.000 0.503 52 Q N 1.008 120.883 119.800 0.125 0.000 1.990 52 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 52 Q C 2.140 178.220 176.000 0.133 0.000 0.980 52 Q CA 0.917 56.791 55.803 0.119 0.000 0.832 52 Q CB -0.478 28.301 28.738 0.068 0.000 0.897 52 Q HN 0.359 nan 8.270 nan 0.000 0.427 53 I N -0.293 120.351 120.570 0.125 0.000 2.286 53 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 53 I C 2.014 178.216 176.117 0.141 0.000 1.115 53 I CA 1.345 62.717 61.300 0.120 0.000 1.392 53 I CB -0.179 37.884 38.000 0.105 0.000 1.065 53 I HN 0.443 nan 8.210 nan 0.000 0.418 54 Y N 1.917 122.258 120.300 0.069 0.000 2.097 54 Y HA -0.317 4.233 4.550 -0.000 0.000 0.282 54 Y C 2.309 178.267 175.900 0.096 0.000 1.152 54 Y CA 2.142 60.289 58.100 0.079 0.000 1.136 54 Y CB -0.280 38.225 38.460 0.076 0.000 0.975 54 Y HN 0.238 nan 8.280 nan 0.000 0.498 55 N N -0.199 118.534 118.700 0.055 0.000 2.459 55 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 55 N C 1.785 177.292 175.510 -0.005 0.000 1.046 55 N CA 1.110 54.149 53.050 -0.018 0.000 0.904 55 N CB -0.042 38.515 38.487 0.116 0.000 0.964 55 N HN 0.295 nan 8.380 nan 0.000 0.444 56 V N 0.495 120.436 119.914 0.044 0.000 2.427 56 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 56 V C 2.371 178.493 176.094 0.045 0.000 1.051 56 V CA 0.983 63.328 62.300 0.075 0.000 1.048 56 V CB -0.252 31.634 31.823 0.104 0.000 0.666 56 V HN 0.032 nan 8.190 nan 0.000 0.456 57 V N -0.389 119.516 119.914 -0.015 0.000 2.307 57 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 57 V C 2.424 178.487 176.094 -0.052 0.000 1.045 57 V CA 1.889 64.171 62.300 -0.030 0.000 1.024 57 V CB -0.285 31.493 31.823 -0.074 0.000 0.651 57 V HN 0.392 nan 8.190 nan 0.000 0.449 58 V N -0.079 119.722 119.914 -0.189 0.000 2.287 58 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 58 V C 2.576 178.674 176.094 0.005 0.000 1.053 58 V CA 2.705 64.936 62.300 -0.115 0.000 1.027 58 V CB -1.059 30.644 31.823 -0.201 0.000 0.646 58 V HN 0.624 nan 8.190 nan 0.000 0.447 59 T N 0.387 114.927 114.554 -0.023 0.000 2.708 59 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 59 T C 2.056 176.735 174.700 -0.035 0.000 1.037 59 T CA 1.732 63.791 62.100 -0.068 0.000 1.146 59 T CB -0.471 68.395 68.868 -0.004 0.000 0.865 59 T HN 0.581 nan 8.240 nan 0.000 0.435 60 A N 1.178 124.075 122.820 0.128 0.000 1.902 60 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 60 A C 1.998 179.692 177.584 0.182 0.000 1.181 60 A CA 2.274 54.453 52.037 0.236 0.000 0.623 60 A CB -1.006 18.133 19.000 0.231 0.000 0.818 60 A HN 0.707 nan 8.150 nan 0.000 0.443 61 H N 0.332 119.424 119.070 0.038 0.000 2.319 61 H HA -0.080 4.476 4.556 -0.000 0.000 0.297 61 H C 2.095 177.399 175.328 -0.040 0.000 1.097 61 H CA 2.425 58.484 56.048 0.018 0.000 1.285 61 H CB -0.399 29.367 29.762 0.008 0.000 1.368 61 H HN 0.368 nan 8.280 nan 0.000 0.495 62 A N -0.008 122.642 122.820 -0.283 0.000 1.877 62 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 62 A C 2.249 179.598 177.584 -0.390 0.000 1.186 62 A CA 1.498 53.210 52.037 -0.542 0.000 0.620 62 A CB -1.093 17.524 19.000 -0.639 0.000 0.822 62 A HN 0.450 nan 8.150 nan 0.000 0.443 63 F N -0.009 119.894 119.950 -0.079 0.000 2.134 63 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 63 F C 2.532 178.235 175.800 -0.162 0.000 1.097 63 F CA 1.101 59.108 58.000 0.013 0.000 1.264 63 F CB -0.965 38.053 39.000 0.030 0.000 1.001 63 F HN 0.021 nan 8.300 nan 0.000 0.479 64 V N -0.365 119.598 119.914 0.081 0.000 2.261 64 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 64 V C 2.526 178.595 176.094 -0.041 0.000 1.047 64 V CA 1.534 63.861 62.300 0.045 0.000 1.015 64 V CB -0.530 31.390 31.823 0.161 0.000 0.642 64 V HN 0.206 nan 8.190 nan 0.000 0.446 65 M N -0.904 118.602 119.600 -0.156 0.000 2.117 65 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 65 M C 2.127 178.287 176.300 -0.233 0.000 1.065 65 M CA 1.985 57.166 55.300 -0.200 0.000 1.114 65 M CB -0.975 31.410 32.600 -0.359 0.000 1.361 65 M HN 0.285 nan 8.290 nan 0.000 0.408 66 I N -1.170 119.182 120.570 -0.363 0.000 2.188 66 I HA -0.246 3.924 4.170 -0.000 0.000 0.237 66 I C 2.050 177.868 176.117 -0.499 0.000 1.073 66 I CA 1.244 62.230 61.300 -0.523 0.000 1.359 66 I CB -0.380 37.119 38.000 -0.835 0.000 1.083 66 I HN 0.048 nan 8.210 nan 0.000 0.412 67 F N -0.474 119.302 119.950 -0.290 0.000 2.416 67 F HA -0.025 4.502 4.527 -0.000 0.000 0.296 67 F C 1.740 177.379 175.800 -0.269 0.000 1.099 67 F CA 0.869 58.645 58.000 -0.375 0.000 1.427 67 F CB -0.163 38.431 39.000 -0.676 0.000 1.079 67 F HN -0.037 nan 8.300 nan 0.000 0.536 68 F N -2.344 117.711 119.950 0.174 0.000 2.717 68 F HA 0.194 4.721 4.527 -0.000 0.000 0.297 68 F C 1.911 177.853 175.800 0.237 0.000 1.113 68 F CA 0.023 58.157 58.000 0.223 0.000 1.319 68 F CB -0.299 38.593 39.000 -0.180 0.000 1.097 68 F HN -0.090 nan 8.300 nan 0.000 0.595 69 M N -0.575 119.175 119.600 0.250 0.000 2.962 69 M HA 0.111 4.591 4.480 -0.000 0.000 0.242 69 M C 2.001 178.394 176.300 0.155 0.000 1.396 69 M CA 1.113 56.531 55.300 0.197 0.000 1.287 69 M CB -0.494 32.170 32.600 0.107 0.000 1.168 69 M HN -0.091 nan 8.290 nan 0.000 0.557 70 V N 1.747 121.692 119.914 0.051 0.000 2.237 70 V HA -0.319 3.801 4.120 -0.000 0.000 0.245 70 V C 2.582 178.711 176.094 0.059 0.000 1.046 70 V CA 2.191 64.509 62.300 0.030 0.000 1.007 70 V CB -0.772 31.007 31.823 -0.074 0.000 0.638 70 V HN 0.496 nan 8.190 nan 0.000 0.445 71 M N -0.580 119.032 119.600 0.021 0.000 2.086 71 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 71 M C -0.028 176.346 176.300 0.122 0.000 1.067 71 M CA 2.351 57.677 55.300 0.043 0.000 1.116 71 M CB -1.522 31.087 32.600 0.016 0.000 1.348 71 M HN 0.283 nan 8.290 nan 0.000 0.407 72 P HA -0.106 nan 4.420 nan 0.000 0.216 72 P C 1.399 178.846 177.300 0.246 0.000 1.153 72 P CA 1.298 64.610 63.100 0.354 0.000 0.848 72 P CB -0.096 31.984 31.700 0.633 0.000 0.787 73 I N -1.956 118.763 120.570 0.250 0.000 2.163 73 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 73 I C 2.439 178.697 176.117 0.235 0.000 1.081 73 I CA 1.677 63.098 61.300 0.202 0.000 1.353 73 I CB -0.492 37.643 38.000 0.225 0.000 1.054 73 I HN -0.080 nan 8.210 nan 0.000 0.407 74 M N 0.099 119.869 119.600 0.284 0.000 2.077 74 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 74 M C 2.290 178.733 176.300 0.239 0.000 1.070 74 M CA 2.122 57.635 55.300 0.355 0.000 1.125 74 M CB -0.247 32.478 32.600 0.208 0.000 1.339 74 M HN 0.168 nan 8.290 nan 0.000 0.409 75 I N -1.164 119.434 120.570 0.046 0.000 2.385 75 I HA -0.023 4.147 4.170 -0.000 0.000 0.244 75 I C 2.591 178.625 176.117 -0.137 0.000 1.089 75 I CA 1.138 62.365 61.300 -0.123 0.000 1.410 75 I CB -0.912 36.989 38.000 -0.165 0.000 1.117 75 I HN 0.299 nan 8.210 nan 0.000 0.429 76 G N 0.424 109.008 108.800 -0.360 0.000 2.408 76 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.217 76 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.217 76 G C 1.571 176.159 174.900 -0.519 0.000 1.150 76 G CA 0.844 45.291 45.100 -1.089 0.000 0.776 76 G HN 0.483 nan 8.290 nan 0.000 0.542 77 G N 0.406 109.118 108.800 -0.147 0.000 2.624 77 G HA2 0.069 4.029 3.960 -0.000 0.000 0.216 77 G HA3 0.069 4.029 3.960 -0.000 0.000 0.216 77 G C 1.511 176.413 174.900 0.004 0.000 1.274 77 G CA 0.369 45.459 45.100 -0.018 0.000 0.856 77 G HN 0.292 nan 8.290 nan 0.000 0.555 78 F N 1.776 121.810 119.950 0.139 0.000 2.161 78 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 78 F C 2.949 178.874 175.800 0.207 0.000 1.089 78 F CA 0.869 58.921 58.000 0.086 0.000 1.282 78 F CB -0.286 38.703 39.000 -0.018 0.000 1.010 78 F HN 0.242 nan 8.300 nan 0.000 0.485 79 G N 0.049 109.100 108.800 0.417 0.000 2.459 79 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 79 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 79 G C 1.620 176.825 174.900 0.509 0.000 1.183 79 G CA 1.017 46.324 45.100 0.345 0.000 0.776 79 G HN 0.232 nan 8.290 nan 0.000 0.552 80 N N -0.197 118.747 118.700 0.408 0.000 2.120 80 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 80 N C 1.925 177.569 175.510 0.223 0.000 1.024 80 N CA 0.888 54.075 53.050 0.229 0.000 0.852 80 N CB -0.271 38.262 38.487 0.077 0.000 1.003 80 N HN 0.562 nan 8.380 nan 0.000 0.424 81 W N 1.454 122.759 121.300 0.008 0.000 2.378 81 W HA 0.026 4.686 4.660 -0.000 0.000 0.313 81 W C 2.164 178.708 176.519 0.042 0.000 1.197 81 W CA 0.646 57.925 57.345 -0.111 0.000 1.304 81 W CB -0.287 28.841 29.460 -0.553 0.000 1.148 81 W HN -0.006 nan 8.180 nan 0.000 0.494 82 L N -1.384 120.032 121.223 0.322 0.000 2.202 82 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 82 L C 2.080 179.068 176.870 0.196 0.000 1.083 82 L CA 0.268 55.211 54.840 0.171 0.000 0.790 82 L CB -1.261 40.720 42.059 -0.129 0.000 0.942 82 L HN -0.192 nan 8.230 nan 0.000 0.452 83 V N 0.809 120.871 119.914 0.247 0.000 2.255 83 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 83 V C -0.144 175.951 176.094 0.001 0.000 1.051 83 V CA 2.214 64.606 62.300 0.153 0.000 1.018 83 V CB -1.482 30.471 31.823 0.218 0.000 0.641 83 V HN 0.322 nan 8.190 nan 0.000 0.445 84 P HA -0.093 nan 4.420 nan 0.000 0.217 84 P C 1.887 179.078 177.300 -0.180 0.000 1.150 84 P CA 1.283 64.198 63.100 -0.308 0.000 0.832 84 P CB -0.038 31.181 31.700 -0.801 0.000 0.787 85 L N -1.943 119.296 121.223 0.026 0.000 2.093 85 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 85 L C 2.408 179.335 176.870 0.096 0.000 1.085 85 L CA 1.448 56.416 54.840 0.213 0.000 0.755 85 L CB -0.804 41.449 42.059 0.323 0.000 0.904 85 L HN -0.012 nan 8.230 nan 0.000 0.435 86 M N -0.144 119.507 119.600 0.086 0.000 2.460 86 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 86 M C 1.749 178.054 176.300 0.009 0.000 1.071 86 M CA 1.390 56.758 55.300 0.113 0.000 1.096 86 M CB -0.016 32.701 32.600 0.195 0.000 1.408 86 M HN 0.350 nan 8.290 nan 0.000 0.463 87 I N -4.461 116.038 120.570 -0.119 0.000 4.025 87 I HA 0.468 4.638 4.170 -0.000 0.000 0.336 87 I C 0.905 176.801 176.117 -0.368 0.000 1.390 87 I CA 0.007 61.198 61.300 -0.181 0.000 1.099 87 I CB -0.108 37.795 38.000 -0.162 0.000 1.049 87 I HN 0.291 nan 8.210 nan 0.000 0.394 88 G N 2.070 110.460 108.800 -0.684 0.000 2.198 88 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 88 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 88 G C 0.307 174.588 174.900 -1.031 0.000 1.025 88 G CA 0.186 44.374 45.100 -1.521 0.000 0.769 88 G HN 0.935 nan 8.290 nan 0.000 0.507 89 A N 0.277 122.744 122.820 -0.588 0.000 2.316 89 A HA 0.816 5.136 4.320 -0.000 0.000 0.284 89 A C -0.066 177.436 177.584 -0.137 0.000 1.115 89 A CA -0.840 51.017 52.037 -0.301 0.000 0.812 89 A CB 1.023 19.858 19.000 -0.274 0.000 1.064 89 A HN 0.125 nan 8.150 nan 0.000 0.489 90 P HA -0.026 nan 4.420 nan 0.000 0.223 90 P C 0.088 177.389 177.300 0.001 0.000 1.151 90 P CA 1.153 64.289 63.100 0.060 0.000 0.787 90 P CB 0.371 32.093 31.700 0.036 0.000 0.788 91 D N -2.882 117.431 120.400 -0.146 0.000 3.038 91 D HA 0.111 4.751 4.640 -0.000 0.000 0.351 91 D C -0.689 175.435 176.300 -0.293 0.000 1.442 91 D CA -0.488 53.386 54.000 -0.211 0.000 0.802 91 D CB 0.287 41.055 40.800 -0.053 0.000 1.406 91 D HN -0.326 nan 8.370 nan 0.000 0.488 92 M N 1.012 120.452 119.600 -0.266 0.000 2.227 92 M HA 0.372 4.852 4.480 -0.000 0.000 0.316 92 M C 1.297 177.396 176.300 -0.334 0.000 1.144 92 M CA -0.002 55.104 55.300 -0.323 0.000 1.121 92 M CB 0.569 32.973 32.600 -0.325 0.000 1.440 92 M HN 0.608 nan 8.290 nan 0.000 0.473 93 A N 1.316 123.835 122.820 -0.502 0.000 1.933 93 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 93 A C 0.466 177.630 177.584 -0.701 0.000 1.175 93 A CA 1.596 53.193 52.037 -0.734 0.000 0.628 93 A CB -0.268 18.022 19.000 -1.184 0.000 0.814 93 A HN 0.583 nan 8.150 nan 0.000 0.444 94 F N -0.509 119.381 119.950 -0.100 0.000 2.449 94 F HA 0.337 4.864 4.527 -0.000 0.000 0.344 94 F C -1.829 173.928 175.800 -0.072 0.000 1.180 94 F CA -3.010 54.947 58.000 -0.073 0.000 1.209 94 F CB 0.898 39.861 39.000 -0.062 0.000 1.440 94 F HN 0.061 nan 8.300 nan 0.000 0.526 95 P HA -0.193 nan 4.420 nan 0.000 0.221 95 P C 1.670 178.992 177.300 0.038 0.000 1.145 95 P CA 1.310 64.414 63.100 0.007 0.000 0.795 95 P CB 0.477 32.167 31.700 -0.017 0.000 0.775 96 R N -0.606 119.932 120.500 0.063 0.000 2.090 96 R HA 0.128 4.468 4.340 -0.000 0.000 0.219 96 R C 2.533 178.875 176.300 0.071 0.000 1.100 96 R CA 0.634 56.767 56.100 0.055 0.000 0.991 96 R CB -0.631 29.688 30.300 0.032 0.000 0.893 96 R HN 0.018 nan 8.270 nan 0.000 0.443 97 M N 1.029 120.678 119.600 0.082 0.000 2.213 97 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 97 M C 1.603 177.963 176.300 0.100 0.000 1.062 97 M CA 1.667 57.012 55.300 0.075 0.000 1.105 97 M CB -0.159 32.476 32.600 0.059 0.000 1.385 97 M HN 0.123 nan 8.290 nan 0.000 0.417 98 N N 0.969 119.727 118.700 0.097 0.000 2.104 98 N HA -0.219 4.521 4.740 -0.000 0.000 0.190 98 N C 1.326 176.919 175.510 0.138 0.000 1.024 98 N CA 1.797 54.900 53.050 0.088 0.000 0.853 98 N CB -0.430 38.066 38.487 0.015 0.000 1.008 98 N HN 0.409 nan 8.380 nan 0.000 0.424 99 N N -0.189 118.590 118.700 0.132 0.000 2.244 99 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 99 N C 1.680 177.353 175.510 0.272 0.000 1.016 99 N CA 0.743 53.913 53.050 0.200 0.000 0.866 99 N CB -0.172 38.452 38.487 0.229 0.000 0.980 99 N HN 0.363 nan 8.380 nan 0.000 0.430 100 M N -0.755 118.963 119.600 0.197 0.000 2.200 100 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 100 M C 1.779 178.152 176.300 0.122 0.000 1.066 100 M CA 0.947 56.353 55.300 0.177 0.000 1.127 100 M CB 0.001 32.664 32.600 0.105 0.000 1.379 100 M HN 0.021 nan 8.290 nan 0.000 0.420 101 S N 0.354 116.129 115.700 0.126 0.000 2.370 101 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 101 S C 1.471 176.086 174.600 0.026 0.000 1.033 101 S CA 1.634 59.916 58.200 0.136 0.000 1.011 101 S CB -0.514 62.834 63.200 0.245 0.000 0.852 101 S HN 0.628 nan 8.310 nan 0.000 0.457 102 F N 0.578 120.403 119.950 -0.208 0.000 2.098 102 F HA -0.019 4.508 4.527 -0.000 0.000 0.294 102 F C 1.644 177.062 175.800 -0.637 0.000 1.107 102 F CA 1.096 58.641 58.000 -0.759 0.000 1.234 102 F CB -0.605 37.737 39.000 -1.098 0.000 1.002 102 F HN 0.221 nan 8.300 nan 0.000 0.472 103 W N 0.630 121.744 121.300 -0.310 0.000 2.632 103 W HA -0.062 4.598 4.660 -0.000 0.000 0.248 103 W C 1.857 178.191 176.519 -0.307 0.000 1.259 103 W CA 0.325 57.487 57.345 -0.304 0.000 1.288 103 W CB -0.343 29.109 29.460 -0.013 0.000 1.136 103 W HN 0.082 nan 8.180 nan 0.000 0.640 104 L N -0.448 120.696 121.223 -0.132 0.000 2.418 104 L HA -0.087 4.253 4.340 -0.000 0.000 0.218 104 L C 2.093 178.867 176.870 -0.161 0.000 1.125 104 L CA 0.437 55.232 54.840 -0.075 0.000 0.835 104 L CB -0.360 41.688 42.059 -0.019 0.000 0.953 104 L HN 0.073 nan 8.230 nan 0.000 0.454 105 L N -0.116 120.840 121.223 -0.444 0.000 2.044 105 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 105 L C -0.184 176.494 176.870 -0.320 0.000 1.075 105 L CA 1.279 55.805 54.840 -0.524 0.000 0.747 105 L CB -1.719 39.634 42.059 -1.176 0.000 0.903 105 L HN 0.187 nan 8.230 nan 0.000 0.435 106 P HA -0.105 nan 4.420 nan 0.000 0.215 106 P C -1.360 175.984 177.300 0.073 0.000 1.153 106 P CA 1.565 64.711 63.100 0.077 0.000 0.853 106 P CB -0.882 30.873 31.700 0.092 0.000 0.788 107 P HA -0.141 nan 4.420 nan 0.000 0.216 107 P C 1.921 179.269 177.300 0.080 0.000 1.153 107 P CA 1.693 64.825 63.100 0.053 0.000 0.848 107 P CB -0.464 31.258 31.700 0.037 0.000 0.787 108 S N -1.703 114.046 115.700 0.081 0.000 2.370 108 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 108 S C 1.815 176.527 174.600 0.187 0.000 1.033 108 S CA 1.143 59.438 58.200 0.158 0.000 1.011 108 S CB -1.142 62.204 63.200 0.244 0.000 0.852 108 S HN 0.051 nan 8.310 nan 0.000 0.457 109 F N 0.740 120.551 119.950 -0.231 0.000 2.186 109 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 109 F C 2.029 177.792 175.800 -0.062 0.000 1.090 109 F CA 0.849 58.592 58.000 -0.428 0.000 1.307 109 F CB -0.100 38.563 39.000 -0.561 0.000 1.019 109 F HN 0.296 nan 8.300 nan 0.000 0.489 110 L N 0.686 122.030 121.223 0.201 0.000 2.083 110 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 110 L C 1.904 178.866 176.870 0.153 0.000 1.083 110 L CA 1.715 56.629 54.840 0.124 0.000 0.752 110 L CB -0.772 41.325 42.059 0.063 0.000 0.899 110 L HN 0.150 nan 8.230 nan 0.000 0.433 111 L N -1.251 120.068 121.223 0.160 0.000 2.093 111 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 111 L C 2.493 179.469 176.870 0.176 0.000 1.085 111 L CA 1.302 56.234 54.840 0.154 0.000 0.755 111 L CB -0.536 41.614 42.059 0.152 0.000 0.904 111 L HN 0.378 nan 8.230 nan 0.000 0.435 112 L N -0.402 120.965 121.223 0.240 0.000 2.056 112 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 112 L C 2.381 179.418 176.870 0.278 0.000 1.078 112 L CA 1.333 56.332 54.840 0.265 0.000 0.749 112 L CB -0.047 42.252 42.059 0.400 0.000 0.901 112 L HN 0.146 nan 8.230 nan 0.000 0.433 113 L N -0.333 121.072 121.223 0.304 0.000 2.141 113 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 113 L C 2.823 179.788 176.870 0.159 0.000 1.094 113 L CA 0.876 55.853 54.840 0.229 0.000 0.763 113 L CB -0.889 41.278 42.059 0.181 0.000 0.908 113 L HN 0.353 nan 8.230 nan 0.000 0.437 114 A N 0.450 123.355 122.820 0.142 0.000 1.877 114 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 114 A C 2.562 180.216 177.584 0.116 0.000 1.186 114 A CA 2.068 54.173 52.037 0.113 0.000 0.620 114 A CB -0.798 18.265 19.000 0.105 0.000 0.822 114 A HN 0.504 nan 8.150 nan 0.000 0.443 115 S N 0.466 116.244 115.700 0.129 0.000 2.400 115 S HA -0.170 4.300 4.470 -0.000 0.000 0.232 115 S C 1.964 176.639 174.600 0.125 0.000 1.025 115 S CA 1.919 60.191 58.200 0.121 0.000 0.993 115 S CB -0.796 62.472 63.200 0.113 0.000 0.808 115 S HN 0.987 nan 8.310 nan 0.000 0.478 116 S N 0.269 116.051 115.700 0.137 0.000 2.528 116 S HA 0.240 4.710 4.470 -0.000 0.000 0.219 116 S C 1.794 176.458 174.600 0.107 0.000 0.985 116 S CA 0.148 58.426 58.200 0.130 0.000 0.914 116 S CB -0.305 62.984 63.200 0.147 0.000 0.776 116 S HN 0.389 nan 8.310 nan 0.000 0.526 117 M N 2.011 121.670 119.600 0.099 0.000 2.325 117 M HA 0.235 4.715 4.480 -0.000 0.000 0.265 117 M C 1.074 177.418 176.300 0.072 0.000 1.094 117 M CA 0.553 55.901 55.300 0.080 0.000 1.161 117 M CB -0.615 32.030 32.600 0.075 0.000 1.358 117 M HN 0.401 nan 8.290 nan 0.000 0.446 118 V N -0.463 119.497 119.914 0.077 0.000 2.834 118 V HA 0.301 4.421 4.120 -0.000 0.000 0.301 118 V C 0.806 176.943 176.094 0.071 0.000 1.066 118 V CA -0.971 61.370 62.300 0.070 0.000 1.052 118 V CB 0.860 32.727 31.823 0.073 0.000 1.021 118 V HN 0.553 nan 8.190 nan 0.000 0.480 119 E N 2.449 122.685 120.200 0.059 0.000 3.401 119 E HA -0.343 4.007 4.350 -0.000 0.000 0.352 119 E C 0.917 177.550 176.600 0.054 0.000 1.523 119 E CA 2.036 58.468 56.400 0.053 0.000 1.794 119 E CB -1.621 28.114 29.700 0.060 0.000 1.792 119 E HN 1.541 nan 8.360 nan 0.000 0.471 120 A N 1.472 124.325 122.820 0.055 0.000 2.500 120 A HA 0.514 4.834 4.320 -0.000 0.000 0.267 120 A C 0.882 178.524 177.584 0.098 0.000 1.290 120 A CA 1.451 53.522 52.037 0.057 0.000 0.928 120 A CB -0.137 18.875 19.000 0.020 0.000 1.066 120 A HN 1.389 nan 8.150 nan 0.000 0.516 121 G N -1.077 107.794 108.800 0.119 0.000 2.855 121 G HA2 0.298 4.258 3.960 -0.000 0.000 0.352 121 G HA3 0.298 4.258 3.960 -0.000 0.000 0.352 121 G C 0.082 175.111 174.900 0.215 0.000 1.415 121 G CA -0.311 44.877 45.100 0.148 0.000 0.871 121 G HN 1.755 nan 8.290 nan 0.000 0.543 122 A N 0.328 123.254 122.820 0.177 0.000 2.444 122 A HA 0.737 5.057 4.320 -0.000 0.000 0.332 122 A C 0.834 178.474 177.584 0.094 0.000 1.430 122 A CA 0.782 52.883 52.037 0.106 0.000 0.975 122 A CB 0.361 19.382 19.000 0.035 0.000 1.147 122 A HN 2.298 nan 8.150 nan 0.000 0.524 123 G N 1.588 110.525 108.800 0.229 0.000 3.964 123 G HA2 0.379 4.339 3.960 -0.000 0.000 0.289 123 G HA3 0.379 4.339 3.960 -0.000 0.000 0.289 123 G C 0.679 175.612 174.900 0.055 0.000 1.176 123 G CA 0.479 45.673 45.100 0.156 0.000 1.553 123 G HN 0.771 nan 8.290 nan 0.000 0.588 124 T N -2.367 112.129 114.554 -0.097 0.000 2.985 124 T HA 0.504 4.854 4.350 -0.000 0.000 0.254 124 T C 1.137 175.742 174.700 -0.158 0.000 1.021 124 T CA 0.444 62.444 62.100 -0.168 0.000 0.957 124 T CB 0.670 69.370 68.868 -0.280 0.000 1.047 124 T HN 1.614 nan 8.240 nan 0.000 0.511 125 G N 1.670 110.398 108.800 -0.120 0.000 2.692 125 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 125 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 125 G C 0.238 174.992 174.900 -0.244 0.000 1.243 125 G CA -0.269 44.741 45.100 -0.151 0.000 0.782 125 G HN 0.579 nan 8.290 nan 0.000 0.625 126 W N 0.670 121.669 121.300 -0.502 0.000 2.611 126 W HA -0.038 4.622 4.660 -0.000 0.000 0.251 126 W C 1.533 177.776 176.519 -0.459 0.000 1.265 126 W CA 2.023 58.880 57.345 -0.812 0.000 1.295 126 W CB -1.512 27.386 29.460 -0.937 0.000 1.129 126 W HN 1.084 nan 8.180 nan 0.000 0.630 127 T N -1.006 112.840 114.554 -1.179 0.000 3.055 127 T HA 0.032 4.382 4.350 -0.000 0.000 0.265 127 T C 1.191 175.316 174.700 -0.958 0.000 1.111 127 T CA 0.848 61.919 62.100 -1.715 0.000 1.118 127 T CB -0.841 67.036 68.868 -1.652 0.000 0.909 127 T HN 0.156 nan 8.240 nan 0.000 0.501 128 V N 0.679 120.277 119.914 -0.527 0.000 5.175 128 V HA -0.234 3.886 4.120 -0.000 0.000 0.279 128 V C 0.220 176.060 176.094 -0.423 0.000 0.571 128 V CA 0.359 62.462 62.300 -0.327 0.000 0.694 128 V CB -2.943 28.783 31.823 -0.162 0.000 0.525 128 V HN 0.705 nan 8.190 nan 0.000 1.093 129 Y N 1.866 121.856 120.300 -0.517 0.000 2.511 129 Y HA 0.267 4.817 4.550 -0.000 0.000 0.332 129 Y C -0.892 174.715 175.900 -0.489 0.000 1.177 129 Y CA -1.766 55.993 58.100 -0.569 0.000 1.422 129 Y CB 1.049 39.352 38.460 -0.263 0.000 1.271 129 Y HN 0.277 nan 8.280 nan 0.000 0.550 130 P HA 0.204 nan 4.420 nan 0.000 0.281 130 P C -2.449 174.797 177.300 -0.090 0.000 1.264 130 P CA -2.056 60.908 63.100 -0.226 0.000 0.824 130 P CB 1.354 32.914 31.700 -0.233 0.000 1.092 131 P HA 0.017 nan 4.420 nan 0.000 0.236 131 P C 1.565 178.885 177.300 0.033 0.000 1.177 131 P CA 0.165 63.277 63.100 0.020 0.000 0.773 131 P CB -0.090 31.637 31.700 0.046 0.000 0.878 132 L N 0.547 121.794 121.223 0.039 0.000 2.081 132 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 132 L C 1.959 178.889 176.870 0.099 0.000 1.080 132 L CA 2.095 56.992 54.840 0.095 0.000 0.754 132 L CB -1.358 40.753 42.059 0.088 0.000 0.893 132 L HN -0.061 nan 8.230 nan 0.000 0.433 133 A N -0.910 121.871 122.820 -0.065 0.000 2.238 133 A HA 0.388 4.708 4.320 -0.000 0.000 0.208 133 A C 1.374 178.928 177.584 -0.050 0.000 1.177 133 A CA 0.391 52.333 52.037 -0.157 0.000 0.804 133 A CB -1.317 17.523 19.000 -0.266 0.000 0.823 133 A HN 0.482 nan 8.150 nan 0.000 0.482 134 G N 0.009 108.816 108.800 0.012 0.000 2.621 134 G HA2 0.261 4.221 3.960 -0.000 0.000 0.271 134 G HA3 0.261 4.221 3.960 -0.000 0.000 0.271 134 G C 0.587 175.529 174.900 0.070 0.000 1.236 134 G CA 0.127 45.251 45.100 0.041 0.000 0.958 134 G HN 0.466 nan 8.290 nan 0.000 0.512 135 N N -0.823 117.913 118.700 0.059 0.000 2.571 135 N HA -0.035 4.705 4.740 -0.000 0.000 0.189 135 N C 1.410 176.950 175.510 0.050 0.000 1.154 135 N CA 0.485 53.569 53.050 0.057 0.000 0.907 135 N CB 0.135 38.650 38.487 0.046 0.000 0.977 135 N HN 0.302 nan 8.380 nan 0.000 0.449 136 L N -0.584 120.669 121.223 0.050 0.000 2.349 136 L HA 0.489 4.829 4.340 -0.000 0.000 0.200 136 L C 2.032 178.921 176.870 0.031 0.000 1.064 136 L CA 0.966 55.827 54.840 0.036 0.000 0.821 136 L CB -0.790 41.289 42.059 0.034 0.000 1.027 136 L HN 0.115 nan 8.230 nan 0.000 0.476 137 A N -1.995 120.856 122.820 0.052 0.000 2.123 137 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 137 A C 0.318 177.907 177.584 0.009 0.000 1.152 137 A CA 0.761 52.825 52.037 0.045 0.000 0.728 137 A CB -0.631 18.423 19.000 0.090 0.000 0.814 137 A HN 0.623 nan 8.150 nan 0.000 0.464 138 H N -1.012 118.065 119.070 0.012 0.000 2.597 138 H HA 0.527 5.083 4.556 -0.000 0.000 0.225 138 H C 0.071 175.408 175.328 0.015 0.000 1.422 138 H CA -0.098 55.958 56.048 0.013 0.000 1.335 138 H CB 0.408 30.173 29.762 0.006 0.000 1.783 138 H HN 0.409 nan 8.280 nan 0.000 0.513 139 A N 1.010 123.861 122.820 0.050 0.000 2.445 139 A HA 0.587 4.907 4.320 -0.000 0.000 0.242 139 A C 1.019 178.635 177.584 0.053 0.000 1.075 139 A CA 0.794 52.859 52.037 0.046 0.000 0.777 139 A CB -0.161 18.852 19.000 0.022 0.000 1.013 139 A HN 0.882 nan 8.150 nan 0.000 0.493 140 G N -0.829 108.005 108.800 0.056 0.000 2.541 140 G HA2 0.366 4.326 3.960 -0.000 0.000 0.686 140 G HA3 0.366 4.326 3.960 -0.000 0.000 0.686 140 G C 0.634 175.578 174.900 0.073 0.000 1.286 140 G CA 0.101 45.237 45.100 0.060 0.000 0.894 140 G HN 1.974 nan 8.290 nan 0.000 0.575 141 A N -0.243 122.622 122.820 0.076 0.000 2.119 141 A HA 0.304 4.624 4.320 -0.000 0.000 0.217 141 A C 2.658 180.294 177.584 0.087 0.000 1.153 141 A CA 2.483 54.572 52.037 0.086 0.000 0.692 141 A CB -0.590 18.466 19.000 0.094 0.000 0.799 141 A HN 1.562 nan 8.150 nan 0.000 0.458 142 S N -0.190 115.567 115.700 0.095 0.000 2.359 142 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 142 S C 1.860 176.497 174.600 0.061 0.000 1.038 142 S CA 1.763 60.023 58.200 0.100 0.000 1.051 142 S CB -0.580 62.703 63.200 0.139 0.000 0.944 142 S HN 0.380 nan 8.310 nan 0.000 0.433 143 V N 2.492 122.429 119.914 0.038 0.000 2.490 143 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 143 V C 1.978 178.014 176.094 -0.096 0.000 1.061 143 V CA 1.646 63.919 62.300 -0.045 0.000 1.064 143 V CB -0.678 31.098 31.823 -0.077 0.000 0.670 143 V HN 0.431 nan 8.190 nan 0.000 0.461 144 D N 0.004 120.359 120.400 -0.075 0.000 2.144 144 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 144 D C 2.143 178.352 176.300 -0.152 0.000 0.978 144 D CA 1.053 54.938 54.000 -0.192 0.000 0.833 144 D CB -0.026 40.727 40.800 -0.078 0.000 0.961 144 D HN 0.356 nan 8.370 nan 0.000 0.470 145 L N 0.732 121.986 121.223 0.052 0.000 2.093 145 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 145 L C 2.530 179.431 176.870 0.052 0.000 1.085 145 L CA 0.978 55.911 54.840 0.155 0.000 0.755 145 L CB -0.456 41.689 42.059 0.143 0.000 0.904 145 L HN -0.008 nan 8.230 nan 0.000 0.435 146 T N 0.033 114.559 114.554 -0.046 0.000 2.777 146 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 146 T C 1.908 176.441 174.700 -0.279 0.000 1.040 146 T CA 1.272 63.280 62.100 -0.154 0.000 1.141 146 T CB -0.149 68.650 68.868 -0.114 0.000 0.868 146 T HN 0.180 nan 8.240 nan 0.000 0.444 147 I N 0.256 120.639 120.570 -0.312 0.000 2.179 147 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 147 I C 1.982 177.841 176.117 -0.430 0.000 1.088 147 I CA 1.321 62.348 61.300 -0.455 0.000 1.357 147 I CB -0.352 37.324 38.000 -0.539 0.000 1.051 147 I HN 0.153 nan 8.210 nan 0.000 0.409 148 F N 0.320 120.196 119.950 -0.123 0.000 2.216 148 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 148 F C 2.918 178.697 175.800 -0.036 0.000 1.085 148 F CA 1.411 59.413 58.000 0.003 0.000 1.326 148 F CB -1.174 37.857 39.000 0.051 0.000 1.027 148 F HN 0.022 nan 8.300 nan 0.000 0.497 149 S N 0.165 115.907 115.700 0.070 0.000 2.356 149 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 149 S C 2.182 176.704 174.600 -0.129 0.000 1.032 149 S CA 1.103 59.310 58.200 0.011 0.000 1.005 149 S CB -0.411 62.771 63.200 -0.030 0.000 0.867 149 S HN 0.341 nan 8.310 nan 0.000 0.449 150 L N 0.169 121.186 121.223 -0.344 0.000 2.093 150 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 150 L C 2.433 179.148 176.870 -0.260 0.000 1.085 150 L CA 1.616 56.158 54.840 -0.495 0.000 0.755 150 L CB -0.688 41.001 42.059 -0.617 0.000 0.904 150 L HN 0.476 nan 8.230 nan 0.000 0.435 151 H N -0.443 118.556 119.070 -0.118 0.000 2.321 151 H HA -0.159 4.397 4.556 -0.000 0.000 0.300 151 H C 2.349 177.664 175.328 -0.022 0.000 1.087 151 H CA 1.193 57.215 56.048 -0.042 0.000 1.319 151 H CB 0.156 29.962 29.762 0.072 0.000 1.379 151 H HN 0.201 nan 8.280 nan 0.000 0.501 152 L N -0.109 121.198 121.223 0.140 0.000 2.056 152 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 152 L C 2.844 179.754 176.870 0.066 0.000 1.078 152 L CA 0.939 55.832 54.840 0.088 0.000 0.749 152 L CB -0.674 41.436 42.059 0.084 0.000 0.901 152 L HN 0.346 nan 8.230 nan 0.000 0.433 153 A N 0.463 123.309 122.820 0.044 0.000 1.972 153 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 153 A C 2.389 180.012 177.584 0.065 0.000 1.169 153 A CA 1.649 53.726 52.037 0.066 0.000 0.635 153 A CB -1.041 17.937 19.000 -0.036 0.000 0.810 153 A HN 0.449 nan 8.150 nan 0.000 0.446 154 G N -0.541 108.265 108.800 0.009 0.000 2.404 154 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.215 154 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.215 154 G C 1.503 176.443 174.900 0.067 0.000 1.174 154 G CA 1.184 46.302 45.100 0.031 0.000 0.780 154 G HN 0.302 nan 8.290 nan 0.000 0.537 155 V N 0.977 120.928 119.914 0.061 0.000 2.343 155 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 155 V C 3.056 179.194 176.094 0.073 0.000 1.051 155 V CA 2.223 64.556 62.300 0.055 0.000 1.036 155 V CB -0.455 31.390 31.823 0.036 0.000 0.654 155 V HN 0.506 nan 8.190 nan 0.000 0.451 156 S N -0.197 115.553 115.700 0.083 0.000 2.359 156 S HA -0.245 4.225 4.470 -0.000 0.000 0.223 156 S C 2.203 176.891 174.600 0.147 0.000 1.039 156 S CA 2.384 60.648 58.200 0.106 0.000 1.042 156 S CB -0.350 62.909 63.200 0.098 0.000 0.915 156 S HN 0.597 nan 8.310 nan 0.000 0.439 157 S N 0.767 116.559 115.700 0.153 0.000 2.406 157 S HA 0.131 4.601 4.470 -0.000 0.000 0.228 157 S C 1.748 176.440 174.600 0.155 0.000 1.020 157 S CA 1.116 59.417 58.200 0.169 0.000 0.965 157 S CB -0.366 62.942 63.200 0.180 0.000 0.798 157 S HN 0.524 nan 8.310 nan 0.000 0.488 158 I N 1.276 121.923 120.570 0.127 0.000 2.252 158 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 158 I C 1.901 178.085 176.117 0.112 0.000 1.102 158 I CA 1.026 62.394 61.300 0.113 0.000 1.385 158 I CB -0.231 37.820 38.000 0.085 0.000 1.064 158 I HN 0.238 nan 8.210 nan 0.000 0.414 159 L N 0.069 121.353 121.223 0.102 0.000 2.141 159 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 159 L C 2.630 179.581 176.870 0.135 0.000 1.094 159 L CA 1.362 56.259 54.840 0.096 0.000 0.763 159 L CB -1.136 40.968 42.059 0.074 0.000 0.908 159 L HN 0.315 nan 8.230 nan 0.000 0.437 160 G N -0.224 108.676 108.800 0.167 0.000 2.422 160 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 160 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 160 G C 1.789 176.865 174.900 0.294 0.000 1.146 160 G CA 0.788 46.018 45.100 0.217 0.000 0.769 160 G HN 0.450 nan 8.290 nan 0.000 0.547 161 A N 0.779 123.747 122.820 0.246 0.000 1.898 161 A HA 0.078 4.398 4.320 -0.000 0.000 0.216 161 A C 2.385 180.089 177.584 0.200 0.000 1.181 161 A CA 1.187 53.363 52.037 0.232 0.000 0.620 161 A CB -0.337 18.762 19.000 0.165 0.000 0.819 161 A HN 0.369 nan 8.150 nan 0.000 0.442 162 I N -0.143 120.528 120.570 0.169 0.000 2.226 162 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 162 I C 2.460 178.705 176.117 0.213 0.000 1.100 162 I CA 1.305 62.709 61.300 0.174 0.000 1.374 162 I CB -0.412 37.676 38.000 0.147 0.000 1.057 162 I HN 0.348 nan 8.210 nan 0.000 0.413 163 N N 1.037 119.846 118.700 0.182 0.000 2.084 163 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 163 N C 1.896 177.305 175.510 -0.167 0.000 1.030 163 N CA 1.685 54.750 53.050 0.024 0.000 0.849 163 N CB -0.265 38.175 38.487 -0.077 0.000 1.012 163 N HN 0.208 nan 8.380 nan 0.000 0.423 164 F N 1.114 121.052 119.950 -0.020 0.000 2.102 164 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 164 F C 2.363 178.108 175.800 -0.091 0.000 1.105 164 F CA 0.748 58.705 58.000 -0.073 0.000 1.239 164 F CB -0.223 38.738 39.000 -0.064 0.000 0.991 164 F HN 0.011 nan 8.300 nan 0.000 0.474 165 I N -0.573 120.079 120.570 0.138 0.000 2.163 165 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 165 I C 2.278 178.383 176.117 -0.020 0.000 1.085 165 I CA 1.683 63.013 61.300 0.049 0.000 1.347 165 I CB -0.869 37.171 38.000 0.067 0.000 1.044 165 I HN 0.135 nan 8.210 nan 0.000 0.408 166 T N -0.053 114.483 114.554 -0.029 0.000 2.708 166 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 166 T C 1.914 176.494 174.700 -0.200 0.000 1.037 166 T CA 2.068 64.105 62.100 -0.104 0.000 1.146 166 T CB -0.465 68.324 68.868 -0.131 0.000 0.865 166 T HN 0.365 nan 8.240 nan 0.000 0.435 167 T N 2.203 116.606 114.554 -0.252 0.000 2.684 167 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 167 T C 1.990 176.577 174.700 -0.188 0.000 1.036 167 T CA 1.089 63.032 62.100 -0.261 0.000 1.148 167 T CB -0.457 68.239 68.868 -0.288 0.000 0.863 167 T HN 0.326 nan 8.240 nan 0.000 0.436 168 I N 0.526 121.011 120.570 -0.141 0.000 2.315 168 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 168 I C 2.091 178.094 176.117 -0.190 0.000 1.117 168 I CA 0.833 62.037 61.300 -0.160 0.000 1.404 168 I CB -0.272 37.638 38.000 -0.151 0.000 1.071 168 I HN 0.201 nan 8.210 nan 0.000 0.419 169 I N 0.468 120.942 120.570 -0.160 0.000 2.333 169 I HA -0.190 3.980 4.170 -0.000 0.000 0.246 169 I C 2.054 178.091 176.117 -0.134 0.000 1.106 169 I CA 1.563 62.774 61.300 -0.148 0.000 1.411 169 I CB -1.298 36.641 38.000 -0.101 0.000 1.082 169 I HN 0.275 nan 8.210 nan 0.000 0.420 170 N N 0.196 118.816 118.700 -0.133 0.000 2.356 170 N HA 0.079 4.819 4.740 -0.000 0.000 0.178 170 N C 1.130 176.558 175.510 -0.137 0.000 1.075 170 N CA 0.442 53.417 53.050 -0.124 0.000 0.889 170 N CB 0.221 38.635 38.487 -0.122 0.000 0.999 170 N HN 0.168 nan 8.380 nan 0.000 0.464 171 M N 0.051 119.554 119.600 -0.161 0.000 2.673 171 M HA 0.219 4.699 4.480 -0.000 0.000 0.334 171 M C -0.478 175.723 176.300 -0.166 0.000 1.211 171 M CA -0.187 55.014 55.300 -0.165 0.000 0.962 171 M CB 0.709 33.193 32.600 -0.194 0.000 1.343 171 M HN -0.158 nan 8.290 nan 0.000 0.511 172 K N 1.011 121.319 120.400 -0.153 0.000 2.090 172 K HA 0.480 4.800 4.320 -0.000 0.000 0.250 172 K C -2.447 174.076 176.600 -0.129 0.000 1.004 172 K CA -1.729 54.468 56.287 -0.150 0.000 0.919 172 K CB 0.087 32.502 32.500 -0.142 0.000 1.045 172 K HN -0.144 nan 8.250 nan 0.000 0.471 173 P HA 0.001 nan 4.420 nan 0.000 0.267 173 P C -2.105 175.140 177.300 -0.091 0.000 1.200 173 P CA -0.893 62.146 63.100 -0.102 0.000 0.772 173 P CB 0.103 31.749 31.700 -0.091 0.000 0.855 174 P HA -0.213 nan 4.420 nan 0.000 0.217 174 P C 0.965 178.222 177.300 -0.073 0.000 1.148 174 P CA 1.767 64.821 63.100 -0.077 0.000 0.828 174 P CB -0.200 31.454 31.700 -0.075 0.000 0.783 175 A N -1.640 121.131 122.820 -0.082 0.000 2.123 175 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 175 A C 1.280 178.836 177.584 -0.047 0.000 1.152 175 A CA 0.060 52.056 52.037 -0.068 0.000 0.728 175 A CB -0.896 18.051 19.000 -0.089 0.000 0.814 175 A HN 0.172 nan 8.150 nan 0.000 0.464 176 M N 2.193 121.760 119.600 -0.054 0.000 2.143 176 M HA 0.269 4.749 4.480 -0.000 0.000 0.348 176 M C 0.434 176.704 176.300 -0.050 0.000 1.375 176 M CA -0.211 55.064 55.300 -0.042 0.000 1.124 176 M CB 0.560 33.129 32.600 -0.052 0.000 1.669 176 M HN 0.414 nan 8.290 nan 0.000 0.469 177 S N 3.457 119.144 115.700 -0.022 0.000 2.655 177 S HA 0.155 4.625 4.470 -0.000 0.000 0.265 177 S C 0.643 175.179 174.600 -0.107 0.000 1.240 177 S CA -0.463 57.709 58.200 -0.048 0.000 0.986 177 S CB 1.334 64.551 63.200 0.028 0.000 0.985 177 S HN 0.826 nan 8.310 nan 0.000 0.562 178 Q N -0.416 119.227 119.800 -0.262 0.000 2.291 178 Q HA 0.031 4.371 4.340 -0.000 0.000 0.206 178 Q C 0.529 176.480 176.000 -0.082 0.000 0.976 178 Q CA 1.596 57.174 55.803 -0.375 0.000 0.875 178 Q CB -0.559 27.848 28.738 -0.553 0.000 0.927 178 Q HN 0.841 nan 8.270 nan 0.000 0.450 179 Y N -0.826 119.703 120.300 0.381 0.000 2.462 179 Y HA 0.181 4.731 4.550 -0.000 0.000 0.293 179 Y C 0.834 176.915 175.900 0.302 0.000 1.195 179 Y CA 0.218 58.633 58.100 0.525 0.000 1.276 179 Y CB 0.152 38.832 38.460 0.366 0.000 1.082 179 Y HN 0.109 nan 8.280 nan 0.000 0.514 180 Q N -0.451 119.502 119.800 0.256 0.000 2.139 180 Q HA 0.119 4.459 4.340 -0.000 0.000 0.219 180 Q C 0.328 176.403 176.000 0.125 0.000 0.805 180 Q CA -0.151 55.712 55.803 0.099 0.000 1.024 180 Q CB 0.858 29.624 28.738 0.047 0.000 1.163 180 Q HN 0.293 nan 8.270 nan 0.000 0.485 181 T N -2.178 112.516 114.554 0.233 0.000 2.907 181 T HA 0.593 4.943 4.350 -0.000 0.000 0.284 181 T C -2.563 172.392 174.700 0.425 0.000 1.004 181 T CA -2.252 59.957 62.100 0.181 0.000 1.063 181 T CB 1.502 70.329 68.868 -0.067 0.000 0.992 181 T HN -0.228 nan 8.240 nan 0.000 0.483 182 P HA 0.176 nan 4.420 nan 0.000 0.269 182 P C 1.032 178.740 177.300 0.681 0.000 1.215 182 P CA -0.449 62.978 63.100 0.546 0.000 0.780 182 P CB 0.418 32.477 31.700 0.598 0.000 0.898 183 L N 0.655 122.308 121.223 0.717 0.000 2.131 183 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 183 L C 2.117 179.341 176.870 0.590 0.000 1.092 183 L CA 1.334 56.538 54.840 0.607 0.000 0.759 183 L CB -0.616 41.706 42.059 0.438 0.000 0.903 183 L HN 0.387 nan 8.230 nan 0.000 0.435 184 F N 0.259 120.523 119.950 0.523 0.000 2.186 184 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 184 F C 2.197 178.072 175.800 0.125 0.000 1.090 184 F CA 1.254 59.341 58.000 0.145 0.000 1.307 184 F CB -0.256 38.578 39.000 -0.277 0.000 1.019 184 F HN -0.251 nan 8.300 nan 0.000 0.489 185 V N -0.974 118.989 119.914 0.081 0.000 2.343 185 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 185 V C 2.115 178.145 176.094 -0.107 0.000 1.051 185 V CA 2.055 64.298 62.300 -0.095 0.000 1.036 185 V CB -1.077 30.739 31.823 -0.011 0.000 0.654 185 V HN 0.490 nan 8.190 nan 0.000 0.451 186 W N 0.847 122.141 121.300 -0.010 0.000 2.358 186 W HA -0.227 4.433 4.660 -0.000 0.000 0.303 186 W C 3.025 179.505 176.519 -0.066 0.000 1.208 186 W CA 1.925 59.262 57.345 -0.014 0.000 1.274 186 W CB -0.420 29.057 29.460 0.028 0.000 1.138 186 W HN 0.371 nan 8.180 nan 0.000 0.515 187 S N -0.518 115.280 115.700 0.162 0.000 2.399 187 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 187 S C 1.680 176.192 174.600 -0.147 0.000 1.022 187 S CA 1.557 59.782 58.200 0.042 0.000 0.983 187 S CB -0.979 62.265 63.200 0.074 0.000 0.803 187 S HN 0.063 nan 8.310 nan 0.000 0.480 188 V N 1.823 121.508 119.914 -0.381 0.000 2.453 188 V HA -0.055 4.065 4.120 -0.000 0.000 0.247 188 V C 2.587 178.516 176.094 -0.274 0.000 1.048 188 V CA 1.985 63.990 62.300 -0.491 0.000 1.049 188 V CB -0.724 30.627 31.823 -0.786 0.000 0.672 188 V HN 0.606 nan 8.190 nan 0.000 0.457 189 M N -0.239 119.270 119.600 -0.150 0.000 2.099 189 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 189 M C 2.068 178.383 176.300 0.024 0.000 1.067 189 M CA 2.080 57.346 55.300 -0.055 0.000 1.124 189 M CB -0.241 32.309 32.600 -0.083 0.000 1.353 189 M HN 0.229 nan 8.290 nan 0.000 0.410 190 I N -0.306 120.316 120.570 0.086 0.000 2.226 190 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 190 I C 2.135 178.301 176.117 0.082 0.000 1.100 190 I CA 1.598 62.974 61.300 0.127 0.000 1.374 190 I CB -0.791 37.310 38.000 0.169 0.000 1.057 190 I HN 0.358 nan 8.210 nan 0.000 0.413 191 T N 0.759 115.322 114.554 0.015 0.000 2.746 191 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 191 T C 2.061 176.765 174.700 0.007 0.000 1.039 191 T CA 1.498 63.589 62.100 -0.015 0.000 1.142 191 T CB -0.312 68.497 68.868 -0.098 0.000 0.866 191 T HN 0.492 nan 8.240 nan 0.000 0.444 192 A N 0.845 123.659 122.820 -0.010 0.000 1.933 192 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 192 A C 2.575 180.219 177.584 0.100 0.000 1.175 192 A CA 1.268 53.335 52.037 0.051 0.000 0.628 192 A CB -0.951 18.094 19.000 0.075 0.000 0.814 192 A HN 0.363 nan 8.150 nan 0.000 0.444 193 V N 0.366 120.343 119.914 0.105 0.000 2.343 193 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 193 V C 2.549 178.761 176.094 0.196 0.000 1.051 193 V CA 1.837 64.217 62.300 0.134 0.000 1.036 193 V CB -0.711 31.192 31.823 0.133 0.000 0.654 193 V HN 0.571 nan 8.190 nan 0.000 0.451 194 L N -0.841 120.513 121.223 0.219 0.000 2.046 194 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 194 L C 2.441 179.456 176.870 0.242 0.000 1.077 194 L CA 1.560 56.578 54.840 0.298 0.000 0.747 194 L CB -0.656 41.480 42.059 0.129 0.000 0.896 194 L HN 0.320 nan 8.230 nan 0.000 0.432 195 L N -0.548 120.771 121.223 0.162 0.000 2.046 195 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 195 L C 2.597 179.581 176.870 0.190 0.000 1.077 195 L CA 0.881 55.822 54.840 0.169 0.000 0.747 195 L CB -0.409 41.732 42.059 0.136 0.000 0.896 195 L HN 0.217 nan 8.230 nan 0.000 0.432 196 L N -0.472 120.853 121.223 0.170 0.000 2.083 196 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 196 L C 2.184 179.149 176.870 0.158 0.000 1.083 196 L CA 1.783 56.711 54.840 0.145 0.000 0.752 196 L CB -0.180 41.951 42.059 0.120 0.000 0.899 196 L HN 0.134 nan 8.230 nan 0.000 0.433 197 L N -1.766 119.584 121.223 0.211 0.000 2.249 197 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 197 L C 2.494 179.579 176.870 0.359 0.000 1.090 197 L CA 0.917 55.892 54.840 0.224 0.000 0.802 197 L CB -0.537 41.584 42.059 0.103 0.000 0.947 197 L HN 0.386 nan 8.230 nan 0.000 0.453 198 S N -0.209 115.739 115.700 0.415 0.000 2.404 198 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 198 S C 1.954 176.784 174.600 0.383 0.000 1.040 198 S CA 0.220 58.662 58.200 0.403 0.000 0.957 198 S CB -0.555 62.765 63.200 0.200 0.000 0.826 198 S HN 0.261 nan 8.310 nan 0.000 0.491 199 L N 1.771 123.181 121.223 0.313 0.000 2.079 199 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 199 L C -0.783 176.102 176.870 0.025 0.000 1.081 199 L CA 1.204 56.117 54.840 0.122 0.000 0.752 199 L CB -1.408 40.720 42.059 0.115 0.000 0.896 199 L HN 0.296 nan 8.230 nan 0.000 0.433 200 P HA -0.105 nan 4.420 nan 0.000 0.220 200 P C 1.812 179.119 177.300 0.011 0.000 1.148 200 P CA 0.933 64.055 63.100 0.037 0.000 0.803 200 P CB 0.141 31.872 31.700 0.052 0.000 0.782 201 V N -0.477 119.469 119.914 0.054 0.000 2.379 201 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 201 V C 2.315 178.367 176.094 -0.071 0.000 1.044 201 V CA 1.304 63.614 62.300 0.017 0.000 1.036 201 V CB -1.164 30.747 31.823 0.145 0.000 0.664 201 V HN 0.062 nan 8.190 nan 0.000 0.453 202 L N 1.202 122.340 121.223 -0.143 0.000 2.046 202 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 202 L C 2.469 179.194 176.870 -0.242 0.000 1.077 202 L CA 2.385 57.009 54.840 -0.360 0.000 0.747 202 L CB -0.890 40.625 42.059 -0.906 0.000 0.896 202 L HN 0.203 nan 8.230 nan 0.000 0.432 203 A N -0.293 122.435 122.820 -0.154 0.000 1.908 203 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 203 A C 2.472 180.064 177.584 0.014 0.000 1.181 203 A CA 2.055 54.083 52.037 -0.015 0.000 0.627 203 A CB -1.268 17.758 19.000 0.042 0.000 0.818 203 A HN 0.627 nan 8.150 nan 0.000 0.445 204 A N -0.530 122.266 122.820 -0.039 0.000 1.877 204 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 204 A C 2.468 180.011 177.584 -0.068 0.000 1.186 204 A CA 2.042 54.042 52.037 -0.061 0.000 0.620 204 A CB -1.492 17.456 19.000 -0.088 0.000 0.822 204 A HN 0.768 nan 8.150 nan 0.000 0.443 205 G N 0.711 109.466 108.800 -0.076 0.000 2.421 205 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 205 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 205 G C 1.522 176.485 174.900 0.104 0.000 1.171 205 G CA 1.304 46.389 45.100 -0.025 0.000 0.775 205 G HN 0.870 nan 8.290 nan 0.000 0.543 206 I N -1.744 118.837 120.570 0.019 0.000 2.676 206 I HA 0.030 4.200 4.170 -0.000 0.000 0.259 206 I C 2.263 178.391 176.117 0.018 0.000 1.194 206 I CA 1.479 62.796 61.300 0.027 0.000 1.473 206 I CB -0.582 37.314 38.000 -0.173 0.000 1.096 206 I HN -0.070 nan 8.210 nan 0.000 0.443 207 T N 1.435 116.029 114.554 0.067 0.000 2.857 207 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 207 T C 1.910 176.639 174.700 0.049 0.000 1.048 207 T CA 1.561 63.726 62.100 0.108 0.000 1.139 207 T CB -0.164 68.771 68.868 0.112 0.000 0.874 207 T HN 0.326 nan 8.240 nan 0.000 0.455 208 M N 0.327 119.916 119.600 -0.017 0.000 2.229 208 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 208 M C 2.173 178.586 176.300 0.189 0.000 1.063 208 M CA 1.055 56.266 55.300 -0.148 0.000 1.114 208 M CB -0.343 31.890 32.600 -0.611 0.000 1.387 208 M HN 0.166 nan 8.290 nan 0.000 0.420 209 L N 0.437 121.885 121.223 0.374 0.000 2.056 209 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 209 L C 2.122 179.075 176.870 0.138 0.000 1.078 209 L CA 1.520 56.566 54.840 0.345 0.000 0.749 209 L CB -0.670 41.511 42.059 0.203 0.000 0.901 209 L HN 0.200 nan 8.230 nan 0.000 0.433 210 L N -0.694 120.566 121.223 0.061 0.000 2.046 210 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 210 L C 2.569 179.474 176.870 0.058 0.000 1.077 210 L CA 2.469 57.306 54.840 -0.004 0.000 0.747 210 L CB -0.936 41.090 42.059 -0.056 0.000 0.896 210 L HN 0.605 nan 8.230 nan 0.000 0.432 211 T N -4.702 109.917 114.554 0.108 0.000 2.857 211 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 211 T C 1.650 176.416 174.700 0.110 0.000 1.048 211 T CA 1.171 63.347 62.100 0.125 0.000 1.139 211 T CB -0.604 68.377 68.868 0.189 0.000 0.874 211 T HN 0.265 nan 8.240 nan 0.000 0.455 212 D N 1.310 121.793 120.400 0.138 0.000 2.144 212 D HA 0.017 4.657 4.640 -0.000 0.000 0.199 212 D C 2.456 178.799 176.300 0.070 0.000 0.984 212 D CA 0.858 54.916 54.000 0.097 0.000 0.834 212 D CB -0.165 40.724 40.800 0.148 0.000 0.955 212 D HN 0.433 nan 8.370 nan 0.000 0.465 213 R N -0.307 120.235 120.500 0.070 0.000 2.153 213 R HA 0.137 4.477 4.340 -0.000 0.000 0.218 213 R C 1.123 177.449 176.300 0.043 0.000 1.072 213 R CA 0.726 56.855 56.100 0.049 0.000 0.990 213 R CB 0.199 30.517 30.300 0.029 0.000 0.889 213 R HN 0.170 nan 8.270 nan 0.000 0.452 214 N N -0.877 117.853 118.700 0.048 0.000 2.211 214 N HA 0.114 4.854 4.740 -0.000 0.000 0.216 214 N C 0.673 176.211 175.510 0.046 0.000 1.240 214 N CA 0.263 53.343 53.050 0.050 0.000 0.895 214 N CB 1.162 39.688 38.487 0.065 0.000 1.102 214 N HN 0.095 nan 8.380 nan 0.000 0.498 215 L N 0.789 122.039 121.223 0.044 0.000 2.959 215 L HA 0.288 4.628 4.340 -0.000 0.000 0.259 215 L C -0.193 176.682 176.870 0.008 0.000 1.185 215 L CA -0.039 54.820 54.840 0.032 0.000 0.998 215 L CB 0.056 42.142 42.059 0.045 0.000 1.337 215 L HN -0.062 nan 8.230 nan 0.000 0.555 216 N N 0.768 119.470 118.700 0.004 0.000 2.747 216 N HA -0.137 4.603 4.740 -0.000 0.000 0.249 216 N C 0.512 175.983 175.510 -0.064 0.000 1.107 216 N CA 1.339 54.376 53.050 -0.021 0.000 0.707 216 N CB -1.354 37.122 38.487 -0.019 0.000 1.054 216 N HN 0.559 nan 8.380 nan 0.000 0.555 217 T N -2.639 111.868 114.554 -0.078 0.000 2.788 217 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 217 T C 1.132 175.698 174.700 -0.223 0.000 0.984 217 T CA 0.268 62.238 62.100 -0.217 0.000 0.972 217 T CB 1.710 70.428 68.868 -0.249 0.000 1.039 217 T HN 0.258 nan 8.240 nan 0.000 0.530 218 T N -1.737 112.583 114.554 -0.391 0.000 3.823 218 T HA 0.322 4.672 4.350 -0.000 0.000 0.261 218 T C 0.538 175.055 174.700 -0.304 0.000 0.983 218 T CA -0.671 61.281 62.100 -0.246 0.000 1.151 218 T CB -1.018 67.755 68.868 -0.158 0.000 1.062 218 T HN 0.464 nan 8.240 nan 0.000 0.542 219 F N 0.697 120.433 119.950 -0.356 0.000 2.161 219 F HA 0.114 4.641 4.527 -0.000 0.000 0.300 219 F C 1.213 176.713 175.800 -0.500 0.000 1.089 219 F CA 1.103 58.754 58.000 -0.582 0.000 1.282 219 F CB -0.265 38.061 39.000 -1.124 0.000 1.010 219 F HN 0.373 nan 8.300 nan 0.000 0.485 220 F N -1.607 118.473 119.950 0.216 0.000 2.683 220 F HA 0.227 4.754 4.527 -0.000 0.000 0.306 220 F C 0.021 175.862 175.800 0.069 0.000 1.102 220 F CA -0.936 57.143 58.000 0.133 0.000 1.244 220 F CB -0.238 38.831 39.000 0.115 0.000 1.029 220 F HN -0.281 nan 8.300 nan 0.000 0.545 221 D N 1.451 121.935 120.400 0.141 0.000 2.392 221 D HA 0.276 4.916 4.640 -0.000 0.000 0.228 221 D C -1.999 174.333 176.300 0.053 0.000 1.074 221 D CA -2.507 51.544 54.000 0.085 0.000 0.838 221 D CB 2.135 42.959 40.800 0.040 0.000 1.067 221 D HN -0.113 nan 8.370 nan 0.000 0.511 222 P HA -0.131 nan 4.420 nan 0.000 0.217 222 P C 1.021 178.336 177.300 0.025 0.000 1.148 222 P CA 1.316 64.444 63.100 0.047 0.000 0.828 222 P CB 0.243 31.973 31.700 0.051 0.000 0.783 223 A N -0.304 122.528 122.820 0.020 0.000 1.978 223 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 223 A C 2.219 179.798 177.584 -0.008 0.000 1.170 223 A CA 2.009 54.050 52.037 0.007 0.000 0.636 223 A CB -1.631 17.373 19.000 0.007 0.000 0.810 223 A HN 0.332 nan 8.150 nan 0.000 0.448 224 G N -2.749 106.039 108.800 -0.021 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 0.997 175.870 174.900 -0.046 0.000 1.137 224 G CA 0.478 45.550 45.100 -0.047 0.000 0.763 224 G HN 1.608 nan 8.290 nan 0.000 0.549 225 G N -1.119 107.671 108.800 -0.017 0.000 2.157 225 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.239 225 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.239 225 G C 0.790 175.697 174.900 0.010 0.000 0.982 225 G CA 0.174 45.271 45.100 -0.004 0.000 0.650 225 G HN 0.974 nan 8.290 nan 0.000 0.527 226 G N -0.868 107.939 108.800 0.012 0.000 2.588 226 G HA2 0.509 4.469 3.960 -0.000 0.000 0.278 226 G HA3 0.509 4.469 3.960 -0.000 0.000 0.278 226 G C -0.746 174.226 174.900 0.120 0.000 1.307 226 G CA 0.568 45.701 45.100 0.055 0.000 1.016 226 G HN 0.483 nan 8.290 nan 0.000 0.503 227 D N -1.538 118.988 120.400 0.211 0.000 2.891 227 D HA 0.339 4.979 4.640 -0.000 0.000 0.224 227 D C -2.083 174.393 176.300 0.293 0.000 1.321 227 D CA -1.612 52.517 54.000 0.214 0.000 0.929 227 D CB 2.229 43.146 40.800 0.195 0.000 1.551 227 D HN -0.054 nan 8.370 nan 0.000 0.574 228 P HA -0.046 nan 4.420 nan 0.000 0.218 228 P C 1.555 178.844 177.300 -0.018 0.000 1.149 228 P CA 0.444 63.590 63.100 0.076 0.000 0.817 228 P CB 0.333 32.043 31.700 0.017 0.000 0.785 229 I N -1.233 119.354 120.570 0.028 0.000 2.493 229 I HA -0.144 4.026 4.170 -0.000 0.000 0.254 229 I C 2.108 178.263 176.117 0.063 0.000 1.160 229 I CA 0.936 62.222 61.300 -0.022 0.000 1.445 229 I CB -1.655 36.361 38.000 0.027 0.000 1.086 229 I HN 0.007 nan 8.210 nan 0.000 0.433 230 L N 0.713 122.071 121.223 0.224 0.000 2.042 230 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 230 L C 2.633 179.614 176.870 0.184 0.000 1.076 230 L CA 1.860 56.898 54.840 0.330 0.000 0.749 230 L CB -1.188 41.144 42.059 0.455 0.000 0.893 230 L HN 0.248 nan 8.230 nan 0.000 0.432 231 Y N 0.275 120.431 120.300 -0.240 0.000 2.165 231 Y HA -0.311 4.239 4.550 -0.000 0.000 0.286 231 Y C 2.560 178.273 175.900 -0.311 0.000 1.155 231 Y CA 2.270 59.980 58.100 -0.649 0.000 1.164 231 Y CB -0.278 37.384 38.460 -1.330 0.000 0.978 231 Y HN 0.409 nan 8.280 nan 0.000 0.513 232 Q N -1.127 118.550 119.800 -0.204 0.000 2.096 232 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 232 Q C 2.063 178.103 176.000 0.068 0.000 0.982 232 Q CA 1.558 57.266 55.803 -0.158 0.000 0.850 232 Q CB -0.355 28.218 28.738 -0.276 0.000 0.901 232 Q HN 0.621 nan 8.270 nan 0.000 0.422 233 H N 0.506 119.658 119.070 0.137 0.000 2.321 233 H HA -0.070 4.486 4.556 -0.000 0.000 0.300 233 H C 2.222 177.528 175.328 -0.035 0.000 1.087 233 H CA 1.165 57.339 56.048 0.210 0.000 1.319 233 H CB -0.165 29.727 29.762 0.217 0.000 1.379 233 H HN 0.211 nan 8.280 nan 0.000 0.501 234 L N -0.600 120.620 121.223 -0.005 0.000 2.056 234 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 234 L C 2.537 179.289 176.870 -0.196 0.000 1.078 234 L CA 1.070 55.827 54.840 -0.138 0.000 0.749 234 L CB -0.547 41.407 42.059 -0.175 0.000 0.901 234 L HN 0.103 nan 8.230 nan 0.000 0.433 235 F N -0.172 119.467 119.950 -0.518 0.000 2.075 235 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 235 F C 2.054 177.624 175.800 -0.382 0.000 1.113 235 F CA 1.499 59.147 58.000 -0.586 0.000 1.218 235 F CB -0.386 38.059 39.000 -0.926 0.000 0.984 235 F HN -0.041 nan 8.300 nan 0.000 0.472 236 W N -1.020 120.338 121.300 0.097 0.000 2.465 236 W HA -0.122 4.538 4.660 -0.000 0.000 0.268 236 W C 2.237 178.724 176.519 -0.053 0.000 1.242 236 W CA 0.551 57.925 57.345 0.047 0.000 1.248 236 W CB -0.641 28.985 29.460 0.276 0.000 1.118 236 W HN 0.099 nan 8.180 nan 0.000 0.587 237 F N -0.092 119.766 119.950 -0.155 0.000 2.216 237 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 237 F C 2.162 177.879 175.800 -0.138 0.000 1.085 237 F CA 1.717 59.510 58.000 -0.345 0.000 1.326 237 F CB -0.445 38.222 39.000 -0.556 0.000 1.027 237 F HN -0.027 nan 8.300 nan 0.000 0.497 238 F N 0.180 119.972 119.950 -0.263 0.000 2.220 238 F HA 0.216 4.743 4.527 -0.000 0.000 0.290 238 F C 2.288 177.849 175.800 -0.398 0.000 1.080 238 F CA 1.302 59.101 58.000 -0.335 0.000 1.318 238 F CB -1.216 37.559 39.000 -0.376 0.000 1.063 238 F HN -0.114 nan 8.300 nan 0.000 0.498 239 G N -0.350 107.928 108.800 -0.870 0.000 2.513 239 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.219 239 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.219 239 G C 1.488 176.172 174.900 -0.360 0.000 1.160 239 G CA 1.583 46.215 45.100 -0.779 0.000 0.767 239 G HN 0.570 nan 8.290 nan 0.000 0.571 240 H N 1.622 120.650 119.070 -0.070 0.000 2.333 240 H HA 0.026 4.582 4.556 -0.000 0.000 0.302 240 H C 0.240 175.500 175.328 -0.113 0.000 1.075 240 H CA 1.452 57.519 56.048 0.032 0.000 1.348 240 H CB -0.631 29.238 29.762 0.178 0.000 1.393 240 H HN 0.277 nan 8.280 nan 0.000 0.509 241 P HA -0.170 nan 4.420 nan 0.000 0.216 241 P C 1.244 178.265 177.300 -0.464 0.000 1.150 241 P CA 1.969 64.769 63.100 -0.500 0.000 0.843 241 P CB 0.028 31.197 31.700 -0.885 0.000 0.787 242 E N 0.007 119.779 120.200 -0.713 0.000 2.118 242 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 242 E C 1.709 178.013 176.600 -0.493 0.000 0.992 242 E CA 1.563 57.563 56.400 -0.665 0.000 0.804 242 E CB -1.194 27.915 29.700 -0.985 0.000 0.741 242 E HN 0.140 nan 8.360 nan 0.000 0.458 243 V N -1.274 118.300 119.914 -0.566 0.000 2.515 243 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 243 V C 1.845 177.558 176.094 -0.635 0.000 1.058 243 V CA 1.616 63.560 62.300 -0.593 0.000 1.064 243 V CB -1.047 30.396 31.823 -0.633 0.000 0.675 243 V HN 0.228 nan 8.190 nan 0.000 0.461 244 Y N 0.301 120.423 120.300 -0.297 0.000 2.395 244 Y HA 0.212 4.762 4.550 -0.000 0.000 0.293 244 Y C 2.320 178.101 175.900 -0.198 0.000 1.123 244 Y CA 1.339 59.331 58.100 -0.181 0.000 1.227 244 Y CB -0.406 37.999 38.460 -0.092 0.000 1.012 244 Y HN 0.197 nan 8.280 nan 0.000 0.552 245 I N -0.605 119.883 120.570 -0.136 0.000 2.315 245 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 245 I C 1.836 177.854 176.117 -0.166 0.000 1.117 245 I CA 1.228 62.451 61.300 -0.130 0.000 1.404 245 I CB -0.257 37.658 38.000 -0.142 0.000 1.071 245 I HN 0.207 nan 8.210 nan 0.000 0.419 246 L N -0.466 120.617 121.223 -0.233 0.000 2.217 246 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 246 L C 2.260 179.012 176.870 -0.196 0.000 1.107 246 L CA 0.839 55.546 54.840 -0.222 0.000 0.783 246 L CB -0.102 41.783 42.059 -0.290 0.000 0.919 246 L HN 0.239 nan 8.230 nan 0.000 0.442 247 I N -1.136 119.274 120.570 -0.267 0.000 3.526 247 I HA -0.053 4.117 4.170 -0.000 0.000 0.294 247 I C 2.023 177.809 176.117 -0.552 0.000 1.229 247 I CA 0.786 61.855 61.300 -0.385 0.000 1.408 247 I CB 0.181 37.879 38.000 -0.504 0.000 1.127 247 I HN 0.008 nan 8.210 nan 0.000 0.439 248 L N 1.270 122.272 121.223 -0.368 0.000 1.990 248 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 248 L C -0.426 176.432 176.870 -0.021 0.000 1.072 248 L CA 1.913 56.645 54.840 -0.179 0.000 0.755 248 L CB -1.833 40.217 42.059 -0.015 0.000 0.889 248 L HN 0.192 nan 8.230 nan 0.000 0.432 249 P HA -0.112 nan 4.420 nan 0.000 0.220 249 P C 1.471 178.887 177.300 0.193 0.000 1.148 249 P CA 1.542 64.698 63.100 0.093 0.000 0.803 249 P CB -0.146 31.599 31.700 0.076 0.000 0.782 250 G N -1.200 107.624 108.800 0.040 0.000 2.404 250 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 250 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 250 G C 1.452 176.339 174.900 -0.021 0.000 1.174 250 G CA 0.247 45.333 45.100 -0.025 0.000 0.780 250 G HN 0.226 nan 8.290 nan 0.000 0.537 251 F N 1.337 121.281 119.950 -0.009 0.000 2.126 251 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 251 F C 3.010 178.945 175.800 0.224 0.000 1.096 251 F CA 0.339 58.419 58.000 0.134 0.000 1.255 251 F CB -0.139 39.030 39.000 0.282 0.000 0.997 251 F HN 0.276 nan 8.300 nan 0.000 0.479 252 G N 0.220 109.292 108.800 0.455 0.000 2.421 252 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 252 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 252 G C 1.576 176.770 174.900 0.489 0.000 1.171 252 G CA 0.736 46.148 45.100 0.520 0.000 0.775 252 G HN 0.217 nan 8.290 nan 0.000 0.543 253 M N 0.112 119.890 119.600 0.295 0.000 2.175 253 M HA 0.030 4.510 4.480 -0.000 0.000 0.264 253 M C 2.449 178.758 176.300 0.015 0.000 1.063 253 M CA 0.816 56.163 55.300 0.079 0.000 1.119 253 M CB -0.291 32.242 32.600 -0.112 0.000 1.377 253 M HN 0.106 nan 8.290 nan 0.000 0.415 254 I N -0.020 120.450 120.570 -0.168 0.000 2.226 254 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 254 I C 2.444 178.407 176.117 -0.257 0.000 1.100 254 I CA 1.458 62.481 61.300 -0.461 0.000 1.374 254 I CB -1.277 36.034 38.000 -1.148 0.000 1.057 254 I HN 0.230 nan 8.210 nan 0.000 0.413 255 S N -0.467 115.304 115.700 0.119 0.000 2.370 255 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 255 S C 1.886 176.649 174.600 0.273 0.000 1.033 255 S CA 1.093 59.519 58.200 0.377 0.000 1.011 255 S CB -0.439 63.101 63.200 0.566 0.000 0.852 255 S HN 0.511 nan 8.310 nan 0.000 0.457 256 H N 0.189 119.365 119.070 0.176 0.000 2.363 256 H HA 0.085 4.641 4.556 -0.000 0.000 0.301 256 H C 2.133 177.434 175.328 -0.044 0.000 1.074 256 H CA 1.251 57.396 56.048 0.162 0.000 1.354 256 H CB -0.109 29.842 29.762 0.315 0.000 1.397 256 H HN 0.344 nan 8.280 nan 0.000 0.516 257 I N 0.296 120.831 120.570 -0.058 0.000 2.202 257 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 257 I C 2.502 178.606 176.117 -0.022 0.000 1.091 257 I CA 0.716 61.888 61.300 -0.214 0.000 1.368 257 I CB -0.152 37.715 38.000 -0.221 0.000 1.058 257 I HN 0.007 nan 8.210 nan 0.000 0.410 258 V N 0.461 120.354 119.914 -0.034 0.000 2.343 258 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 258 V C 2.502 178.619 176.094 0.039 0.000 1.051 258 V CA 2.411 64.712 62.300 0.002 0.000 1.036 258 V CB -0.863 30.946 31.823 -0.023 0.000 0.654 258 V HN 0.471 nan 8.190 nan 0.000 0.451 259 T N -1.157 113.432 114.554 0.058 0.000 2.708 259 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 259 T C 1.733 176.409 174.700 -0.039 0.000 1.037 259 T CA 2.076 64.202 62.100 0.043 0.000 1.146 259 T CB -0.360 68.545 68.868 0.062 0.000 0.865 259 T HN 0.549 nan 8.240 nan 0.000 0.435 260 Y N 0.678 120.854 120.300 -0.208 0.000 2.114 260 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 260 Y C 1.823 177.431 175.900 -0.486 0.000 1.143 260 Y CA 1.406 59.269 58.100 -0.395 0.000 1.135 260 Y CB -0.335 37.738 38.460 -0.645 0.000 0.980 260 Y HN 0.245 nan 8.280 nan 0.000 0.499 261 Y N -1.107 119.202 120.300 0.015 0.000 2.578 261 Y HA 0.009 4.559 4.550 -0.000 0.000 0.297 261 Y C 2.190 177.994 175.900 -0.160 0.000 1.176 261 Y CA 0.839 58.893 58.100 -0.077 0.000 1.315 261 Y CB -0.205 38.199 38.460 -0.092 0.000 1.031 261 Y HN 0.023 nan 8.280 nan 0.000 0.524 262 S N -1.020 114.642 115.700 -0.063 0.000 2.575 262 S HA 0.200 4.670 4.470 -0.000 0.000 0.215 262 S C 1.716 176.250 174.600 -0.110 0.000 0.966 262 S CA 0.565 58.718 58.200 -0.077 0.000 0.911 262 S CB -0.147 63.032 63.200 -0.034 0.000 0.780 262 S HN 0.646 nan 8.310 nan 0.000 0.514 263 G N 1.726 110.413 108.800 -0.189 0.000 2.198 263 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 263 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 263 G C -0.101 174.701 174.900 -0.163 0.000 1.025 263 G CA 0.271 45.238 45.100 -0.222 0.000 0.769 263 G HN 0.365 nan 8.290 nan 0.000 0.507 264 K N -0.245 120.075 120.400 -0.133 0.000 2.098 264 K HA 0.563 4.883 4.320 -0.000 0.000 0.258 264 K C 1.468 178.027 176.600 -0.069 0.000 0.973 264 K CA -0.287 55.961 56.287 -0.065 0.000 0.898 264 K CB 0.950 33.449 32.500 -0.003 0.000 1.057 264 K HN 0.272 nan 8.250 nan 0.000 0.447 265 K N 1.215 121.594 120.400 -0.034 0.000 2.400 265 K HA 0.032 4.352 4.320 -0.000 0.000 0.194 265 K C -0.362 176.245 176.600 0.012 0.000 1.033 265 K CA 0.542 56.818 56.287 -0.020 0.000 1.021 265 K CB 0.175 32.666 32.500 -0.013 0.000 0.808 265 K HN 0.635 nan 8.250 nan 0.000 0.505 266 E N 0.558 120.776 120.200 0.029 0.000 2.401 266 E HA 0.326 4.676 4.350 -0.000 0.000 0.280 266 E C -3.100 173.564 176.600 0.106 0.000 1.039 266 E CA -2.325 54.110 56.400 0.059 0.000 0.814 266 E CB 1.572 31.296 29.700 0.040 0.000 1.275 266 E HN -0.171 nan 8.360 nan 0.000 0.448 267 P HA 0.130 nan 4.420 nan 0.000 0.277 267 P C -0.671 176.770 177.300 0.236 0.000 1.240 267 P CA -0.401 62.832 63.100 0.221 0.000 0.798 267 P CB 0.497 32.349 31.700 0.253 0.000 0.979 268 F N 1.801 121.826 119.950 0.125 0.000 2.529 268 F HA 0.353 4.880 4.527 -0.000 0.000 0.365 268 F C 1.342 177.194 175.800 0.085 0.000 1.102 268 F CA 1.193 59.253 58.000 0.099 0.000 1.271 268 F CB -0.061 38.996 39.000 0.096 0.000 1.120 268 F HN 0.699 nan 8.300 nan 0.000 0.579 269 G N 6.078 114.551 108.800 -0.545 0.000 2.372 269 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.297 269 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.297 269 G C 0.339 175.226 174.900 -0.022 0.000 1.005 269 G CA 0.689 45.604 45.100 -0.308 0.000 1.173 269 G HN 1.063 nan 8.290 nan 0.000 0.511 270 Y N 0.613 120.861 120.300 -0.087 0.000 2.081 270 Y HA -0.265 4.285 4.550 -0.000 0.000 0.280 270 Y C 2.659 178.535 175.900 -0.040 0.000 1.163 270 Y CA 2.639 60.730 58.100 -0.015 0.000 1.135 270 Y CB -0.078 38.394 38.460 0.020 0.000 0.970 270 Y HN 0.416 nan 8.280 nan 0.000 0.498 271 M N -0.107 119.535 119.600 0.070 0.000 2.213 271 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 271 M C 2.406 178.642 176.300 -0.107 0.000 1.062 271 M CA 1.424 56.682 55.300 -0.069 0.000 1.105 271 M CB -1.909 30.671 32.600 -0.034 0.000 1.385 271 M HN 0.504 nan 8.290 nan 0.000 0.417 272 G N -0.299 108.461 108.800 -0.066 0.000 2.422 272 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 272 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 272 G C 1.540 176.474 174.900 0.058 0.000 1.140 272 G CA 0.399 45.508 45.100 0.015 0.000 0.775 272 G HN 0.262 nan 8.290 nan 0.000 0.545 273 M N 0.432 119.978 119.600 -0.089 0.000 2.156 273 M HA 0.037 4.517 4.480 -0.000 0.000 0.264 273 M C 2.731 178.889 176.300 -0.237 0.000 1.067 273 M CA 0.682 55.890 55.300 -0.154 0.000 1.131 273 M CB -0.949 31.559 32.600 -0.154 0.000 1.368 273 M HN 0.106 nan 8.290 nan 0.000 0.416 274 V N -0.961 118.698 119.914 -0.426 0.000 2.307 274 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 274 V C 2.094 177.978 176.094 -0.350 0.000 1.045 274 V CA 1.847 63.752 62.300 -0.659 0.000 1.024 274 V CB -0.823 30.381 31.823 -1.033 0.000 0.651 274 V HN 0.631 nan 8.190 nan 0.000 0.449 275 W N 1.213 122.314 121.300 -0.332 0.000 2.335 275 W HA -0.248 4.412 4.660 -0.000 0.000 0.311 275 W C 2.424 178.863 176.519 -0.133 0.000 1.213 275 W CA 2.350 59.576 57.345 -0.200 0.000 1.274 275 W CB -0.450 28.917 29.460 -0.155 0.000 1.148 275 W HN 0.190 nan 8.180 nan 0.000 0.498 276 A N 0.394 123.120 122.820 -0.156 0.000 1.902 276 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 276 A C 2.064 179.466 177.584 -0.302 0.000 1.181 276 A CA 2.219 54.032 52.037 -0.374 0.000 0.623 276 A CB -0.899 18.031 19.000 -0.118 0.000 0.818 276 A HN 0.435 nan 8.150 nan 0.000 0.443 277 M N -1.352 118.146 119.600 -0.169 0.000 2.175 277 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 277 M C 2.382 178.644 176.300 -0.062 0.000 1.063 277 M CA 1.376 56.656 55.300 -0.034 0.000 1.119 277 M CB -0.432 32.192 32.600 0.040 0.000 1.377 277 M HN 0.420 nan 8.290 nan 0.000 0.415 278 M N -0.643 118.867 119.600 -0.149 0.000 2.132 278 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 278 M C 2.265 178.491 176.300 -0.123 0.000 1.065 278 M CA 1.395 56.639 55.300 -0.093 0.000 1.122 278 M CB -0.414 32.122 32.600 -0.108 0.000 1.365 278 M HN 0.202 nan 8.290 nan 0.000 0.411 279 S N 0.983 116.471 115.700 -0.353 0.000 2.368 279 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 279 S C 1.813 176.320 174.600 -0.154 0.000 1.030 279 S CA 1.140 59.138 58.200 -0.338 0.000 0.999 279 S CB -0.370 62.346 63.200 -0.805 0.000 0.844 279 S HN 0.365 nan 8.310 nan 0.000 0.459 280 I N 1.502 121.961 120.570 -0.185 0.000 2.226 280 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 280 I C 2.657 178.671 176.117 -0.172 0.000 1.100 280 I CA 1.191 62.396 61.300 -0.159 0.000 1.374 280 I CB -0.759 37.234 38.000 -0.011 0.000 1.057 280 I HN 0.376 nan 8.210 nan 0.000 0.413 281 G N 0.429 109.214 108.800 -0.025 0.000 2.418 281 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 281 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 281 G C 1.568 176.573 174.900 0.175 0.000 1.158 281 G CA 0.541 45.683 45.100 0.070 0.000 0.771 281 G HN 0.329 nan 8.290 nan 0.000 0.545 282 F N 1.273 121.246 119.950 0.039 0.000 2.084 282 F HA 0.096 4.623 4.527 -0.000 0.000 0.296 282 F C 2.470 178.328 175.800 0.097 0.000 1.111 282 F CA 1.089 59.148 58.000 0.098 0.000 1.224 282 F CB -0.439 38.571 39.000 0.017 0.000 0.991 282 F HN 0.029 nan 8.300 nan 0.000 0.471 283 L N 0.234 121.362 121.223 -0.158 0.000 2.127 283 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 283 L C 2.659 179.358 176.870 -0.285 0.000 1.089 283 L CA 1.250 55.927 54.840 -0.270 0.000 0.757 283 L CB -1.526 40.441 42.059 -0.153 0.000 0.899 283 L HN 0.384 nan 8.230 nan 0.000 0.434 284 G N -1.027 107.581 108.800 -0.320 0.000 2.535 284 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 284 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 284 G C 1.175 175.943 174.900 -0.219 0.000 1.122 284 G CA 0.270 45.190 45.100 -0.300 0.000 0.769 284 G HN 0.292 nan 8.290 nan 0.000 0.549 285 F N -0.013 119.832 119.950 -0.177 0.000 2.749 285 F HA 0.314 4.841 4.527 -0.000 0.000 0.300 285 F C 1.815 177.625 175.800 0.017 0.000 1.103 285 F CA -0.204 57.682 58.000 -0.190 0.000 1.342 285 F CB 0.465 39.339 39.000 -0.211 0.000 1.098 285 F HN 0.214 nan 8.300 nan 0.000 0.586 286 I N -1.899 118.764 120.570 0.155 0.000 3.707 286 I HA 0.263 4.433 4.170 -0.000 0.000 0.330 286 I C 0.311 176.553 176.117 0.208 0.000 1.572 286 I CA -0.005 61.465 61.300 0.284 0.000 1.104 286 I CB 0.154 38.204 38.000 0.083 0.000 1.240 286 I HN -0.099 nan 8.210 nan 0.000 0.475 287 V N -3.519 116.504 119.914 0.180 0.000 3.382 287 V HA 0.198 4.318 4.120 -0.000 0.000 0.296 287 V C 1.728 177.640 176.094 -0.303 0.000 1.529 287 V CA -0.110 62.199 62.300 0.016 0.000 1.048 287 V CB -0.862 30.833 31.823 -0.214 0.000 0.878 287 V HN 0.703 nan 8.190 nan 0.000 0.442 288 W N 2.593 123.835 121.300 -0.097 0.000 2.308 288 W HA -0.133 4.527 4.660 -0.000 0.000 0.301 288 W C 1.828 178.103 176.519 -0.407 0.000 1.220 288 W CA 2.198 59.449 57.345 -0.157 0.000 1.240 288 W CB -0.978 28.559 29.460 0.128 0.000 1.142 288 W HN 0.256 nan 8.180 nan 0.000 0.521 289 A N 1.642 123.512 122.820 -1.584 0.000 2.248 289 A HA -0.167 4.153 4.320 -0.000 0.000 0.210 289 A C 1.794 178.598 177.584 -1.300 0.000 1.174 289 A CA 1.196 52.335 52.037 -1.498 0.000 0.750 289 A CB -1.851 15.876 19.000 -2.123 0.000 0.780 289 A HN 0.816 nan 8.150 nan 0.000 0.478 290 H N -3.066 115.305 119.070 -1.165 0.000 2.567 290 H HA 0.004 4.560 4.556 -0.000 0.000 0.276 290 H C 0.756 175.251 175.328 -1.389 0.000 1.016 290 H CA 0.878 55.941 56.048 -1.642 0.000 1.186 290 H CB -0.303 28.918 29.762 -0.901 0.000 1.351 290 H HN 0.659 nan 8.280 nan 0.000 0.605 291 H N 0.447 119.094 119.070 -0.705 0.000 2.551 291 H HA 0.225 4.781 4.556 -0.000 0.000 0.271 291 H C 0.506 175.489 175.328 -0.575 0.000 0.984 291 H CA 0.220 55.824 56.048 -0.740 0.000 1.164 291 H CB 0.547 29.328 29.762 -1.635 0.000 1.437 291 H HN 0.479 nan 8.280 nan 0.000 0.550 292 M N -0.338 118.936 119.600 -0.543 0.000 2.875 292 M HA 0.118 4.598 4.480 -0.000 0.000 0.403 292 M C 0.070 176.215 176.300 -0.258 0.000 1.304 292 M CA -0.198 54.894 55.300 -0.346 0.000 0.854 292 M CB 0.509 32.942 32.600 -0.278 0.000 1.415 292 M HN -0.089 nan 8.290 nan 0.000 0.505 293 F N 0.915 120.679 119.950 -0.309 0.000 2.546 293 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 293 F C 2.480 178.163 175.800 -0.194 0.000 1.120 293 F CA 1.347 59.212 58.000 -0.225 0.000 1.456 293 F CB -0.630 38.256 39.000 -0.191 0.000 1.088 293 F HN 0.283 nan 8.300 nan 0.000 0.572 294 T N -3.871 110.626 114.554 -0.095 0.000 3.044 294 T HA 0.139 4.489 4.350 -0.000 0.000 0.260 294 T C 1.566 176.255 174.700 -0.019 0.000 1.019 294 T CA 0.668 62.736 62.100 -0.053 0.000 0.921 294 T CB -0.652 68.183 68.868 -0.054 0.000 1.053 294 T HN 0.085 nan 8.240 nan 0.000 0.533 295 V N -1.205 118.691 119.914 -0.030 0.000 3.380 295 V HA 0.528 4.648 4.120 -0.000 0.000 0.268 295 V C 1.467 177.575 176.094 0.024 0.000 1.168 295 V CA 0.502 62.801 62.300 -0.003 0.000 1.156 295 V CB -1.269 30.535 31.823 -0.033 0.000 0.785 295 V HN 0.842 nan 8.190 nan 0.000 0.487 296 G N 0.220 109.039 108.800 0.033 0.000 2.392 296 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 296 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 296 G C -0.380 174.557 174.900 0.062 0.000 1.097 296 G CA 0.110 45.237 45.100 0.045 0.000 0.840 296 G HN 0.482 nan 8.290 nan 0.000 0.492 297 M N 0.335 119.979 119.600 0.074 0.000 2.444 297 M HA 0.358 4.838 4.480 -0.000 0.000 0.319 297 M C 0.205 176.559 176.300 0.090 0.000 1.183 297 M CA -0.843 54.517 55.300 0.100 0.000 1.032 297 M CB 0.552 33.228 32.600 0.127 0.000 1.569 297 M HN 0.111 nan 8.290 nan 0.000 0.468 298 D N 1.006 121.463 120.400 0.095 0.000 2.478 298 D HA -0.057 4.583 4.640 -0.000 0.000 0.234 298 D C 0.886 177.232 176.300 0.077 0.000 1.154 298 D CA 0.054 54.100 54.000 0.077 0.000 0.874 298 D CB 0.883 41.729 40.800 0.077 0.000 1.198 298 D HN 0.372 nan 8.370 nan 0.000 0.455 299 V N 1.881 121.824 119.914 0.049 0.000 2.407 299 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 299 V C 1.240 177.363 176.094 0.049 0.000 1.055 299 V CA 1.885 64.204 62.300 0.032 0.000 1.049 299 V CB -0.113 31.716 31.823 0.010 0.000 0.662 299 V HN 0.406 nan 8.190 nan 0.000 0.455 300 D N -0.460 119.976 120.400 0.059 0.000 2.144 300 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 300 D C 2.257 178.630 176.300 0.123 0.000 0.978 300 D CA 1.860 55.901 54.000 0.069 0.000 0.833 300 D CB -0.478 40.352 40.800 0.050 0.000 0.961 300 D HN 0.448 nan 8.370 nan 0.000 0.470 301 T N 0.559 115.206 114.554 0.155 0.000 2.788 301 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 301 T C 1.980 176.922 174.700 0.404 0.000 1.044 301 T CA 0.867 63.130 62.100 0.272 0.000 1.139 301 T CB 0.048 69.078 68.868 0.270 0.000 0.867 301 T HN 0.131 nan 8.240 nan 0.000 0.454 302 R N 0.636 121.295 120.500 0.264 0.000 2.115 302 R HA 0.105 4.445 4.340 -0.000 0.000 0.230 302 R C 2.747 179.110 176.300 0.106 0.000 1.111 302 R CA 1.073 57.307 56.100 0.223 0.000 0.976 302 R CB -0.311 30.000 30.300 0.018 0.000 0.870 302 R HN 0.331 nan 8.270 nan 0.000 0.445 303 A N 0.395 123.257 122.820 0.071 0.000 1.930 303 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 303 A C 1.940 179.544 177.584 0.033 0.000 1.175 303 A CA 1.076 53.124 52.037 0.018 0.000 0.627 303 A CB -0.616 18.398 19.000 0.022 0.000 0.815 303 A HN 0.460 nan 8.150 nan 0.000 0.443 304 Y N -0.557 119.738 120.300 -0.010 0.000 2.114 304 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 304 Y C 1.870 177.694 175.900 -0.127 0.000 1.143 304 Y CA 1.853 59.884 58.100 -0.115 0.000 1.135 304 Y CB -0.620 37.696 38.460 -0.240 0.000 0.980 304 Y HN 0.233 nan 8.280 nan 0.000 0.499 305 F N 0.240 120.061 119.950 -0.215 0.000 2.269 305 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 305 F C 2.474 178.236 175.800 -0.063 0.000 1.082 305 F CA 1.878 59.728 58.000 -0.249 0.000 1.360 305 F CB -0.921 38.075 39.000 -0.007 0.000 1.041 305 F HN 0.034 nan 8.300 nan 0.000 0.512 306 T N -1.132 113.525 114.554 0.171 0.000 2.737 306 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 306 T C 2.278 176.950 174.700 -0.045 0.000 1.038 306 T CA 1.745 63.894 62.100 0.081 0.000 1.144 306 T CB -0.343 68.479 68.868 -0.077 0.000 0.866 306 T HN 0.171 nan 8.240 nan 0.000 0.434 307 S N 1.467 117.086 115.700 -0.135 0.000 2.355 307 S HA -0.005 4.465 4.470 -0.000 0.000 0.222 307 S C 2.574 177.055 174.600 -0.199 0.000 1.031 307 S CA 0.969 59.080 58.200 -0.149 0.000 0.993 307 S CB -0.575 62.545 63.200 -0.134 0.000 0.859 307 S HN 0.567 nan 8.310 nan 0.000 0.453 308 A N 1.397 123.974 122.820 -0.405 0.000 1.933 308 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 308 A C 2.307 179.777 177.584 -0.190 0.000 1.175 308 A CA 2.006 53.815 52.037 -0.379 0.000 0.628 308 A CB -1.329 17.219 19.000 -0.752 0.000 0.814 308 A HN 0.475 nan 8.150 nan 0.000 0.444 309 T N 0.268 114.750 114.554 -0.121 0.000 2.746 309 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 309 T C 1.899 176.585 174.700 -0.024 0.000 1.039 309 T CA 1.737 63.832 62.100 -0.009 0.000 1.142 309 T CB -0.324 68.614 68.868 0.117 0.000 0.866 309 T HN 0.463 nan 8.240 nan 0.000 0.444 310 M N 0.307 119.887 119.600 -0.034 0.000 2.229 310 M HA 0.042 4.522 4.480 -0.000 0.000 0.264 310 M C 2.164 178.462 176.300 -0.003 0.000 1.063 310 M CA 1.316 56.605 55.300 -0.019 0.000 1.114 310 M CB -0.655 31.931 32.600 -0.023 0.000 1.387 310 M HN 0.231 nan 8.290 nan 0.000 0.420 311 I N 0.694 121.256 120.570 -0.014 0.000 2.335 311 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 311 I C 2.149 178.276 176.117 0.017 0.000 1.129 311 I CA 1.260 62.565 61.300 0.009 0.000 1.402 311 I CB -0.465 37.537 38.000 0.003 0.000 1.069 311 I HN 0.286 nan 8.210 nan 0.000 0.424 312 I N 0.961 121.531 120.570 -0.001 0.000 2.423 312 I HA -0.280 3.890 4.170 -0.000 0.000 0.254 312 I C 2.760 178.912 176.117 0.058 0.000 1.151 312 I CA 1.070 62.373 61.300 0.006 0.000 1.421 312 I CB -0.597 37.409 38.000 0.011 0.000 1.079 312 I HN 0.197 nan 8.210 nan 0.000 0.431 313 A N 1.302 124.161 122.820 0.064 0.000 1.972 313 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 313 A C 2.282 179.915 177.584 0.082 0.000 1.169 313 A CA 1.357 53.440 52.037 0.076 0.000 0.635 313 A CB -0.610 18.425 19.000 0.058 0.000 0.810 313 A HN 0.392 nan 8.150 nan 0.000 0.446 314 I N 0.368 120.993 120.570 0.091 0.000 2.090 314 I HA -0.148 4.022 4.170 -0.000 0.000 0.236 314 I C -0.262 175.950 176.117 0.158 0.000 1.064 314 I CA 1.517 62.902 61.300 0.142 0.000 1.324 314 I CB -1.253 36.850 38.000 0.172 0.000 1.044 314 I HN 0.233 nan 8.210 nan 0.000 0.399 315 P HA -0.123 nan 4.420 nan 0.000 0.218 315 P C 1.527 178.808 177.300 -0.033 0.000 1.149 315 P CA 1.661 64.744 63.100 -0.029 0.000 0.817 315 P CB -0.278 31.183 31.700 -0.397 0.000 0.785 316 T N -0.374 114.178 114.554 -0.003 0.000 2.821 316 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 316 T C 2.157 176.790 174.700 -0.113 0.000 1.046 316 T CA 1.676 63.766 62.100 -0.015 0.000 1.139 316 T CB -1.079 67.910 68.868 0.201 0.000 0.871 316 T HN 0.203 nan 8.240 nan 0.000 0.454 317 G N 1.079 109.846 108.800 -0.056 0.000 2.422 317 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 317 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 317 G C 1.671 176.472 174.900 -0.166 0.000 1.146 317 G CA 0.661 45.662 45.100 -0.166 0.000 0.769 317 G HN 0.435 nan 8.290 nan 0.000 0.547 318 V N 0.749 120.675 119.914 0.019 0.000 2.407 318 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 318 V C 2.789 178.790 176.094 -0.154 0.000 1.055 318 V CA 2.114 64.457 62.300 0.072 0.000 1.049 318 V CB -0.338 31.616 31.823 0.219 0.000 0.662 318 V HN 0.381 nan 8.190 nan 0.000 0.455 319 K N -0.328 119.835 120.400 -0.395 0.000 2.025 319 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 319 K C 2.117 178.033 176.600 -1.139 0.000 1.049 319 K CA 1.328 57.081 56.287 -0.891 0.000 0.933 319 K CB -0.454 31.339 32.500 -1.178 0.000 0.714 319 K HN 0.332 nan 8.250 nan 0.000 0.438 320 V N 1.248 120.727 119.914 -0.726 0.000 2.255 320 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 320 V C 2.067 178.043 176.094 -0.195 0.000 1.051 320 V CA 1.864 63.961 62.300 -0.337 0.000 1.018 320 V CB -0.590 31.016 31.823 -0.362 0.000 0.641 320 V HN 0.218 nan 8.190 nan 0.000 0.445 321 F N 0.105 120.022 119.950 -0.055 0.000 2.293 321 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 321 F C 2.603 178.334 175.800 -0.114 0.000 1.086 321 F CA 1.132 59.100 58.000 -0.053 0.000 1.375 321 F CB -0.335 38.631 39.000 -0.055 0.000 1.045 321 F HN 0.073 nan 8.300 nan 0.000 0.516 322 S N -0.965 114.731 115.700 -0.008 0.000 2.406 322 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 322 S C 1.664 176.319 174.600 0.092 0.000 1.020 322 S CA 0.621 58.837 58.200 0.026 0.000 0.965 322 S CB -0.284 62.940 63.200 0.040 0.000 0.798 322 S HN 0.395 nan 8.310 nan 0.000 0.488 323 W N 1.912 123.261 121.300 0.081 0.000 2.381 323 W HA 0.127 4.787 4.660 -0.000 0.000 0.301 323 W C 1.877 178.436 176.519 0.066 0.000 1.205 323 W CA 0.204 57.596 57.345 0.077 0.000 1.285 323 W CB -1.187 28.317 29.460 0.074 0.000 1.133 323 W HN 0.301 nan 8.180 nan 0.000 0.521 324 L N 0.056 121.452 121.223 0.289 0.000 2.056 324 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 324 L C 2.568 179.485 176.870 0.078 0.000 1.078 324 L CA 1.409 56.360 54.840 0.186 0.000 0.749 324 L CB -1.304 40.875 42.059 0.200 0.000 0.901 324 L HN -0.155 nan 8.230 nan 0.000 0.433 325 A N -0.646 122.139 122.820 -0.057 0.000 2.067 325 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 325 A C 2.284 179.857 177.584 -0.018 0.000 1.158 325 A CA 1.869 53.735 52.037 -0.285 0.000 0.661 325 A CB -0.622 17.715 19.000 -1.105 0.000 0.801 325 A HN 0.377 nan 8.150 nan 0.000 0.452 326 T N 0.079 114.714 114.554 0.135 0.000 2.942 326 T HA 0.053 4.403 4.350 -0.000 0.000 0.265 326 T C 1.721 176.503 174.700 0.136 0.000 1.062 326 T CA 0.988 63.212 62.100 0.206 0.000 1.139 326 T CB -0.235 68.789 68.868 0.260 0.000 0.883 326 T HN 0.376 nan 8.240 nan 0.000 0.468 327 L N 0.195 121.490 121.223 0.120 0.000 2.093 327 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 327 L C 1.287 178.202 176.870 0.076 0.000 1.085 327 L CA 0.491 55.370 54.840 0.066 0.000 0.755 327 L CB -0.620 41.474 42.059 0.058 0.000 0.904 327 L HN 0.312 nan 8.230 nan 0.000 0.435 328 H N 0.664 119.735 119.070 0.003 0.000 3.187 328 H HA 0.173 4.729 4.556 -0.000 0.000 0.286 328 H C 1.119 176.452 175.328 0.009 0.000 0.944 328 H CA 0.387 56.433 56.048 -0.005 0.000 1.429 328 H CB 0.179 29.921 29.762 -0.034 0.000 1.483 328 H HN 0.303 nan 8.280 nan 0.000 0.555 329 G N 3.011 111.576 108.800 -0.391 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 0.676 175.492 174.900 -0.139 0.000 0.976 329 G CA 0.315 45.219 45.100 -0.326 0.000 0.655 329 G HN 1.029 nan 8.290 nan 0.000 0.533 330 G N -0.512 108.235 108.800 -0.088 0.000 2.507 330 G HA2 0.438 4.398 3.960 -0.000 0.000 0.271 330 G HA3 0.438 4.398 3.960 -0.000 0.000 0.271 330 G C 0.045 174.907 174.900 -0.064 0.000 1.189 330 G CA 0.106 45.166 45.100 -0.066 0.000 0.859 330 G HN 0.510 nan 8.290 nan 0.000 0.542 331 N N 1.192 119.853 118.700 -0.064 0.000 2.719 331 N HA 0.059 4.799 4.740 -0.000 0.000 0.243 331 N C 0.318 175.791 175.510 -0.061 0.000 1.104 331 N CA -0.666 52.356 53.050 -0.048 0.000 0.981 331 N CB -0.060 38.397 38.487 -0.050 0.000 1.290 331 N HN 0.153 nan 8.380 nan 0.000 0.513 332 I N 1.615 122.139 120.570 -0.077 0.000 2.662 332 I HA -0.017 4.153 4.170 -0.000 0.000 0.285 332 I C 0.827 176.861 176.117 -0.138 0.000 1.161 332 I CA 0.008 61.196 61.300 -0.187 0.000 1.415 332 I CB -0.298 37.474 38.000 -0.380 0.000 1.385 332 I HN 0.368 nan 8.210 nan 0.000 0.552 333 K N 7.187 127.527 120.400 -0.100 0.000 2.281 333 K HA 0.192 4.512 4.320 -0.000 0.000 0.272 333 K C -0.807 175.752 176.600 -0.067 0.000 1.048 333 K CA -0.277 56.033 56.287 0.038 0.000 0.898 333 K CB 0.168 32.785 32.500 0.196 0.000 1.128 333 K HN 0.354 nan 8.250 nan 0.000 0.460 334 W N 4.599 125.866 121.300 -0.055 0.000 1.435 334 W HA 0.098 4.758 4.660 -0.000 0.000 0.471 334 W C 0.361 176.765 176.519 -0.191 0.000 0.590 334 W CA -0.422 56.846 57.345 -0.129 0.000 2.419 334 W CB -0.613 28.783 29.460 -0.107 0.000 1.251 334 W HN 0.536 nan 8.180 nan 0.000 0.338 335 S N -0.362 115.244 115.700 -0.156 0.000 2.624 335 S HA 0.264 4.734 4.470 -0.000 0.000 0.263 335 S C -1.443 172.976 174.600 -0.301 0.000 1.287 335 S CA -1.059 56.986 58.200 -0.259 0.000 0.990 335 S CB 1.413 64.269 63.200 -0.573 0.000 0.950 335 S HN -0.032 nan 8.310 nan 0.000 0.561 336 P HA -0.000 nan 4.420 nan 0.000 0.217 336 P C 1.549 178.753 177.300 -0.160 0.000 1.150 336 P CA 1.782 64.783 63.100 -0.165 0.000 0.832 336 P CB -0.253 31.471 31.700 0.040 0.000 0.787 337 A N -0.822 121.890 122.820 -0.179 0.000 1.933 337 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 337 A C 2.211 179.648 177.584 -0.244 0.000 1.175 337 A CA 2.018 53.992 52.037 -0.106 0.000 0.628 337 A CB -1.416 17.490 19.000 -0.156 0.000 0.814 337 A HN 0.120 nan 8.150 nan 0.000 0.444 338 M N -0.527 118.745 119.600 -0.548 0.000 2.175 338 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 338 M C 2.001 178.111 176.300 -0.317 0.000 1.063 338 M CA 1.696 56.760 55.300 -0.393 0.000 1.119 338 M CB -0.604 31.716 32.600 -0.467 0.000 1.377 338 M HN 0.420 nan 8.290 nan 0.000 0.415 339 M N -1.883 117.438 119.600 -0.465 0.000 2.117 339 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 339 M C 1.921 177.757 176.300 -0.774 0.000 1.065 339 M CA 1.908 56.739 55.300 -0.782 0.000 1.114 339 M CB -0.683 31.118 32.600 -1.331 0.000 1.361 339 M HN 0.382 nan 8.290 nan 0.000 0.408 340 W N 0.206 121.211 121.300 -0.492 0.000 2.363 340 W HA -0.130 4.530 4.660 -0.000 0.000 0.296 340 W C 2.703 179.338 176.519 0.192 0.000 1.212 340 W CA 1.058 58.362 57.345 -0.069 0.000 1.260 340 W CB -0.393 29.049 29.460 -0.030 0.000 1.131 340 W HN 0.224 nan 8.180 nan 0.000 0.530 341 A N -0.051 122.911 122.820 0.237 0.000 1.929 341 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 341 A C 1.909 179.625 177.584 0.219 0.000 1.176 341 A CA 1.201 53.327 52.037 0.148 0.000 0.628 341 A CB -0.900 18.067 19.000 -0.055 0.000 0.816 341 A HN 0.282 nan 8.150 nan 0.000 0.444 342 L N -0.755 120.560 121.223 0.152 0.000 2.093 342 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 342 L C 2.807 179.921 176.870 0.407 0.000 1.085 342 L CA 1.010 55.969 54.840 0.198 0.000 0.755 342 L CB -0.743 41.359 42.059 0.072 0.000 0.904 342 L HN 0.475 nan 8.230 nan 0.000 0.435 343 G N -0.328 108.813 108.800 0.569 0.000 2.422 343 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 343 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 343 G C 1.482 176.813 174.900 0.719 0.000 1.146 343 G CA 0.492 46.123 45.100 0.886 0.000 0.769 343 G HN 0.280 nan 8.290 nan 0.000 0.547 344 F N 1.592 121.890 119.950 0.579 0.000 2.069 344 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 344 F C 2.521 178.496 175.800 0.292 0.000 1.113 344 F CA 1.427 59.634 58.000 0.345 0.000 1.214 344 F CB -0.288 38.864 39.000 0.253 0.000 0.978 344 F HN 0.104 nan 8.300 nan 0.000 0.474 345 I N -0.647 120.271 120.570 0.579 0.000 2.151 345 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 345 I C 2.387 178.751 176.117 0.411 0.000 1.080 345 I CA 1.881 63.484 61.300 0.505 0.000 1.339 345 I CB -0.739 37.522 38.000 0.436 0.000 1.039 345 I HN 0.251 nan 8.210 nan 0.000 0.409 346 F N 1.552 121.656 119.950 0.257 0.000 2.098 346 F HA -0.116 4.411 4.527 -0.000 0.000 0.294 346 F C 2.208 178.096 175.800 0.147 0.000 1.107 346 F CA 1.543 59.667 58.000 0.207 0.000 1.234 346 F CB -0.434 38.707 39.000 0.236 0.000 1.002 346 F HN -0.147 nan 8.300 nan 0.000 0.472 347 L N -1.015 120.158 121.223 -0.083 0.000 2.093 347 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 347 L C 2.440 179.174 176.870 -0.226 0.000 1.085 347 L CA 1.369 56.063 54.840 -0.242 0.000 0.755 347 L CB -0.932 40.968 42.059 -0.265 0.000 0.904 347 L HN 0.232 nan 8.230 nan 0.000 0.435 348 F N 0.758 120.476 119.950 -0.386 0.000 2.186 348 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 348 F C 2.425 178.124 175.800 -0.168 0.000 1.090 348 F CA 1.747 59.515 58.000 -0.386 0.000 1.307 348 F CB -0.314 38.252 39.000 -0.724 0.000 1.019 348 F HN -0.104 nan 8.300 nan 0.000 0.489 349 T N 0.246 114.730 114.554 -0.116 0.000 2.720 349 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 349 T C 2.151 176.683 174.700 -0.281 0.000 1.037 349 T CA 1.672 63.690 62.100 -0.135 0.000 1.144 349 T CB -0.595 68.286 68.868 0.023 0.000 0.864 349 T HN 0.134 nan 8.240 nan 0.000 0.444 350 V N 1.285 120.974 119.914 -0.375 0.000 2.295 350 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 350 V C 2.865 178.739 176.094 -0.367 0.000 1.049 350 V CA 2.071 64.128 62.300 -0.405 0.000 1.024 350 V CB -1.321 30.176 31.823 -0.543 0.000 0.648 350 V HN 0.596 nan 8.190 nan 0.000 0.447 351 G N -0.240 108.355 108.800 -0.341 0.000 2.422 351 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 351 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 351 G C 1.598 176.373 174.900 -0.208 0.000 1.146 351 G CA 0.934 45.876 45.100 -0.264 0.000 0.769 351 G HN 0.596 nan 8.290 nan 0.000 0.547 352 G N 0.778 109.309 108.800 -0.449 0.000 2.408 352 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.217 352 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.217 352 G C 1.789 176.606 174.900 -0.138 0.000 1.150 352 G CA 0.599 45.504 45.100 -0.326 0.000 0.776 352 G HN 0.421 nan 8.290 nan 0.000 0.542 353 L N 1.199 122.331 121.223 -0.153 0.000 2.093 353 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 353 L C 3.302 180.125 176.870 -0.079 0.000 1.085 353 L CA 1.694 56.476 54.840 -0.097 0.000 0.755 353 L CB -0.739 41.262 42.059 -0.096 0.000 0.904 353 L HN 0.406 nan 8.230 nan 0.000 0.435 354 T N -3.590 110.912 114.554 -0.087 0.000 2.962 354 T HA -0.059 4.290 4.350 -0.000 0.000 0.270 354 T C 1.889 176.526 174.700 -0.105 0.000 1.088 354 T CA 0.833 62.915 62.100 -0.029 0.000 1.127 354 T CB -0.600 68.195 68.868 -0.121 0.000 0.883 354 T HN 0.383 nan 8.240 nan 0.000 0.493 355 G N 1.679 110.343 108.800 -0.226 0.000 2.408 355 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.217 355 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.217 355 G C 1.465 176.201 174.900 -0.273 0.000 1.150 355 G CA 0.450 45.217 45.100 -0.555 0.000 0.776 355 G HN 0.460 nan 8.290 nan 0.000 0.542 356 I N 0.960 121.448 120.570 -0.136 0.000 2.394 356 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 356 I C 2.846 178.916 176.117 -0.080 0.000 1.136 356 I CA 0.630 61.878 61.300 -0.087 0.000 1.425 356 I CB -0.688 37.285 38.000 -0.046 0.000 1.079 356 I HN 0.027 nan 8.210 nan 0.000 0.425 357 V N 1.077 120.953 119.914 -0.062 0.000 2.295 357 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 357 V C 2.517 178.558 176.094 -0.089 0.000 1.049 357 V CA 1.444 63.712 62.300 -0.054 0.000 1.024 357 V CB -0.500 31.330 31.823 0.010 0.000 0.648 357 V HN 0.317 nan 8.190 nan 0.000 0.447 358 L N 0.193 121.358 121.223 -0.097 0.000 2.275 358 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 358 L C 2.607 179.436 176.870 -0.070 0.000 1.119 358 L CA 1.138 55.913 54.840 -0.109 0.000 0.790 358 L CB -0.719 41.234 42.059 -0.175 0.000 0.919 358 L HN 0.352 nan 8.230 nan 0.000 0.443 359 A N -0.419 122.344 122.820 -0.094 0.000 2.019 359 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 359 A C 1.002 178.619 177.584 0.055 0.000 1.164 359 A CA 0.862 52.900 52.037 0.002 0.000 0.644 359 A CB -0.537 18.434 19.000 -0.049 0.000 0.805 359 A HN 0.419 nan 8.150 nan 0.000 0.449 360 N N 1.356 120.019 118.700 -0.062 0.000 2.402 360 N HA 0.075 4.815 4.740 -0.000 0.000 0.259 360 N C 1.199 176.537 175.510 -0.287 0.000 1.167 360 N CA 0.713 53.670 53.050 -0.156 0.000 0.949 360 N CB 1.031 39.442 38.487 -0.127 0.000 1.212 360 N HN 0.535 nan 8.380 nan 0.000 0.493 361 S N 1.262 116.579 115.700 -0.639 0.000 2.402 361 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 361 S C 1.861 176.190 174.600 -0.451 0.000 1.030 361 S CA 1.065 58.651 58.200 -1.023 0.000 1.003 361 S CB -0.074 62.207 63.200 -1.532 0.000 0.813 361 S HN 0.413 nan 8.310 nan 0.000 0.477 362 S N 2.073 117.591 115.700 -0.303 0.000 2.343 362 S HA 0.079 4.549 4.470 -0.000 0.000 0.219 362 S C 1.824 176.339 174.600 -0.142 0.000 1.033 362 S CA 1.398 59.489 58.200 -0.183 0.000 1.014 362 S CB -0.628 62.488 63.200 -0.141 0.000 0.915 362 S HN 0.438 nan 8.310 nan 0.000 0.435 363 L N 1.065 122.203 121.223 -0.142 0.000 2.093 363 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 363 L C 2.219 179.022 176.870 -0.112 0.000 1.085 363 L CA 1.359 56.122 54.840 -0.128 0.000 0.755 363 L CB -0.499 41.471 42.059 -0.147 0.000 0.904 363 L HN 0.315 nan 8.230 nan 0.000 0.435 364 D N -0.099 120.243 120.400 -0.095 0.000 2.263 364 D HA -0.199 4.441 4.640 -0.000 0.000 0.208 364 D C 2.089 178.412 176.300 0.038 0.000 0.971 364 D CA 0.661 54.660 54.000 -0.003 0.000 0.867 364 D CB 0.222 41.096 40.800 0.124 0.000 0.929 364 D HN 0.101 nan 8.370 nan 0.000 0.492 365 I N 0.196 120.757 120.570 -0.015 0.000 2.163 365 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 365 I C 2.243 178.384 176.117 0.040 0.000 1.085 365 I CA 0.872 62.181 61.300 0.015 0.000 1.347 365 I CB -1.084 36.904 38.000 -0.019 0.000 1.044 365 I HN 0.068 nan 8.210 nan 0.000 0.408 366 V N 0.315 120.229 119.914 -0.001 0.000 2.788 366 V HA -0.092 4.028 4.120 -0.000 0.000 0.251 366 V C 2.323 178.410 176.094 -0.011 0.000 1.068 366 V CA 0.871 63.168 62.300 -0.005 0.000 1.090 366 V CB -0.311 31.493 31.823 -0.032 0.000 0.710 366 V HN 0.299 nan 8.190 nan 0.000 0.467 367 L N -1.108 120.095 121.223 -0.033 0.000 2.375 367 L HA 0.158 4.498 4.340 -0.000 0.000 0.215 367 L C 1.322 178.214 176.870 0.037 0.000 1.108 367 L CA 0.078 54.889 54.840 -0.048 0.000 0.830 367 L CB -0.431 41.521 42.059 -0.179 0.000 0.959 367 L HN 0.372 nan 8.230 nan 0.000 0.457 368 H N 1.135 120.205 119.070 0.001 0.000 2.972 368 H HA -0.104 4.452 4.556 -0.000 0.000 0.343 368 H C 0.465 175.811 175.328 0.030 0.000 1.054 368 H CA 0.583 56.647 56.048 0.027 0.000 1.412 368 H CB 0.197 29.984 29.762 0.041 0.000 1.385 368 H HN 0.109 nan 8.280 nan 0.000 0.600 369 D N 1.980 121.928 120.400 -0.753 0.000 2.911 369 D HA -0.208 4.432 4.640 -0.000 0.000 0.227 369 D C -0.347 175.822 176.300 -0.218 0.000 1.164 369 D CA 1.459 55.166 54.000 -0.487 0.000 0.782 369 D CB -0.852 39.692 40.800 -0.426 0.000 1.094 369 D HN 0.754 nan 8.370 nan 0.000 0.425 370 T N -4.215 110.254 114.554 -0.141 0.000 2.910 370 T HA 0.437 4.787 4.350 -0.000 0.000 0.287 370 T C 1.011 175.678 174.700 -0.055 0.000 1.050 370 T CA -0.729 61.333 62.100 -0.063 0.000 1.011 370 T CB 0.894 69.763 68.868 0.002 0.000 1.195 370 T HN -0.041 nan 8.240 nan 0.000 0.540 371 Y N -0.507 119.733 120.300 -0.100 0.000 2.680 371 Y HA 0.049 4.599 4.550 -0.000 0.000 0.303 371 Y C 1.874 177.705 175.900 -0.116 0.000 1.166 371 Y CA 0.587 58.617 58.100 -0.116 0.000 1.344 371 Y CB -0.394 37.975 38.460 -0.153 0.000 1.002 371 Y HN 0.809 nan 8.280 nan 0.000 0.537 372 Y N -1.032 119.229 120.300 -0.065 0.000 2.314 372 Y HA -0.203 4.347 4.550 -0.000 0.000 0.293 372 Y C 2.086 177.918 175.900 -0.112 0.000 1.129 372 Y CA 1.209 59.253 58.100 -0.094 0.000 1.201 372 Y CB -0.182 38.251 38.460 -0.046 0.000 0.999 372 Y HN -0.091 nan 8.280 nan 0.000 0.541 373 V N -1.265 118.694 119.914 0.075 0.000 2.379 373 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 373 V C 2.228 178.204 176.094 -0.196 0.000 1.044 373 V CA 1.616 63.967 62.300 0.084 0.000 1.036 373 V CB -0.749 31.161 31.823 0.146 0.000 0.664 373 V HN 0.277 nan 8.190 nan 0.000 0.453 374 V N 0.576 120.207 119.914 -0.472 0.000 2.407 374 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 374 V C 2.697 178.341 176.094 -0.749 0.000 1.055 374 V CA 2.014 63.726 62.300 -0.979 0.000 1.049 374 V CB -1.197 30.197 31.823 -0.714 0.000 0.662 374 V HN 0.551 nan 8.190 nan 0.000 0.455 375 A N -0.025 122.499 122.820 -0.493 0.000 1.873 375 A HA -0.262 4.058 4.320 -0.000 0.000 0.215 375 A C 2.134 179.472 177.584 -0.409 0.000 1.186 375 A CA 2.126 53.855 52.037 -0.514 0.000 0.616 375 A CB -0.832 17.526 19.000 -1.069 0.000 0.823 375 A HN 0.769 nan 8.150 nan 0.000 0.442 376 H N 0.255 119.044 119.070 -0.468 0.000 2.267 376 H HA -0.228 4.328 4.556 -0.000 0.000 0.297 376 H C 1.712 176.940 175.328 -0.166 0.000 1.080 376 H CA 2.500 58.380 56.048 -0.278 0.000 1.278 376 H CB -0.840 28.819 29.762 -0.172 0.000 1.365 376 H HN 0.591 nan 8.280 nan 0.000 0.489 377 F N -1.262 118.338 119.950 -0.583 0.000 2.365 377 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 377 F C 1.798 177.203 175.800 -0.657 0.000 1.090 377 F CA 1.011 58.584 58.000 -0.711 0.000 1.408 377 F CB -0.668 38.052 39.000 -0.467 0.000 1.060 377 F HN 0.197 nan 8.300 nan 0.000 0.534 378 H N -1.776 116.921 119.070 -0.622 0.000 2.512 378 H HA 0.019 4.575 4.556 -0.000 0.000 0.279 378 H C 1.383 176.271 175.328 -0.734 0.000 0.999 378 H CA 1.501 57.033 56.048 -0.860 0.000 1.283 378 H CB -0.208 28.447 29.762 -1.845 0.000 1.421 378 H HN 0.267 nan 8.280 nan 0.000 0.554 379 Y N -0.022 119.975 120.300 -0.505 0.000 2.220 379 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 379 Y C 2.471 178.139 175.900 -0.387 0.000 1.129 379 Y CA 1.331 59.191 58.100 -0.399 0.000 1.161 379 Y CB -0.124 38.133 38.460 -0.338 0.000 0.997 379 Y HN 0.143 nan 8.280 nan 0.000 0.522 380 V N -2.842 116.907 119.914 -0.274 0.000 2.788 380 V HA -0.093 4.027 4.120 -0.000 0.000 0.251 380 V C 1.669 177.681 176.094 -0.137 0.000 1.068 380 V CA 1.257 63.433 62.300 -0.207 0.000 1.090 380 V CB -0.597 31.063 31.823 -0.271 0.000 0.710 380 V HN 0.329 nan 8.190 nan 0.000 0.467 381 L N -0.160 120.929 121.223 -0.223 0.000 2.347 381 L HA 0.171 4.511 4.340 -0.000 0.000 0.196 381 L C 2.663 179.456 176.870 -0.128 0.000 1.072 381 L CA 1.291 56.018 54.840 -0.188 0.000 0.817 381 L CB -0.396 41.498 42.059 -0.275 0.000 1.029 381 L HN 0.275 nan 8.230 nan 0.000 0.478 382 S N -0.924 114.668 115.700 -0.179 0.000 2.522 382 S HA 0.072 4.542 4.470 -0.000 0.000 0.227 382 S C 1.687 176.264 174.600 -0.037 0.000 0.986 382 S CA 0.793 58.963 58.200 -0.050 0.000 0.929 382 S CB 0.124 63.313 63.200 -0.019 0.000 0.769 382 S HN 0.224 nan 8.310 nan 0.000 0.529 383 M N -0.917 118.533 119.600 -0.251 0.000 2.925 383 M HA 0.275 4.755 4.480 -0.000 0.000 0.249 383 M C 2.284 178.341 176.300 -0.405 0.000 1.439 383 M CA 0.715 55.667 55.300 -0.580 0.000 1.217 383 M CB -0.589 31.523 32.600 -0.815 0.000 1.245 383 M HN 0.309 nan 8.290 nan 0.000 0.552 384 G N 0.640 109.301 108.800 -0.233 0.000 2.575 384 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.215 384 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.215 384 G C 1.567 176.680 174.900 0.355 0.000 1.262 384 G CA 1.120 46.158 45.100 -0.104 0.000 0.807 384 G HN 0.459 nan 8.290 nan 0.000 0.567 385 A N -0.300 122.649 122.820 0.214 0.000 1.908 385 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 385 A C 2.621 180.333 177.584 0.214 0.000 1.181 385 A CA 2.153 54.304 52.037 0.190 0.000 0.627 385 A CB -0.791 18.229 19.000 0.034 0.000 0.818 385 A HN 0.313 nan 8.150 nan 0.000 0.445 386 V N -1.308 118.735 119.914 0.215 0.000 2.358 386 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 386 V C 2.302 178.584 176.094 0.314 0.000 1.047 386 V CA 1.910 64.350 62.300 0.233 0.000 1.035 386 V CB -0.896 31.072 31.823 0.241 0.000 0.658 386 V HN 0.631 nan 8.190 nan 0.000 0.452 387 F N 0.316 120.390 119.950 0.208 0.000 2.134 387 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 387 F C 2.491 178.400 175.800 0.182 0.000 1.097 387 F CA 0.917 59.110 58.000 0.321 0.000 1.264 387 F CB -0.363 39.026 39.000 0.647 0.000 1.001 387 F HN 0.149 nan 8.300 nan 0.000 0.479 388 A N 0.474 123.535 122.820 0.402 0.000 1.902 388 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 388 A C 2.108 179.690 177.584 -0.004 0.000 1.181 388 A CA 1.410 53.488 52.037 0.070 0.000 0.623 388 A CB -0.963 18.000 19.000 -0.062 0.000 0.818 388 A HN 0.404 nan 8.150 nan 0.000 0.443 389 I N -0.849 119.760 120.570 0.065 0.000 2.252 389 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 389 I C 2.568 178.727 176.117 0.071 0.000 1.102 389 I CA 1.095 62.471 61.300 0.128 0.000 1.385 389 I CB -0.259 37.852 38.000 0.185 0.000 1.064 389 I HN 0.257 nan 8.210 nan 0.000 0.414 390 M N 0.282 119.749 119.600 -0.222 0.000 2.117 390 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 390 M C 2.414 178.438 176.300 -0.460 0.000 1.065 390 M CA 1.809 56.765 55.300 -0.574 0.000 1.114 390 M CB -2.002 29.559 32.600 -1.731 0.000 1.361 390 M HN 0.290 nan 8.290 nan 0.000 0.408 391 G N -0.259 108.324 108.800 -0.362 0.000 2.421 391 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 391 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 391 G C 1.599 176.497 174.900 -0.004 0.000 1.171 391 G CA 1.085 46.161 45.100 -0.040 0.000 0.775 391 G HN 0.551 nan 8.290 nan 0.000 0.543 392 G N 0.169 108.944 108.800 -0.042 0.000 2.422 392 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 392 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 392 G C 1.618 176.715 174.900 0.329 0.000 1.146 392 G CA 0.876 45.964 45.100 -0.019 0.000 0.769 392 G HN 0.347 nan 8.290 nan 0.000 0.547 393 F N 1.977 122.137 119.950 0.351 0.000 2.102 393 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 393 F C 2.778 178.725 175.800 0.245 0.000 1.105 393 F CA 1.979 60.261 58.000 0.469 0.000 1.239 393 F CB -0.396 38.794 39.000 0.317 0.000 0.991 393 F HN 0.069 nan 8.300 nan 0.000 0.474 394 V N -1.574 118.437 119.914 0.160 0.000 2.427 394 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 394 V C 2.414 178.514 176.094 0.010 0.000 1.051 394 V CA 2.336 64.662 62.300 0.044 0.000 1.048 394 V CB -1.494 30.443 31.823 0.189 0.000 0.666 394 V HN 0.504 nan 8.190 nan 0.000 0.456 395 H N -0.702 118.305 119.070 -0.105 0.000 2.326 395 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 395 H C 1.825 176.991 175.328 -0.270 0.000 1.081 395 H CA 2.390 58.293 56.048 -0.242 0.000 1.334 395 H CB -0.199 29.245 29.762 -0.530 0.000 1.385 395 H HN 0.563 nan 8.280 nan 0.000 0.504 396 W N -0.563 120.508 121.300 -0.381 0.000 3.211 396 W HA 0.050 4.710 4.660 -0.000 0.000 0.292 396 W C 1.563 177.349 176.519 -1.222 0.000 1.268 396 W CA -0.303 56.481 57.345 -0.935 0.000 1.702 396 W CB -0.798 27.968 29.460 -1.157 0.000 1.092 396 W HN 0.202 nan 8.180 nan 0.000 0.643 397 F N 2.815 122.316 119.950 -0.749 0.000 2.091 397 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 397 F C -0.722 174.795 175.800 -0.471 0.000 1.103 397 F CA 1.988 59.552 58.000 -0.726 0.000 1.228 397 F CB -1.405 37.139 39.000 -0.759 0.000 0.984 397 F HN -0.249 nan 8.300 nan 0.000 0.477 398 P HA -0.180 nan 4.420 nan 0.000 0.218 398 P C 1.777 178.926 177.300 -0.251 0.000 1.148 398 P CA 1.266 64.259 63.100 -0.178 0.000 0.822 398 P CB -0.110 31.636 31.700 0.077 0.000 0.784 399 L N -1.532 119.442 121.223 -0.416 0.000 2.027 399 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 399 L C 2.003 178.608 176.870 -0.442 0.000 1.074 399 L CA 2.027 56.538 54.840 -0.550 0.000 0.745 399 L CB -1.356 40.005 42.059 -1.164 0.000 0.898 399 L HN -0.164 nan 8.230 nan 0.000 0.433 400 F N -0.246 119.222 119.950 -0.803 0.000 2.186 400 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 400 F C 2.827 178.331 175.800 -0.494 0.000 1.090 400 F CA 1.064 58.460 58.000 -1.007 0.000 1.307 400 F CB -1.725 36.608 39.000 -1.111 0.000 1.019 400 F HN 0.396 nan 8.300 nan 0.000 0.489 401 S N -1.445 113.986 115.700 -0.449 0.000 2.475 401 S HA 0.400 4.870 4.470 -0.000 0.000 0.224 401 S C 1.872 176.176 174.600 -0.494 0.000 1.042 401 S CA 0.566 58.512 58.200 -0.424 0.000 0.935 401 S CB 0.232 62.919 63.200 -0.856 0.000 0.801 401 S HN 0.536 nan 8.310 nan 0.000 0.509 402 G N -0.058 108.469 108.800 -0.456 0.000 2.175 402 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 402 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 402 G C -0.249 174.402 174.900 -0.415 0.000 0.982 402 G CA 0.321 45.177 45.100 -0.406 0.000 0.641 402 G HN 0.526 nan 8.290 nan 0.000 0.527 403 Y N 0.806 120.994 120.300 -0.187 0.000 2.549 403 Y HA 0.707 5.257 4.550 -0.000 0.000 0.339 403 Y C 0.861 176.748 175.900 -0.023 0.000 1.053 403 Y CA -0.669 57.368 58.100 -0.105 0.000 1.105 403 Y CB 1.667 40.048 38.460 -0.132 0.000 1.258 403 Y HN 0.314 nan 8.280 nan 0.000 0.478 404 T N -0.131 114.548 114.554 0.209 0.000 2.929 404 T HA 0.770 5.120 4.350 -0.000 0.000 0.284 404 T C -0.370 174.400 174.700 0.116 0.000 1.014 404 T CA -0.842 61.353 62.100 0.158 0.000 1.051 404 T CB 0.812 69.733 68.868 0.089 0.000 1.028 404 T HN 0.482 nan 8.240 nan 0.000 0.485 405 L N 1.856 123.117 121.223 0.064 0.000 2.454 405 L HA 0.439 4.779 4.340 -0.000 0.000 0.256 405 L C 1.027 177.908 176.870 0.017 0.000 1.136 405 L CA -1.178 53.629 54.840 -0.055 0.000 0.804 405 L CB 0.482 42.465 42.059 -0.128 0.000 1.181 405 L HN 0.708 nan 8.230 nan 0.000 0.469 406 N N 0.591 119.322 118.700 0.051 0.000 2.406 406 N HA -0.002 4.738 4.740 -0.000 0.000 0.251 406 N C 0.035 175.637 175.510 0.154 0.000 1.069 406 N CA -0.093 53.039 53.050 0.138 0.000 0.947 406 N CB 1.247 39.915 38.487 0.302 0.000 1.111 406 N HN 0.527 nan 8.380 nan 0.000 0.497 407 D N 2.250 122.709 120.400 0.098 0.000 2.149 407 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 407 D C 1.212 177.567 176.300 0.092 0.000 0.990 407 D CA 1.587 55.637 54.000 0.083 0.000 0.839 407 D CB 0.221 41.048 40.800 0.045 0.000 0.948 407 D HN 0.572 nan 8.370 nan 0.000 0.460 408 T N -0.917 113.674 114.554 0.061 0.000 2.737 408 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 408 T C 1.735 176.487 174.700 0.086 0.000 1.038 408 T CA 0.959 63.061 62.100 0.002 0.000 1.144 408 T CB -0.550 68.248 68.868 -0.116 0.000 0.866 408 T HN 0.340 nan 8.240 nan 0.000 0.434 409 W N 1.318 122.678 121.300 0.099 0.000 2.363 409 W HA -0.022 4.638 4.660 -0.000 0.000 0.296 409 W C 2.835 179.460 176.519 0.177 0.000 1.212 409 W CA 0.513 57.950 57.345 0.153 0.000 1.260 409 W CB -0.268 29.298 29.460 0.176 0.000 1.131 409 W HN 0.220 nan 8.180 nan 0.000 0.530 410 A N 0.322 123.375 122.820 0.388 0.000 1.969 410 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 410 A C 1.822 179.599 177.584 0.323 0.000 1.169 410 A CA 1.614 53.863 52.037 0.354 0.000 0.635 410 A CB -0.522 18.633 19.000 0.257 0.000 0.810 410 A HN 0.299 nan 8.150 nan 0.000 0.445 411 K N -0.567 119.953 120.400 0.199 0.000 2.155 411 K HA 0.072 4.392 4.320 -0.000 0.000 0.203 411 K C 1.663 178.360 176.600 0.163 0.000 1.052 411 K CA 1.122 57.478 56.287 0.116 0.000 0.948 411 K CB -0.243 32.279 32.500 0.037 0.000 0.728 411 K HN 0.504 nan 8.250 nan 0.000 0.448 412 I N 0.655 121.351 120.570 0.210 0.000 2.252 412 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 412 I C 2.686 178.955 176.117 0.253 0.000 1.102 412 I CA 1.157 62.583 61.300 0.210 0.000 1.385 412 I CB -0.353 37.811 38.000 0.274 0.000 1.064 412 I HN 0.325 nan 8.210 nan 0.000 0.414 413 H N 0.769 120.000 119.070 0.269 0.000 2.319 413 H HA -0.278 4.278 4.556 -0.000 0.000 0.299 413 H C 2.279 177.724 175.328 0.195 0.000 1.092 413 H CA 2.219 58.433 56.048 0.276 0.000 1.302 413 H CB -0.201 29.776 29.762 0.357 0.000 1.373 413 H HN 0.326 nan 8.280 nan 0.000 0.497 414 F N 1.564 121.380 119.950 -0.223 0.000 2.095 414 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 414 F C 2.671 178.214 175.800 -0.428 0.000 1.104 414 F CA 1.820 59.359 58.000 -0.767 0.000 1.232 414 F CB -0.853 37.543 39.000 -1.008 0.000 0.987 414 F HN 0.231 nan 8.300 nan 0.000 0.475 415 A N 0.907 123.538 122.820 -0.315 0.000 1.883 415 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 415 A C 2.329 179.801 177.584 -0.187 0.000 1.186 415 A CA 2.180 54.047 52.037 -0.284 0.000 0.624 415 A CB -1.314 17.644 19.000 -0.070 0.000 0.822 415 A HN 0.529 nan 8.150 nan 0.000 0.444 416 I N -1.607 118.903 120.570 -0.099 0.000 2.179 416 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 416 I C 2.657 178.742 176.117 -0.053 0.000 1.088 416 I CA 1.951 63.234 61.300 -0.028 0.000 1.357 416 I CB -0.265 37.763 38.000 0.046 0.000 1.051 416 I HN 0.397 nan 8.210 nan 0.000 0.409 417 M N 0.381 119.900 119.600 -0.134 0.000 2.159 417 M HA -0.237 4.243 4.480 -0.000 0.000 0.263 417 M C 2.058 178.353 176.300 -0.007 0.000 1.063 417 M CA 1.838 57.106 55.300 -0.054 0.000 1.110 417 M CB -0.576 32.008 32.600 -0.026 0.000 1.374 417 M HN 0.183 nan 8.290 nan 0.000 0.411 418 F N -0.579 119.163 119.950 -0.346 0.000 2.095 418 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 418 F C 1.893 177.648 175.800 -0.076 0.000 1.104 418 F CA 1.812 59.678 58.000 -0.223 0.000 1.232 418 F CB -0.433 38.207 39.000 -0.601 0.000 0.987 418 F HN -0.042 nan 8.300 nan 0.000 0.475 419 V N 0.143 120.103 119.914 0.076 0.000 2.358 419 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 419 V C 2.720 178.799 176.094 -0.025 0.000 1.047 419 V CA 1.881 64.204 62.300 0.037 0.000 1.035 419 V CB -1.565 30.294 31.823 0.061 0.000 0.658 419 V HN 0.542 nan 8.190 nan 0.000 0.452 420 G N 0.690 109.483 108.800 -0.010 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 1.769 176.633 174.900 -0.061 0.000 1.183 420 G CA 1.772 46.863 45.100 -0.015 0.000 0.776 420 G HN 0.577 nan 8.290 nan 0.000 0.552 421 V N -0.725 119.172 119.914 -0.027 0.000 2.427 421 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 421 V C 2.222 178.254 176.094 -0.103 0.000 1.051 421 V CA 2.155 64.452 62.300 -0.005 0.000 1.048 421 V CB -0.643 31.247 31.823 0.111 0.000 0.666 421 V HN 0.279 nan 8.190 nan 0.000 0.456 422 N N 0.108 118.695 118.700 -0.189 0.000 2.216 422 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 422 N C 1.854 177.351 175.510 -0.022 0.000 1.017 422 N CA 2.017 54.979 53.050 -0.146 0.000 0.861 422 N CB -0.194 38.136 38.487 -0.261 0.000 0.986 422 N HN 0.587 nan 8.380 nan 0.000 0.428 423 M N 0.831 120.399 119.600 -0.054 0.000 2.229 423 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 423 M C 1.607 177.851 176.300 -0.095 0.000 1.063 423 M CA 1.181 56.473 55.300 -0.014 0.000 1.114 423 M CB -0.040 32.558 32.600 -0.005 0.000 1.387 423 M HN -0.020 nan 8.290 nan 0.000 0.420 424 T N 0.281 114.676 114.554 -0.265 0.000 2.701 424 T HA -0.087 4.263 4.350 -0.000 0.000 0.263 424 T C 1.207 175.497 174.700 -0.683 0.000 1.040 424 T CA 1.685 63.441 62.100 -0.573 0.000 1.147 424 T CB -0.371 67.876 68.868 -1.035 0.000 0.865 424 T HN 0.422 nan 8.240 nan 0.000 0.426 425 F N -0.470 119.412 119.950 -0.113 0.000 2.530 425 F HA 0.295 4.822 4.527 -0.000 0.000 0.292 425 F C 1.868 177.642 175.800 -0.043 0.000 1.109 425 F CA -0.359 57.565 58.000 -0.128 0.000 1.450 425 F CB -0.330 38.548 39.000 -0.205 0.000 1.114 425 F HN 0.026 nan 8.300 nan 0.000 0.560 426 F N 2.683 122.692 119.950 0.098 0.000 2.095 426 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 426 F C -0.881 174.739 175.800 -0.299 0.000 1.104 426 F CA 1.217 59.254 58.000 0.061 0.000 1.232 426 F CB -1.654 37.370 39.000 0.041 0.000 0.987 426 F HN -0.147 nan 8.300 nan 0.000 0.475 427 P HA -0.160 nan 4.420 nan 0.000 0.222 427 P C 1.130 178.089 177.300 -0.568 0.000 1.147 427 P CA 1.495 64.252 63.100 -0.571 0.000 0.790 427 P CB -0.189 31.487 31.700 -0.040 0.000 0.780 428 Q N -1.807 117.743 119.800 -0.417 0.000 2.364 428 Q HA -0.183 4.157 4.340 -0.000 0.000 0.207 428 Q C 1.659 177.423 176.000 -0.394 0.000 0.970 428 Q CA 1.066 56.693 55.803 -0.294 0.000 0.888 428 Q CB -0.569 28.110 28.738 -0.098 0.000 0.951 428 Q HN 0.529 nan 8.270 nan 0.000 0.469 429 H N -0.813 117.875 119.070 -0.636 0.000 2.357 429 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 429 H C 1.464 176.610 175.328 -0.303 0.000 1.082 429 H CA 1.578 57.257 56.048 -0.615 0.000 1.342 429 H CB 0.035 29.209 29.762 -0.980 0.000 1.389 429 H HN 0.192 nan 8.280 nan 0.000 0.511 430 F N 0.400 120.183 119.950 -0.278 0.000 2.102 430 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 430 F C 2.250 178.023 175.800 -0.046 0.000 1.105 430 F CA 0.881 58.719 58.000 -0.270 0.000 1.239 430 F CB -1.061 37.471 39.000 -0.779 0.000 0.991 430 F HN 0.086 nan 8.300 nan 0.000 0.474 431 L N -0.367 120.928 121.223 0.120 0.000 2.083 431 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 431 L C 2.708 179.622 176.870 0.073 0.000 1.083 431 L CA 1.395 56.303 54.840 0.113 0.000 0.752 431 L CB -1.348 40.645 42.059 -0.111 0.000 0.899 431 L HN 0.284 nan 8.230 nan 0.000 0.433 432 G N -0.062 108.804 108.800 0.110 0.000 2.404 432 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 432 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 432 G C 1.606 176.597 174.900 0.152 0.000 1.189 432 G CA 0.300 45.497 45.100 0.161 0.000 0.789 432 G HN 0.197 nan 8.290 nan 0.000 0.533 433 L N 1.642 122.980 121.223 0.192 0.000 2.079 433 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 433 L C 3.064 180.008 176.870 0.123 0.000 1.081 433 L CA 1.560 56.468 54.840 0.113 0.000 0.752 433 L CB -0.369 41.773 42.059 0.138 0.000 0.896 433 L HN 0.432 nan 8.230 nan 0.000 0.433 434 S N -0.874 114.944 115.700 0.196 0.000 2.607 434 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 434 S C 1.422 176.200 174.600 0.297 0.000 0.969 434 S CA 0.382 58.734 58.200 0.254 0.000 0.927 434 S CB 0.349 63.761 63.200 0.354 0.000 0.772 434 S HN 0.575 nan 8.310 nan 0.000 0.533 435 G N 1.004 109.909 108.800 0.174 0.000 2.144 435 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 435 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 435 G C -0.116 174.748 174.900 -0.061 0.000 0.988 435 G CA 0.023 45.189 45.100 0.110 0.000 0.659 435 G HN 0.608 nan 8.290 nan 0.000 0.522 436 M N 1.714 121.114 119.600 -0.334 0.000 2.227 436 M HA 0.417 4.897 4.480 -0.000 0.000 0.349 436 M C -2.127 174.011 176.300 -0.270 0.000 1.443 436 M CA -1.407 53.517 55.300 -0.626 0.000 1.110 436 M CB 0.723 32.771 32.600 -0.921 0.000 1.773 436 M HN -0.013 nan 8.290 nan 0.000 0.463 437 P HA 0.208 nan 4.420 nan 0.000 0.274 437 P C -1.113 176.013 177.300 -0.290 0.000 1.237 437 P CA -0.196 62.610 63.100 -0.490 0.000 0.793 437 P CB 0.581 31.641 31.700 -1.066 0.000 0.977 438 R N 1.209 121.591 120.500 -0.195 0.000 2.560 438 R HA 0.334 4.674 4.340 -0.000 0.000 0.270 438 R C 0.460 176.823 176.300 0.104 0.000 1.074 438 R CA -0.375 55.665 56.100 -0.100 0.000 1.140 438 R CB 0.163 30.378 30.300 -0.142 0.000 1.073 438 R HN 0.409 nan 8.270 nan 0.000 0.527 439 R N -0.219 120.438 120.500 0.261 0.000 3.651 439 R HA -0.236 4.104 4.340 -0.000 0.000 0.292 439 R C -1.101 175.578 176.300 0.630 0.000 1.161 439 R CA 0.786 57.145 56.100 0.431 0.000 0.787 439 R CB -1.996 28.465 30.300 0.268 0.000 1.249 439 R HN 0.557 nan 8.270 nan 0.000 0.476 440 Y N -0.464 120.006 120.300 0.283 0.000 2.330 440 Y HA 0.134 4.684 4.550 -0.000 0.000 0.336 440 Y C 1.708 177.435 175.900 -0.288 0.000 1.036 440 Y CA -0.198 57.949 58.100 0.078 0.000 1.125 440 Y CB 1.542 40.062 38.460 0.100 0.000 1.194 440 Y HN 0.188 nan 8.280 nan 0.000 0.469 441 S N 0.255 115.694 115.700 -0.436 0.000 2.496 441 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 441 S C -0.094 174.263 174.600 -0.405 0.000 0.996 441 S CA 0.381 58.082 58.200 -0.832 0.000 0.927 441 S CB 0.183 63.071 63.200 -0.520 0.000 0.774 441 S HN 0.697 nan 8.310 nan 0.000 0.524 442 D N -0.470 119.785 120.400 -0.242 0.000 2.609 442 D HA 0.526 5.166 4.640 -0.000 0.000 0.239 442 D C -1.603 174.640 176.300 -0.096 0.000 1.229 442 D CA -0.789 53.033 54.000 -0.297 0.000 0.808 442 D CB 1.646 42.264 40.800 -0.303 0.000 1.448 442 D HN 0.236 nan 8.370 nan 0.000 0.433 443 Y N -1.595 118.750 120.300 0.075 0.000 2.581 443 Y HA 0.781 5.331 4.550 -0.000 0.000 0.345 443 Y C -2.691 173.332 175.900 0.205 0.000 1.036 443 Y CA -2.600 55.615 58.100 0.192 0.000 1.042 443 Y CB -0.168 38.391 38.460 0.164 0.000 1.289 443 Y HN 0.056 nan 8.280 nan 0.000 0.471 444 P HA 0.074 nan 4.420 nan 0.000 0.267 444 P C 0.043 177.513 177.300 0.284 0.000 1.200 444 P CA 0.234 63.511 63.100 0.294 0.000 0.772 444 P CB 0.843 32.712 31.700 0.281 0.000 0.855 445 D N 1.848 122.314 120.400 0.110 0.000 2.172 445 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 445 D C 1.858 178.160 176.300 0.004 0.000 0.999 445 D CA 1.997 56.039 54.000 0.070 0.000 0.856 445 D CB -0.687 40.114 40.800 0.001 0.000 0.934 445 D HN 0.393 nan 8.370 nan 0.000 0.453 446 A N -0.052 122.680 122.820 -0.148 0.000 2.024 446 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 446 A C 1.469 178.861 177.584 -0.320 0.000 1.164 446 A CA 1.038 52.900 52.037 -0.292 0.000 0.643 446 A CB -0.889 17.852 19.000 -0.431 0.000 0.806 446 A HN 0.302 nan 8.150 nan 0.000 0.451 447 Y N 0.261 120.558 120.300 -0.005 0.000 2.529 447 Y HA 0.028 4.578 4.550 -0.000 0.000 0.290 447 Y C 2.436 178.146 175.900 -0.316 0.000 1.177 447 Y CA 0.633 58.642 58.100 -0.150 0.000 1.305 447 Y CB -1.079 37.246 38.460 -0.224 0.000 1.047 447 Y HN 0.226 nan 8.280 nan 0.000 0.522 448 T N 0.280 114.824 114.554 -0.016 0.000 2.684 448 T HA -0.322 4.028 4.350 -0.000 0.000 0.267 448 T C 2.074 176.691 174.700 -0.138 0.000 1.036 448 T CA 1.876 63.984 62.100 0.014 0.000 1.148 448 T CB -0.285 68.635 68.868 0.087 0.000 0.863 448 T HN 0.458 nan 8.240 nan 0.000 0.436 449 M N -0.312 119.112 119.600 -0.293 0.000 2.065 449 M HA -0.140 4.340 4.480 -0.000 0.000 0.259 449 M C 1.978 178.112 176.300 -0.277 0.000 1.071 449 M CA 1.981 57.035 55.300 -0.410 0.000 1.109 449 M CB -0.331 31.812 32.600 -0.760 0.000 1.313 449 M HN 0.414 nan 8.290 nan 0.000 0.408 450 W N 0.470 121.752 121.300 -0.030 0.000 2.363 450 W HA -0.156 4.504 4.660 -0.000 0.000 0.296 450 W C 2.215 178.660 176.519 -0.124 0.000 1.212 450 W CA 0.290 57.619 57.345 -0.025 0.000 1.260 450 W CB -0.704 28.775 29.460 0.031 0.000 1.131 450 W HN 0.345 nan 8.180 nan 0.000 0.530 451 N N -0.136 118.534 118.700 -0.051 0.000 2.244 451 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 451 N C 1.509 176.988 175.510 -0.052 0.000 1.016 451 N CA 1.869 54.815 53.050 -0.174 0.000 0.866 451 N CB -0.473 37.721 38.487 -0.487 0.000 0.980 451 N HN 0.120 nan 8.380 nan 0.000 0.430 452 T N 1.907 116.445 114.554 -0.025 0.000 2.737 452 T HA 0.029 4.379 4.350 -0.000 0.000 0.265 452 T C 2.143 176.843 174.700 -0.001 0.000 1.038 452 T CA 0.595 62.689 62.100 -0.010 0.000 1.144 452 T CB -0.072 68.779 68.868 -0.027 0.000 0.866 452 T HN 0.160 nan 8.240 nan 0.000 0.434 453 I N 1.072 121.669 120.570 0.044 0.000 2.226 453 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 453 I C 2.816 178.955 176.117 0.037 0.000 1.100 453 I CA 1.026 62.373 61.300 0.079 0.000 1.374 453 I CB -0.422 37.702 38.000 0.206 0.000 1.057 453 I HN 0.258 nan 8.210 nan 0.000 0.413 454 S N 0.222 115.931 115.700 0.015 0.000 2.368 454 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 454 S C 2.201 176.748 174.600 -0.089 0.000 1.030 454 S CA 2.063 60.213 58.200 -0.084 0.000 0.999 454 S CB -0.148 62.976 63.200 -0.126 0.000 0.844 454 S HN 0.398 nan 8.310 nan 0.000 0.459 455 S N 1.110 116.791 115.700 -0.032 0.000 2.402 455 S HA 0.049 4.519 4.470 -0.000 0.000 0.229 455 S C 1.845 176.485 174.600 0.067 0.000 1.021 455 S CA 1.310 59.527 58.200 0.028 0.000 0.974 455 S CB -0.325 62.896 63.200 0.036 0.000 0.800 455 S HN 0.535 nan 8.310 nan 0.000 0.484 456 M N 0.818 120.415 119.600 -0.004 0.000 2.132 456 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 456 M C 2.523 178.862 176.300 0.065 0.000 1.065 456 M CA 1.431 56.725 55.300 -0.011 0.000 1.122 456 M CB -0.856 31.726 32.600 -0.031 0.000 1.365 456 M HN 0.445 nan 8.290 nan 0.000 0.411 457 G N 0.241 109.048 108.800 0.012 0.000 2.422 457 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 457 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 457 G C 1.638 176.528 174.900 -0.016 0.000 1.146 457 G CA 1.264 46.351 45.100 -0.021 0.000 0.769 457 G HN 0.567 nan 8.290 nan 0.000 0.547 458 S N -0.131 115.565 115.700 -0.007 0.000 2.423 458 S HA 0.018 4.488 4.470 -0.000 0.000 0.231 458 S C 2.063 176.696 174.600 0.055 0.000 1.014 458 S CA 0.778 58.972 58.200 -0.010 0.000 0.965 458 S CB -0.523 62.664 63.200 -0.021 0.000 0.785 458 S HN 0.299 nan 8.310 nan 0.000 0.495 459 F N 1.414 121.341 119.950 -0.039 0.000 2.259 459 F HA 0.246 4.773 4.527 -0.000 0.000 0.298 459 F C 2.195 177.995 175.800 -0.000 0.000 1.088 459 F CA 0.671 58.663 58.000 -0.013 0.000 1.358 459 F CB -0.210 38.785 39.000 -0.009 0.000 1.040 459 F HN 0.176 nan 8.300 nan 0.000 0.505 460 I N -1.032 119.631 120.570 0.155 0.000 2.226 460 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 460 I C 2.360 178.514 176.117 0.062 0.000 1.100 460 I CA 1.147 62.502 61.300 0.092 0.000 1.374 460 I CB -0.573 37.465 38.000 0.064 0.000 1.057 460 I HN 0.003 nan 8.210 nan 0.000 0.413 461 S N 0.907 116.632 115.700 0.043 0.000 2.382 461 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 461 S C 1.918 176.543 174.600 0.041 0.000 1.027 461 S CA 1.214 59.443 58.200 0.049 0.000 0.991 461 S CB -0.398 62.830 63.200 0.047 0.000 0.823 461 S HN 0.331 nan 8.310 nan 0.000 0.469 462 L N 1.997 123.208 121.223 -0.020 0.000 2.012 462 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 462 L C 2.168 179.038 176.870 0.000 0.000 1.073 462 L CA 2.001 56.804 54.840 -0.061 0.000 0.748 462 L CB -1.507 40.425 42.059 -0.213 0.000 0.891 462 L HN 0.189 nan 8.230 nan 0.000 0.431 463 T N 0.051 114.623 114.554 0.029 0.000 2.759 463 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 463 T C 1.903 176.669 174.700 0.109 0.000 1.042 463 T CA 1.421 63.559 62.100 0.062 0.000 1.140 463 T CB -0.572 68.342 68.868 0.077 0.000 0.864 463 T HN 0.573 nan 8.240 nan 0.000 0.455 464 A N 0.832 123.734 122.820 0.135 0.000 1.898 464 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 464 A C 2.575 180.349 177.584 0.318 0.000 1.181 464 A CA 1.167 53.348 52.037 0.241 0.000 0.620 464 A CB -0.901 18.185 19.000 0.143 0.000 0.819 464 A HN 0.359 nan 8.150 nan 0.000 0.442 465 V N 0.150 120.181 119.914 0.194 0.000 2.343 465 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 465 V C 2.635 178.779 176.094 0.083 0.000 1.051 465 V CA 2.212 64.597 62.300 0.142 0.000 1.036 465 V CB -0.730 31.137 31.823 0.073 0.000 0.654 465 V HN 0.572 nan 8.190 nan 0.000 0.451 466 M N -1.026 118.613 119.600 0.065 0.000 2.175 466 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 466 M C 2.237 178.577 176.300 0.067 0.000 1.063 466 M CA 1.632 56.955 55.300 0.039 0.000 1.119 466 M CB -0.493 32.114 32.600 0.012 0.000 1.377 466 M HN 0.332 nan 8.290 nan 0.000 0.415 467 L N 0.717 122.004 121.223 0.106 0.000 2.046 467 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 467 L C 2.480 179.411 176.870 0.102 0.000 1.077 467 L CA 1.681 56.600 54.840 0.132 0.000 0.747 467 L CB -0.559 41.629 42.059 0.215 0.000 0.896 467 L HN 0.285 nan 8.230 nan 0.000 0.432 468 M N -1.755 117.846 119.600 0.002 0.000 2.108 468 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 468 M C 2.006 178.250 176.300 -0.093 0.000 1.066 468 M CA 2.034 57.201 55.300 -0.221 0.000 1.107 468 M CB -0.104 32.311 32.600 -0.309 0.000 1.356 468 M HN 0.160 nan 8.290 nan 0.000 0.406 469 V N 0.620 120.530 119.914 -0.006 0.000 2.343 469 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 469 V C 2.194 178.339 176.094 0.086 0.000 1.051 469 V CA 2.176 64.498 62.300 0.037 0.000 1.036 469 V CB -1.105 30.744 31.823 0.044 0.000 0.654 469 V HN 0.643 nan 8.190 nan 0.000 0.451 470 F N 0.745 120.669 119.950 -0.044 0.000 2.134 470 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 470 F C 2.094 177.887 175.800 -0.011 0.000 1.097 470 F CA 1.630 59.614 58.000 -0.027 0.000 1.264 470 F CB -0.352 38.543 39.000 -0.175 0.000 1.001 470 F HN 0.074 nan 8.300 nan 0.000 0.479 471 I N 0.379 120.685 120.570 -0.440 0.000 2.208 471 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 471 I C 2.413 178.292 176.117 -0.397 0.000 1.097 471 I CA 1.652 62.632 61.300 -0.534 0.000 1.363 471 I CB -0.529 37.331 38.000 -0.234 0.000 1.051 471 I HN 0.193 nan 8.210 nan 0.000 0.413 472 I N -0.594 119.850 120.570 -0.211 0.000 2.315 472 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 472 I C 2.448 178.583 176.117 0.029 0.000 1.117 472 I CA 1.403 62.630 61.300 -0.121 0.000 1.404 472 I CB -0.415 37.642 38.000 0.095 0.000 1.071 472 I HN 0.419 nan 8.210 nan 0.000 0.419 473 W N 2.239 123.471 121.300 -0.112 0.000 2.358 473 W HA -0.225 4.435 4.660 -0.000 0.000 0.303 473 W C 2.479 178.911 176.519 -0.145 0.000 1.208 473 W CA 1.648 58.967 57.345 -0.044 0.000 1.274 473 W CB -0.200 29.213 29.460 -0.079 0.000 1.138 473 W HN 0.045 nan 8.180 nan 0.000 0.515 474 E N 0.691 120.554 120.200 -0.562 0.000 2.118 474 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 474 E C 2.110 178.370 176.600 -0.566 0.000 0.992 474 E CA 1.714 57.645 56.400 -0.783 0.000 0.804 474 E CB -0.520 28.732 29.700 -0.747 0.000 0.741 474 E HN 0.334 nan 8.360 nan 0.000 0.458 475 A N 0.165 122.729 122.820 -0.427 0.000 1.877 475 A HA -0.137 4.184 4.320 -0.000 0.000 0.216 475 A C 2.132 179.475 177.584 -0.402 0.000 1.186 475 A CA 1.262 53.096 52.037 -0.339 0.000 0.620 475 A CB -1.032 17.770 19.000 -0.329 0.000 0.822 475 A HN 0.318 nan 8.150 nan 0.000 0.443 476 F N -0.135 119.655 119.950 -0.267 0.000 2.293 476 F HA -0.036 4.491 4.527 -0.000 0.000 0.300 476 F C 2.697 178.194 175.800 -0.504 0.000 1.086 476 F CA 0.658 58.459 58.000 -0.331 0.000 1.375 476 F CB 0.010 38.954 39.000 -0.093 0.000 1.045 476 F HN 0.289 nan 8.300 nan 0.000 0.516 477 A N -0.915 121.592 122.820 -0.522 0.000 1.897 477 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 477 A C 2.269 179.605 177.584 -0.413 0.000 1.181 477 A CA 1.768 53.438 52.037 -0.610 0.000 0.620 477 A CB -0.774 17.455 19.000 -1.284 0.000 0.821 477 A HN 0.253 nan 8.150 nan 0.000 0.443 478 S N -0.756 114.702 115.700 -0.404 0.000 2.414 478 S HA 0.036 4.506 4.470 -0.000 0.000 0.227 478 S C 0.423 174.875 174.600 -0.247 0.000 1.022 478 S CA 0.642 58.685 58.200 -0.261 0.000 0.958 478 S CB -0.150 62.929 63.200 -0.202 0.000 0.797 478 S HN 0.576 nan 8.310 nan 0.000 0.493 479 K N 1.091 121.236 120.400 -0.426 0.000 3.393 479 K HA -0.162 4.158 4.320 -0.000 0.000 0.272 479 K C -0.892 175.653 176.600 -0.091 0.000 1.004 479 K CA 0.274 56.249 56.287 -0.520 0.000 0.764 479 K CB -1.177 31.129 32.500 -0.323 0.000 1.373 479 K HN 0.352 nan 8.250 nan 0.000 0.458 480 R N 1.857 122.345 120.500 -0.020 0.000 2.248 480 R HA 0.096 4.436 4.340 -0.000 0.000 0.337 480 R C -0.116 176.310 176.300 0.210 0.000 1.106 480 R CA -0.200 55.949 56.100 0.081 0.000 0.959 480 R CB 0.444 30.771 30.300 0.045 0.000 1.075 480 R HN 0.253 nan 8.270 nan 0.000 0.480 481 E N 2.016 122.341 120.200 0.208 0.000 2.316 481 E HA 0.062 4.412 4.350 -0.000 0.000 0.275 481 E C -0.029 176.621 176.600 0.084 0.000 1.029 481 E CA -0.368 56.133 56.400 0.168 0.000 0.871 481 E CB 1.289 31.065 29.700 0.126 0.000 1.022 481 E HN 0.196 nan 8.360 nan 0.000 0.418 482 V N 4.780 124.723 119.914 0.049 0.000 2.763 482 V HA -0.082 4.038 4.120 -0.000 0.000 0.306 482 V C 1.132 177.246 176.094 0.033 0.000 1.059 482 V CA 0.674 62.996 62.300 0.038 0.000 1.138 482 V CB 0.477 32.324 31.823 0.039 0.000 0.940 482 V HN 0.702 nan 8.190 nan 0.000 0.489 483 L N 2.286 123.526 121.223 0.028 0.000 2.924 483 L HA 0.275 4.615 4.340 -0.000 0.000 0.172 483 L C 0.741 177.624 176.870 0.022 0.000 1.292 483 L CA 0.466 55.321 54.840 0.025 0.000 0.870 483 L CB 0.245 42.316 42.059 0.020 0.000 1.305 483 L HN 0.620 nan 8.230 nan 0.000 0.535 484 T N 0.634 115.192 114.554 0.006 0.000 2.885 484 T HA 0.608 4.958 4.350 -0.000 0.000 0.285 484 T C -0.740 173.931 174.700 -0.049 0.000 1.019 484 T CA -0.312 61.783 62.100 -0.008 0.000 1.010 484 T CB 2.737 71.598 68.868 -0.010 0.000 1.022 484 T HN -0.182 nan 8.240 nan 0.000 0.466 485 V N 2.297 122.166 119.914 -0.075 0.000 2.709 485 V HA 0.412 4.532 4.120 -0.000 0.000 0.308 485 V C -0.350 175.663 176.094 -0.134 0.000 1.062 485 V CA -0.955 61.230 62.300 -0.192 0.000 0.901 485 V CB 2.193 33.788 31.823 -0.381 0.000 1.003 485 V HN 0.823 nan 8.190 nan 0.000 0.425 486 D N 2.350 122.674 120.400 -0.126 0.000 2.348 486 D HA 0.514 5.154 4.640 -0.000 0.000 0.249 486 D C 0.797 177.013 176.300 -0.141 0.000 1.110 486 D CA -0.062 53.865 54.000 -0.122 0.000 0.967 486 D CB 1.241 41.948 40.800 -0.154 0.000 1.139 486 D HN 0.565 nan 8.370 nan 0.000 0.466 487 L N 0.681 121.818 121.223 -0.142 0.000 4.040 487 L HA -0.302 4.038 4.340 -0.000 0.000 0.410 487 L C 1.654 178.544 176.870 0.033 0.000 1.187 487 L CA 0.682 55.452 54.840 -0.118 0.000 0.956 487 L CB -2.456 39.402 42.059 -0.335 0.000 2.022 487 L HN 0.551 nan 8.230 nan 0.000 0.897 488 T N -5.171 109.419 114.554 0.060 0.000 2.929 488 T HA -0.172 4.178 4.350 -0.000 0.000 0.271 488 T C 1.738 176.533 174.700 0.157 0.000 1.085 488 T CA 1.472 63.665 62.100 0.156 0.000 1.125 488 T CB -0.428 68.532 68.868 0.153 0.000 0.874 488 T HN 0.609 nan 8.240 nan 0.000 0.494 489 T N 0.613 115.225 114.554 0.097 0.000 2.929 489 T HA -0.081 4.269 4.350 -0.000 0.000 0.271 489 T C 1.674 176.439 174.700 0.109 0.000 1.085 489 T CA 1.400 63.555 62.100 0.092 0.000 1.125 489 T CB -0.890 68.010 68.868 0.054 0.000 0.874 489 T HN 0.653 nan 8.240 nan 0.000 0.494 490 T N -1.192 113.435 114.554 0.122 0.000 3.252 490 T HA 0.352 4.702 4.350 -0.000 0.000 0.286 490 T C 0.049 174.888 174.700 0.231 0.000 1.013 490 T CA -0.840 61.343 62.100 0.138 0.000 0.914 490 T CB -0.104 68.812 68.868 0.080 0.000 1.131 490 T HN 0.283 nan 8.240 nan 0.000 0.529 491 N N 1.359 120.247 118.700 0.312 0.000 2.716 491 N HA 0.172 4.912 4.740 -0.000 0.000 0.245 491 N C 0.353 176.157 175.510 0.489 0.000 1.495 491 N CA -0.276 53.065 53.050 0.485 0.000 0.759 491 N CB 1.718 40.594 38.487 0.650 0.000 1.261 491 N HN 0.048 nan 8.380 nan 0.000 0.515 492 L N 2.107 123.555 121.223 0.375 0.000 2.129 492 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 492 L C 2.450 179.544 176.870 0.372 0.000 1.087 492 L CA 2.016 57.063 54.840 0.345 0.000 0.757 492 L CB -0.120 42.107 42.059 0.281 0.000 0.896 492 L HN 0.441 nan 8.230 nan 0.000 0.434 493 E N -1.585 118.818 120.200 0.338 0.000 2.265 493 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 493 E C 1.736 178.405 176.600 0.116 0.000 0.996 493 E CA 1.658 58.182 56.400 0.207 0.000 0.832 493 E CB -0.904 28.840 29.700 0.074 0.000 0.756 493 E HN 0.712 nan 8.360 nan 0.000 0.491 494 W N 0.180 121.618 121.300 0.230 0.000 2.942 494 W HA 0.206 4.866 4.660 -0.000 0.000 0.263 494 W C 1.772 178.364 176.519 0.122 0.000 1.296 494 W CA -0.568 56.868 57.345 0.152 0.000 1.504 494 W CB -0.036 29.495 29.460 0.119 0.000 1.096 494 W HN 0.052 nan 8.180 nan 0.000 0.639 495 L N 1.133 122.561 121.223 0.342 0.000 2.450 495 L HA -0.091 4.249 4.340 -0.000 0.000 0.224 495 L C 1.187 178.133 176.870 0.126 0.000 1.149 495 L CA 1.587 56.562 54.840 0.225 0.000 0.816 495 L CB -0.617 41.578 42.059 0.226 0.000 0.932 495 L HN 0.027 nan 8.230 nan 0.000 0.449 496 N N -0.051 118.708 118.700 0.097 0.000 2.251 496 N HA 0.225 4.965 4.740 -0.000 0.000 0.217 496 N C 0.684 176.226 175.510 0.052 0.000 1.124 496 N CA 0.755 53.812 53.050 0.011 0.000 0.843 496 N CB 0.506 38.938 38.487 -0.093 0.000 1.024 496 N HN 0.337 nan 8.380 nan 0.000 0.501 497 G N 0.491 109.355 108.800 0.106 0.000 2.795 497 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.664 497 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.664 497 G C -0.754 174.208 174.900 0.103 0.000 1.381 497 G CA -0.737 44.424 45.100 0.102 0.000 0.853 497 G HN 0.295 nan 8.290 nan 0.000 0.545 498 C N 2.528 121.873 119.300 0.075 0.000 2.344 498 C HA 0.710 5.170 4.460 -0.000 0.000 0.326 498 C C -1.356 173.611 174.990 -0.038 0.000 1.201 498 C CA -0.828 58.206 59.018 0.028 0.000 1.410 498 C CB 1.112 28.885 27.740 0.055 0.000 2.070 498 C HN 0.830 nan 8.230 nan 0.000 0.445 499 P HA 0.402 nan 4.420 nan 0.000 0.279 499 P C -2.633 174.720 177.300 0.088 0.000 1.252 499 P CA -1.258 61.871 63.100 0.048 0.000 0.811 499 P CB 0.520 32.275 31.700 0.093 0.000 1.035 500 P HA 0.202 nan 4.420 nan 0.000 0.272 500 P C -2.266 175.068 177.300 0.056 0.000 1.230 500 P CA -1.424 61.730 63.100 0.091 0.000 0.788 500 P CB -1.038 30.735 31.700 0.121 0.000 0.949 501 P HA -0.034 nan 4.420 nan 0.000 0.270 501 P C 0.784 178.087 177.300 0.006 0.000 1.223 501 P CA -0.052 63.065 63.100 0.029 0.000 0.785 501 P CB 0.529 32.248 31.700 0.032 0.000 0.923 502 Y N 1.928 122.135 120.300 -0.155 0.000 2.062 502 Y HA -0.258 4.292 4.550 -0.000 0.000 0.276 502 Y C 0.957 176.668 175.900 -0.315 0.000 1.189 502 Y CA 1.791 59.709 58.100 -0.304 0.000 1.130 502 Y CB -0.500 37.727 38.460 -0.388 0.000 0.959 502 Y HN 0.437 nan 8.280 nan 0.000 0.499 503 H N -0.009 119.107 119.070 0.077 0.000 2.597 503 H HA 0.329 4.885 4.556 -0.000 0.000 0.303 503 H C -0.236 175.084 175.328 -0.014 0.000 1.057 503 H CA -0.246 55.811 56.048 0.015 0.000 1.261 503 H CB 0.828 30.634 29.762 0.074 0.000 1.397 503 H HN 0.066 nan 8.280 nan 0.000 0.461 504 T N -0.249 114.371 114.554 0.109 0.000 2.932 504 T HA 0.313 4.663 4.350 -0.000 0.000 0.289 504 T C -0.081 174.657 174.700 0.064 0.000 1.039 504 T CA -0.943 61.133 62.100 -0.040 0.000 1.024 504 T CB 0.990 69.780 68.868 -0.130 0.000 1.090 504 T HN 0.557 nan 8.240 nan 0.000 0.496 505 F N -0.440 119.545 119.950 0.058 0.000 3.091 505 F HA -0.201 4.326 4.527 -0.000 0.000 0.288 505 F C 1.290 177.100 175.800 0.016 0.000 0.907 505 F CA 0.442 58.462 58.000 0.035 0.000 1.028 505 F CB -2.461 36.550 39.000 0.019 0.000 1.022 505 F HN 0.805 nan 8.300 nan 0.000 0.665 506 E N 0.276 120.531 120.200 0.093 0.000 2.153 506 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 506 E C 1.082 177.714 176.600 0.052 0.000 0.988 506 E CA 1.362 57.786 56.400 0.041 0.000 0.811 506 E CB 0.075 29.770 29.700 -0.008 0.000 0.746 506 E HN 0.629 nan 8.360 nan 0.000 0.466 507 E N 1.822 122.066 120.200 0.072 0.000 2.092 507 E HA 0.149 4.499 4.350 -0.000 0.000 0.271 507 E C -2.381 174.309 176.600 0.150 0.000 0.919 507 E CA -2.654 53.795 56.400 0.082 0.000 0.760 507 E CB 0.961 30.698 29.700 0.063 0.000 1.106 507 E HN -0.167 nan 8.360 nan 0.000 0.408 508 P HA -0.015 nan 4.420 nan 0.000 0.271 508 P C -0.160 177.258 177.300 0.196 0.000 1.233 508 P CA -0.306 62.897 63.100 0.171 0.000 0.789 508 P CB 0.551 32.293 31.700 0.070 0.000 0.951 509 T N -0.972 113.706 114.554 0.207 0.000 2.856 509 T HA 0.090 4.440 4.350 -0.000 0.000 0.306 509 T C -0.367 174.437 174.700 0.174 0.000 1.062 509 T CA -0.214 62.011 62.100 0.209 0.000 1.083 509 T CB 0.018 68.983 68.868 0.162 0.000 0.984 509 T HN 0.394 nan 8.240 nan 0.000 0.542 510 Y N 1.657 121.996 120.300 0.064 0.000 2.335 510 Y HA 0.550 5.100 4.550 -0.000 0.000 0.339 510 Y C -1.255 174.666 175.900 0.034 0.000 0.987 510 Y CA -1.210 56.915 58.100 0.041 0.000 1.140 510 Y CB 0.836 39.320 38.460 0.040 0.000 1.173 510 Y HN 0.583 nan 8.280 nan 0.000 0.486 511 V N 6.664 126.403 119.914 -0.292 0.000 2.488 511 V HA 0.258 4.378 4.120 -0.000 0.000 0.293 511 V C -0.520 175.360 176.094 -0.357 0.000 1.027 511 V CA -1.256 60.930 62.300 -0.190 0.000 0.862 511 V CB 1.413 33.189 31.823 -0.079 0.000 1.008 511 V HN 0.856 nan 8.190 nan 0.000 0.428 512 N N 2.830 121.370 118.700 -0.267 0.000 2.453 512 N HA 0.191 4.931 4.740 -0.000 0.000 0.253 512 N C 0.695 176.145 175.510 -0.100 0.000 1.252 512 N CA -0.440 52.499 53.050 -0.186 0.000 0.917 512 N CB 0.946 39.434 38.487 0.002 0.000 1.117 512 N HN 0.559 nan 8.380 nan 0.000 0.442 513 L N 1.570 122.743 121.223 -0.083 0.000 2.298 513 L HA 0.186 4.526 4.340 -0.000 0.000 0.209 513 L C 0.286 177.146 176.870 -0.018 0.000 1.084 513 L CA 1.258 56.069 54.840 -0.047 0.000 0.816 513 L CB -0.486 41.544 42.059 -0.048 0.000 0.967 513 L HN 0.704 nan 8.230 nan 0.000 0.460 514 K N 0.000 120.395 120.400 -0.008 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.292 56.287 0.008 0.000 0.838 514 K CB 0.000 32.508 32.500 0.013 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543