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 3ag4_1_N 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 58.055 58.000 0.091 0.000 1.383 2 F CB 0.000 39.053 39.000 0.088 0.000 1.145 3 I N 1.719 122.347 120.570 0.096 0.000 2.208 3 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 3 I C 1.680 177.443 176.117 -0.591 0.000 1.097 3 I CA 1.889 63.041 61.300 -0.247 0.000 1.363 3 I CB -0.587 37.236 38.000 -0.296 0.000 1.051 3 I HN 0.322 nan 8.210 nan 0.000 0.413 4 N N 0.719 119.159 118.700 -0.433 0.000 2.069 4 N HA -0.213 4.527 4.740 -0.000 0.000 0.191 4 N C 1.893 177.241 175.510 -0.271 0.000 1.031 4 N CA 1.314 54.175 53.050 -0.317 0.000 0.852 4 N CB -0.411 38.002 38.487 -0.124 0.000 1.018 4 N HN 0.302 nan 8.380 nan 0.000 0.423 5 R N -0.900 119.371 120.500 -0.382 0.000 2.066 5 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 5 R C 1.373 177.213 176.300 -0.768 0.000 1.131 5 R CA 1.412 57.132 56.100 -0.633 0.000 0.955 5 R CB -0.148 29.638 30.300 -0.855 0.000 0.851 5 R HN 0.304 nan 8.270 nan 0.000 0.432 6 W N -1.267 119.826 121.300 -0.344 0.000 2.907 6 W HA 0.173 4.833 4.660 -0.000 0.000 0.271 6 W C 1.143 177.668 176.519 0.010 0.000 1.253 6 W CA -0.572 56.593 57.345 -0.300 0.000 1.501 6 W CB 0.419 29.486 29.460 -0.656 0.000 1.047 6 W HN 0.072 nan 8.180 nan 0.000 0.610 7 L N -1.690 119.564 121.223 0.051 0.000 2.575 7 L HA 0.219 4.559 4.340 -0.000 0.000 0.228 7 L C 0.683 177.744 176.870 0.318 0.000 1.075 7 L CA 0.877 55.757 54.840 0.066 0.000 0.867 7 L CB -0.406 41.476 42.059 -0.295 0.000 1.097 7 L HN -0.143 nan 8.230 nan 0.000 0.485 8 F N -1.322 118.629 119.950 0.001 0.000 2.735 8 F HA 0.390 4.917 4.527 -0.000 0.000 0.304 8 F C 1.236 177.029 175.800 -0.010 0.000 1.119 8 F CA -1.149 56.842 58.000 -0.015 0.000 1.280 8 F CB -0.793 38.178 39.000 -0.048 0.000 0.994 8 F HN -0.217 nan 8.300 nan 0.000 0.520 9 S N 1.051 116.844 115.700 0.155 0.000 2.558 9 S HA 0.139 4.609 4.470 -0.000 0.000 0.287 9 S C 1.089 175.708 174.600 0.032 0.000 1.321 9 S CA 0.840 59.041 58.200 0.000 0.000 1.048 9 S CB 0.324 63.456 63.200 -0.113 0.000 0.844 9 S HN 0.481 nan 8.310 nan 0.000 0.512 10 T N 1.435 115.981 114.554 -0.014 0.000 3.487 10 T HA 0.321 4.671 4.350 -0.000 0.000 0.287 10 T C -0.371 174.274 174.700 -0.091 0.000 1.004 10 T CA -0.770 61.320 62.100 -0.017 0.000 0.977 10 T CB -0.490 68.393 68.868 0.024 0.000 1.180 10 T HN 0.533 nan 8.240 nan 0.000 0.490 11 N N 1.207 119.782 118.700 -0.210 0.000 2.354 11 N HA 0.160 4.900 4.740 -0.000 0.000 0.287 11 N C 0.978 176.246 175.510 -0.403 0.000 1.016 11 N CA -0.347 52.459 53.050 -0.407 0.000 0.871 11 N CB 1.667 39.653 38.487 -0.835 0.000 1.299 11 N HN 0.572 nan 8.380 nan 0.000 0.482 12 H N 3.186 122.001 119.070 -0.425 0.000 2.422 12 H HA -0.038 4.518 4.556 -0.000 0.000 0.298 12 H C 0.939 175.892 175.328 -0.623 0.000 1.098 12 H CA 1.484 57.284 56.048 -0.412 0.000 1.315 12 H CB 0.354 29.924 29.762 -0.319 0.000 1.382 12 H HN 0.497 nan 8.280 nan 0.000 0.523 13 K N 0.293 119.838 120.400 -1.425 0.000 2.007 13 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 13 K C 1.724 177.609 176.600 -1.193 0.000 1.047 13 K CA 1.248 56.406 56.287 -1.882 0.000 0.937 13 K CB 0.035 31.334 32.500 -2.002 0.000 0.718 13 K HN 0.272 nan 8.250 nan 0.000 0.438 14 D N 1.315 121.257 120.400 -0.764 0.000 2.104 14 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 14 D C 1.948 178.102 176.300 -0.242 0.000 0.994 14 D CA 1.031 54.800 54.000 -0.384 0.000 0.830 14 D CB -0.277 40.115 40.800 -0.680 0.000 0.959 14 D HN 0.124 nan 8.370 nan 0.000 0.452 15 I N 0.934 121.301 120.570 -0.339 0.000 2.127 15 I HA -0.216 3.954 4.170 -0.000 0.000 0.241 15 I C 2.581 178.632 176.117 -0.110 0.000 1.075 15 I CA 1.506 62.654 61.300 -0.253 0.000 1.334 15 I CB -0.616 37.302 38.000 -0.137 0.000 1.040 15 I HN 0.042 nan 8.210 nan 0.000 0.405 16 G N -0.055 108.655 108.800 -0.149 0.000 2.503 16 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.221 16 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.221 16 G C 1.644 176.598 174.900 0.090 0.000 1.131 16 G CA 1.684 46.765 45.100 -0.032 0.000 0.756 16 G HN 0.316 nan 8.290 nan 0.000 0.572 17 T N 1.036 115.607 114.554 0.029 0.000 2.857 17 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 17 T C 2.446 177.174 174.700 0.047 0.000 1.048 17 T CA 0.761 62.978 62.100 0.194 0.000 1.139 17 T CB -0.143 68.897 68.868 0.287 0.000 0.874 17 T HN 0.178 nan 8.240 nan 0.000 0.455 18 L N -0.457 120.676 121.223 -0.151 0.000 2.046 18 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 18 L C 2.356 179.072 176.870 -0.256 0.000 1.077 18 L CA 1.509 56.060 54.840 -0.481 0.000 0.747 18 L CB -0.650 40.628 42.059 -1.301 0.000 0.896 18 L HN 0.246 nan 8.230 nan 0.000 0.432 19 Y N 0.127 120.358 120.300 -0.114 0.000 2.165 19 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 19 Y C 2.431 178.497 175.900 0.276 0.000 1.155 19 Y CA 1.341 59.589 58.100 0.246 0.000 1.164 19 Y CB -0.419 38.147 38.460 0.176 0.000 0.978 19 Y HN 0.063 nan 8.280 nan 0.000 0.513 20 L N -1.075 120.344 121.223 0.328 0.000 2.046 20 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 20 L C 2.271 179.306 176.870 0.275 0.000 1.077 20 L CA 1.194 56.183 54.840 0.249 0.000 0.747 20 L CB -0.744 41.420 42.059 0.175 0.000 0.896 20 L HN 0.249 nan 8.230 nan 0.000 0.432 21 L N -1.300 120.074 121.223 0.252 0.000 1.994 21 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 21 L C 2.565 179.627 176.870 0.320 0.000 1.071 21 L CA 1.384 56.363 54.840 0.232 0.000 0.745 21 L CB -0.568 41.570 42.059 0.131 0.000 0.892 21 L HN 0.128 nan 8.230 nan 0.000 0.431 22 F N 0.840 120.939 119.950 0.250 0.000 2.065 22 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 22 F C 2.269 178.310 175.800 0.401 0.000 1.112 22 F CA 1.808 60.008 58.000 0.333 0.000 1.212 22 F CB -0.745 38.477 39.000 0.370 0.000 0.975 22 F HN 0.027 nan 8.300 nan 0.000 0.476 23 G N -0.274 108.878 108.800 0.587 0.000 2.491 23 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 23 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 23 G C 1.813 176.856 174.900 0.237 0.000 1.180 23 G CA 1.230 46.580 45.100 0.418 0.000 0.774 23 G HN 0.674 nan 8.290 nan 0.000 0.562 24 A N -0.175 122.763 122.820 0.198 0.000 1.883 24 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 24 A C 2.190 179.843 177.584 0.115 0.000 1.186 24 A CA 1.769 53.872 52.037 0.109 0.000 0.624 24 A CB -0.887 18.166 19.000 0.088 0.000 0.822 24 A HN 0.563 nan 8.150 nan 0.000 0.444 25 W N 0.458 121.756 121.300 -0.004 0.000 2.335 25 W HA -0.183 4.477 4.660 -0.000 0.000 0.311 25 W C 2.582 179.098 176.519 -0.006 0.000 1.213 25 W CA 2.540 59.863 57.345 -0.036 0.000 1.274 25 W CB -0.322 29.083 29.460 -0.093 0.000 1.148 25 W HN 0.375 nan 8.180 nan 0.000 0.498 26 A N 0.245 123.183 122.820 0.198 0.000 1.940 26 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 26 A C 2.192 179.818 177.584 0.070 0.000 1.176 26 A CA 2.044 54.199 52.037 0.197 0.000 0.631 26 A CB -1.632 17.467 19.000 0.166 0.000 0.814 26 A HN 0.429 nan 8.150 nan 0.000 0.446 27 G N -1.327 107.500 108.800 0.045 0.000 2.421 27 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.217 27 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.217 27 G C 1.408 176.291 174.900 -0.028 0.000 1.143 27 G CA 1.075 46.196 45.100 0.034 0.000 0.784 27 G HN 0.324 nan 8.290 nan 0.000 0.541 28 M N 0.707 120.229 119.600 -0.130 0.000 2.159 28 M HA 0.003 4.483 4.480 -0.000 0.000 0.263 28 M C 2.711 178.889 176.300 -0.204 0.000 1.063 28 M CA 0.635 55.816 55.300 -0.199 0.000 1.110 28 M CB -1.158 31.236 32.600 -0.344 0.000 1.374 28 M HN 0.108 nan 8.290 nan 0.000 0.411 29 V N -0.048 119.711 119.914 -0.258 0.000 2.358 29 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 29 V C 2.573 178.680 176.094 0.021 0.000 1.047 29 V CA 2.030 64.232 62.300 -0.163 0.000 1.035 29 V CB -1.622 30.144 31.823 -0.095 0.000 0.658 29 V HN 0.549 nan 8.190 nan 0.000 0.452 30 G N -0.684 108.164 108.800 0.080 0.000 2.396 30 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.214 30 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.214 30 G C 1.686 176.715 174.900 0.215 0.000 1.166 30 G CA 1.249 46.459 45.100 0.183 0.000 0.793 30 G HN 0.445 nan 8.290 nan 0.000 0.533 31 T N 1.898 116.519 114.554 0.111 0.000 2.665 31 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 31 T C 2.798 177.519 174.700 0.035 0.000 1.035 31 T CA 1.747 63.894 62.100 0.078 0.000 1.151 31 T CB -0.408 68.476 68.868 0.027 0.000 0.862 31 T HN 0.359 nan 8.240 nan 0.000 0.438 32 A N 0.986 123.807 122.820 0.002 0.000 1.902 32 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 32 A C 2.332 179.925 177.584 0.016 0.000 1.181 32 A CA 1.148 53.176 52.037 -0.016 0.000 0.623 32 A CB -0.846 18.126 19.000 -0.047 0.000 0.818 32 A HN 0.466 nan 8.150 nan 0.000 0.443 33 L N 0.383 121.639 121.223 0.056 0.000 1.989 33 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 33 L C 3.090 179.930 176.870 -0.050 0.000 1.071 33 L CA 1.842 56.720 54.840 0.063 0.000 0.749 33 L CB -0.593 41.572 42.059 0.176 0.000 0.890 33 L HN 0.625 nan 8.230 nan 0.000 0.431 34 S N -0.047 115.571 115.700 -0.137 0.000 2.400 34 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 34 S C 1.941 176.480 174.600 -0.103 0.000 1.025 34 S CA 1.175 59.174 58.200 -0.335 0.000 0.993 34 S CB -0.643 62.420 63.200 -0.228 0.000 0.808 34 S HN 0.389 nan 8.310 nan 0.000 0.478 35 L N 0.229 121.441 121.223 -0.018 0.000 2.179 35 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 35 L C 2.527 179.450 176.870 0.088 0.000 1.096 35 L CA 0.683 55.556 54.840 0.055 0.000 0.779 35 L CB -0.419 41.660 42.059 0.033 0.000 0.922 35 L HN 0.316 nan 8.230 nan 0.000 0.443 36 L N -0.578 120.677 121.223 0.054 0.000 2.093 36 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 36 L C 2.398 179.340 176.870 0.118 0.000 1.085 36 L CA 1.215 56.104 54.840 0.082 0.000 0.755 36 L CB -0.307 41.790 42.059 0.063 0.000 0.904 36 L HN 0.177 nan 8.230 nan 0.000 0.435 37 I N -0.729 119.880 120.570 0.064 0.000 2.142 37 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 37 I C 2.713 178.960 176.117 0.216 0.000 1.078 37 I CA 1.208 62.601 61.300 0.154 0.000 1.343 37 I CB -0.304 37.699 38.000 0.004 0.000 1.046 37 I HN 0.206 nan 8.210 nan 0.000 0.405 38 R N 0.644 121.207 120.500 0.105 0.000 2.148 38 R HA -0.021 4.319 4.340 -0.000 0.000 0.223 38 R C 2.238 178.584 176.300 0.077 0.000 1.088 38 R CA 1.206 57.351 56.100 0.074 0.000 0.985 38 R CB -0.487 29.820 30.300 0.013 0.000 0.880 38 R HN 0.380 nan 8.270 nan 0.000 0.451 39 A N 1.064 123.949 122.820 0.108 0.000 1.930 39 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 39 A C 2.082 179.709 177.584 0.073 0.000 1.175 39 A CA 1.553 53.639 52.037 0.082 0.000 0.627 39 A CB -0.272 18.802 19.000 0.123 0.000 0.815 39 A HN 0.219 nan 8.150 nan 0.000 0.443 40 E N 0.445 120.717 120.200 0.120 0.000 2.077 40 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 40 E C 1.610 178.229 176.600 0.032 0.000 0.989 40 E CA 1.390 57.841 56.400 0.085 0.000 0.800 40 E CB -0.389 29.414 29.700 0.171 0.000 0.746 40 E HN 0.587 nan 8.360 nan 0.000 0.452 41 L N -0.729 120.556 121.223 0.104 0.000 2.554 41 L HA 0.216 4.556 4.340 -0.000 0.000 0.226 41 L C 2.107 179.093 176.870 0.193 0.000 1.137 41 L CA 0.444 55.398 54.840 0.189 0.000 0.863 41 L CB -0.137 42.041 42.059 0.198 0.000 0.985 41 L HN 0.227 nan 8.230 nan 0.000 0.451 42 G N 0.217 109.063 108.800 0.077 0.000 2.534 42 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 42 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 42 G C 0.555 175.478 174.900 0.038 0.000 1.128 42 G CA 0.122 45.233 45.100 0.020 0.000 0.784 42 G HN 0.516 nan 8.290 nan 0.000 0.542 43 Q N -0.512 119.324 119.800 0.059 0.000 2.462 43 Q HA 0.539 4.879 4.340 -0.000 0.000 0.285 43 Q C -3.198 172.808 176.000 0.011 0.000 1.035 43 Q CA -2.337 53.503 55.803 0.062 0.000 0.799 43 Q CB 2.108 30.847 28.738 0.002 0.000 1.452 43 Q HN -0.117 nan 8.270 nan 0.000 0.404 44 P HA 0.358 nan 4.420 nan 0.000 0.269 44 P C 0.209 177.391 177.300 -0.198 0.000 1.209 44 P CA 1.169 64.123 63.100 -0.244 0.000 0.776 44 P CB 0.676 32.324 31.700 -0.087 0.000 0.876 45 G N 0.154 108.798 108.800 -0.259 0.000 2.409 45 G HA2 0.046 4.006 3.960 -0.000 0.000 0.421 45 G HA3 0.046 4.006 3.960 -0.000 0.000 0.421 45 G C -1.197 173.599 174.900 -0.173 0.000 1.259 45 G CA -0.365 44.634 45.100 -0.169 0.000 1.011 45 G HN 0.717 nan 8.290 nan 0.000 0.497 46 T N -0.309 114.176 114.554 -0.116 0.000 2.829 46 T HA 0.571 4.921 4.350 -0.000 0.000 0.280 46 T C 0.951 175.617 174.700 -0.057 0.000 0.999 46 T CA 0.382 62.423 62.100 -0.098 0.000 0.983 46 T CB 1.376 70.196 68.868 -0.080 0.000 0.968 46 T HN 1.369 nan 8.240 nan 0.000 0.446 47 L N 5.134 126.335 121.223 -0.037 0.000 2.262 47 L HA 0.492 4.832 4.340 -0.000 0.000 0.197 47 L C 1.832 178.712 176.870 0.016 0.000 1.073 47 L CA 1.175 56.014 54.840 -0.003 0.000 0.800 47 L CB -0.456 41.614 42.059 0.020 0.000 0.987 47 L HN 0.737 nan 8.230 nan 0.000 0.470 48 L N -0.050 121.194 121.223 0.034 0.000 2.240 48 L HA 0.185 4.525 4.340 -0.000 0.000 0.211 48 L C 1.581 178.471 176.870 0.034 0.000 1.106 48 L CA 0.749 55.621 54.840 0.053 0.000 0.793 48 L CB -0.812 41.307 42.059 0.100 0.000 0.927 48 L HN 0.575 nan 8.230 nan 0.000 0.446 49 G N 0.295 109.103 108.800 0.012 0.000 2.168 49 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 49 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 49 G C -0.027 174.880 174.900 0.013 0.000 0.997 49 G CA 0.602 45.703 45.100 0.001 0.000 0.708 49 G HN 0.430 nan 8.290 nan 0.000 0.520 50 D N -0.461 119.958 120.400 0.032 0.000 2.319 50 D HA 0.281 4.921 4.640 -0.000 0.000 0.237 50 D C 0.394 176.743 176.300 0.081 0.000 1.353 50 D CA -0.505 53.523 54.000 0.047 0.000 0.992 50 D CB 0.547 41.380 40.800 0.055 0.000 1.368 50 D HN -0.024 nan 8.370 nan 0.000 0.564 51 D N 1.874 122.311 120.400 0.063 0.000 2.317 51 D HA -0.122 4.518 4.640 -0.000 0.000 0.211 51 D C 1.606 178.000 176.300 0.157 0.000 0.966 51 D CA 0.529 54.590 54.000 0.102 0.000 0.876 51 D CB 0.561 41.374 40.800 0.022 0.000 0.927 51 D HN 0.436 nan 8.370 nan 0.000 0.519 52 Q N 1.075 120.941 119.800 0.109 0.000 2.050 52 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 52 Q C 2.076 178.160 176.000 0.140 0.000 0.980 52 Q CA 1.189 57.063 55.803 0.118 0.000 0.840 52 Q CB -0.278 28.503 28.738 0.073 0.000 0.898 52 Q HN 0.268 nan 8.270 nan 0.000 0.424 53 I N -0.278 120.370 120.570 0.129 0.000 2.226 53 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 53 I C 2.086 178.289 176.117 0.143 0.000 1.100 53 I CA 1.340 62.713 61.300 0.123 0.000 1.374 53 I CB -0.493 37.571 38.000 0.108 0.000 1.057 53 I HN 0.318 nan 8.210 nan 0.000 0.413 54 Y N 2.546 122.888 120.300 0.070 0.000 2.081 54 Y HA -0.349 4.201 4.550 -0.000 0.000 0.280 54 Y C 2.408 178.368 175.900 0.099 0.000 1.163 54 Y CA 2.029 60.176 58.100 0.078 0.000 1.135 54 Y CB -0.333 38.167 38.460 0.067 0.000 0.970 54 Y HN 0.188 nan 8.280 nan 0.000 0.498 55 N N -0.079 118.708 118.700 0.145 0.000 2.223 55 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 55 N C 1.914 177.438 175.510 0.023 0.000 1.016 55 N CA 1.566 54.663 53.050 0.079 0.000 0.863 55 N CB -0.614 37.976 38.487 0.171 0.000 0.983 55 N HN 0.334 nan 8.380 nan 0.000 0.429 56 V N 0.416 120.370 119.914 0.067 0.000 2.407 56 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 56 V C 2.324 178.452 176.094 0.057 0.000 1.055 56 V CA 1.136 63.487 62.300 0.086 0.000 1.049 56 V CB -0.451 31.441 31.823 0.115 0.000 0.662 56 V HN 0.082 nan 8.190 nan 0.000 0.455 57 V N -0.580 119.327 119.914 -0.013 0.000 2.453 57 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 57 V C 2.395 178.462 176.094 -0.045 0.000 1.048 57 V CA 1.539 63.826 62.300 -0.021 0.000 1.049 57 V CB -0.099 31.672 31.823 -0.086 0.000 0.672 57 V HN 0.401 nan 8.190 nan 0.000 0.457 58 V N 0.028 119.830 119.914 -0.188 0.000 2.343 58 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 58 V C 2.574 178.688 176.094 0.033 0.000 1.051 58 V CA 2.646 64.885 62.300 -0.101 0.000 1.036 58 V CB -0.941 30.776 31.823 -0.176 0.000 0.654 58 V HN 0.617 nan 8.190 nan 0.000 0.451 59 T N 0.466 115.029 114.554 0.015 0.000 2.708 59 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 59 T C 2.054 176.777 174.700 0.038 0.000 1.037 59 T CA 1.704 63.798 62.100 -0.010 0.000 1.146 59 T CB -0.452 68.455 68.868 0.064 0.000 0.865 59 T HN 0.568 nan 8.240 nan 0.000 0.435 60 A N 1.154 124.090 122.820 0.194 0.000 1.930 60 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 60 A C 1.996 179.729 177.584 0.248 0.000 1.175 60 A CA 2.176 54.399 52.037 0.310 0.000 0.627 60 A CB -0.937 18.232 19.000 0.281 0.000 0.815 60 A HN 0.697 nan 8.150 nan 0.000 0.443 61 H N 0.445 119.566 119.070 0.086 0.000 2.289 61 H HA -0.074 4.482 4.556 -0.000 0.000 0.296 61 H C 2.103 177.438 175.328 0.012 0.000 1.091 61 H CA 2.430 58.514 56.048 0.060 0.000 1.274 61 H CB -0.447 29.337 29.762 0.037 0.000 1.364 61 H HN 0.355 nan 8.280 nan 0.000 0.490 62 A N 0.032 122.658 122.820 -0.323 0.000 1.855 62 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 62 A C 2.290 179.657 177.584 -0.361 0.000 1.191 62 A CA 1.465 53.158 52.037 -0.574 0.000 0.613 62 A CB -1.151 17.436 19.000 -0.688 0.000 0.829 62 A HN 0.440 nan 8.150 nan 0.000 0.442 63 F N 0.278 120.227 119.950 -0.000 0.000 2.091 63 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 63 F C 2.559 178.375 175.800 0.027 0.000 1.103 63 F CA 1.399 59.489 58.000 0.149 0.000 1.228 63 F CB -1.113 37.980 39.000 0.154 0.000 0.984 63 F HN 0.027 nan 8.300 nan 0.000 0.477 64 V N -0.379 119.701 119.914 0.278 0.000 2.287 64 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 64 V C 2.516 178.641 176.094 0.052 0.000 1.053 64 V CA 1.658 64.091 62.300 0.221 0.000 1.027 64 V CB -0.612 31.369 31.823 0.262 0.000 0.646 64 V HN 0.241 nan 8.190 nan 0.000 0.447 65 M N -0.905 118.644 119.600 -0.084 0.000 2.117 65 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 65 M C 2.154 178.344 176.300 -0.185 0.000 1.065 65 M CA 1.914 57.131 55.300 -0.139 0.000 1.114 65 M CB -0.943 31.494 32.600 -0.273 0.000 1.361 65 M HN 0.298 nan 8.290 nan 0.000 0.408 66 I N -1.353 119.037 120.570 -0.302 0.000 2.162 66 I HA -0.245 3.925 4.170 -0.000 0.000 0.238 66 I C 1.965 177.786 176.117 -0.493 0.000 1.076 66 I CA 1.261 62.266 61.300 -0.492 0.000 1.353 66 I CB -0.330 37.204 38.000 -0.777 0.000 1.063 66 I HN 0.057 nan 8.210 nan 0.000 0.408 67 F N -0.708 119.053 119.950 -0.315 0.000 2.569 67 F HA 0.039 4.566 4.527 -0.000 0.000 0.295 67 F C 1.676 177.226 175.800 -0.417 0.000 1.115 67 F CA 0.755 58.474 58.000 -0.468 0.000 1.450 67 F CB 0.007 38.501 39.000 -0.843 0.000 1.107 67 F HN -0.062 nan 8.300 nan 0.000 0.563 68 F N -2.484 117.581 119.950 0.193 0.000 2.680 68 F HA 0.185 4.712 4.527 -0.000 0.000 0.290 68 F C 1.965 177.898 175.800 0.223 0.000 1.114 68 F CA 0.145 58.261 58.000 0.193 0.000 1.333 68 F CB -0.345 38.464 39.000 -0.319 0.000 1.091 68 F HN -0.129 nan 8.300 nan 0.000 0.606 69 M N -0.407 119.333 119.600 0.233 0.000 2.751 69 M HA 0.120 4.600 4.480 -0.000 0.000 0.252 69 M C 1.877 178.276 176.300 0.165 0.000 1.264 69 M CA 1.244 56.664 55.300 0.201 0.000 1.237 69 M CB -0.378 32.292 32.600 0.116 0.000 1.242 69 M HN -0.061 nan 8.290 nan 0.000 0.525 70 V N 1.357 121.305 119.914 0.057 0.000 2.283 70 V HA -0.239 3.881 4.120 -0.000 0.000 0.243 70 V C 2.534 178.661 176.094 0.054 0.000 1.039 70 V CA 1.716 64.039 62.300 0.038 0.000 1.016 70 V CB -0.699 31.085 31.823 -0.064 0.000 0.650 70 V HN 0.457 nan 8.190 nan 0.000 0.449 71 M N -0.159 119.438 119.600 -0.005 0.000 2.086 71 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 71 M C -0.099 176.261 176.300 0.100 0.000 1.067 71 M CA 2.211 57.518 55.300 0.011 0.000 1.116 71 M CB -1.652 30.925 32.600 -0.037 0.000 1.348 71 M HN 0.281 nan 8.290 nan 0.000 0.407 72 P HA -0.122 nan 4.420 nan 0.000 0.215 72 P C 1.469 178.923 177.300 0.257 0.000 1.157 72 P CA 1.413 64.715 63.100 0.336 0.000 0.868 72 P CB -0.181 31.901 31.700 0.636 0.000 0.788 73 I N -1.948 118.797 120.570 0.292 0.000 2.127 73 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 73 I C 2.545 178.855 176.117 0.322 0.000 1.075 73 I CA 1.773 63.244 61.300 0.285 0.000 1.334 73 I CB -0.467 37.719 38.000 0.309 0.000 1.040 73 I HN -0.094 nan 8.210 nan 0.000 0.405 74 M N -0.359 119.415 119.600 0.289 0.000 2.156 74 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 74 M C 2.133 178.567 176.300 0.224 0.000 1.067 74 M CA 1.949 57.447 55.300 0.332 0.000 1.131 74 M CB 0.006 32.705 32.600 0.164 0.000 1.368 74 M HN 0.163 nan 8.290 nan 0.000 0.416 75 I N -1.681 118.914 120.570 0.042 0.000 2.729 75 I HA 0.041 4.211 4.170 -0.000 0.000 0.256 75 I C 2.447 178.491 176.117 -0.122 0.000 1.115 75 I CA 0.830 62.056 61.300 -0.124 0.000 1.446 75 I CB -0.636 37.278 38.000 -0.143 0.000 1.176 75 I HN 0.253 nan 8.210 nan 0.000 0.446 76 G N 0.394 108.968 108.800 -0.377 0.000 2.403 76 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.216 76 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.216 76 G C 1.569 176.178 174.900 -0.485 0.000 1.154 76 G CA 0.850 45.284 45.100 -1.110 0.000 0.784 76 G HN 0.468 nan 8.290 nan 0.000 0.538 77 G N 0.413 109.143 108.800 -0.118 0.000 2.624 77 G HA2 0.074 4.034 3.960 -0.000 0.000 0.216 77 G HA3 0.074 4.034 3.960 -0.000 0.000 0.216 77 G C 1.506 176.395 174.900 -0.019 0.000 1.274 77 G CA 0.395 45.504 45.100 0.014 0.000 0.856 77 G HN 0.268 nan 8.290 nan 0.000 0.555 78 F N 1.845 121.873 119.950 0.129 0.000 2.126 78 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 78 F C 2.946 178.871 175.800 0.208 0.000 1.096 78 F CA 1.080 59.128 58.000 0.080 0.000 1.255 78 F CB -0.438 38.556 39.000 -0.010 0.000 0.997 78 F HN 0.229 nan 8.300 nan 0.000 0.479 79 G N -0.044 109.004 108.800 0.414 0.000 2.459 79 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 79 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 79 G C 1.668 176.878 174.900 0.518 0.000 1.183 79 G CA 1.051 46.309 45.100 0.263 0.000 0.776 79 G HN 0.244 nan 8.290 nan 0.000 0.552 80 N N -0.237 118.732 118.700 0.448 0.000 2.120 80 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 80 N C 1.947 177.603 175.510 0.243 0.000 1.024 80 N CA 0.927 54.142 53.050 0.275 0.000 0.852 80 N CB -0.253 38.293 38.487 0.098 0.000 1.003 80 N HN 0.571 nan 8.380 nan 0.000 0.424 81 W N 1.420 122.713 121.300 -0.011 0.000 2.408 81 W HA 0.059 4.719 4.660 -0.000 0.000 0.311 81 W C 2.209 178.750 176.519 0.037 0.000 1.190 81 W CA 0.505 57.760 57.345 -0.151 0.000 1.321 81 W CB -0.268 28.790 29.460 -0.670 0.000 1.143 81 W HN -0.012 nan 8.180 nan 0.000 0.501 82 L N -1.282 120.130 121.223 0.315 0.000 2.127 82 L HA -0.136 4.204 4.340 -0.000 0.000 0.203 82 L C 2.098 179.110 176.870 0.237 0.000 1.080 82 L CA 0.429 55.368 54.840 0.164 0.000 0.768 82 L CB -1.282 40.678 42.059 -0.165 0.000 0.924 82 L HN -0.177 nan 8.230 nan 0.000 0.444 83 V N 0.656 120.751 119.914 0.301 0.000 2.255 83 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 83 V C -0.137 175.991 176.094 0.057 0.000 1.051 83 V CA 2.154 64.571 62.300 0.196 0.000 1.018 83 V CB -1.597 30.357 31.823 0.218 0.000 0.641 83 V HN 0.318 nan 8.190 nan 0.000 0.445 84 P HA -0.144 nan 4.420 nan 0.000 0.215 84 P C 1.945 179.182 177.300 -0.105 0.000 1.153 84 P CA 1.463 64.425 63.100 -0.229 0.000 0.853 84 P CB -0.089 31.184 31.700 -0.713 0.000 0.788 85 L N -1.954 119.327 121.223 0.097 0.000 2.042 85 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 85 L C 2.465 179.411 176.870 0.127 0.000 1.076 85 L CA 1.617 56.622 54.840 0.276 0.000 0.749 85 L CB -0.824 41.452 42.059 0.361 0.000 0.893 85 L HN 0.002 nan 8.230 nan 0.000 0.432 86 M N -0.324 119.346 119.600 0.116 0.000 2.476 86 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 86 M C 1.644 177.962 176.300 0.029 0.000 1.079 86 M CA 1.256 56.639 55.300 0.139 0.000 1.104 86 M CB 0.033 32.768 32.600 0.226 0.000 1.409 86 M HN 0.344 nan 8.290 nan 0.000 0.467 87 I N -4.302 116.213 120.570 -0.092 0.000 3.974 87 I HA 0.475 4.645 4.170 -0.000 0.000 0.334 87 I C 0.821 176.726 176.117 -0.354 0.000 1.437 87 I CA -0.161 61.041 61.300 -0.162 0.000 1.113 87 I CB -0.186 37.729 38.000 -0.141 0.000 1.063 87 I HN 0.258 nan 8.210 nan 0.000 0.400 88 G N 2.060 110.456 108.800 -0.674 0.000 2.273 88 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.280 88 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.280 88 G C 0.210 174.541 174.900 -0.948 0.000 1.047 88 G CA 0.216 44.348 45.100 -1.614 0.000 0.869 88 G HN 0.944 nan 8.290 nan 0.000 0.502 89 A N 0.014 122.527 122.820 -0.511 0.000 2.306 89 A HA 0.907 5.227 4.320 -0.000 0.000 0.330 89 A C -0.307 177.226 177.584 -0.086 0.000 1.146 89 A CA -0.996 50.895 52.037 -0.244 0.000 0.827 89 A CB 1.343 20.204 19.000 -0.232 0.000 1.178 89 A HN 0.105 nan 8.150 nan 0.000 0.490 90 P HA 0.031 nan 4.420 nan 0.000 0.227 90 P C 0.034 177.332 177.300 -0.003 0.000 1.161 90 P CA 1.071 64.209 63.100 0.064 0.000 0.788 90 P CB 0.476 32.204 31.700 0.046 0.000 0.822 91 D N -2.754 117.559 120.400 -0.145 0.000 3.435 91 D HA 0.143 4.783 4.640 -0.000 0.000 0.352 91 D C -0.584 175.531 176.300 -0.308 0.000 1.460 91 D CA -0.458 53.401 54.000 -0.235 0.000 0.935 91 D CB 0.463 41.221 40.800 -0.069 0.000 1.468 91 D HN -0.334 nan 8.370 nan 0.000 0.573 92 M N 1.066 120.497 119.600 -0.282 0.000 2.202 92 M HA 0.313 4.793 4.480 -0.000 0.000 0.316 92 M C 1.303 177.407 176.300 -0.326 0.000 1.138 92 M CA 0.049 55.155 55.300 -0.323 0.000 1.151 92 M CB 0.481 32.881 32.600 -0.333 0.000 1.422 92 M HN 0.607 nan 8.290 nan 0.000 0.471 93 A N 1.494 124.030 122.820 -0.474 0.000 1.908 93 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 93 A C 0.498 177.674 177.584 -0.680 0.000 1.181 93 A CA 1.660 53.270 52.037 -0.712 0.000 0.627 93 A CB -0.326 17.978 19.000 -1.161 0.000 0.818 93 A HN 0.580 nan 8.150 nan 0.000 0.445 94 F N -1.033 118.853 119.950 -0.107 0.000 2.449 94 F HA 0.380 4.907 4.527 -0.000 0.000 0.344 94 F C -2.106 173.646 175.800 -0.080 0.000 1.180 94 F CA -2.867 55.086 58.000 -0.079 0.000 1.209 94 F CB 1.048 40.006 39.000 -0.070 0.000 1.440 94 F HN 0.031 nan 8.300 nan 0.000 0.526 95 P HA -0.103 nan 4.420 nan 0.000 0.223 95 P C 1.780 179.101 177.300 0.035 0.000 1.151 95 P CA 1.119 64.221 63.100 0.004 0.000 0.787 95 P CB 0.379 32.073 31.700 -0.011 0.000 0.788 96 R N -0.711 119.827 120.500 0.064 0.000 2.064 96 R HA 0.112 4.452 4.340 -0.000 0.000 0.221 96 R C 2.317 178.658 176.300 0.067 0.000 1.136 96 R CA 0.737 56.870 56.100 0.055 0.000 0.980 96 R CB -0.771 29.549 30.300 0.035 0.000 0.876 96 R HN 0.004 nan 8.270 nan 0.000 0.437 97 M N 1.344 120.984 119.600 0.066 0.000 2.089 97 M HA -0.285 4.195 4.480 -0.000 0.000 0.257 97 M C 1.764 178.114 176.300 0.083 0.000 1.071 97 M CA 2.274 57.608 55.300 0.055 0.000 1.096 97 M CB -0.388 32.227 32.600 0.025 0.000 1.330 97 M HN 0.144 nan 8.290 nan 0.000 0.403 98 N N 0.748 119.498 118.700 0.083 0.000 2.132 98 N HA -0.256 4.484 4.740 -0.000 0.000 0.191 98 N C 1.301 176.889 175.510 0.129 0.000 1.015 98 N CA 2.109 55.203 53.050 0.074 0.000 0.864 98 N CB -0.490 37.999 38.487 0.003 0.000 1.006 98 N HN 0.486 nan 8.380 nan 0.000 0.430 99 N N -0.349 118.427 118.700 0.127 0.000 2.244 99 N HA -0.048 4.692 4.740 -0.000 0.000 0.183 99 N C 1.703 177.372 175.510 0.264 0.000 1.016 99 N CA 0.792 53.962 53.050 0.199 0.000 0.866 99 N CB -0.187 38.440 38.487 0.233 0.000 0.980 99 N HN 0.365 nan 8.380 nan 0.000 0.430 100 M N -0.605 119.109 119.600 0.189 0.000 2.132 100 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 100 M C 1.755 178.123 176.300 0.115 0.000 1.065 100 M CA 1.069 56.471 55.300 0.169 0.000 1.122 100 M CB -0.015 32.645 32.600 0.100 0.000 1.365 100 M HN 0.060 nan 8.290 nan 0.000 0.411 101 S N 0.284 116.055 115.700 0.118 0.000 2.383 101 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 101 S C 1.473 176.100 174.600 0.045 0.000 1.030 101 S CA 1.440 59.716 58.200 0.126 0.000 1.002 101 S CB -0.525 62.802 63.200 0.212 0.000 0.829 101 S HN 0.589 nan 8.310 nan 0.000 0.467 102 F N 0.660 120.516 119.950 -0.156 0.000 2.113 102 F HA -0.029 4.498 4.527 -0.000 0.000 0.297 102 F C 1.616 177.047 175.800 -0.614 0.000 1.103 102 F CA 1.074 58.669 58.000 -0.677 0.000 1.248 102 F CB -0.511 37.900 39.000 -0.981 0.000 0.999 102 F HN 0.211 nan 8.300 nan 0.000 0.475 103 W N 0.511 121.646 121.300 -0.276 0.000 2.595 103 W HA 0.005 4.665 4.660 -0.000 0.000 0.257 103 W C 1.974 178.325 176.519 -0.281 0.000 1.267 103 W CA 0.413 57.590 57.345 -0.281 0.000 1.300 103 W CB -0.416 29.042 29.460 -0.003 0.000 1.120 103 W HN 0.021 nan 8.180 nan 0.000 0.618 104 L N -0.156 121.012 121.223 -0.093 0.000 2.362 104 L HA -0.161 4.179 4.340 -0.000 0.000 0.219 104 L C 1.964 178.765 176.870 -0.116 0.000 1.134 104 L CA 0.797 55.609 54.840 -0.047 0.000 0.807 104 L CB -0.414 41.647 42.059 0.002 0.000 0.927 104 L HN 0.102 nan 8.230 nan 0.000 0.447 105 L N -0.776 120.216 121.223 -0.384 0.000 2.127 105 L HA -0.030 4.310 4.340 -0.000 0.000 0.203 105 L C -0.270 176.498 176.870 -0.170 0.000 1.080 105 L CA 0.680 55.297 54.840 -0.371 0.000 0.768 105 L CB -1.552 39.973 42.059 -0.890 0.000 0.924 105 L HN 0.152 nan 8.230 nan 0.000 0.444 106 P HA -0.090 nan 4.420 nan 0.000 0.215 106 P C -1.395 175.979 177.300 0.122 0.000 1.153 106 P CA 1.404 64.605 63.100 0.169 0.000 0.853 106 P CB -0.883 30.912 31.700 0.159 0.000 0.788 107 P HA -0.162 nan 4.420 nan 0.000 0.215 107 P C 1.908 179.269 177.300 0.101 0.000 1.153 107 P CA 1.720 64.866 63.100 0.075 0.000 0.853 107 P CB -0.456 31.279 31.700 0.059 0.000 0.788 108 S N -1.833 113.940 115.700 0.123 0.000 2.356 108 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 108 S C 1.797 176.510 174.600 0.188 0.000 1.032 108 S CA 0.941 59.262 58.200 0.202 0.000 1.005 108 S CB -1.116 62.278 63.200 0.323 0.000 0.867 108 S HN 0.056 nan 8.310 nan 0.000 0.449 109 F N 0.887 120.672 119.950 -0.274 0.000 2.134 109 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 109 F C 2.045 177.761 175.800 -0.140 0.000 1.097 109 F CA 0.924 58.584 58.000 -0.568 0.000 1.264 109 F CB -0.091 38.542 39.000 -0.612 0.000 1.001 109 F HN 0.300 nan 8.300 nan 0.000 0.479 110 L N 0.739 122.044 121.223 0.135 0.000 2.083 110 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 110 L C 1.930 178.861 176.870 0.101 0.000 1.083 110 L CA 1.646 56.523 54.840 0.061 0.000 0.752 110 L CB -0.756 41.323 42.059 0.033 0.000 0.899 110 L HN 0.143 nan 8.230 nan 0.000 0.433 111 L N -1.122 120.177 121.223 0.126 0.000 2.046 111 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 111 L C 2.546 179.506 176.870 0.151 0.000 1.077 111 L CA 1.544 56.464 54.840 0.134 0.000 0.747 111 L CB -0.636 41.512 42.059 0.148 0.000 0.896 111 L HN 0.379 nan 8.230 nan 0.000 0.432 112 L N -0.287 121.056 121.223 0.200 0.000 2.046 112 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 112 L C 2.476 179.488 176.870 0.235 0.000 1.077 112 L CA 1.351 56.331 54.840 0.233 0.000 0.747 112 L CB -0.047 42.241 42.059 0.382 0.000 0.896 112 L HN 0.222 nan 8.230 nan 0.000 0.432 113 L N -0.205 121.153 121.223 0.223 0.000 2.056 113 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 113 L C 2.899 179.837 176.870 0.113 0.000 1.078 113 L CA 1.018 55.948 54.840 0.150 0.000 0.749 113 L CB -0.871 41.231 42.059 0.071 0.000 0.901 113 L HN 0.336 nan 8.230 nan 0.000 0.433 114 A N 0.329 123.210 122.820 0.102 0.000 1.908 114 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 114 A C 2.562 180.205 177.584 0.099 0.000 1.181 114 A CA 2.202 54.292 52.037 0.089 0.000 0.627 114 A CB -0.762 18.288 19.000 0.085 0.000 0.818 114 A HN 0.526 nan 8.150 nan 0.000 0.445 115 S N 0.411 116.179 115.700 0.113 0.000 2.402 115 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 115 S C 2.068 176.738 174.600 0.117 0.000 1.021 115 S CA 1.792 60.057 58.200 0.110 0.000 0.974 115 S CB -0.843 62.417 63.200 0.100 0.000 0.800 115 S HN 0.968 nan 8.310 nan 0.000 0.484 116 S N 0.849 116.626 115.700 0.128 0.000 2.453 116 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 116 S C 1.846 176.505 174.600 0.100 0.000 1.005 116 S CA 0.653 58.927 58.200 0.124 0.000 0.949 116 S CB -0.411 62.872 63.200 0.138 0.000 0.774 116 S HN 0.399 nan 8.310 nan 0.000 0.510 117 M N 1.912 121.565 119.600 0.089 0.000 2.394 117 M HA 0.276 4.756 4.480 -0.000 0.000 0.266 117 M C 1.032 177.371 176.300 0.065 0.000 1.098 117 M CA 0.382 55.724 55.300 0.071 0.000 1.149 117 M CB -0.680 31.957 32.600 0.062 0.000 1.369 117 M HN 0.402 nan 8.290 nan 0.000 0.450 118 V N -0.479 119.477 119.914 0.072 0.000 2.834 118 V HA 0.325 4.445 4.120 -0.000 0.000 0.301 118 V C 0.817 176.952 176.094 0.069 0.000 1.066 118 V CA -0.906 61.433 62.300 0.066 0.000 1.052 118 V CB 0.915 32.778 31.823 0.068 0.000 1.021 118 V HN 0.549 nan 8.190 nan 0.000 0.480 119 E N 2.565 122.800 120.200 0.057 0.000 3.333 119 E HA -0.328 4.022 4.350 -0.000 0.000 0.342 119 E C 0.843 177.477 176.600 0.056 0.000 1.501 119 E CA 1.980 58.412 56.400 0.053 0.000 1.770 119 E CB -1.616 28.120 29.700 0.061 0.000 1.817 119 E HN 1.574 nan 8.360 nan 0.000 0.485 120 A N 1.430 124.286 122.820 0.061 0.000 2.574 120 A HA 0.526 4.846 4.320 -0.000 0.000 0.283 120 A C 0.844 178.492 177.584 0.106 0.000 1.270 120 A CA 1.472 53.547 52.037 0.064 0.000 0.945 120 A CB -0.127 18.890 19.000 0.029 0.000 1.127 120 A HN 1.405 nan 8.150 nan 0.000 0.522 121 G N -0.981 107.892 108.800 0.122 0.000 2.828 121 G HA2 0.298 4.258 3.960 -0.000 0.000 0.463 121 G HA3 0.298 4.258 3.960 -0.000 0.000 0.463 121 G C 0.110 175.134 174.900 0.207 0.000 1.394 121 G CA -0.314 44.874 45.100 0.147 0.000 0.862 121 G HN 1.769 nan 8.290 nan 0.000 0.540 122 A N 0.286 123.207 122.820 0.168 0.000 2.444 122 A HA 0.724 5.044 4.320 -0.000 0.000 0.332 122 A C 0.896 178.524 177.584 0.074 0.000 1.430 122 A CA 0.826 52.914 52.037 0.085 0.000 0.975 122 A CB 0.289 19.308 19.000 0.033 0.000 1.147 122 A HN 2.303 nan 8.150 nan 0.000 0.524 123 G N 1.584 110.499 108.800 0.191 0.000 4.126 123 G HA2 0.368 4.328 3.960 -0.000 0.000 0.282 123 G HA3 0.368 4.328 3.960 -0.000 0.000 0.282 123 G C 0.682 175.616 174.900 0.056 0.000 1.221 123 G CA 0.505 45.710 45.100 0.176 0.000 1.527 123 G HN 0.785 nan 8.290 nan 0.000 0.612 124 T N -2.671 111.830 114.554 -0.089 0.000 3.010 124 T HA 0.486 4.836 4.350 -0.000 0.000 0.257 124 T C 1.213 175.831 174.700 -0.136 0.000 1.020 124 T CA 0.482 62.477 62.100 -0.174 0.000 0.938 124 T CB 0.591 69.290 68.868 -0.282 0.000 1.049 124 T HN 1.538 nan 8.240 nan 0.000 0.522 125 G N 1.858 110.607 108.800 -0.084 0.000 2.785 125 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.685 125 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.685 125 G C 0.325 175.106 174.900 -0.199 0.000 1.480 125 G CA -0.201 44.831 45.100 -0.113 0.000 0.915 125 G HN 0.670 nan 8.290 nan 0.000 0.576 126 W N 0.594 121.610 121.300 -0.472 0.000 2.825 126 W HA 0.005 4.665 4.660 -0.000 0.000 0.243 126 W C 1.462 177.709 176.519 -0.455 0.000 1.293 126 W CA 1.815 58.697 57.345 -0.771 0.000 1.403 126 W CB -1.464 27.403 29.460 -0.988 0.000 1.134 126 W HN 0.965 nan 8.180 nan 0.000 0.666 127 T N -1.159 112.695 114.554 -1.167 0.000 3.067 127 T HA 0.063 4.413 4.350 -0.000 0.000 0.257 127 T C 1.204 175.352 174.700 -0.919 0.000 1.105 127 T CA 0.685 61.728 62.100 -1.761 0.000 1.104 127 T CB -0.720 67.133 68.868 -1.691 0.000 0.925 127 T HN 0.104 nan 8.240 nan 0.000 0.498 128 V N 0.630 120.245 119.914 -0.498 0.000 4.766 128 V HA -0.244 3.876 4.120 -0.000 0.000 0.260 128 V C 0.217 176.088 176.094 -0.372 0.000 0.542 128 V CA 0.371 62.495 62.300 -0.293 0.000 0.766 128 V CB -2.950 28.787 31.823 -0.144 0.000 0.697 128 V HN 0.710 nan 8.190 nan 0.000 1.171 129 Y N 1.770 121.793 120.300 -0.461 0.000 2.620 129 Y HA 0.213 4.763 4.550 -0.000 0.000 0.330 129 Y C -0.793 174.840 175.900 -0.445 0.000 1.186 129 Y CA -1.779 56.033 58.100 -0.480 0.000 1.467 129 Y CB 0.909 39.243 38.460 -0.209 0.000 1.262 129 Y HN 0.270 nan 8.280 nan 0.000 0.550 130 P HA 0.111 nan 4.420 nan 0.000 0.276 130 P C -2.376 174.895 177.300 -0.048 0.000 1.252 130 P CA -1.714 61.275 63.100 -0.186 0.000 0.802 130 P CB 0.738 32.329 31.700 -0.181 0.000 1.035 131 P HA 0.015 nan 4.420 nan 0.000 0.231 131 P C 1.572 178.902 177.300 0.049 0.000 1.168 131 P CA 0.151 63.274 63.100 0.039 0.000 0.779 131 P CB -0.136 31.598 31.700 0.057 0.000 0.844 132 L N 0.681 121.939 121.223 0.059 0.000 2.043 132 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 132 L C 2.011 178.960 176.870 0.131 0.000 1.075 132 L CA 2.240 57.145 54.840 0.109 0.000 0.752 132 L CB -1.376 40.743 42.059 0.100 0.000 0.891 132 L HN -0.047 nan 8.230 nan 0.000 0.432 133 A N -0.951 121.852 122.820 -0.028 0.000 2.238 133 A HA 0.361 4.681 4.320 -0.000 0.000 0.208 133 A C 1.433 179.001 177.584 -0.028 0.000 1.177 133 A CA 0.416 52.387 52.037 -0.111 0.000 0.804 133 A CB -1.339 17.520 19.000 -0.236 0.000 0.823 133 A HN 0.492 nan 8.150 nan 0.000 0.482 134 G N 0.163 108.975 108.800 0.020 0.000 2.683 134 G HA2 0.202 4.162 3.960 -0.000 0.000 0.260 134 G HA3 0.202 4.162 3.960 -0.000 0.000 0.260 134 G C 0.581 175.524 174.900 0.072 0.000 1.238 134 G CA 0.179 45.308 45.100 0.048 0.000 0.934 134 G HN 0.513 nan 8.290 nan 0.000 0.534 135 N N -0.908 117.827 118.700 0.058 0.000 2.515 135 N HA -0.026 4.714 4.740 -0.000 0.000 0.185 135 N C 1.535 177.072 175.510 0.046 0.000 1.109 135 N CA 0.416 53.498 53.050 0.053 0.000 0.903 135 N CB 0.040 38.552 38.487 0.041 0.000 0.969 135 N HN 0.301 nan 8.380 nan 0.000 0.450 136 L N -0.170 121.079 121.223 0.044 0.000 2.189 136 L HA 0.438 4.778 4.340 -0.000 0.000 0.199 136 L C 2.060 178.944 176.870 0.024 0.000 1.074 136 L CA 1.134 55.993 54.840 0.031 0.000 0.783 136 L CB -0.882 41.196 42.059 0.031 0.000 0.955 136 L HN 0.158 nan 8.230 nan 0.000 0.460 137 A N -2.180 120.666 122.820 0.044 0.000 2.123 137 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 137 A C 0.276 177.837 177.584 -0.038 0.000 1.152 137 A CA 0.643 52.697 52.037 0.029 0.000 0.728 137 A CB -0.621 18.428 19.000 0.081 0.000 0.814 137 A HN 0.612 nan 8.150 nan 0.000 0.464 138 H N -0.810 118.269 119.070 0.015 0.000 2.439 138 H HA 0.554 5.110 4.556 -0.000 0.000 0.228 138 H C 0.009 175.347 175.328 0.017 0.000 1.423 138 H CA -0.032 56.026 56.048 0.017 0.000 1.386 138 H CB 0.541 30.309 29.762 0.010 0.000 1.641 138 H HN 0.406 nan 8.280 nan 0.000 0.508 139 A N 1.229 124.072 122.820 0.039 0.000 2.371 139 A HA 0.665 4.985 4.320 -0.000 0.000 0.257 139 A C 0.960 178.574 177.584 0.050 0.000 1.089 139 A CA 0.564 52.626 52.037 0.042 0.000 0.794 139 A CB -0.015 18.996 19.000 0.019 0.000 1.029 139 A HN 0.875 nan 8.150 nan 0.000 0.488 140 G N -0.837 107.995 108.800 0.053 0.000 2.566 140 G HA2 0.350 4.310 3.960 -0.000 0.000 0.599 140 G HA3 0.350 4.310 3.960 -0.000 0.000 0.599 140 G C 0.640 175.582 174.900 0.070 0.000 1.292 140 G CA 0.094 45.228 45.100 0.058 0.000 0.922 140 G HN 1.970 nan 8.290 nan 0.000 0.514 141 A N -0.520 122.345 122.820 0.074 0.000 2.123 141 A HA 0.391 4.711 4.320 -0.000 0.000 0.214 141 A C 2.578 180.212 177.584 0.083 0.000 1.152 141 A CA 2.263 54.350 52.037 0.084 0.000 0.728 141 A CB -0.495 18.559 19.000 0.091 0.000 0.814 141 A HN 1.505 nan 8.150 nan 0.000 0.464 142 S N -0.034 115.721 115.700 0.092 0.000 2.353 142 S HA -0.166 4.304 4.470 -0.000 0.000 0.222 142 S C 1.859 176.494 174.600 0.058 0.000 1.035 142 S CA 1.628 59.884 58.200 0.094 0.000 1.025 142 S CB -0.554 62.723 63.200 0.128 0.000 0.902 142 S HN 0.354 nan 8.310 nan 0.000 0.440 143 V N 2.670 122.608 119.914 0.040 0.000 2.407 143 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 143 V C 2.048 178.088 176.094 -0.090 0.000 1.055 143 V CA 1.748 64.025 62.300 -0.038 0.000 1.049 143 V CB -0.685 31.102 31.823 -0.060 0.000 0.662 143 V HN 0.424 nan 8.190 nan 0.000 0.455 144 D N -0.065 120.293 120.400 -0.069 0.000 2.178 144 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 144 D C 2.144 178.370 176.300 -0.124 0.000 0.974 144 D CA 1.050 54.946 54.000 -0.175 0.000 0.841 144 D CB -0.055 40.710 40.800 -0.058 0.000 0.953 144 D HN 0.360 nan 8.370 nan 0.000 0.478 145 L N 0.670 121.927 121.223 0.057 0.000 2.046 145 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 145 L C 2.569 179.469 176.870 0.050 0.000 1.077 145 L CA 1.054 55.983 54.840 0.148 0.000 0.747 145 L CB -0.599 41.542 42.059 0.136 0.000 0.896 145 L HN -0.014 nan 8.230 nan 0.000 0.432 146 T N 0.154 114.678 114.554 -0.050 0.000 2.708 146 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 146 T C 1.920 176.453 174.700 -0.279 0.000 1.037 146 T CA 1.416 63.414 62.100 -0.170 0.000 1.146 146 T CB -0.206 68.570 68.868 -0.153 0.000 0.865 146 T HN 0.180 nan 8.240 nan 0.000 0.435 147 I N 0.296 120.687 120.570 -0.299 0.000 2.163 147 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 147 I C 2.089 178.009 176.117 -0.328 0.000 1.085 147 I CA 1.382 62.438 61.300 -0.407 0.000 1.347 147 I CB -0.459 37.249 38.000 -0.486 0.000 1.044 147 I HN 0.146 nan 8.210 nan 0.000 0.408 148 F N 0.662 120.583 119.950 -0.047 0.000 2.120 148 F HA -0.282 4.245 4.527 -0.000 0.000 0.300 148 F C 2.988 178.789 175.800 0.002 0.000 1.095 148 F CA 1.705 59.737 58.000 0.054 0.000 1.249 148 F CB -1.349 37.688 39.000 0.062 0.000 0.995 148 F HN 0.044 nan 8.300 nan 0.000 0.480 149 S N 0.168 115.934 115.700 0.110 0.000 2.359 149 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 149 S C 2.181 176.722 174.600 -0.098 0.000 1.035 149 S CA 1.302 59.531 58.200 0.049 0.000 1.018 149 S CB -0.460 62.744 63.200 0.008 0.000 0.876 149 S HN 0.336 nan 8.310 nan 0.000 0.448 150 L N 0.088 121.118 121.223 -0.322 0.000 2.056 150 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 150 L C 2.459 179.167 176.870 -0.270 0.000 1.078 150 L CA 1.752 56.286 54.840 -0.510 0.000 0.749 150 L CB -0.833 40.850 42.059 -0.625 0.000 0.901 150 L HN 0.459 nan 8.230 nan 0.000 0.433 151 H N -0.139 118.856 119.070 -0.124 0.000 2.319 151 H HA -0.189 4.367 4.556 -0.000 0.000 0.297 151 H C 2.334 177.655 175.328 -0.011 0.000 1.097 151 H CA 1.480 57.506 56.048 -0.038 0.000 1.285 151 H CB 0.048 29.858 29.762 0.079 0.000 1.368 151 H HN 0.211 nan 8.280 nan 0.000 0.495 152 L N -0.237 121.078 121.223 0.153 0.000 2.093 152 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 152 L C 2.868 179.787 176.870 0.083 0.000 1.085 152 L CA 0.787 55.689 54.840 0.103 0.000 0.755 152 L CB -0.665 41.454 42.059 0.100 0.000 0.904 152 L HN 0.341 nan 8.230 nan 0.000 0.435 153 A N 0.838 123.694 122.820 0.061 0.000 1.933 153 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 153 A C 2.428 180.061 177.584 0.082 0.000 1.175 153 A CA 1.743 53.824 52.037 0.074 0.000 0.628 153 A CB -1.194 17.782 19.000 -0.040 0.000 0.814 153 A HN 0.433 nan 8.150 nan 0.000 0.444 154 G N -0.351 108.463 108.800 0.023 0.000 2.480 154 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 154 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 154 G C 1.535 176.479 174.900 0.074 0.000 1.200 154 G CA 1.433 46.556 45.100 0.040 0.000 0.782 154 G HN 0.338 nan 8.290 nan 0.000 0.554 155 V N 0.975 120.932 119.914 0.072 0.000 2.332 155 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 155 V C 3.095 179.234 176.094 0.076 0.000 1.055 155 V CA 2.344 64.682 62.300 0.063 0.000 1.038 155 V CB -0.529 31.322 31.823 0.047 0.000 0.651 155 V HN 0.538 nan 8.190 nan 0.000 0.450 156 S N -0.339 115.412 115.700 0.086 0.000 2.356 156 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 156 S C 2.204 176.885 174.600 0.135 0.000 1.032 156 S CA 2.244 60.505 58.200 0.103 0.000 1.005 156 S CB -0.353 62.904 63.200 0.094 0.000 0.867 156 S HN 0.579 nan 8.310 nan 0.000 0.449 157 S N 1.068 116.855 115.700 0.145 0.000 2.383 157 S HA 0.085 4.555 4.470 -0.000 0.000 0.227 157 S C 1.770 176.457 174.600 0.145 0.000 1.026 157 S CA 1.289 59.584 58.200 0.157 0.000 0.981 157 S CB -0.456 62.844 63.200 0.167 0.000 0.818 157 S HN 0.537 nan 8.310 nan 0.000 0.472 158 I N 1.318 121.961 120.570 0.122 0.000 2.226 158 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 158 I C 1.925 178.102 176.117 0.100 0.000 1.100 158 I CA 1.160 62.524 61.300 0.106 0.000 1.374 158 I CB -0.275 37.773 38.000 0.081 0.000 1.057 158 I HN 0.247 nan 8.210 nan 0.000 0.413 159 L N -0.047 121.230 121.223 0.090 0.000 2.156 159 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 159 L C 2.635 179.572 176.870 0.112 0.000 1.095 159 L CA 1.251 56.138 54.840 0.079 0.000 0.770 159 L CB -1.073 41.018 42.059 0.054 0.000 0.914 159 L HN 0.297 nan 8.230 nan 0.000 0.439 160 G N -0.165 108.720 108.800 0.142 0.000 2.422 160 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 160 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 160 G C 1.800 176.856 174.900 0.260 0.000 1.146 160 G CA 0.797 46.005 45.100 0.180 0.000 0.769 160 G HN 0.440 nan 8.290 nan 0.000 0.547 161 A N 0.956 123.909 122.820 0.223 0.000 1.877 161 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 161 A C 2.395 180.090 177.584 0.186 0.000 1.186 161 A CA 1.349 53.515 52.037 0.214 0.000 0.620 161 A CB -0.423 18.668 19.000 0.151 0.000 0.822 161 A HN 0.360 nan 8.150 nan 0.000 0.443 162 I N -0.112 120.548 120.570 0.150 0.000 2.208 162 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 162 I C 2.484 178.715 176.117 0.191 0.000 1.097 162 I CA 1.424 62.815 61.300 0.152 0.000 1.363 162 I CB -0.428 37.645 38.000 0.123 0.000 1.051 162 I HN 0.373 nan 8.210 nan 0.000 0.413 163 N N 0.923 119.724 118.700 0.169 0.000 2.084 163 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 163 N C 1.895 177.326 175.510 -0.131 0.000 1.030 163 N CA 1.683 54.765 53.050 0.054 0.000 0.849 163 N CB -0.263 38.190 38.487 -0.057 0.000 1.012 163 N HN 0.213 nan 8.380 nan 0.000 0.423 164 F N 1.008 120.951 119.950 -0.012 0.000 2.102 164 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 164 F C 2.330 178.079 175.800 -0.085 0.000 1.105 164 F CA 0.689 58.648 58.000 -0.069 0.000 1.239 164 F CB -0.231 38.726 39.000 -0.071 0.000 0.991 164 F HN 0.004 nan 8.300 nan 0.000 0.474 165 I N -0.597 120.057 120.570 0.141 0.000 2.179 165 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 165 I C 2.293 178.403 176.117 -0.011 0.000 1.088 165 I CA 1.632 62.961 61.300 0.048 0.000 1.357 165 I CB -0.811 37.224 38.000 0.058 0.000 1.051 165 I HN 0.103 nan 8.210 nan 0.000 0.409 166 T N -0.116 114.430 114.554 -0.013 0.000 2.674 166 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 166 T C 1.925 176.515 174.700 -0.183 0.000 1.039 166 T CA 2.071 64.119 62.100 -0.087 0.000 1.150 166 T CB -0.489 68.319 68.868 -0.100 0.000 0.864 166 T HN 0.361 nan 8.240 nan 0.000 0.427 167 T N 2.255 116.670 114.554 -0.232 0.000 2.653 167 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 167 T C 1.941 176.540 174.700 -0.168 0.000 1.035 167 T CA 1.294 63.252 62.100 -0.237 0.000 1.154 167 T CB -0.489 68.234 68.868 -0.241 0.000 0.862 167 T HN 0.339 nan 8.240 nan 0.000 0.441 168 I N 0.131 120.627 120.570 -0.123 0.000 2.546 168 I HA -0.062 4.108 4.170 -0.000 0.000 0.255 168 I C 1.957 177.967 176.117 -0.179 0.000 1.163 168 I CA 0.648 61.859 61.300 -0.149 0.000 1.457 168 I CB -0.152 37.755 38.000 -0.155 0.000 1.092 168 I HN 0.202 nan 8.210 nan 0.000 0.434 169 I N 0.400 120.880 120.570 -0.151 0.000 2.585 169 I HA -0.125 4.045 4.170 -0.000 0.000 0.254 169 I C 1.986 178.025 176.117 -0.130 0.000 1.129 169 I CA 1.322 62.534 61.300 -0.145 0.000 1.455 169 I CB -1.068 36.870 38.000 -0.103 0.000 1.111 169 I HN 0.257 nan 8.210 nan 0.000 0.433 170 N N 0.375 118.996 118.700 -0.131 0.000 2.356 170 N HA 0.080 4.820 4.740 -0.000 0.000 0.178 170 N C 1.105 176.535 175.510 -0.133 0.000 1.075 170 N CA 0.532 53.508 53.050 -0.122 0.000 0.889 170 N CB 0.276 38.686 38.487 -0.128 0.000 0.999 170 N HN 0.151 nan 8.380 nan 0.000 0.464 171 M N -0.033 119.474 119.600 -0.153 0.000 2.692 171 M HA 0.229 4.709 4.480 -0.000 0.000 0.372 171 M C -0.437 175.771 176.300 -0.153 0.000 1.192 171 M CA -0.254 54.953 55.300 -0.155 0.000 0.928 171 M CB 0.828 33.318 32.600 -0.183 0.000 1.366 171 M HN -0.172 nan 8.290 nan 0.000 0.517 172 K N 1.353 121.667 120.400 -0.143 0.000 2.138 172 K HA 0.372 4.692 4.320 -0.000 0.000 0.251 172 K C -2.353 174.174 176.600 -0.122 0.000 1.015 172 K CA -1.594 54.610 56.287 -0.138 0.000 0.917 172 K CB 0.012 32.434 32.500 -0.130 0.000 1.021 172 K HN -0.122 nan 8.250 nan 0.000 0.485 173 P HA -0.041 nan 4.420 nan 0.000 0.265 173 P C -2.052 175.194 177.300 -0.090 0.000 1.187 173 P CA -0.857 62.183 63.100 -0.101 0.000 0.766 173 P CB 0.048 31.692 31.700 -0.094 0.000 0.820 174 P HA -0.181 nan 4.420 nan 0.000 0.218 174 P C 0.898 178.156 177.300 -0.070 0.000 1.146 174 P CA 1.565 64.621 63.100 -0.075 0.000 0.813 174 P CB -0.269 31.388 31.700 -0.071 0.000 0.778 175 A N -1.298 121.475 122.820 -0.080 0.000 2.169 175 A HA 0.099 4.419 4.320 -0.000 0.000 0.212 175 A C 1.304 178.862 177.584 -0.043 0.000 1.153 175 A CA -0.037 51.961 52.037 -0.065 0.000 0.756 175 A CB -0.865 18.084 19.000 -0.085 0.000 0.813 175 A HN 0.204 nan 8.150 nan 0.000 0.471 176 M N 2.078 121.648 119.600 -0.050 0.000 2.105 176 M HA 0.314 4.794 4.480 -0.000 0.000 0.350 176 M C 0.432 176.708 176.300 -0.040 0.000 1.308 176 M CA -0.278 55.001 55.300 -0.035 0.000 1.108 176 M CB 0.684 33.256 32.600 -0.046 0.000 1.622 176 M HN 0.393 nan 8.290 nan 0.000 0.468 177 S N 3.457 119.151 115.700 -0.011 0.000 2.652 177 S HA 0.148 4.618 4.470 -0.000 0.000 0.267 177 S C 0.697 175.245 174.600 -0.088 0.000 1.201 177 S CA -0.360 57.814 58.200 -0.043 0.000 0.996 177 S CB 1.072 64.286 63.200 0.023 0.000 1.054 177 S HN 0.833 nan 8.310 nan 0.000 0.561 178 Q N -0.464 119.191 119.800 -0.242 0.000 2.167 178 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 178 Q C 0.784 176.801 176.000 0.029 0.000 0.970 178 Q CA 1.633 57.238 55.803 -0.331 0.000 0.855 178 Q CB -0.624 27.787 28.738 -0.545 0.000 0.911 178 Q HN 0.838 nan 8.270 nan 0.000 0.438 179 Y N -0.449 120.113 120.300 0.435 0.000 2.465 179 Y HA 0.143 4.693 4.550 -0.000 0.000 0.311 179 Y C 0.619 176.694 175.900 0.291 0.000 1.204 179 Y CA 0.268 58.702 58.100 0.558 0.000 1.272 179 Y CB -0.026 38.660 38.460 0.377 0.000 1.083 179 Y HN 0.128 nan 8.280 nan 0.000 0.508 180 Q N -0.378 119.585 119.800 0.271 0.000 2.135 180 Q HA 0.134 4.474 4.340 -0.000 0.000 0.222 180 Q C 0.184 176.275 176.000 0.152 0.000 0.808 180 Q CA -0.192 55.679 55.803 0.114 0.000 1.049 180 Q CB 0.853 29.622 28.738 0.052 0.000 1.168 180 Q HN 0.277 nan 8.270 nan 0.000 0.483 181 T N -2.192 112.532 114.554 0.283 0.000 2.902 181 T HA 0.605 4.955 4.350 -0.000 0.000 0.283 181 T C -2.596 172.395 174.700 0.485 0.000 1.009 181 T CA -2.334 59.900 62.100 0.224 0.000 1.051 181 T CB 1.640 70.476 68.868 -0.052 0.000 0.999 181 T HN -0.231 nan 8.240 nan 0.000 0.474 182 P HA 0.224 nan 4.420 nan 0.000 0.272 182 P C 1.005 178.739 177.300 0.724 0.000 1.240 182 P CA -0.597 62.859 63.100 0.595 0.000 0.791 182 P CB 0.495 32.579 31.700 0.640 0.000 0.978 183 L N 0.017 121.693 121.223 0.755 0.000 2.191 183 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 183 L C 2.117 179.355 176.870 0.614 0.000 1.103 183 L CA 1.309 56.523 54.840 0.624 0.000 0.769 183 L CB -0.576 41.759 42.059 0.460 0.000 0.908 183 L HN 0.374 nan 8.230 nan 0.000 0.438 184 F N 0.107 120.385 119.950 0.546 0.000 2.186 184 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 184 F C 2.167 178.042 175.800 0.124 0.000 1.090 184 F CA 1.192 59.282 58.000 0.150 0.000 1.307 184 F CB -0.276 38.552 39.000 -0.288 0.000 1.019 184 F HN -0.261 nan 8.300 nan 0.000 0.489 185 V N -0.574 119.393 119.914 0.089 0.000 2.295 185 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 185 V C 2.145 178.164 176.094 -0.126 0.000 1.049 185 V CA 2.176 64.411 62.300 -0.109 0.000 1.024 185 V CB -1.119 30.704 31.823 -0.001 0.000 0.648 185 V HN 0.506 nan 8.190 nan 0.000 0.447 186 W N 0.858 122.158 121.300 -0.000 0.000 2.304 186 W HA -0.298 4.362 4.660 -0.000 0.000 0.315 186 W C 3.046 179.528 176.519 -0.063 0.000 1.233 186 W CA 2.279 59.619 57.345 -0.008 0.000 1.261 186 W CB -0.637 28.843 29.460 0.033 0.000 1.150 186 W HN 0.387 nan 8.180 nan 0.000 0.494 187 S N -0.460 115.330 115.700 0.151 0.000 2.399 187 S HA -0.173 4.297 4.470 -0.000 0.000 0.231 187 S C 1.659 176.166 174.600 -0.155 0.000 1.022 187 S CA 1.640 59.867 58.200 0.044 0.000 0.983 187 S CB -0.895 62.365 63.200 0.100 0.000 0.803 187 S HN 0.071 nan 8.310 nan 0.000 0.480 188 V N 1.592 121.271 119.914 -0.392 0.000 2.407 188 V HA -0.029 4.091 4.120 -0.000 0.000 0.245 188 V C 2.590 178.508 176.094 -0.294 0.000 1.041 188 V CA 1.920 63.910 62.300 -0.517 0.000 1.040 188 V CB -0.741 30.570 31.823 -0.852 0.000 0.671 188 V HN 0.575 nan 8.190 nan 0.000 0.455 189 M N 0.017 119.506 119.600 -0.185 0.000 2.080 189 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 189 M C 1.983 178.287 176.300 0.007 0.000 1.068 189 M CA 2.155 57.408 55.300 -0.079 0.000 1.109 189 M CB -0.394 32.141 32.600 -0.109 0.000 1.342 189 M HN 0.244 nan 8.290 nan 0.000 0.405 190 I N -0.635 119.975 120.570 0.066 0.000 2.179 190 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 190 I C 2.163 178.324 176.117 0.072 0.000 1.088 190 I CA 1.706 63.075 61.300 0.115 0.000 1.357 190 I CB -0.857 37.244 38.000 0.168 0.000 1.051 190 I HN 0.349 nan 8.210 nan 0.000 0.409 191 T N 0.700 115.257 114.554 0.004 0.000 2.684 191 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 191 T C 2.061 176.766 174.700 0.008 0.000 1.036 191 T CA 1.594 63.681 62.100 -0.021 0.000 1.148 191 T CB -0.384 68.418 68.868 -0.109 0.000 0.863 191 T HN 0.498 nan 8.240 nan 0.000 0.436 192 A N 0.848 123.663 122.820 -0.008 0.000 1.902 192 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 192 A C 2.585 180.225 177.584 0.093 0.000 1.181 192 A CA 1.442 53.510 52.037 0.051 0.000 0.623 192 A CB -0.967 18.075 19.000 0.069 0.000 0.818 192 A HN 0.373 nan 8.150 nan 0.000 0.443 193 V N 0.214 120.187 119.914 0.098 0.000 2.358 193 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 193 V C 2.525 178.728 176.094 0.181 0.000 1.047 193 V CA 1.780 64.153 62.300 0.123 0.000 1.035 193 V CB -0.734 31.164 31.823 0.125 0.000 0.658 193 V HN 0.559 nan 8.190 nan 0.000 0.452 194 L N -0.831 120.516 121.223 0.207 0.000 2.093 194 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 194 L C 2.429 179.443 176.870 0.240 0.000 1.085 194 L CA 1.399 56.417 54.840 0.297 0.000 0.755 194 L CB -0.537 41.609 42.059 0.145 0.000 0.904 194 L HN 0.319 nan 8.230 nan 0.000 0.435 195 L N -0.536 120.781 121.223 0.155 0.000 2.046 195 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 195 L C 2.577 179.554 176.870 0.179 0.000 1.077 195 L CA 0.918 55.856 54.840 0.163 0.000 0.747 195 L CB -0.360 41.775 42.059 0.127 0.000 0.896 195 L HN 0.241 nan 8.230 nan 0.000 0.432 196 L N -0.528 120.789 121.223 0.157 0.000 2.083 196 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 196 L C 2.175 179.125 176.870 0.133 0.000 1.083 196 L CA 1.737 56.655 54.840 0.130 0.000 0.752 196 L CB -0.162 41.959 42.059 0.103 0.000 0.899 196 L HN 0.137 nan 8.230 nan 0.000 0.433 197 L N -1.729 119.596 121.223 0.171 0.000 2.249 197 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 197 L C 2.488 179.533 176.870 0.292 0.000 1.090 197 L CA 0.945 55.881 54.840 0.160 0.000 0.802 197 L CB -0.549 41.517 42.059 0.013 0.000 0.947 197 L HN 0.397 nan 8.230 nan 0.000 0.453 198 S N -0.287 115.638 115.700 0.374 0.000 2.421 198 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 198 S C 1.921 176.746 174.600 0.376 0.000 1.035 198 S CA 0.257 58.703 58.200 0.409 0.000 0.953 198 S CB -0.414 62.953 63.200 0.279 0.000 0.810 198 S HN 0.273 nan 8.310 nan 0.000 0.497 199 L N 1.674 123.064 121.223 0.278 0.000 2.109 199 L HA 0.082 4.422 4.340 -0.000 0.000 0.207 199 L C -0.827 176.058 176.870 0.024 0.000 1.086 199 L CA 0.828 55.736 54.840 0.112 0.000 0.760 199 L CB -1.168 40.957 42.059 0.109 0.000 0.910 199 L HN 0.275 nan 8.230 nan 0.000 0.437 200 P HA -0.122 nan 4.420 nan 0.000 0.218 200 P C 1.857 179.162 177.300 0.008 0.000 1.149 200 P CA 1.071 64.192 63.100 0.033 0.000 0.817 200 P CB 0.039 31.762 31.700 0.039 0.000 0.785 201 V N -0.251 119.691 119.914 0.046 0.000 2.343 201 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 201 V C 2.430 178.486 176.094 -0.064 0.000 1.051 201 V CA 1.483 63.789 62.300 0.010 0.000 1.036 201 V CB -1.332 30.566 31.823 0.126 0.000 0.654 201 V HN 0.050 nan 8.190 nan 0.000 0.451 202 L N 1.108 122.258 121.223 -0.122 0.000 2.013 202 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 202 L C 2.456 179.177 176.870 -0.247 0.000 1.073 202 L CA 2.525 57.156 54.840 -0.348 0.000 0.753 202 L CB -0.905 40.625 42.059 -0.881 0.000 0.890 202 L HN 0.231 nan 8.230 nan 0.000 0.432 203 A N -0.728 121.998 122.820 -0.157 0.000 1.933 203 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 203 A C 2.443 180.028 177.584 0.001 0.000 1.175 203 A CA 1.778 53.785 52.037 -0.050 0.000 0.628 203 A CB -1.153 17.888 19.000 0.067 0.000 0.814 203 A HN 0.603 nan 8.150 nan 0.000 0.444 204 A N -0.385 122.414 122.820 -0.035 0.000 1.858 204 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 204 A C 2.444 179.991 177.584 -0.061 0.000 1.190 204 A CA 1.973 53.977 52.037 -0.055 0.000 0.617 204 A CB -1.468 17.482 19.000 -0.084 0.000 0.827 204 A HN 0.763 nan 8.150 nan 0.000 0.443 205 G N 0.466 109.232 108.800 -0.057 0.000 2.432 205 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.219 205 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.219 205 G C 1.449 176.448 174.900 0.165 0.000 1.135 205 G CA 1.225 46.343 45.100 0.030 0.000 0.767 205 G HN 0.824 nan 8.290 nan 0.000 0.550 206 I N -2.545 118.049 120.570 0.039 0.000 3.226 206 I HA 0.146 4.316 4.170 -0.000 0.000 0.277 206 I C 2.212 178.325 176.117 -0.008 0.000 1.243 206 I CA 0.913 62.229 61.300 0.027 0.000 1.459 206 I CB -0.333 37.552 38.000 -0.192 0.000 1.093 206 I HN -0.140 nan 8.210 nan 0.000 0.453 207 T N 1.651 116.225 114.554 0.033 0.000 2.857 207 T HA 0.038 4.388 4.350 -0.000 0.000 0.266 207 T C 1.926 176.654 174.700 0.046 0.000 1.048 207 T CA 1.619 63.773 62.100 0.091 0.000 1.139 207 T CB -0.165 68.775 68.868 0.120 0.000 0.874 207 T HN 0.309 nan 8.240 nan 0.000 0.455 208 M N 0.372 119.959 119.600 -0.022 0.000 2.175 208 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 208 M C 2.234 178.657 176.300 0.206 0.000 1.063 208 M CA 1.119 56.346 55.300 -0.121 0.000 1.119 208 M CB -0.439 31.762 32.600 -0.666 0.000 1.377 208 M HN 0.166 nan 8.290 nan 0.000 0.415 209 L N 0.722 122.184 121.223 0.400 0.000 2.046 209 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 209 L C 2.203 179.147 176.870 0.125 0.000 1.077 209 L CA 1.588 56.628 54.840 0.333 0.000 0.747 209 L CB -0.769 41.367 42.059 0.129 0.000 0.896 209 L HN 0.203 nan 8.230 nan 0.000 0.432 210 L N -0.571 120.679 121.223 0.046 0.000 2.013 210 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 210 L C 2.552 179.450 176.870 0.046 0.000 1.073 210 L CA 2.639 57.469 54.840 -0.018 0.000 0.753 210 L CB -0.984 41.033 42.059 -0.070 0.000 0.890 210 L HN 0.641 nan 8.230 nan 0.000 0.432 211 T N -5.250 109.363 114.554 0.097 0.000 2.985 211 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 211 T C 1.608 176.367 174.700 0.097 0.000 1.076 211 T CA 0.896 63.063 62.100 0.112 0.000 1.135 211 T CB -0.522 68.449 68.868 0.171 0.000 0.890 211 T HN 0.247 nan 8.240 nan 0.000 0.480 212 D N 1.428 121.902 120.400 0.123 0.000 2.218 212 D HA 0.029 4.669 4.640 -0.000 0.000 0.204 212 D C 2.388 178.724 176.300 0.059 0.000 0.976 212 D CA 0.741 54.788 54.000 0.078 0.000 0.853 212 D CB -0.129 40.745 40.800 0.124 0.000 0.939 212 D HN 0.446 nan 8.370 nan 0.000 0.481 213 R N -0.301 120.235 120.500 0.060 0.000 2.161 213 R HA 0.150 4.490 4.340 -0.000 0.000 0.213 213 R C 1.139 177.462 176.300 0.038 0.000 1.055 213 R CA 0.738 56.862 56.100 0.041 0.000 0.996 213 R CB 0.205 30.519 30.300 0.023 0.000 0.901 213 R HN 0.184 nan 8.270 nan 0.000 0.456 214 N N -0.895 117.830 118.700 0.042 0.000 2.166 214 N HA 0.109 4.849 4.740 -0.000 0.000 0.222 214 N C 0.756 176.291 175.510 0.041 0.000 1.282 214 N CA 0.234 53.311 53.050 0.045 0.000 0.890 214 N CB 1.101 39.624 38.487 0.060 0.000 1.114 214 N HN 0.084 nan 8.380 nan 0.000 0.494 215 L N 0.830 122.076 121.223 0.038 0.000 2.959 215 L HA 0.296 4.636 4.340 -0.000 0.000 0.259 215 L C -0.228 176.642 176.870 0.001 0.000 1.185 215 L CA -0.029 54.826 54.840 0.026 0.000 0.998 215 L CB 0.034 42.115 42.059 0.038 0.000 1.337 215 L HN -0.051 nan 8.230 nan 0.000 0.555 216 N N 0.909 119.606 118.700 -0.005 0.000 2.747 216 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 216 N C 0.425 175.890 175.510 -0.074 0.000 1.107 216 N CA 1.288 54.320 53.050 -0.029 0.000 0.707 216 N CB -1.307 37.165 38.487 -0.024 0.000 1.054 216 N HN 0.537 nan 8.380 nan 0.000 0.555 217 T N -2.642 111.857 114.554 -0.091 0.000 2.828 217 T HA 0.511 4.861 4.350 -0.000 0.000 0.290 217 T C 1.169 175.722 174.700 -0.244 0.000 1.019 217 T CA 0.228 62.186 62.100 -0.237 0.000 1.031 217 T CB 1.626 70.335 68.868 -0.264 0.000 1.001 217 T HN 0.251 nan 8.240 nan 0.000 0.531 218 T N -1.317 112.997 114.554 -0.401 0.000 3.533 218 T HA 0.321 4.671 4.350 -0.000 0.000 0.275 218 T C 0.646 175.150 174.700 -0.326 0.000 1.000 218 T CA -0.674 61.270 62.100 -0.260 0.000 1.015 218 T CB -0.909 67.859 68.868 -0.165 0.000 1.153 218 T HN 0.478 nan 8.240 nan 0.000 0.504 219 F N 0.725 120.456 119.950 -0.365 0.000 2.161 219 F HA 0.075 4.602 4.527 -0.000 0.000 0.300 219 F C 1.280 176.807 175.800 -0.456 0.000 1.089 219 F CA 1.204 58.855 58.000 -0.581 0.000 1.282 219 F CB -0.320 37.965 39.000 -1.191 0.000 1.010 219 F HN 0.354 nan 8.300 nan 0.000 0.485 220 F N -1.539 118.533 119.950 0.203 0.000 2.661 220 F HA 0.216 4.743 4.527 -0.000 0.000 0.306 220 F C 0.095 175.936 175.800 0.068 0.000 1.094 220 F CA -0.891 57.187 58.000 0.130 0.000 1.254 220 F CB -0.251 38.814 39.000 0.108 0.000 1.040 220 F HN -0.266 nan 8.300 nan 0.000 0.562 221 D N 1.654 122.134 120.400 0.133 0.000 2.427 221 D HA 0.274 4.913 4.640 -0.000 0.000 0.226 221 D C -1.969 174.359 176.300 0.048 0.000 1.076 221 D CA -2.629 51.418 54.000 0.078 0.000 0.849 221 D CB 1.929 42.753 40.800 0.039 0.000 1.052 221 D HN -0.134 nan 8.370 nan 0.000 0.515 222 P HA -0.150 nan 4.420 nan 0.000 0.217 222 P C 1.045 178.359 177.300 0.024 0.000 1.148 222 P CA 1.180 64.308 63.100 0.047 0.000 0.828 222 P CB 0.166 31.897 31.700 0.052 0.000 0.783 223 A N -0.379 122.452 122.820 0.018 0.000 2.070 223 A HA -0.011 4.309 4.320 -0.000 0.000 0.220 223 A C 2.228 179.807 177.584 -0.010 0.000 1.159 223 A CA 1.772 53.812 52.037 0.006 0.000 0.656 223 A CB -1.533 17.471 19.000 0.006 0.000 0.800 223 A HN 0.336 nan 8.150 nan 0.000 0.453 224 G N -2.645 106.142 108.800 -0.022 0.000 3.233 224 G HA2 0.403 4.363 3.960 -0.000 0.000 0.234 224 G HA3 0.403 4.363 3.960 -0.000 0.000 0.234 224 G C 1.009 175.881 174.900 -0.046 0.000 1.137 224 G CA 0.459 45.530 45.100 -0.049 0.000 0.763 224 G HN 1.549 nan 8.290 nan 0.000 0.549 225 G N -1.210 107.580 108.800 -0.017 0.000 2.176 225 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.232 225 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.232 225 G C 0.774 175.680 174.900 0.010 0.000 0.986 225 G CA 0.180 45.277 45.100 -0.005 0.000 0.643 225 G HN 0.988 nan 8.290 nan 0.000 0.522 226 G N -0.879 107.928 108.800 0.011 0.000 2.543 226 G HA2 0.531 4.491 3.960 -0.000 0.000 0.290 226 G HA3 0.531 4.491 3.960 -0.000 0.000 0.290 226 G C -0.969 174.005 174.900 0.124 0.000 1.310 226 G CA 0.503 45.638 45.100 0.060 0.000 1.025 226 G HN 0.432 nan 8.290 nan 0.000 0.502 227 D N -1.450 119.082 120.400 0.219 0.000 2.763 227 D HA 0.338 4.978 4.640 -0.000 0.000 0.235 227 D C -2.021 174.453 176.300 0.291 0.000 1.334 227 D CA -1.616 52.512 54.000 0.214 0.000 0.950 227 D CB 2.224 43.142 40.800 0.196 0.000 1.433 227 D HN -0.063 nan 8.370 nan 0.000 0.580 228 P HA -0.081 nan 4.420 nan 0.000 0.219 228 P C 1.599 178.889 177.300 -0.017 0.000 1.146 228 P CA 0.423 63.576 63.100 0.088 0.000 0.808 228 P CB 0.349 32.063 31.700 0.023 0.000 0.779 229 I N -1.276 119.310 120.570 0.026 0.000 2.394 229 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 229 I C 2.136 178.260 176.117 0.011 0.000 1.136 229 I CA 0.893 62.170 61.300 -0.040 0.000 1.425 229 I CB -1.667 36.341 38.000 0.013 0.000 1.079 229 I HN -0.006 nan 8.210 nan 0.000 0.425 230 L N 0.560 121.890 121.223 0.178 0.000 2.012 230 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 230 L C 2.615 179.555 176.870 0.116 0.000 1.073 230 L CA 1.832 56.835 54.840 0.271 0.000 0.748 230 L CB -1.240 41.071 42.059 0.421 0.000 0.891 230 L HN 0.273 nan 8.230 nan 0.000 0.431 231 Y N 0.298 120.428 120.300 -0.283 0.000 2.102 231 Y HA -0.379 4.171 4.550 -0.000 0.000 0.280 231 Y C 2.578 178.273 175.900 -0.341 0.000 1.178 231 Y CA 2.492 60.152 58.100 -0.733 0.000 1.146 231 Y CB -0.234 37.426 38.460 -1.334 0.000 0.968 231 Y HN 0.417 nan 8.280 nan 0.000 0.504 232 Q N -1.327 118.267 119.800 -0.343 0.000 2.079 232 Q HA -0.224 4.116 4.340 -0.000 0.000 0.200 232 Q C 2.084 178.069 176.000 -0.024 0.000 0.974 232 Q CA 1.385 57.011 55.803 -0.296 0.000 0.840 232 Q CB -0.348 28.146 28.738 -0.407 0.000 0.898 232 Q HN 0.632 nan 8.270 nan 0.000 0.430 233 H N 0.686 119.813 119.070 0.094 0.000 2.319 233 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 233 H C 2.222 177.537 175.328 -0.022 0.000 1.092 233 H CA 1.197 57.363 56.048 0.197 0.000 1.302 233 H CB -0.217 29.670 29.762 0.208 0.000 1.373 233 H HN 0.207 nan 8.280 nan 0.000 0.497 234 L N -0.575 120.628 121.223 -0.033 0.000 2.027 234 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 234 L C 2.553 179.312 176.870 -0.186 0.000 1.074 234 L CA 1.025 55.779 54.840 -0.143 0.000 0.745 234 L CB -0.564 41.382 42.059 -0.189 0.000 0.898 234 L HN 0.106 nan 8.230 nan 0.000 0.433 235 F N -0.060 119.557 119.950 -0.555 0.000 2.065 235 F HA -0.289 4.238 4.527 -0.000 0.000 0.298 235 F C 2.056 177.635 175.800 -0.368 0.000 1.112 235 F CA 1.812 59.455 58.000 -0.594 0.000 1.212 235 F CB -0.446 37.988 39.000 -0.944 0.000 0.975 235 F HN -0.017 nan 8.300 nan 0.000 0.476 236 W N -1.295 120.059 121.300 0.090 0.000 2.519 236 W HA -0.098 4.562 4.660 -0.000 0.000 0.266 236 W C 2.186 178.678 176.519 -0.044 0.000 1.253 236 W CA 0.430 57.801 57.345 0.044 0.000 1.274 236 W CB -0.531 29.103 29.460 0.290 0.000 1.114 236 W HN 0.093 nan 8.180 nan 0.000 0.596 237 F N -0.278 119.587 119.950 -0.141 0.000 2.293 237 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 237 F C 2.071 177.781 175.800 -0.150 0.000 1.086 237 F CA 1.400 59.181 58.000 -0.365 0.000 1.375 237 F CB -0.400 38.221 39.000 -0.633 0.000 1.045 237 F HN -0.038 nan 8.300 nan 0.000 0.516 238 F N 0.099 119.926 119.950 -0.206 0.000 2.220 238 F HA 0.231 4.758 4.527 -0.000 0.000 0.290 238 F C 2.248 177.828 175.800 -0.367 0.000 1.080 238 F CA 1.402 59.233 58.000 -0.281 0.000 1.318 238 F CB -1.173 37.623 39.000 -0.340 0.000 1.063 238 F HN -0.139 nan 8.300 nan 0.000 0.498 239 G N -0.701 107.509 108.800 -0.984 0.000 2.442 239 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.219 239 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.219 239 G C 1.445 176.124 174.900 -0.368 0.000 1.141 239 G CA 1.293 45.831 45.100 -0.937 0.000 0.763 239 G HN 0.552 nan 8.290 nan 0.000 0.554 240 H N 1.766 120.799 119.070 -0.062 0.000 2.261 240 H HA -0.008 4.548 4.556 -0.000 0.000 0.301 240 H C 0.265 175.515 175.328 -0.130 0.000 1.067 240 H CA 1.858 57.927 56.048 0.035 0.000 1.297 240 H CB -0.691 29.186 29.762 0.191 0.000 1.377 240 H HN 0.229 nan 8.280 nan 0.000 0.492 241 P HA -0.212 nan 4.420 nan 0.000 0.218 241 P C 1.289 178.315 177.300 -0.457 0.000 1.154 241 P CA 2.192 64.999 63.100 -0.488 0.000 0.872 241 P CB -0.038 31.216 31.700 -0.743 0.000 0.790 242 E N -0.041 119.737 120.200 -0.703 0.000 2.114 242 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 242 E C 1.702 178.002 176.600 -0.500 0.000 1.008 242 E CA 1.807 57.806 56.400 -0.669 0.000 0.810 242 E CB -1.222 27.851 29.700 -1.046 0.000 0.739 242 E HN 0.164 nan 8.360 nan 0.000 0.456 243 V N -1.404 118.165 119.914 -0.576 0.000 2.626 243 V HA -0.172 3.948 4.120 -0.000 0.000 0.252 243 V C 1.885 177.583 176.094 -0.660 0.000 1.067 243 V CA 1.647 63.586 62.300 -0.602 0.000 1.081 243 V CB -1.034 30.415 31.823 -0.624 0.000 0.686 243 V HN 0.225 nan 8.190 nan 0.000 0.468 244 Y N 0.444 120.539 120.300 -0.341 0.000 2.243 244 Y HA 0.160 4.710 4.550 -0.000 0.000 0.293 244 Y C 2.358 178.122 175.900 -0.226 0.000 1.124 244 Y CA 1.563 59.534 58.100 -0.216 0.000 1.159 244 Y CB -0.460 37.922 38.460 -0.130 0.000 1.008 244 Y HN 0.163 nan 8.280 nan 0.000 0.527 245 I N -0.363 120.119 120.570 -0.146 0.000 2.264 245 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 245 I C 1.949 177.957 176.117 -0.182 0.000 1.111 245 I CA 1.385 62.600 61.300 -0.141 0.000 1.382 245 I CB -0.364 37.549 38.000 -0.145 0.000 1.060 245 I HN 0.204 nan 8.210 nan 0.000 0.418 246 L N -0.626 120.448 121.223 -0.248 0.000 2.201 246 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 246 L C 2.221 178.972 176.870 -0.198 0.000 1.105 246 L CA 0.919 55.622 54.840 -0.229 0.000 0.775 246 L CB -0.152 41.737 42.059 -0.283 0.000 0.913 246 L HN 0.258 nan 8.230 nan 0.000 0.440 247 I N -1.502 118.906 120.570 -0.270 0.000 3.939 247 I HA -0.012 4.158 4.170 -0.000 0.000 0.313 247 I C 1.901 177.689 176.117 -0.548 0.000 1.274 247 I CA 0.726 61.820 61.300 -0.344 0.000 1.301 247 I CB 0.259 38.020 38.000 -0.399 0.000 1.105 247 I HN -0.003 nan 8.210 nan 0.000 0.427 248 L N 1.432 122.404 121.223 -0.419 0.000 2.012 248 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 248 L C -0.473 176.361 176.870 -0.060 0.000 1.073 248 L CA 1.627 56.297 54.840 -0.282 0.000 0.748 248 L CB -1.741 40.283 42.059 -0.059 0.000 0.891 248 L HN 0.191 nan 8.230 nan 0.000 0.431 249 P HA -0.115 nan 4.420 nan 0.000 0.220 249 P C 1.506 178.905 177.300 0.164 0.000 1.148 249 P CA 1.541 64.684 63.100 0.072 0.000 0.803 249 P CB -0.183 31.548 31.700 0.051 0.000 0.782 250 G N -1.035 107.773 108.800 0.012 0.000 2.421 250 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 250 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 250 G C 1.464 176.348 174.900 -0.027 0.000 1.171 250 G CA 0.271 45.336 45.100 -0.058 0.000 0.775 250 G HN 0.224 nan 8.290 nan 0.000 0.543 251 F N 1.271 121.227 119.950 0.010 0.000 2.091 251 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 251 F C 3.038 178.991 175.800 0.255 0.000 1.103 251 F CA 0.429 58.534 58.000 0.174 0.000 1.228 251 F CB -0.227 38.981 39.000 0.346 0.000 0.984 251 F HN 0.275 nan 8.300 nan 0.000 0.477 252 G N -0.129 108.963 108.800 0.487 0.000 2.422 252 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 252 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 252 G C 1.581 176.793 174.900 0.520 0.000 1.146 252 G CA 0.573 46.004 45.100 0.552 0.000 0.769 252 G HN 0.236 nan 8.290 nan 0.000 0.547 253 M N 0.132 119.915 119.600 0.306 0.000 2.200 253 M HA 0.066 4.546 4.480 -0.000 0.000 0.265 253 M C 2.451 178.762 176.300 0.018 0.000 1.066 253 M CA 0.755 56.115 55.300 0.101 0.000 1.127 253 M CB -0.250 32.287 32.600 -0.104 0.000 1.379 253 M HN 0.090 nan 8.290 nan 0.000 0.420 254 I N 0.117 120.571 120.570 -0.193 0.000 2.151 254 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 254 I C 2.437 178.395 176.117 -0.264 0.000 1.080 254 I CA 1.556 62.568 61.300 -0.480 0.000 1.339 254 I CB -1.426 35.866 38.000 -1.180 0.000 1.039 254 I HN 0.252 nan 8.210 nan 0.000 0.409 255 S N -0.339 115.436 115.700 0.126 0.000 2.372 255 S HA -0.238 4.232 4.470 -0.000 0.000 0.227 255 S C 1.900 176.667 174.600 0.279 0.000 1.044 255 S CA 1.317 59.761 58.200 0.406 0.000 1.050 255 S CB -0.564 62.996 63.200 0.600 0.000 0.901 255 S HN 0.507 nan 8.310 nan 0.000 0.447 256 H N 0.233 119.421 119.070 0.196 0.000 2.357 256 H HA 0.034 4.590 4.556 -0.000 0.000 0.301 256 H C 2.191 177.504 175.328 -0.025 0.000 1.082 256 H CA 1.435 57.587 56.048 0.172 0.000 1.342 256 H CB -0.176 29.770 29.762 0.307 0.000 1.389 256 H HN 0.352 nan 8.280 nan 0.000 0.511 257 I N 0.166 120.712 120.570 -0.041 0.000 2.163 257 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 257 I C 2.574 178.706 176.117 0.025 0.000 1.081 257 I CA 0.649 61.844 61.300 -0.174 0.000 1.353 257 I CB -0.236 37.633 38.000 -0.218 0.000 1.054 257 I HN -0.007 nan 8.210 nan 0.000 0.407 258 V N 0.770 120.674 119.914 -0.018 0.000 2.287 258 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 258 V C 2.542 178.671 176.094 0.059 0.000 1.053 258 V CA 2.608 64.916 62.300 0.014 0.000 1.027 258 V CB -1.035 30.779 31.823 -0.015 0.000 0.646 258 V HN 0.499 nan 8.190 nan 0.000 0.447 259 T N -1.138 113.464 114.554 0.081 0.000 2.652 259 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 259 T C 1.733 176.420 174.700 -0.022 0.000 1.039 259 T CA 2.248 64.382 62.100 0.058 0.000 1.153 259 T CB -0.424 68.489 68.868 0.075 0.000 0.863 259 T HN 0.563 nan 8.240 nan 0.000 0.428 260 Y N 0.749 120.932 120.300 -0.196 0.000 2.114 260 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 260 Y C 1.795 177.421 175.900 -0.455 0.000 1.143 260 Y CA 1.340 59.218 58.100 -0.370 0.000 1.135 260 Y CB -0.344 37.765 38.460 -0.584 0.000 0.980 260 Y HN 0.273 nan 8.280 nan 0.000 0.499 261 Y N -1.177 119.108 120.300 -0.026 0.000 2.490 261 Y HA 0.056 4.606 4.550 -0.000 0.000 0.281 261 Y C 2.155 177.935 175.900 -0.200 0.000 1.174 261 Y CA 0.666 58.695 58.100 -0.118 0.000 1.295 261 Y CB -0.110 38.278 38.460 -0.121 0.000 1.062 261 Y HN 0.003 nan 8.280 nan 0.000 0.522 262 S N -0.695 114.963 115.700 -0.071 0.000 2.593 262 S HA 0.140 4.610 4.470 -0.000 0.000 0.217 262 S C 1.841 176.363 174.600 -0.130 0.000 0.966 262 S CA 0.641 58.783 58.200 -0.097 0.000 0.914 262 S CB -0.336 62.837 63.200 -0.044 0.000 0.776 262 S HN 0.693 nan 8.310 nan 0.000 0.523 263 G N 1.478 110.153 108.800 -0.208 0.000 2.179 263 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 263 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 263 G C -0.049 174.749 174.900 -0.169 0.000 1.010 263 G CA 0.334 45.295 45.100 -0.232 0.000 0.736 263 G HN 0.380 nan 8.290 nan 0.000 0.513 264 K N -0.294 120.026 120.400 -0.133 0.000 2.098 264 K HA 0.572 4.892 4.320 -0.000 0.000 0.258 264 K C 1.399 177.960 176.600 -0.065 0.000 0.973 264 K CA -0.225 56.023 56.287 -0.066 0.000 0.898 264 K CB 1.008 33.507 32.500 -0.002 0.000 1.057 264 K HN 0.262 nan 8.250 nan 0.000 0.447 265 K N 0.967 121.349 120.400 -0.031 0.000 2.400 265 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 265 K C -0.340 176.271 176.600 0.019 0.000 1.033 265 K CA 0.521 56.799 56.287 -0.016 0.000 1.021 265 K CB 0.244 32.737 32.500 -0.012 0.000 0.808 265 K HN 0.622 nan 8.250 nan 0.000 0.505 266 E N 0.586 120.807 120.200 0.036 0.000 2.390 266 E HA 0.325 4.675 4.350 -0.000 0.000 0.280 266 E C -3.080 173.587 176.600 0.112 0.000 0.992 266 E CA -2.311 54.129 56.400 0.067 0.000 0.790 266 E CB 1.694 31.422 29.700 0.046 0.000 1.248 266 E HN -0.162 nan 8.360 nan 0.000 0.447 267 P HA 0.106 nan 4.420 nan 0.000 0.274 267 P C -0.565 176.880 177.300 0.242 0.000 1.237 267 P CA -0.377 62.857 63.100 0.223 0.000 0.793 267 P CB 0.443 32.294 31.700 0.252 0.000 0.977 268 F N 1.342 121.363 119.950 0.119 0.000 2.529 268 F HA 0.364 4.891 4.527 -0.000 0.000 0.365 268 F C 1.317 177.163 175.800 0.076 0.000 1.102 268 F CA 1.326 59.381 58.000 0.092 0.000 1.271 268 F CB -0.155 38.898 39.000 0.088 0.000 1.120 268 F HN 0.700 nan 8.300 nan 0.000 0.579 269 G N 5.693 114.153 108.800 -0.568 0.000 2.324 269 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.292 269 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.292 269 G C 0.333 175.184 174.900 -0.083 0.000 1.079 269 G CA 0.498 45.342 45.100 -0.426 0.000 1.026 269 G HN 1.055 nan 8.290 nan 0.000 0.506 270 Y N 0.323 120.548 120.300 -0.125 0.000 2.081 270 Y HA -0.249 4.301 4.550 -0.000 0.000 0.280 270 Y C 2.639 178.493 175.900 -0.077 0.000 1.163 270 Y CA 2.689 60.762 58.100 -0.045 0.000 1.135 270 Y CB -0.093 38.363 38.460 -0.006 0.000 0.970 270 Y HN 0.387 nan 8.280 nan 0.000 0.498 271 M N -0.048 119.580 119.600 0.046 0.000 2.229 271 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 271 M C 2.417 178.627 176.300 -0.151 0.000 1.063 271 M CA 1.400 56.636 55.300 -0.107 0.000 1.114 271 M CB -1.885 30.683 32.600 -0.054 0.000 1.387 271 M HN 0.514 nan 8.290 nan 0.000 0.420 272 G N -0.193 108.545 108.800 -0.105 0.000 2.422 272 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 272 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 272 G C 1.528 176.453 174.900 0.041 0.000 1.140 272 G CA 0.461 45.550 45.100 -0.018 0.000 0.775 272 G HN 0.261 nan 8.290 nan 0.000 0.545 273 M N 0.412 119.949 119.600 -0.105 0.000 2.200 273 M HA 0.051 4.531 4.480 -0.000 0.000 0.265 273 M C 2.756 178.915 176.300 -0.234 0.000 1.066 273 M CA 0.549 55.757 55.300 -0.152 0.000 1.127 273 M CB -0.898 31.602 32.600 -0.165 0.000 1.379 273 M HN 0.106 nan 8.290 nan 0.000 0.420 274 V N -0.722 118.925 119.914 -0.445 0.000 2.233 274 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 274 V C 2.087 177.984 176.094 -0.328 0.000 1.050 274 V CA 2.174 64.081 62.300 -0.656 0.000 1.010 274 V CB -0.996 30.180 31.823 -1.078 0.000 0.637 274 V HN 0.641 nan 8.190 nan 0.000 0.444 275 W N 1.040 122.137 121.300 -0.338 0.000 2.321 275 W HA -0.278 4.382 4.660 -0.000 0.000 0.306 275 W C 2.404 178.840 176.519 -0.137 0.000 1.217 275 W CA 2.522 59.746 57.345 -0.202 0.000 1.257 275 W CB -0.388 28.971 29.460 -0.167 0.000 1.145 275 W HN 0.207 nan 8.180 nan 0.000 0.509 276 A N 0.031 122.796 122.820 -0.091 0.000 1.898 276 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 276 A C 2.056 179.467 177.584 -0.288 0.000 1.181 276 A CA 1.859 53.692 52.037 -0.339 0.000 0.620 276 A CB -0.850 18.108 19.000 -0.071 0.000 0.819 276 A HN 0.404 nan 8.150 nan 0.000 0.442 277 M N -0.986 118.530 119.600 -0.139 0.000 2.117 277 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 277 M C 2.359 178.632 176.300 -0.046 0.000 1.065 277 M CA 1.432 56.727 55.300 -0.008 0.000 1.114 277 M CB -0.431 32.210 32.600 0.068 0.000 1.361 277 M HN 0.407 nan 8.290 nan 0.000 0.408 278 M N -0.703 118.824 119.600 -0.121 0.000 2.117 278 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 278 M C 2.278 178.510 176.300 -0.112 0.000 1.065 278 M CA 1.541 56.801 55.300 -0.068 0.000 1.114 278 M CB -0.969 31.578 32.600 -0.088 0.000 1.361 278 M HN 0.220 nan 8.290 nan 0.000 0.408 279 S N 1.083 116.558 115.700 -0.375 0.000 2.359 279 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 279 S C 1.908 176.401 174.600 -0.179 0.000 1.035 279 S CA 1.245 59.195 58.200 -0.417 0.000 1.018 279 S CB -0.403 62.214 63.200 -0.971 0.000 0.876 279 S HN 0.367 nan 8.310 nan 0.000 0.448 280 I N 1.350 121.805 120.570 -0.191 0.000 2.226 280 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 280 I C 2.657 178.666 176.117 -0.180 0.000 1.100 280 I CA 1.125 62.321 61.300 -0.174 0.000 1.374 280 I CB -0.777 37.202 38.000 -0.035 0.000 1.057 280 I HN 0.374 nan 8.210 nan 0.000 0.413 281 G N 0.475 109.259 108.800 -0.027 0.000 2.421 281 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.216 281 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.216 281 G C 1.620 176.633 174.900 0.188 0.000 1.171 281 G CA 0.623 45.763 45.100 0.067 0.000 0.775 281 G HN 0.348 nan 8.290 nan 0.000 0.543 282 F N 1.091 121.075 119.950 0.057 0.000 2.113 282 F HA 0.061 4.588 4.527 -0.000 0.000 0.297 282 F C 2.472 178.351 175.800 0.131 0.000 1.103 282 F CA 1.215 59.296 58.000 0.136 0.000 1.248 282 F CB -0.156 38.867 39.000 0.038 0.000 0.999 282 F HN 0.030 nan 8.300 nan 0.000 0.475 283 L N -0.016 121.331 121.223 0.207 0.000 2.191 283 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 283 L C 2.687 179.483 176.870 -0.123 0.000 1.103 283 L CA 1.053 55.920 54.840 0.045 0.000 0.769 283 L CB -1.453 40.616 42.059 0.016 0.000 0.908 283 L HN 0.343 nan 8.230 nan 0.000 0.438 284 G N -0.568 108.082 108.800 -0.251 0.000 2.527 284 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 284 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 284 G C 1.208 175.908 174.900 -0.332 0.000 1.117 284 G CA 0.341 45.258 45.100 -0.305 0.000 0.759 284 G HN 0.288 nan 8.290 nan 0.000 0.556 285 F N 0.140 120.010 119.950 -0.134 0.000 2.743 285 F HA 0.261 4.788 4.527 -0.000 0.000 0.297 285 F C 1.895 177.735 175.800 0.066 0.000 1.131 285 F CA 0.134 58.018 58.000 -0.194 0.000 1.426 285 F CB 0.288 39.123 39.000 -0.274 0.000 1.116 285 F HN 0.244 nan 8.300 nan 0.000 0.583 286 I N -2.503 118.197 120.570 0.217 0.000 3.817 286 I HA 0.240 4.410 4.170 -0.000 0.000 0.325 286 I C 0.550 176.848 176.117 0.301 0.000 1.550 286 I CA -0.035 61.503 61.300 0.397 0.000 1.100 286 I CB 0.187 38.335 38.000 0.247 0.000 1.216 286 I HN -0.114 nan 8.210 nan 0.000 0.481 287 V N -3.160 116.870 119.914 0.194 0.000 3.432 287 V HA 0.213 4.333 4.120 -0.000 0.000 0.298 287 V C 1.812 177.692 176.094 -0.356 0.000 1.464 287 V CA -0.028 62.239 62.300 -0.054 0.000 1.046 287 V CB -0.830 30.777 31.823 -0.361 0.000 0.887 287 V HN 0.697 nan 8.190 nan 0.000 0.441 288 W N 2.225 123.452 121.300 -0.122 0.000 2.325 288 W HA -0.011 4.649 4.660 -0.000 0.000 0.299 288 W C 1.960 178.273 176.519 -0.343 0.000 1.215 288 W CA 1.870 59.143 57.345 -0.119 0.000 1.244 288 W CB -0.978 28.560 29.460 0.131 0.000 1.140 288 W HN 0.223 nan 8.180 nan 0.000 0.523 289 A N 1.754 123.632 122.820 -1.571 0.000 2.172 289 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 289 A C 1.850 178.680 177.584 -1.257 0.000 1.154 289 A CA 1.380 52.519 52.037 -1.497 0.000 0.701 289 A CB -1.851 15.876 19.000 -2.122 0.000 0.789 289 A HN 0.813 nan 8.150 nan 0.000 0.465 290 H N -2.741 115.613 119.070 -1.193 0.000 2.560 290 H HA -0.050 4.506 4.556 -0.000 0.000 0.283 290 H C 0.835 175.346 175.328 -1.361 0.000 1.028 290 H CA 0.913 55.914 56.048 -1.746 0.000 1.221 290 H CB -0.418 28.775 29.762 -0.949 0.000 1.363 290 H HN 0.684 nan 8.280 nan 0.000 0.594 291 H N 0.440 119.144 119.070 -0.611 0.000 2.533 291 H HA 0.171 4.727 4.556 -0.000 0.000 0.271 291 H C 0.636 175.620 175.328 -0.573 0.000 1.000 291 H CA 0.362 55.979 56.048 -0.719 0.000 1.149 291 H CB 0.411 29.197 29.762 -1.625 0.000 1.375 291 H HN 0.523 nan 8.280 nan 0.000 0.582 292 M N -0.467 118.828 119.600 -0.508 0.000 2.625 292 M HA 0.105 4.585 4.480 -0.000 0.000 0.396 292 M C 0.255 176.413 176.300 -0.237 0.000 1.174 292 M CA -0.209 54.896 55.300 -0.325 0.000 0.898 292 M CB 0.531 32.963 32.600 -0.279 0.000 1.450 292 M HN -0.069 nan 8.290 nan 0.000 0.522 293 F N 1.043 120.837 119.950 -0.260 0.000 2.333 293 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 293 F C 2.593 178.298 175.800 -0.158 0.000 1.083 293 F CA 1.547 59.438 58.000 -0.182 0.000 1.395 293 F CB -0.795 38.114 39.000 -0.153 0.000 1.056 293 F HN 0.251 nan 8.300 nan 0.000 0.529 294 T N -3.123 111.398 114.554 -0.055 0.000 3.163 294 T HA 0.143 4.493 4.350 -0.000 0.000 0.252 294 T C 1.518 176.214 174.700 -0.007 0.000 1.056 294 T CA 0.660 62.744 62.100 -0.028 0.000 0.947 294 T CB -0.737 68.115 68.868 -0.026 0.000 1.016 294 T HN 0.123 nan 8.240 nan 0.000 0.554 295 V N -1.986 117.919 119.914 -0.016 0.000 3.541 295 V HA 0.584 4.704 4.120 -0.000 0.000 0.267 295 V C 1.316 177.429 176.094 0.031 0.000 1.213 295 V CA 0.264 62.566 62.300 0.003 0.000 1.149 295 V CB -1.127 30.676 31.823 -0.033 0.000 0.822 295 V HN 0.782 nan 8.190 nan 0.000 0.462 296 G N 0.282 109.108 108.800 0.042 0.000 2.754 296 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 296 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 296 G C -0.558 174.383 174.900 0.068 0.000 1.121 296 G CA 0.085 45.216 45.100 0.052 0.000 0.954 296 G HN 0.455 nan 8.290 nan 0.000 0.511 297 M N 0.404 120.053 119.600 0.081 0.000 2.537 297 M HA 0.403 4.883 4.480 -0.000 0.000 0.324 297 M C 0.007 176.364 176.300 0.095 0.000 1.187 297 M CA -0.831 54.532 55.300 0.106 0.000 0.993 297 M CB 0.854 33.537 32.600 0.138 0.000 1.666 297 M HN 0.206 nan 8.290 nan 0.000 0.461 298 D N 1.155 121.613 120.400 0.097 0.000 2.443 298 D HA -0.076 4.564 4.640 -0.000 0.000 0.234 298 D C 0.900 177.248 176.300 0.080 0.000 1.172 298 D CA 0.093 54.141 54.000 0.079 0.000 0.878 298 D CB 0.734 41.582 40.800 0.080 0.000 1.204 298 D HN 0.354 nan 8.370 nan 0.000 0.453 299 V N 1.854 121.799 119.914 0.052 0.000 2.287 299 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 299 V C 1.295 177.420 176.094 0.052 0.000 1.053 299 V CA 1.957 64.278 62.300 0.035 0.000 1.027 299 V CB -0.186 31.645 31.823 0.013 0.000 0.646 299 V HN 0.452 nan 8.190 nan 0.000 0.447 300 D N -0.632 119.805 120.400 0.061 0.000 2.149 300 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 300 D C 2.218 178.597 176.300 0.132 0.000 0.990 300 D CA 1.891 55.935 54.000 0.074 0.000 0.839 300 D CB -0.419 40.415 40.800 0.056 0.000 0.948 300 D HN 0.459 nan 8.370 nan 0.000 0.460 301 T N 0.538 115.191 114.554 0.165 0.000 2.812 301 T HA -0.054 4.296 4.350 -0.000 0.000 0.264 301 T C 1.970 176.913 174.700 0.404 0.000 1.042 301 T CA 0.701 62.970 62.100 0.282 0.000 1.140 301 T CB 0.101 69.130 68.868 0.269 0.000 0.870 301 T HN 0.143 nan 8.240 nan 0.000 0.445 302 R N 0.996 121.660 120.500 0.273 0.000 2.096 302 R HA 0.060 4.400 4.340 -0.000 0.000 0.235 302 R C 2.718 179.079 176.300 0.103 0.000 1.127 302 R CA 1.198 57.437 56.100 0.232 0.000 0.968 302 R CB -0.359 29.929 30.300 -0.021 0.000 0.861 302 R HN 0.318 nan 8.270 nan 0.000 0.440 303 A N 0.636 123.494 122.820 0.063 0.000 1.930 303 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 303 A C 1.980 179.574 177.584 0.017 0.000 1.175 303 A CA 1.055 53.097 52.037 0.008 0.000 0.627 303 A CB -0.633 18.374 19.000 0.013 0.000 0.815 303 A HN 0.463 nan 8.150 nan 0.000 0.443 304 Y N -0.538 119.757 120.300 -0.009 0.000 2.114 304 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 304 Y C 1.862 177.675 175.900 -0.145 0.000 1.143 304 Y CA 1.943 59.973 58.100 -0.117 0.000 1.135 304 Y CB -0.623 37.700 38.460 -0.229 0.000 0.980 304 Y HN 0.232 nan 8.280 nan 0.000 0.499 305 F N 0.134 119.920 119.950 -0.274 0.000 2.293 305 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 305 F C 2.491 178.206 175.800 -0.142 0.000 1.086 305 F CA 1.820 59.605 58.000 -0.359 0.000 1.375 305 F CB -0.825 38.127 39.000 -0.080 0.000 1.045 305 F HN 0.030 nan 8.300 nan 0.000 0.516 306 T N -1.157 113.474 114.554 0.129 0.000 2.777 306 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 306 T C 2.260 176.930 174.700 -0.051 0.000 1.040 306 T CA 1.774 63.920 62.100 0.077 0.000 1.141 306 T CB -0.261 68.568 68.868 -0.065 0.000 0.868 306 T HN 0.173 nan 8.240 nan 0.000 0.444 307 S N 1.293 116.899 115.700 -0.157 0.000 2.357 307 S HA 0.072 4.542 4.470 -0.000 0.000 0.221 307 S C 2.574 177.055 174.600 -0.198 0.000 1.031 307 S CA 0.839 58.947 58.200 -0.153 0.000 0.982 307 S CB -0.520 62.588 63.200 -0.154 0.000 0.853 307 S HN 0.555 nan 8.310 nan 0.000 0.458 308 A N 1.617 124.186 122.820 -0.418 0.000 1.908 308 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 308 A C 2.309 179.788 177.584 -0.176 0.000 1.181 308 A CA 2.110 53.931 52.037 -0.361 0.000 0.627 308 A CB -1.476 17.103 19.000 -0.702 0.000 0.818 308 A HN 0.466 nan 8.150 nan 0.000 0.445 309 T N 0.023 114.498 114.554 -0.131 0.000 2.720 309 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 309 T C 1.903 176.614 174.700 0.017 0.000 1.037 309 T CA 1.938 64.045 62.100 0.012 0.000 1.144 309 T CB -0.316 68.661 68.868 0.181 0.000 0.864 309 T HN 0.461 nan 8.240 nan 0.000 0.444 310 M N 0.160 119.756 119.600 -0.007 0.000 2.175 310 M HA 0.067 4.547 4.480 -0.000 0.000 0.264 310 M C 2.126 178.436 176.300 0.017 0.000 1.063 310 M CA 1.206 56.510 55.300 0.006 0.000 1.119 310 M CB -0.477 32.119 32.600 -0.006 0.000 1.377 310 M HN 0.208 nan 8.290 nan 0.000 0.415 311 I N 0.312 120.883 120.570 0.003 0.000 2.300 311 I HA -0.352 3.818 4.170 -0.000 0.000 0.252 311 I C 2.167 178.305 176.117 0.034 0.000 1.119 311 I CA 1.434 62.748 61.300 0.024 0.000 1.384 311 I CB -0.598 37.411 38.000 0.014 0.000 1.062 311 I HN 0.337 nan 8.210 nan 0.000 0.426 312 I N 0.707 121.293 120.570 0.025 0.000 2.614 312 I HA -0.195 3.975 4.170 -0.000 0.000 0.258 312 I C 2.642 178.806 176.117 0.078 0.000 1.189 312 I CA 0.868 62.186 61.300 0.029 0.000 1.462 312 I CB -0.361 37.662 38.000 0.038 0.000 1.092 312 I HN 0.194 nan 8.210 nan 0.000 0.442 313 A N 0.979 123.850 122.820 0.085 0.000 2.066 313 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 313 A C 2.183 179.827 177.584 0.099 0.000 1.157 313 A CA 0.781 52.877 52.037 0.097 0.000 0.670 313 A CB -0.424 18.619 19.000 0.072 0.000 0.804 313 A HN 0.330 nan 8.150 nan 0.000 0.453 314 I N 0.671 121.302 120.570 0.100 0.000 2.076 314 I HA -0.177 3.993 4.170 -0.000 0.000 0.237 314 I C -0.262 175.957 176.117 0.170 0.000 1.059 314 I CA 1.713 63.100 61.300 0.146 0.000 1.317 314 I CB -1.293 36.809 38.000 0.171 0.000 1.037 314 I HN 0.226 nan 8.210 nan 0.000 0.398 315 P HA -0.111 nan 4.420 nan 0.000 0.218 315 P C 1.548 178.844 177.300 -0.007 0.000 1.149 315 P CA 1.621 64.714 63.100 -0.011 0.000 0.817 315 P CB -0.339 31.100 31.700 -0.435 0.000 0.785 316 T N -0.170 114.405 114.554 0.036 0.000 2.684 316 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 316 T C 2.200 176.865 174.700 -0.057 0.000 1.036 316 T CA 1.948 64.075 62.100 0.045 0.000 1.148 316 T CB -1.375 67.639 68.868 0.245 0.000 0.863 316 T HN 0.206 nan 8.240 nan 0.000 0.436 317 G N 1.078 109.871 108.800 -0.012 0.000 2.418 317 G HA2 -0.170 3.791 3.960 -0.000 0.000 0.217 317 G HA3 -0.170 3.791 3.960 -0.000 0.000 0.217 317 G C 1.711 176.549 174.900 -0.104 0.000 1.158 317 G CA 0.792 45.816 45.100 -0.126 0.000 0.771 317 G HN 0.436 nan 8.290 nan 0.000 0.545 318 V N 0.767 120.730 119.914 0.082 0.000 2.380 318 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 318 V C 2.824 178.849 176.094 -0.115 0.000 1.063 318 V CA 2.348 64.718 62.300 0.118 0.000 1.055 318 V CB -0.365 31.605 31.823 0.244 0.000 0.657 318 V HN 0.407 nan 8.190 nan 0.000 0.455 319 K N -0.637 119.548 120.400 -0.359 0.000 2.062 319 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 319 K C 2.100 178.056 176.600 -1.074 0.000 1.051 319 K CA 1.195 56.967 56.287 -0.859 0.000 0.941 319 K CB -0.353 31.438 32.500 -1.181 0.000 0.719 319 K HN 0.343 nan 8.250 nan 0.000 0.440 320 V N 1.238 120.753 119.914 -0.666 0.000 2.295 320 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 320 V C 2.044 178.026 176.094 -0.187 0.000 1.049 320 V CA 1.804 63.922 62.300 -0.304 0.000 1.024 320 V CB -0.572 31.109 31.823 -0.237 0.000 0.648 320 V HN 0.205 nan 8.190 nan 0.000 0.447 321 F N 0.423 120.345 119.950 -0.047 0.000 2.134 321 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 321 F C 2.688 178.432 175.800 -0.093 0.000 1.097 321 F CA 1.460 59.433 58.000 -0.044 0.000 1.264 321 F CB -0.441 38.532 39.000 -0.045 0.000 1.001 321 F HN 0.076 nan 8.300 nan 0.000 0.479 322 S N -0.845 114.865 115.700 0.016 0.000 2.399 322 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 322 S C 1.684 176.326 174.600 0.069 0.000 1.022 322 S CA 0.873 59.101 58.200 0.046 0.000 0.983 322 S CB -0.399 62.825 63.200 0.041 0.000 0.803 322 S HN 0.387 nan 8.310 nan 0.000 0.480 323 W N 1.930 123.289 121.300 0.098 0.000 2.358 323 W HA 0.054 4.714 4.660 -0.000 0.000 0.303 323 W C 1.963 178.523 176.519 0.069 0.000 1.208 323 W CA 0.256 57.652 57.345 0.086 0.000 1.274 323 W CB -1.277 28.233 29.460 0.083 0.000 1.138 323 W HN 0.303 nan 8.180 nan 0.000 0.515 324 L N 0.072 121.459 121.223 0.275 0.000 2.046 324 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 324 L C 2.550 179.462 176.870 0.070 0.000 1.077 324 L CA 1.658 56.601 54.840 0.173 0.000 0.747 324 L CB -1.383 40.785 42.059 0.182 0.000 0.896 324 L HN -0.121 nan 8.230 nan 0.000 0.432 325 A N -0.728 122.056 122.820 -0.061 0.000 2.119 325 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 325 A C 2.274 179.821 177.584 -0.062 0.000 1.153 325 A CA 1.672 53.525 52.037 -0.306 0.000 0.692 325 A CB -0.578 17.773 19.000 -1.081 0.000 0.799 325 A HN 0.392 nan 8.150 nan 0.000 0.458 326 T N 0.607 115.237 114.554 0.127 0.000 2.812 326 T HA -0.039 4.311 4.350 -0.000 0.000 0.264 326 T C 1.781 176.558 174.700 0.128 0.000 1.042 326 T CA 1.288 63.506 62.100 0.197 0.000 1.140 326 T CB -0.370 68.653 68.868 0.258 0.000 0.870 326 T HN 0.396 nan 8.240 nan 0.000 0.445 327 L N 0.349 121.640 121.223 0.114 0.000 2.079 327 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 327 L C 1.439 178.350 176.870 0.067 0.000 1.081 327 L CA 0.770 55.645 54.840 0.058 0.000 0.752 327 L CB -0.923 41.166 42.059 0.051 0.000 0.896 327 L HN 0.352 nan 8.230 nan 0.000 0.433 328 H N 0.696 119.760 119.070 -0.010 0.000 3.157 328 H HA 0.208 4.764 4.556 -0.000 0.000 0.299 328 H C 1.114 176.438 175.328 -0.007 0.000 0.961 328 H CA 0.410 56.446 56.048 -0.020 0.000 1.428 328 H CB 0.243 29.970 29.762 -0.058 0.000 1.459 328 H HN 0.310 nan 8.280 nan 0.000 0.566 329 G N 2.931 111.474 108.800 -0.428 0.000 2.179 329 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 329 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 329 G C 0.662 175.471 174.900 -0.151 0.000 0.977 329 G CA 0.257 45.150 45.100 -0.344 0.000 0.641 329 G HN 1.035 nan 8.290 nan 0.000 0.533 330 G N -0.456 108.284 108.800 -0.101 0.000 2.507 330 G HA2 0.439 4.399 3.960 -0.000 0.000 0.271 330 G HA3 0.439 4.399 3.960 -0.000 0.000 0.271 330 G C 0.048 174.898 174.900 -0.083 0.000 1.189 330 G CA 0.095 45.146 45.100 -0.082 0.000 0.859 330 G HN 0.472 nan 8.290 nan 0.000 0.542 331 N N 1.185 119.835 118.700 -0.083 0.000 2.508 331 N HA 0.035 4.775 4.740 -0.000 0.000 0.253 331 N C 0.128 175.577 175.510 -0.100 0.000 1.145 331 N CA -0.540 52.466 53.050 -0.073 0.000 0.973 331 N CB -0.046 38.399 38.487 -0.069 0.000 1.305 331 N HN 0.111 nan 8.380 nan 0.000 0.506 332 I N 2.121 122.615 120.570 -0.127 0.000 2.436 332 I HA 0.049 4.219 4.170 -0.000 0.000 0.289 332 I C 0.760 176.713 176.117 -0.275 0.000 1.083 332 I CA -0.348 60.789 61.300 -0.271 0.000 1.372 332 I CB 0.000 37.729 38.000 -0.451 0.000 1.408 332 I HN 0.393 nan 8.210 nan 0.000 0.516 333 K N 6.764 127.046 120.400 -0.196 0.000 2.267 333 K HA 0.159 4.479 4.320 -0.000 0.000 0.282 333 K C -0.673 175.829 176.600 -0.163 0.000 1.078 333 K CA -0.165 56.088 56.287 -0.057 0.000 0.903 333 K CB 0.222 32.783 32.500 0.101 0.000 1.111 333 K HN 0.368 nan 8.250 nan 0.000 0.475 334 W N 4.879 126.155 121.300 -0.040 0.000 1.435 334 W HA 0.073 4.733 4.660 -0.000 0.000 0.471 334 W C 0.264 176.683 176.519 -0.167 0.000 0.590 334 W CA -0.512 56.762 57.345 -0.118 0.000 2.419 334 W CB -0.484 28.915 29.460 -0.102 0.000 1.251 334 W HN 0.551 nan 8.180 nan 0.000 0.338 335 S N 0.380 116.003 115.700 -0.128 0.000 2.600 335 S HA 0.231 4.701 4.470 -0.000 0.000 0.265 335 S C -1.081 173.371 174.600 -0.247 0.000 1.325 335 S CA -1.156 56.923 58.200 -0.202 0.000 1.002 335 S CB 1.339 64.276 63.200 -0.439 0.000 0.921 335 S HN 0.033 nan 8.310 nan 0.000 0.554 336 P HA -0.085 nan 4.420 nan 0.000 0.216 336 P C 1.516 178.750 177.300 -0.110 0.000 1.150 336 P CA 1.843 64.877 63.100 -0.110 0.000 0.837 336 P CB -0.414 31.346 31.700 0.100 0.000 0.786 337 A N -0.368 122.358 122.820 -0.157 0.000 1.940 337 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 337 A C 2.305 179.716 177.584 -0.289 0.000 1.176 337 A CA 2.323 54.285 52.037 -0.125 0.000 0.631 337 A CB -1.442 17.445 19.000 -0.188 0.000 0.814 337 A HN 0.097 nan 8.150 nan 0.000 0.446 338 M N -0.477 118.743 119.600 -0.634 0.000 2.108 338 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 338 M C 2.072 178.172 176.300 -0.333 0.000 1.066 338 M CA 1.855 56.879 55.300 -0.460 0.000 1.107 338 M CB -0.664 31.618 32.600 -0.529 0.000 1.356 338 M HN 0.443 nan 8.290 nan 0.000 0.406 339 M N -2.244 117.075 119.600 -0.467 0.000 2.175 339 M HA -0.196 4.284 4.480 -0.000 0.000 0.264 339 M C 1.905 177.690 176.300 -0.858 0.000 1.063 339 M CA 1.642 56.472 55.300 -0.783 0.000 1.119 339 M CB -0.568 31.227 32.600 -1.342 0.000 1.377 339 M HN 0.351 nan 8.290 nan 0.000 0.415 340 W N 0.343 121.325 121.300 -0.531 0.000 2.321 340 W HA -0.208 4.452 4.660 -0.000 0.000 0.306 340 W C 2.679 179.332 176.519 0.223 0.000 1.217 340 W CA 1.472 58.823 57.345 0.009 0.000 1.257 340 W CB -0.471 28.988 29.460 -0.002 0.000 1.145 340 W HN 0.215 nan 8.180 nan 0.000 0.509 341 A N -0.500 122.450 122.820 0.217 0.000 1.968 341 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 341 A C 1.904 179.611 177.584 0.206 0.000 1.169 341 A CA 1.086 53.198 52.037 0.126 0.000 0.638 341 A CB -0.767 18.186 19.000 -0.079 0.000 0.812 341 A HN 0.294 nan 8.150 nan 0.000 0.446 342 L N -0.943 120.368 121.223 0.145 0.000 2.095 342 L HA -0.012 4.328 4.340 -0.000 0.000 0.204 342 L C 2.833 179.919 176.870 0.360 0.000 1.080 342 L CA 0.889 55.842 54.840 0.188 0.000 0.759 342 L CB -0.808 41.299 42.059 0.080 0.000 0.914 342 L HN 0.451 nan 8.230 nan 0.000 0.439 343 G N 0.113 109.199 108.800 0.477 0.000 2.440 343 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 343 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 343 G C 1.529 176.800 174.900 0.619 0.000 1.154 343 G CA 0.856 46.405 45.100 0.748 0.000 0.767 343 G HN 0.321 nan 8.290 nan 0.000 0.552 344 F N 1.270 121.520 119.950 0.500 0.000 2.095 344 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 344 F C 2.480 178.446 175.800 0.277 0.000 1.104 344 F CA 1.519 59.715 58.000 0.325 0.000 1.232 344 F CB -0.149 38.988 39.000 0.229 0.000 0.987 344 F HN 0.112 nan 8.300 nan 0.000 0.475 345 I N -0.795 120.054 120.570 0.465 0.000 2.226 345 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 345 I C 2.286 178.609 176.117 0.344 0.000 1.100 345 I CA 1.280 62.822 61.300 0.405 0.000 1.374 345 I CB -0.555 37.687 38.000 0.404 0.000 1.057 345 I HN 0.236 nan 8.210 nan 0.000 0.413 346 F N 1.541 121.616 119.950 0.209 0.000 2.113 346 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 346 F C 2.157 178.039 175.800 0.138 0.000 1.103 346 F CA 1.608 59.718 58.000 0.184 0.000 1.248 346 F CB -0.390 38.752 39.000 0.236 0.000 0.999 346 F HN -0.135 nan 8.300 nan 0.000 0.475 347 L N -1.172 119.996 121.223 -0.092 0.000 2.093 347 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 347 L C 2.467 179.231 176.870 -0.177 0.000 1.085 347 L CA 1.390 56.110 54.840 -0.200 0.000 0.755 347 L CB -0.977 40.954 42.059 -0.214 0.000 0.904 347 L HN 0.201 nan 8.230 nan 0.000 0.435 348 F N 0.999 120.727 119.950 -0.370 0.000 2.095 348 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 348 F C 2.472 178.168 175.800 -0.174 0.000 1.104 348 F CA 2.141 59.927 58.000 -0.356 0.000 1.232 348 F CB -0.259 38.358 39.000 -0.639 0.000 0.987 348 F HN -0.060 nan 8.300 nan 0.000 0.475 349 T N 0.243 114.713 114.554 -0.139 0.000 2.684 349 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 349 T C 2.109 176.627 174.700 -0.304 0.000 1.036 349 T CA 1.696 63.687 62.100 -0.181 0.000 1.148 349 T CB -0.707 68.161 68.868 0.001 0.000 0.863 349 T HN 0.143 nan 8.240 nan 0.000 0.436 350 V N 1.407 121.068 119.914 -0.422 0.000 2.282 350 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 350 V C 2.845 178.707 176.094 -0.386 0.000 1.057 350 V CA 2.142 64.159 62.300 -0.473 0.000 1.032 350 V CB -1.339 30.055 31.823 -0.714 0.000 0.645 350 V HN 0.623 nan 8.190 nan 0.000 0.447 351 G N -0.461 108.141 108.800 -0.330 0.000 2.408 351 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.217 351 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.217 351 G C 1.602 176.436 174.900 -0.110 0.000 1.150 351 G CA 0.822 45.808 45.100 -0.190 0.000 0.776 351 G HN 0.596 nan 8.290 nan 0.000 0.542 352 G N 0.857 109.447 108.800 -0.350 0.000 2.422 352 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 352 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 352 G C 1.780 176.598 174.900 -0.137 0.000 1.146 352 G CA 0.649 45.572 45.100 -0.295 0.000 0.769 352 G HN 0.417 nan 8.290 nan 0.000 0.547 353 L N 1.057 122.184 121.223 -0.159 0.000 2.072 353 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 353 L C 3.362 180.180 176.870 -0.087 0.000 1.079 353 L CA 1.669 56.444 54.840 -0.108 0.000 0.752 353 L CB -0.891 41.100 42.059 -0.112 0.000 0.906 353 L HN 0.402 nan 8.230 nan 0.000 0.436 354 T N -2.931 111.562 114.554 -0.102 0.000 2.849 354 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 354 T C 1.910 176.534 174.700 -0.125 0.000 1.066 354 T CA 1.032 63.104 62.100 -0.046 0.000 1.130 354 T CB -0.875 67.880 68.868 -0.188 0.000 0.864 354 T HN 0.404 nan 8.240 nan 0.000 0.481 355 G N 2.108 110.735 108.800 -0.288 0.000 2.421 355 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 355 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 355 G C 1.484 176.224 174.900 -0.266 0.000 1.171 355 G CA 0.778 45.504 45.100 -0.624 0.000 0.775 355 G HN 0.454 nan 8.290 nan 0.000 0.543 356 I N 1.042 121.534 120.570 -0.129 0.000 2.194 356 I HA -0.156 4.014 4.170 -0.000 0.000 0.246 356 I C 2.979 179.055 176.117 -0.069 0.000 1.093 356 I CA 0.772 62.028 61.300 -0.074 0.000 1.355 356 I CB -1.251 36.725 38.000 -0.039 0.000 1.046 356 I HN 0.038 nan 8.210 nan 0.000 0.413 357 V N 0.892 120.776 119.914 -0.050 0.000 2.295 357 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 357 V C 2.560 178.603 176.094 -0.085 0.000 1.049 357 V CA 1.495 63.768 62.300 -0.046 0.000 1.024 357 V CB -0.524 31.314 31.823 0.026 0.000 0.648 357 V HN 0.335 nan 8.190 nan 0.000 0.447 358 L N 0.025 121.194 121.223 -0.089 0.000 2.362 358 L HA -0.094 4.246 4.340 -0.000 0.000 0.219 358 L C 2.509 179.334 176.870 -0.074 0.000 1.134 358 L CA 1.096 55.872 54.840 -0.107 0.000 0.807 358 L CB -0.624 41.339 42.059 -0.161 0.000 0.927 358 L HN 0.351 nan 8.230 nan 0.000 0.447 359 A N -0.741 122.031 122.820 -0.079 0.000 2.014 359 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 359 A C 0.954 178.560 177.584 0.038 0.000 1.163 359 A CA 0.475 52.518 52.037 0.010 0.000 0.652 359 A CB -0.354 18.639 19.000 -0.012 0.000 0.808 359 A HN 0.366 nan 8.150 nan 0.000 0.449 360 N N 1.409 120.069 118.700 -0.066 0.000 2.406 360 N HA 0.046 4.786 4.740 -0.000 0.000 0.265 360 N C 1.303 176.654 175.510 -0.265 0.000 1.203 360 N CA 0.742 53.703 53.050 -0.148 0.000 0.945 360 N CB 1.144 39.558 38.487 -0.121 0.000 1.165 360 N HN 0.533 nan 8.380 nan 0.000 0.485 361 S N 1.565 116.930 115.700 -0.559 0.000 2.387 361 S HA -0.194 4.276 4.470 -0.000 0.000 0.230 361 S C 1.901 176.239 174.600 -0.437 0.000 1.035 361 S CA 1.282 58.908 58.200 -0.957 0.000 1.014 361 S CB -0.137 62.096 63.200 -1.612 0.000 0.836 361 S HN 0.426 nan 8.310 nan 0.000 0.466 362 S N 1.548 117.069 115.700 -0.299 0.000 2.365 362 S HA 0.031 4.501 4.470 -0.000 0.000 0.225 362 S C 1.768 176.287 174.600 -0.136 0.000 1.039 362 S CA 1.600 59.694 58.200 -0.176 0.000 1.033 362 S CB -0.534 62.583 63.200 -0.139 0.000 0.887 362 S HN 0.506 nan 8.310 nan 0.000 0.447 363 L N 0.502 121.639 121.223 -0.144 0.000 2.209 363 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 363 L C 2.168 178.971 176.870 -0.112 0.000 1.094 363 L CA 1.073 55.836 54.840 -0.128 0.000 0.790 363 L CB -0.340 41.632 42.059 -0.146 0.000 0.932 363 L HN 0.279 nan 8.230 nan 0.000 0.447 364 D N 0.123 120.469 120.400 -0.091 0.000 2.178 364 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 364 D C 2.176 178.509 176.300 0.054 0.000 0.980 364 D CA 0.845 54.848 54.000 0.006 0.000 0.842 364 D CB 0.232 41.119 40.800 0.144 0.000 0.948 364 D HN 0.073 nan 8.370 nan 0.000 0.472 365 I N 0.444 121.016 120.570 0.003 0.000 2.113 365 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 365 I C 2.328 178.473 176.117 0.046 0.000 1.057 365 I CA 1.001 62.319 61.300 0.030 0.000 1.314 365 I CB -1.281 36.712 38.000 -0.011 0.000 1.022 365 I HN 0.094 nan 8.210 nan 0.000 0.408 366 V N 0.174 120.087 119.914 -0.002 0.000 2.719 366 V HA -0.111 4.009 4.120 -0.000 0.000 0.252 366 V C 2.288 178.369 176.094 -0.021 0.000 1.065 366 V CA 1.013 63.306 62.300 -0.011 0.000 1.086 366 V CB -0.204 31.595 31.823 -0.040 0.000 0.700 366 V HN 0.334 nan 8.190 nan 0.000 0.467 367 L N -1.579 119.623 121.223 -0.035 0.000 2.515 367 L HA 0.236 4.576 4.340 -0.000 0.000 0.223 367 L C 1.188 178.063 176.870 0.008 0.000 1.079 367 L CA -0.116 54.684 54.840 -0.066 0.000 0.857 367 L CB -0.216 41.719 42.059 -0.207 0.000 1.050 367 L HN 0.357 nan 8.230 nan 0.000 0.476 368 H N 1.435 120.504 119.070 -0.003 0.000 3.092 368 H HA -0.143 4.413 4.556 -0.000 0.000 0.332 368 H C 0.424 175.766 175.328 0.023 0.000 1.029 368 H CA 0.768 56.832 56.048 0.027 0.000 1.376 368 H CB 0.107 29.898 29.762 0.049 0.000 1.329 368 H HN 0.132 nan 8.280 nan 0.000 0.598 369 D N 2.080 121.969 120.400 -0.851 0.000 2.811 369 D HA -0.215 4.425 4.640 -0.000 0.000 0.231 369 D C -0.318 175.823 176.300 -0.265 0.000 1.157 369 D CA 1.414 55.093 54.000 -0.535 0.000 0.716 369 D CB -0.784 39.748 40.800 -0.447 0.000 1.077 369 D HN 0.752 nan 8.370 nan 0.000 0.428 370 T N -4.172 110.267 114.554 -0.192 0.000 2.910 370 T HA 0.414 4.764 4.350 -0.000 0.000 0.287 370 T C 1.026 175.641 174.700 -0.143 0.000 1.050 370 T CA -0.729 61.293 62.100 -0.131 0.000 1.011 370 T CB 1.044 69.886 68.868 -0.044 0.000 1.195 370 T HN -0.053 nan 8.240 nan 0.000 0.540 371 Y N -0.571 119.669 120.300 -0.100 0.000 2.574 371 Y HA 0.034 4.584 4.550 -0.000 0.000 0.294 371 Y C 2.016 177.846 175.900 -0.118 0.000 1.142 371 Y CA 0.879 58.912 58.100 -0.113 0.000 1.314 371 Y CB -0.424 37.945 38.460 -0.152 0.000 0.991 371 Y HN 0.831 nan 8.280 nan 0.000 0.555 372 Y N -0.918 119.329 120.300 -0.088 0.000 2.224 372 Y HA -0.240 4.310 4.550 -0.000 0.000 0.289 372 Y C 2.173 177.997 175.900 -0.128 0.000 1.146 372 Y CA 1.392 59.419 58.100 -0.121 0.000 1.182 372 Y CB -0.263 38.155 38.460 -0.069 0.000 0.983 372 Y HN -0.100 nan 8.280 nan 0.000 0.524 373 V N -1.255 118.715 119.914 0.094 0.000 2.358 373 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 373 V C 2.242 178.257 176.094 -0.132 0.000 1.047 373 V CA 1.646 64.007 62.300 0.102 0.000 1.035 373 V CB -0.724 31.185 31.823 0.144 0.000 0.658 373 V HN 0.293 nan 8.190 nan 0.000 0.452 374 V N 0.463 120.161 119.914 -0.360 0.000 2.407 374 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 374 V C 2.707 178.386 176.094 -0.692 0.000 1.055 374 V CA 1.998 63.818 62.300 -0.800 0.000 1.049 374 V CB -1.185 30.292 31.823 -0.577 0.000 0.662 374 V HN 0.558 nan 8.190 nan 0.000 0.455 375 A N -0.097 122.438 122.820 -0.474 0.000 1.877 375 A HA -0.308 4.012 4.320 -0.000 0.000 0.216 375 A C 2.144 179.466 177.584 -0.437 0.000 1.186 375 A CA 2.343 54.033 52.037 -0.578 0.000 0.620 375 A CB -0.895 17.418 19.000 -1.145 0.000 0.822 375 A HN 0.751 nan 8.150 nan 0.000 0.443 376 H N 0.210 118.992 119.070 -0.480 0.000 2.289 376 H HA -0.224 4.332 4.556 -0.000 0.000 0.296 376 H C 1.612 176.829 175.328 -0.185 0.000 1.091 376 H CA 2.500 58.380 56.048 -0.280 0.000 1.274 376 H CB -0.727 28.948 29.762 -0.146 0.000 1.364 376 H HN 0.622 nan 8.280 nan 0.000 0.490 377 F N -1.970 117.704 119.950 -0.460 0.000 2.664 377 F HA 0.178 4.705 4.527 -0.000 0.000 0.296 377 F C 1.837 177.262 175.800 -0.624 0.000 1.125 377 F CA 0.289 57.898 58.000 -0.650 0.000 1.444 377 F CB -0.531 38.187 39.000 -0.470 0.000 1.114 377 F HN 0.127 nan 8.300 nan 0.000 0.576 378 H N -1.181 117.440 119.070 -0.749 0.000 2.462 378 H HA -0.011 4.545 4.556 -0.000 0.000 0.292 378 H C 1.343 176.214 175.328 -0.761 0.000 1.049 378 H CA 2.080 57.576 56.048 -0.920 0.000 1.334 378 H CB -0.300 28.325 29.762 -1.895 0.000 1.404 378 H HN 0.296 nan 8.280 nan 0.000 0.544 379 Y N -0.095 119.913 120.300 -0.487 0.000 2.114 379 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 379 Y C 2.626 178.327 175.900 -0.331 0.000 1.119 379 Y CA 1.482 59.364 58.100 -0.363 0.000 1.108 379 Y CB -0.545 37.733 38.460 -0.305 0.000 0.995 379 Y HN 0.079 nan 8.280 nan 0.000 0.491 380 V N -1.708 118.075 119.914 -0.218 0.000 2.358 380 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 380 V C 1.911 177.959 176.094 -0.075 0.000 1.047 380 V CA 1.721 63.896 62.300 -0.209 0.000 1.035 380 V CB -1.046 30.574 31.823 -0.340 0.000 0.658 380 V HN 0.366 nan 8.190 nan 0.000 0.452 381 L N 0.593 121.708 121.223 -0.179 0.000 2.276 381 L HA 0.239 4.579 4.340 -0.000 0.000 0.194 381 L C 2.463 179.259 176.870 -0.125 0.000 1.099 381 L CA 2.106 56.858 54.840 -0.147 0.000 0.800 381 L CB -0.696 41.223 42.059 -0.234 0.000 0.994 381 L HN 0.250 nan 8.230 nan 0.000 0.475 382 S N 0.228 115.804 115.700 -0.207 0.000 2.380 382 S HA -0.229 4.241 4.470 -0.000 0.000 0.217 382 S C 1.954 176.537 174.600 -0.030 0.000 1.036 382 S CA 2.202 60.307 58.200 -0.157 0.000 1.050 382 S CB -0.575 62.486 63.200 -0.232 0.000 1.016 382 S HN 0.434 nan 8.310 nan 0.000 0.419 383 M N 1.079 120.622 119.600 -0.093 0.000 2.082 383 M HA -0.126 4.354 4.480 -0.000 0.000 0.258 383 M C 2.487 178.839 176.300 0.087 0.000 1.069 383 M CA 1.664 56.956 55.300 -0.013 0.000 1.102 383 M CB -1.178 31.208 32.600 -0.356 0.000 1.336 383 M HN 0.542 nan 8.290 nan 0.000 0.404 384 G N 0.025 108.831 108.800 0.011 0.000 2.514 384 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 384 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 384 G C 1.591 176.790 174.900 0.499 0.000 1.198 384 G CA 1.363 46.554 45.100 0.151 0.000 0.780 384 G HN 0.565 nan 8.290 nan 0.000 0.565 385 A N -0.095 122.893 122.820 0.280 0.000 1.873 385 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 385 A C 2.657 180.386 177.584 0.242 0.000 1.193 385 A CA 2.353 54.514 52.037 0.206 0.000 0.629 385 A CB -0.958 18.077 19.000 0.060 0.000 0.826 385 A HN 0.356 nan 8.150 nan 0.000 0.447 386 V N -1.376 118.703 119.914 0.275 0.000 2.343 386 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 386 V C 2.346 178.633 176.094 0.321 0.000 1.051 386 V CA 2.173 64.638 62.300 0.274 0.000 1.036 386 V CB -0.882 31.139 31.823 0.330 0.000 0.654 386 V HN 0.610 nan 8.190 nan 0.000 0.451 387 F N 0.198 120.326 119.950 0.297 0.000 2.146 387 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 387 F C 2.457 178.430 175.800 0.289 0.000 1.096 387 F CA 1.114 59.398 58.000 0.473 0.000 1.275 387 F CB -0.453 38.977 39.000 0.717 0.000 1.008 387 F HN 0.122 nan 8.300 nan 0.000 0.480 388 A N 0.270 123.329 122.820 0.398 0.000 1.933 388 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 388 A C 2.109 179.666 177.584 -0.045 0.000 1.175 388 A CA 1.389 53.436 52.037 0.016 0.000 0.628 388 A CB -0.979 17.918 19.000 -0.173 0.000 0.814 388 A HN 0.404 nan 8.150 nan 0.000 0.444 389 I N -0.890 119.695 120.570 0.025 0.000 2.252 389 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 389 I C 2.514 178.637 176.117 0.011 0.000 1.102 389 I CA 1.029 62.361 61.300 0.054 0.000 1.385 389 I CB -0.183 37.907 38.000 0.151 0.000 1.064 389 I HN 0.238 nan 8.210 nan 0.000 0.414 390 M N 0.136 119.570 119.600 -0.277 0.000 2.175 390 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 390 M C 2.385 178.318 176.300 -0.611 0.000 1.063 390 M CA 1.638 56.521 55.300 -0.696 0.000 1.119 390 M CB -1.963 29.436 32.600 -2.002 0.000 1.377 390 M HN 0.284 nan 8.290 nan 0.000 0.415 391 G N -0.294 108.278 108.800 -0.380 0.000 2.421 391 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.216 391 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.216 391 G C 1.598 176.474 174.900 -0.039 0.000 1.171 391 G CA 1.072 46.134 45.100 -0.062 0.000 0.775 391 G HN 0.545 nan 8.290 nan 0.000 0.543 392 G N 0.229 108.995 108.800 -0.056 0.000 2.418 392 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 392 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 392 G C 1.636 176.791 174.900 0.425 0.000 1.158 392 G CA 0.904 46.021 45.100 0.030 0.000 0.771 392 G HN 0.356 nan 8.290 nan 0.000 0.545 393 F N 1.734 121.905 119.950 0.368 0.000 2.102 393 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 393 F C 2.734 178.666 175.800 0.220 0.000 1.105 393 F CA 1.940 60.209 58.000 0.448 0.000 1.239 393 F CB -0.344 38.831 39.000 0.291 0.000 0.991 393 F HN 0.070 nan 8.300 nan 0.000 0.474 394 V N -1.184 118.814 119.914 0.139 0.000 2.427 394 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 394 V C 2.414 178.518 176.094 0.017 0.000 1.051 394 V CA 2.414 64.740 62.300 0.044 0.000 1.048 394 V CB -1.306 30.618 31.823 0.168 0.000 0.666 394 V HN 0.508 nan 8.190 nan 0.000 0.456 395 H N -0.861 118.144 119.070 -0.109 0.000 2.353 395 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 395 H C 1.787 176.965 175.328 -0.251 0.000 1.090 395 H CA 2.532 58.436 56.048 -0.240 0.000 1.327 395 H CB -0.189 29.234 29.762 -0.564 0.000 1.383 395 H HN 0.601 nan 8.280 nan 0.000 0.508 396 W N -0.761 120.354 121.300 -0.308 0.000 3.177 396 W HA 0.072 4.732 4.660 -0.000 0.000 0.309 396 W C 1.591 177.423 176.519 -1.145 0.000 1.224 396 W CA -0.363 56.455 57.345 -0.878 0.000 1.718 396 W CB -0.851 27.922 29.460 -1.145 0.000 1.078 396 W HN 0.181 nan 8.180 nan 0.000 0.618 397 F N 2.957 122.475 119.950 -0.719 0.000 2.063 397 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 397 F C -0.755 174.749 175.800 -0.493 0.000 1.105 397 F CA 2.281 59.847 58.000 -0.724 0.000 1.215 397 F CB -1.432 37.103 39.000 -0.774 0.000 0.972 397 F HN -0.255 nan 8.300 nan 0.000 0.483 398 P HA -0.174 nan 4.420 nan 0.000 0.217 398 P C 1.831 178.939 177.300 -0.320 0.000 1.150 398 P CA 1.389 64.346 63.100 -0.237 0.000 0.832 398 P CB -0.145 31.595 31.700 0.067 0.000 0.787 399 L N -1.523 119.405 121.223 -0.491 0.000 2.017 399 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 399 L C 1.970 178.468 176.870 -0.619 0.000 1.073 399 L CA 2.084 56.482 54.840 -0.737 0.000 0.745 399 L CB -1.226 39.954 42.059 -1.464 0.000 0.894 399 L HN -0.159 nan 8.230 nan 0.000 0.432 400 F N -0.577 118.865 119.950 -0.847 0.000 2.259 400 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 400 F C 2.763 178.216 175.800 -0.578 0.000 1.088 400 F CA 0.910 58.266 58.000 -1.074 0.000 1.358 400 F CB -1.488 36.778 39.000 -1.224 0.000 1.040 400 F HN 0.380 nan 8.300 nan 0.000 0.505 401 S N -1.415 113.960 115.700 -0.541 0.000 2.497 401 S HA 0.381 4.851 4.470 -0.000 0.000 0.218 401 S C 1.839 176.115 174.600 -0.540 0.000 1.023 401 S CA 0.472 58.387 58.200 -0.475 0.000 0.913 401 S CB 0.116 62.717 63.200 -0.998 0.000 0.800 401 S HN 0.503 nan 8.310 nan 0.000 0.505 402 G N 0.229 108.718 108.800 -0.520 0.000 2.148 402 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 402 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 402 G C -0.253 174.364 174.900 -0.472 0.000 0.981 402 G CA 0.594 45.419 45.100 -0.458 0.000 0.670 402 G HN 0.550 nan 8.290 nan 0.000 0.528 403 Y N 0.386 120.540 120.300 -0.244 0.000 2.562 403 Y HA 0.694 5.244 4.550 -0.000 0.000 0.343 403 Y C 0.929 176.813 175.900 -0.027 0.000 1.025 403 Y CA -0.640 57.384 58.100 -0.127 0.000 1.082 403 Y CB 1.631 40.001 38.460 -0.149 0.000 1.264 403 Y HN 0.303 nan 8.280 nan 0.000 0.478 404 T N -0.261 114.423 114.554 0.216 0.000 2.934 404 T HA 0.744 5.094 4.350 -0.000 0.000 0.283 404 T C -0.311 174.479 174.700 0.150 0.000 1.005 404 T CA -0.861 61.339 62.100 0.167 0.000 1.041 404 T CB 0.862 69.789 68.868 0.098 0.000 1.042 404 T HN 0.460 nan 8.240 nan 0.000 0.505 405 L N 1.775 123.056 121.223 0.096 0.000 2.439 405 L HA 0.399 4.739 4.340 -0.000 0.000 0.259 405 L C 1.096 177.994 176.870 0.047 0.000 1.129 405 L CA -1.089 53.742 54.840 -0.015 0.000 0.803 405 L CB 0.507 42.532 42.059 -0.057 0.000 1.161 405 L HN 0.721 nan 8.230 nan 0.000 0.462 406 N N 0.836 119.582 118.700 0.076 0.000 2.401 406 N HA -0.029 4.711 4.740 -0.000 0.000 0.255 406 N C 0.078 175.697 175.510 0.181 0.000 1.110 406 N CA -0.119 53.028 53.050 0.161 0.000 0.949 406 N CB 1.162 39.833 38.487 0.307 0.000 1.110 406 N HN 0.546 nan 8.380 nan 0.000 0.490 407 D N 2.443 122.917 120.400 0.123 0.000 2.133 407 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 407 D C 1.275 177.644 176.300 0.115 0.000 0.997 407 D CA 1.647 55.714 54.000 0.111 0.000 0.840 407 D CB 0.104 40.948 40.800 0.073 0.000 0.947 407 D HN 0.578 nan 8.370 nan 0.000 0.452 408 T N -0.731 113.866 114.554 0.073 0.000 2.674 408 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 408 T C 1.768 176.520 174.700 0.086 0.000 1.039 408 T CA 1.190 63.295 62.100 0.009 0.000 1.150 408 T CB -0.688 68.109 68.868 -0.120 0.000 0.864 408 T HN 0.346 nan 8.240 nan 0.000 0.427 409 W N 1.321 122.699 121.300 0.130 0.000 2.342 409 W HA -0.077 4.583 4.660 -0.000 0.000 0.297 409 W C 2.879 179.529 176.519 0.218 0.000 1.213 409 W CA 0.555 58.010 57.345 0.184 0.000 1.251 409 W CB -0.344 29.239 29.460 0.205 0.000 1.136 409 W HN 0.254 nan 8.180 nan 0.000 0.526 410 A N 0.413 123.489 122.820 0.427 0.000 1.902 410 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 410 A C 1.847 179.668 177.584 0.395 0.000 1.181 410 A CA 1.886 54.177 52.037 0.423 0.000 0.623 410 A CB -0.612 18.574 19.000 0.311 0.000 0.818 410 A HN 0.301 nan 8.150 nan 0.000 0.443 411 K N -0.469 120.079 120.400 0.248 0.000 2.057 411 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 411 K C 1.795 178.519 176.600 0.206 0.000 1.050 411 K CA 1.395 57.779 56.287 0.162 0.000 0.935 411 K CB -0.392 32.151 32.500 0.070 0.000 0.715 411 K HN 0.494 nan 8.250 nan 0.000 0.439 412 I N 0.930 121.631 120.570 0.218 0.000 2.151 412 I HA -0.383 3.787 4.170 -0.000 0.000 0.243 412 I C 2.739 179.032 176.117 0.293 0.000 1.080 412 I CA 1.589 63.028 61.300 0.230 0.000 1.339 412 I CB -0.480 37.688 38.000 0.282 0.000 1.039 412 I HN 0.371 nan 8.210 nan 0.000 0.409 413 H N 0.626 119.878 119.070 0.303 0.000 2.293 413 H HA -0.282 4.274 4.556 -0.000 0.000 0.300 413 H C 2.356 177.821 175.328 0.228 0.000 1.082 413 H CA 2.237 58.469 56.048 0.306 0.000 1.308 413 H CB -0.269 29.724 29.762 0.385 0.000 1.375 413 H HN 0.302 nan 8.280 nan 0.000 0.495 414 F N 1.744 121.504 119.950 -0.317 0.000 2.063 414 F HA -0.297 4.230 4.527 -0.000 0.000 0.298 414 F C 2.676 178.245 175.800 -0.385 0.000 1.109 414 F CA 2.170 59.693 58.000 -0.796 0.000 1.212 414 F CB -0.933 37.516 39.000 -0.919 0.000 0.973 414 F HN 0.278 nan 8.300 nan 0.000 0.480 415 A N 0.636 123.293 122.820 -0.272 0.000 1.877 415 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 415 A C 2.317 179.809 177.584 -0.154 0.000 1.186 415 A CA 2.108 54.005 52.037 -0.232 0.000 0.620 415 A CB -1.297 17.704 19.000 0.002 0.000 0.822 415 A HN 0.524 nan 8.150 nan 0.000 0.443 416 I N -1.518 119.025 120.570 -0.045 0.000 2.179 416 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 416 I C 2.647 178.764 176.117 -0.000 0.000 1.088 416 I CA 1.905 63.220 61.300 0.025 0.000 1.357 416 I CB -0.287 37.780 38.000 0.111 0.000 1.051 416 I HN 0.372 nan 8.210 nan 0.000 0.409 417 M N 0.419 119.985 119.600 -0.056 0.000 2.108 417 M HA -0.263 4.217 4.480 -0.000 0.000 0.261 417 M C 2.085 178.410 176.300 0.043 0.000 1.066 417 M CA 1.949 57.249 55.300 0.001 0.000 1.107 417 M CB -0.625 31.952 32.600 -0.038 0.000 1.356 417 M HN 0.207 nan 8.290 nan 0.000 0.406 418 F N -0.560 119.222 119.950 -0.280 0.000 2.146 418 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 418 F C 1.890 177.659 175.800 -0.052 0.000 1.096 418 F CA 1.562 59.471 58.000 -0.151 0.000 1.275 418 F CB -0.525 38.141 39.000 -0.556 0.000 1.008 418 F HN -0.034 nan 8.300 nan 0.000 0.480 419 V N 0.408 120.330 119.914 0.013 0.000 2.255 419 V HA -0.290 3.829 4.120 -0.000 0.000 0.247 419 V C 2.769 178.831 176.094 -0.054 0.000 1.051 419 V CA 2.107 64.398 62.300 -0.015 0.000 1.018 419 V CB -1.724 30.120 31.823 0.035 0.000 0.641 419 V HN 0.526 nan 8.190 nan 0.000 0.445 420 G N 0.353 109.143 108.800 -0.017 0.000 2.446 420 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 420 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 420 G C 1.730 176.586 174.900 -0.073 0.000 1.168 420 G CA 1.680 46.768 45.100 -0.019 0.000 0.771 420 G HN 0.603 nan 8.290 nan 0.000 0.551 421 V N -0.950 118.943 119.914 -0.036 0.000 2.515 421 V HA -0.092 4.028 4.120 -0.000 0.000 0.250 421 V C 2.202 178.213 176.094 -0.138 0.000 1.058 421 V CA 1.945 64.225 62.300 -0.033 0.000 1.064 421 V CB -0.574 31.318 31.823 0.115 0.000 0.675 421 V HN 0.254 nan 8.190 nan 0.000 0.461 422 N N 0.260 118.839 118.700 -0.201 0.000 2.171 422 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 422 N C 1.856 177.355 175.510 -0.018 0.000 1.021 422 N CA 1.983 54.959 53.050 -0.123 0.000 0.854 422 N CB -0.215 38.131 38.487 -0.235 0.000 0.994 422 N HN 0.580 nan 8.380 nan 0.000 0.426 423 M N 1.041 120.603 119.600 -0.063 0.000 2.108 423 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 423 M C 1.756 177.989 176.300 -0.112 0.000 1.066 423 M CA 1.429 56.706 55.300 -0.038 0.000 1.107 423 M CB -0.187 32.395 32.600 -0.029 0.000 1.356 423 M HN 0.009 nan 8.290 nan 0.000 0.406 424 T N 0.190 114.581 114.554 -0.272 0.000 2.643 424 T HA -0.131 4.219 4.350 -0.000 0.000 0.264 424 T C 1.272 175.613 174.700 -0.597 0.000 1.045 424 T CA 1.934 63.701 62.100 -0.555 0.000 1.155 424 T CB -0.453 67.808 68.868 -1.013 0.000 0.863 424 T HN 0.440 nan 8.240 nan 0.000 0.420 425 F N -0.782 119.075 119.950 -0.156 0.000 2.582 425 F HA 0.311 4.838 4.527 -0.000 0.000 0.290 425 F C 1.867 177.600 175.800 -0.111 0.000 1.115 425 F CA -0.423 57.456 58.000 -0.203 0.000 1.445 425 F CB -0.274 38.518 39.000 -0.347 0.000 1.126 425 F HN 0.008 nan 8.300 nan 0.000 0.574 426 F N 2.499 122.507 119.950 0.097 0.000 2.095 426 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 426 F C -0.780 174.838 175.800 -0.304 0.000 1.104 426 F CA 1.468 59.506 58.000 0.064 0.000 1.232 426 F CB -1.673 37.334 39.000 0.011 0.000 0.987 426 F HN -0.154 nan 8.300 nan 0.000 0.475 427 P HA -0.170 nan 4.420 nan 0.000 0.223 427 P C 1.088 178.040 177.300 -0.580 0.000 1.144 427 P CA 1.517 64.281 63.100 -0.561 0.000 0.783 427 P CB -0.200 31.456 31.700 -0.073 0.000 0.771 428 Q N -1.792 117.742 119.800 -0.443 0.000 2.291 428 Q HA -0.180 4.160 4.340 -0.000 0.000 0.205 428 Q C 1.740 177.493 176.000 -0.411 0.000 0.970 428 Q CA 1.078 56.676 55.803 -0.342 0.000 0.876 428 Q CB -0.645 28.007 28.738 -0.142 0.000 0.935 428 Q HN 0.521 nan 8.270 nan 0.000 0.455 429 H N -0.664 118.009 119.070 -0.661 0.000 2.352 429 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 429 H C 1.428 176.572 175.328 -0.307 0.000 1.097 429 H CA 1.629 57.300 56.048 -0.629 0.000 1.311 429 H CB -0.009 29.116 29.762 -1.062 0.000 1.377 429 H HN 0.210 nan 8.280 nan 0.000 0.504 430 F N 0.207 120.003 119.950 -0.257 0.000 2.146 430 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 430 F C 2.220 177.996 175.800 -0.039 0.000 1.096 430 F CA 0.673 58.529 58.000 -0.241 0.000 1.275 430 F CB -1.012 37.546 39.000 -0.737 0.000 1.008 430 F HN 0.073 nan 8.300 nan 0.000 0.480 431 L N -0.120 121.162 121.223 0.098 0.000 2.043 431 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 431 L C 2.753 179.666 176.870 0.072 0.000 1.075 431 L CA 1.621 56.511 54.840 0.084 0.000 0.752 431 L CB -1.424 40.564 42.059 -0.118 0.000 0.891 431 L HN 0.292 nan 8.230 nan 0.000 0.432 432 G N -0.137 108.732 108.800 0.114 0.000 2.414 432 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 432 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 432 G C 1.605 176.585 174.900 0.134 0.000 1.188 432 G CA 0.464 45.655 45.100 0.151 0.000 0.783 432 G HN 0.215 nan 8.290 nan 0.000 0.537 433 L N 1.643 122.974 121.223 0.180 0.000 2.042 433 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 433 L C 3.133 180.077 176.870 0.122 0.000 1.076 433 L CA 1.594 56.494 54.840 0.101 0.000 0.749 433 L CB -0.457 41.685 42.059 0.138 0.000 0.893 433 L HN 0.417 nan 8.230 nan 0.000 0.432 434 S N -0.517 115.307 115.700 0.206 0.000 2.603 434 S HA 0.086 4.556 4.470 -0.000 0.000 0.229 434 S C 1.462 176.260 174.600 0.329 0.000 0.972 434 S CA 0.468 58.837 58.200 0.281 0.000 0.935 434 S CB 0.039 63.470 63.200 0.384 0.000 0.769 434 S HN 0.609 nan 8.310 nan 0.000 0.536 435 G N 0.862 109.771 108.800 0.181 0.000 2.134 435 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.209 435 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.209 435 G C -0.137 174.740 174.900 -0.038 0.000 0.993 435 G CA 0.011 45.176 45.100 0.108 0.000 0.669 435 G HN 0.618 nan 8.290 nan 0.000 0.519 436 M N 1.680 121.109 119.600 -0.285 0.000 2.227 436 M HA 0.411 4.891 4.480 -0.000 0.000 0.349 436 M C -2.058 174.075 176.300 -0.278 0.000 1.443 436 M CA -1.470 53.467 55.300 -0.605 0.000 1.110 436 M CB 0.627 32.685 32.600 -0.904 0.000 1.773 436 M HN -0.022 nan 8.290 nan 0.000 0.463 437 P HA 0.079 nan 4.420 nan 0.000 0.270 437 P C -1.336 175.747 177.300 -0.361 0.000 1.223 437 P CA -0.085 62.684 63.100 -0.552 0.000 0.785 437 P CB 0.373 31.331 31.700 -1.236 0.000 0.923 438 R N 1.365 121.687 120.500 -0.297 0.000 2.549 438 R HA 0.556 4.896 4.340 -0.000 0.000 0.267 438 R C -0.164 176.151 176.300 0.025 0.000 1.045 438 R CA -0.786 55.157 56.100 -0.263 0.000 1.115 438 R CB 0.443 30.505 30.300 -0.396 0.000 1.121 438 R HN 0.319 nan 8.270 nan 0.000 0.543 439 R N -0.922 119.696 120.500 0.197 0.000 3.656 439 R HA -0.195 4.145 4.340 -0.000 0.000 0.297 439 R C -1.247 175.414 176.300 0.602 0.000 1.166 439 R CA 0.890 57.211 56.100 0.369 0.000 0.799 439 R CB -2.091 28.353 30.300 0.240 0.000 1.285 439 R HN 0.650 nan 8.270 nan 0.000 0.477 440 Y N -0.614 119.843 120.300 0.261 0.000 2.341 440 Y HA 0.144 4.694 4.550 -0.000 0.000 0.337 440 Y C 1.637 177.480 175.900 -0.096 0.000 1.014 440 Y CA -0.194 57.983 58.100 0.128 0.000 1.111 440 Y CB 1.665 40.214 38.460 0.149 0.000 1.194 440 Y HN 0.168 nan 8.280 nan 0.000 0.462 441 S N 0.286 115.783 115.700 -0.338 0.000 2.527 441 S HA 0.025 4.495 4.470 -0.000 0.000 0.222 441 S C -0.040 174.304 174.600 -0.427 0.000 0.985 441 S CA 0.529 58.246 58.200 -0.805 0.000 0.921 441 S CB 0.173 63.007 63.200 -0.611 0.000 0.772 441 S HN 0.722 nan 8.310 nan 0.000 0.529 442 D N -0.722 119.528 120.400 -0.250 0.000 2.639 442 D HA 0.507 5.147 4.640 -0.000 0.000 0.271 442 D C -1.892 174.346 176.300 -0.104 0.000 1.254 442 D CA -0.702 53.086 54.000 -0.352 0.000 0.810 442 D CB 1.593 42.193 40.800 -0.333 0.000 1.351 442 D HN 0.224 nan 8.370 nan 0.000 0.427 443 Y N -2.156 118.208 120.300 0.107 0.000 2.544 443 Y HA 0.679 5.229 4.550 -0.000 0.000 0.342 443 Y C -2.706 173.337 175.900 0.238 0.000 1.062 443 Y CA -2.353 55.886 58.100 0.232 0.000 1.023 443 Y CB -0.180 38.405 38.460 0.210 0.000 1.308 443 Y HN 0.055 nan 8.280 nan 0.000 0.457 444 P HA -0.005 nan 4.420 nan 0.000 0.266 444 P C 0.194 177.690 177.300 0.326 0.000 1.186 444 P CA 0.415 63.716 63.100 0.334 0.000 0.767 444 P CB 0.883 32.757 31.700 0.290 0.000 0.820 445 D N 1.937 122.422 120.400 0.141 0.000 2.149 445 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 445 D C 1.893 178.207 176.300 0.024 0.000 0.990 445 D CA 1.801 55.866 54.000 0.108 0.000 0.839 445 D CB -0.652 40.165 40.800 0.028 0.000 0.948 445 D HN 0.407 nan 8.370 nan 0.000 0.460 446 A N 0.300 123.042 122.820 -0.129 0.000 1.986 446 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 446 A C 1.398 178.818 177.584 -0.274 0.000 1.171 446 A CA 1.150 53.025 52.037 -0.270 0.000 0.640 446 A CB -0.981 17.764 19.000 -0.426 0.000 0.811 446 A HN 0.297 nan 8.150 nan 0.000 0.451 447 Y N 0.182 120.476 120.300 -0.011 0.000 2.462 447 Y HA 0.082 4.632 4.550 -0.000 0.000 0.293 447 Y C 2.328 178.014 175.900 -0.357 0.000 1.195 447 Y CA 0.514 58.522 58.100 -0.153 0.000 1.276 447 Y CB -0.975 37.361 38.460 -0.206 0.000 1.082 447 Y HN 0.212 nan 8.280 nan 0.000 0.514 448 T N 0.055 114.565 114.554 -0.074 0.000 2.737 448 T HA -0.261 4.089 4.350 -0.000 0.000 0.265 448 T C 2.105 176.709 174.700 -0.161 0.000 1.038 448 T CA 1.640 63.715 62.100 -0.043 0.000 1.144 448 T CB -0.208 68.705 68.868 0.075 0.000 0.866 448 T HN 0.461 nan 8.240 nan 0.000 0.434 449 M N -0.445 118.990 119.600 -0.275 0.000 2.080 449 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 449 M C 1.864 178.004 176.300 -0.268 0.000 1.068 449 M CA 1.913 56.984 55.300 -0.382 0.000 1.109 449 M CB -0.243 31.924 32.600 -0.720 0.000 1.342 449 M HN 0.411 nan 8.290 nan 0.000 0.405 450 W N 0.317 121.589 121.300 -0.047 0.000 2.436 450 W HA -0.080 4.580 4.660 -0.000 0.000 0.284 450 W C 2.228 178.656 176.519 -0.152 0.000 1.225 450 W CA 0.021 57.342 57.345 -0.040 0.000 1.271 450 W CB -0.549 28.928 29.460 0.029 0.000 1.114 450 W HN 0.306 nan 8.180 nan 0.000 0.559 451 N N 0.125 118.784 118.700 -0.068 0.000 2.120 451 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 451 N C 1.542 177.002 175.510 -0.084 0.000 1.024 451 N CA 2.155 55.087 53.050 -0.198 0.000 0.852 451 N CB -0.769 37.425 38.487 -0.487 0.000 1.003 451 N HN 0.075 nan 8.380 nan 0.000 0.424 452 T N 2.159 116.681 114.554 -0.053 0.000 2.635 452 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 452 T C 2.151 176.829 174.700 -0.037 0.000 1.040 452 T CA 0.914 62.990 62.100 -0.040 0.000 1.156 452 T CB -0.226 68.615 68.868 -0.045 0.000 0.863 452 T HN 0.183 nan 8.240 nan 0.000 0.430 453 I N 0.858 121.436 120.570 0.013 0.000 2.179 453 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 453 I C 2.820 178.933 176.117 -0.007 0.000 1.088 453 I CA 1.136 62.462 61.300 0.044 0.000 1.357 453 I CB -0.388 37.722 38.000 0.184 0.000 1.051 453 I HN 0.260 nan 8.210 nan 0.000 0.409 454 S N 0.193 115.877 115.700 -0.027 0.000 2.370 454 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 454 S C 2.209 176.711 174.600 -0.162 0.000 1.033 454 S CA 2.138 60.258 58.200 -0.133 0.000 1.011 454 S CB -0.221 62.869 63.200 -0.183 0.000 0.852 454 S HN 0.410 nan 8.310 nan 0.000 0.457 455 S N 1.274 116.901 115.700 -0.122 0.000 2.382 455 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 455 S C 1.881 176.397 174.600 -0.139 0.000 1.027 455 S CA 1.552 59.680 58.200 -0.119 0.000 0.991 455 S CB -0.402 62.736 63.200 -0.104 0.000 0.823 455 S HN 0.537 nan 8.310 nan 0.000 0.469 456 M N 1.027 120.547 119.600 -0.134 0.000 2.067 456 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 456 M C 2.598 178.875 176.300 -0.038 0.000 1.069 456 M CA 1.660 56.889 55.300 -0.118 0.000 1.117 456 M CB -1.105 31.448 32.600 -0.079 0.000 1.334 456 M HN 0.462 nan 8.290 nan 0.000 0.407 457 G N 0.143 108.909 108.800 -0.057 0.000 2.469 457 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 457 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 457 G C 1.621 176.486 174.900 -0.057 0.000 1.136 457 G CA 1.512 46.572 45.100 -0.066 0.000 0.759 457 G HN 0.570 nan 8.290 nan 0.000 0.562 458 S N 0.067 115.727 115.700 -0.068 0.000 2.383 458 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 458 S C 2.159 176.866 174.600 0.179 0.000 1.030 458 S CA 1.301 59.505 58.200 0.006 0.000 1.002 458 S CB -0.660 62.536 63.200 -0.007 0.000 0.829 458 S HN 0.389 nan 8.310 nan 0.000 0.467 459 F N 1.111 121.032 119.950 -0.049 0.000 2.234 459 F HA 0.122 4.649 4.527 -0.000 0.000 0.299 459 F C 2.263 178.060 175.800 -0.006 0.000 1.087 459 F CA 0.683 58.670 58.000 -0.021 0.000 1.340 459 F CB -0.176 38.815 39.000 -0.016 0.000 1.031 459 F HN 0.224 nan 8.300 nan 0.000 0.500 460 I N -0.884 119.782 120.570 0.160 0.000 2.202 460 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 460 I C 2.342 178.507 176.117 0.079 0.000 1.091 460 I CA 1.175 62.533 61.300 0.096 0.000 1.368 460 I CB -0.463 37.575 38.000 0.063 0.000 1.058 460 I HN -0.015 nan 8.210 nan 0.000 0.410 461 S N 0.860 116.602 115.700 0.069 0.000 2.382 461 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 461 S C 1.897 176.542 174.600 0.075 0.000 1.027 461 S CA 1.080 59.333 58.200 0.089 0.000 0.991 461 S CB -0.391 62.863 63.200 0.090 0.000 0.823 461 S HN 0.335 nan 8.310 nan 0.000 0.469 462 L N 2.164 123.401 121.223 0.024 0.000 2.042 462 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 462 L C 2.081 178.941 176.870 -0.017 0.000 1.076 462 L CA 1.970 56.788 54.840 -0.038 0.000 0.749 462 L CB -1.537 40.411 42.059 -0.184 0.000 0.893 462 L HN 0.178 nan 8.230 nan 0.000 0.432 463 T N 0.067 114.626 114.554 0.008 0.000 2.788 463 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 463 T C 1.951 176.700 174.700 0.082 0.000 1.044 463 T CA 1.244 63.360 62.100 0.027 0.000 1.139 463 T CB -0.560 68.337 68.868 0.048 0.000 0.867 463 T HN 0.564 nan 8.240 nan 0.000 0.454 464 A N 1.039 123.938 122.820 0.133 0.000 1.908 464 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 464 A C 2.574 180.291 177.584 0.223 0.000 1.181 464 A CA 1.431 53.624 52.037 0.259 0.000 0.627 464 A CB -0.981 18.203 19.000 0.307 0.000 0.818 464 A HN 0.370 nan 8.150 nan 0.000 0.445 465 V N 0.098 120.093 119.914 0.134 0.000 2.358 465 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 465 V C 2.646 178.737 176.094 -0.005 0.000 1.047 465 V CA 2.142 64.477 62.300 0.059 0.000 1.035 465 V CB -0.791 31.056 31.823 0.039 0.000 0.658 465 V HN 0.577 nan 8.190 nan 0.000 0.452 466 M N -0.710 118.886 119.600 -0.006 0.000 2.108 466 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 466 M C 2.276 178.575 176.300 -0.001 0.000 1.066 466 M CA 1.876 57.163 55.300 -0.021 0.000 1.107 466 M CB -0.615 31.961 32.600 -0.041 0.000 1.356 466 M HN 0.342 nan 8.290 nan 0.000 0.406 467 L N 0.540 121.775 121.223 0.020 0.000 2.027 467 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 467 L C 2.534 179.399 176.870 -0.007 0.000 1.074 467 L CA 1.670 56.537 54.840 0.046 0.000 0.745 467 L CB -0.553 41.580 42.059 0.123 0.000 0.898 467 L HN 0.276 nan 8.230 nan 0.000 0.433 468 M N -1.560 117.928 119.600 -0.188 0.000 2.089 468 M HA -0.264 4.216 4.480 -0.000 0.000 0.257 468 M C 2.076 178.281 176.300 -0.159 0.000 1.071 468 M CA 2.290 57.375 55.300 -0.358 0.000 1.096 468 M CB -0.179 32.161 32.600 -0.434 0.000 1.330 468 M HN 0.188 nan 8.290 nan 0.000 0.403 469 V N 0.543 120.416 119.914 -0.069 0.000 2.332 469 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 469 V C 2.172 178.292 176.094 0.043 0.000 1.055 469 V CA 2.308 64.605 62.300 -0.005 0.000 1.038 469 V CB -1.040 30.786 31.823 0.006 0.000 0.651 469 V HN 0.669 nan 8.190 nan 0.000 0.450 470 F N 0.609 120.509 119.950 -0.083 0.000 2.146 470 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 470 F C 2.047 177.828 175.800 -0.032 0.000 1.096 470 F CA 1.628 59.593 58.000 -0.059 0.000 1.275 470 F CB -0.374 38.498 39.000 -0.214 0.000 1.008 470 F HN 0.086 nan 8.300 nan 0.000 0.480 471 I N 0.429 120.727 120.570 -0.453 0.000 2.286 471 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 471 I C 2.347 178.206 176.117 -0.430 0.000 1.115 471 I CA 1.391 62.343 61.300 -0.580 0.000 1.392 471 I CB -0.422 37.445 38.000 -0.222 0.000 1.065 471 I HN 0.209 nan 8.210 nan 0.000 0.418 472 I N -0.771 119.657 120.570 -0.238 0.000 2.233 472 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 472 I C 2.430 178.558 176.117 0.019 0.000 1.093 472 I CA 1.266 62.471 61.300 -0.158 0.000 1.380 472 I CB -0.544 37.489 38.000 0.056 0.000 1.067 472 I HN 0.393 nan 8.210 nan 0.000 0.413 473 W N 2.534 123.784 121.300 -0.083 0.000 2.290 473 W HA -0.314 4.346 4.660 -0.000 0.000 0.323 473 W C 2.541 178.975 176.519 -0.141 0.000 1.260 473 W CA 2.201 59.522 57.345 -0.040 0.000 1.266 473 W CB -0.350 29.054 29.460 -0.093 0.000 1.149 473 W HN 0.101 nan 8.180 nan 0.000 0.482 474 E N 0.287 120.199 120.200 -0.480 0.000 2.118 474 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 474 E C 2.096 178.387 176.600 -0.516 0.000 0.992 474 E CA 1.767 57.742 56.400 -0.707 0.000 0.804 474 E CB -0.527 28.756 29.700 -0.694 0.000 0.741 474 E HN 0.365 nan 8.360 nan 0.000 0.458 475 A N -0.105 122.481 122.820 -0.391 0.000 1.872 475 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 475 A C 2.087 179.448 177.584 -0.372 0.000 1.187 475 A CA 0.955 52.815 52.037 -0.296 0.000 0.614 475 A CB -0.891 17.948 19.000 -0.270 0.000 0.826 475 A HN 0.291 nan 8.150 nan 0.000 0.442 476 F N -0.025 119.769 119.950 -0.260 0.000 2.259 476 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 476 F C 2.747 178.229 175.800 -0.529 0.000 1.088 476 F CA 0.585 58.357 58.000 -0.379 0.000 1.358 476 F CB -0.016 38.903 39.000 -0.136 0.000 1.040 476 F HN 0.286 nan 8.300 nan 0.000 0.505 477 A N -0.442 122.076 122.820 -0.502 0.000 1.873 477 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 477 A C 2.272 179.605 177.584 -0.419 0.000 1.186 477 A CA 2.065 53.722 52.037 -0.634 0.000 0.616 477 A CB -0.914 17.302 19.000 -1.307 0.000 0.823 477 A HN 0.295 nan 8.150 nan 0.000 0.442 478 S N -0.725 114.740 115.700 -0.391 0.000 2.414 478 S HA 0.028 4.498 4.470 -0.000 0.000 0.227 478 S C 0.516 174.988 174.600 -0.213 0.000 1.022 478 S CA 0.690 58.745 58.200 -0.243 0.000 0.958 478 S CB -0.155 62.943 63.200 -0.171 0.000 0.797 478 S HN 0.575 nan 8.310 nan 0.000 0.493 479 K N 1.128 121.306 120.400 -0.369 0.000 3.244 479 K HA -0.162 4.158 4.320 -0.000 0.000 0.270 479 K C -1.022 175.577 176.600 -0.002 0.000 1.016 479 K CA 0.248 56.311 56.287 -0.374 0.000 0.754 479 K CB -1.219 31.152 32.500 -0.214 0.000 1.326 479 K HN 0.412 nan 8.250 nan 0.000 0.465 480 R N 1.818 122.339 120.500 0.034 0.000 2.441 480 R HA 0.075 4.415 4.340 -0.000 0.000 0.300 480 R C -0.094 176.348 176.300 0.236 0.000 1.284 480 R CA -0.024 56.144 56.100 0.114 0.000 1.069 480 R CB 0.209 30.551 30.300 0.070 0.000 1.087 480 R HN 0.260 nan 8.270 nan 0.000 0.519 481 E N 1.769 122.104 120.200 0.225 0.000 2.338 481 E HA 0.062 4.412 4.350 -0.000 0.000 0.272 481 E C -0.015 176.626 176.600 0.068 0.000 1.029 481 E CA -0.380 56.109 56.400 0.149 0.000 0.872 481 E CB 1.267 31.027 29.700 0.100 0.000 1.015 481 E HN 0.181 nan 8.360 nan 0.000 0.417 482 V N 4.725 124.654 119.914 0.025 0.000 2.763 482 V HA -0.095 4.025 4.120 -0.000 0.000 0.306 482 V C 1.196 177.306 176.094 0.026 0.000 1.059 482 V CA 0.661 62.977 62.300 0.027 0.000 1.138 482 V CB 0.549 32.392 31.823 0.033 0.000 0.940 482 V HN 0.714 nan 8.190 nan 0.000 0.489 483 L N 2.575 123.812 121.223 0.022 0.000 2.416 483 L HA 0.237 4.577 4.340 -0.000 0.000 0.188 483 L C 0.831 177.711 176.870 0.016 0.000 1.145 483 L CA 0.742 55.593 54.840 0.020 0.000 0.826 483 L CB 0.293 42.362 42.059 0.017 0.000 1.064 483 L HN 0.631 nan 8.230 nan 0.000 0.490 484 T N -0.100 114.454 114.554 -0.000 0.000 2.893 484 T HA 0.596 4.946 4.350 -0.000 0.000 0.291 484 T C -0.987 173.677 174.700 -0.060 0.000 1.028 484 T CA -0.288 61.802 62.100 -0.016 0.000 0.995 484 T CB 2.906 71.762 68.868 -0.019 0.000 1.051 484 T HN -0.240 nan 8.240 nan 0.000 0.470 485 V N 2.383 122.242 119.914 -0.093 0.000 2.709 485 V HA 0.391 4.511 4.120 -0.000 0.000 0.308 485 V C -0.427 175.581 176.094 -0.144 0.000 1.062 485 V CA -0.922 61.252 62.300 -0.210 0.000 0.901 485 V CB 2.239 33.843 31.823 -0.365 0.000 1.003 485 V HN 0.837 nan 8.190 nan 0.000 0.425 486 D N 2.491 122.809 120.400 -0.136 0.000 2.358 486 D HA 0.446 5.086 4.640 -0.000 0.000 0.244 486 D C 0.884 177.099 176.300 -0.141 0.000 1.163 486 D CA 0.256 54.172 54.000 -0.140 0.000 0.945 486 D CB 0.891 41.576 40.800 -0.192 0.000 1.152 486 D HN 0.560 nan 8.370 nan 0.000 0.451 487 L N 0.512 121.649 121.223 -0.144 0.000 4.291 487 L HA -0.312 4.028 4.340 -0.000 0.000 0.413 487 L C 1.702 178.607 176.870 0.059 0.000 1.162 487 L CA 0.725 55.497 54.840 -0.113 0.000 0.961 487 L CB -2.509 39.328 42.059 -0.370 0.000 2.095 487 L HN 0.585 nan 8.230 nan 0.000 0.838 488 T N -4.797 109.798 114.554 0.068 0.000 2.881 488 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 488 T C 1.726 176.525 174.700 0.166 0.000 1.068 488 T CA 1.644 63.842 62.100 0.162 0.000 1.131 488 T CB -0.493 68.469 68.868 0.156 0.000 0.871 488 T HN 0.594 nan 8.240 nan 0.000 0.479 489 T N 0.760 115.376 114.554 0.104 0.000 2.881 489 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 489 T C 1.787 176.559 174.700 0.120 0.000 1.068 489 T CA 1.511 63.670 62.100 0.099 0.000 1.131 489 T CB -0.923 67.979 68.868 0.057 0.000 0.871 489 T HN 0.679 nan 8.240 nan 0.000 0.479 490 T N -1.417 113.217 114.554 0.133 0.000 3.252 490 T HA 0.330 4.680 4.350 -0.000 0.000 0.286 490 T C 0.154 175.000 174.700 0.243 0.000 1.013 490 T CA -0.810 61.381 62.100 0.151 0.000 0.914 490 T CB -0.093 68.830 68.868 0.092 0.000 1.131 490 T HN 0.262 nan 8.240 nan 0.000 0.529 491 N N 1.431 120.324 118.700 0.320 0.000 2.711 491 N HA 0.184 4.924 4.740 -0.000 0.000 0.263 491 N C 0.417 176.225 175.510 0.497 0.000 1.667 491 N CA -0.249 53.093 53.050 0.488 0.000 0.785 491 N CB 1.672 40.532 38.487 0.622 0.000 1.231 491 N HN 0.073 nan 8.380 nan 0.000 0.503 492 L N 1.974 123.430 121.223 0.388 0.000 2.189 492 L HA -0.163 4.177 4.340 -0.000 0.000 0.214 492 L C 2.340 179.440 176.870 0.384 0.000 1.097 492 L CA 1.993 57.046 54.840 0.355 0.000 0.764 492 L CB -0.090 42.141 42.059 0.287 0.000 0.900 492 L HN 0.398 nan 8.230 nan 0.000 0.436 493 E N -1.898 118.516 120.200 0.355 0.000 2.347 493 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 493 E C 1.625 178.301 176.600 0.125 0.000 1.008 493 E CA 1.189 57.726 56.400 0.229 0.000 0.852 493 E CB -0.851 28.907 29.700 0.095 0.000 0.783 493 E HN 0.701 nan 8.360 nan 0.000 0.505 494 W N 0.250 121.682 121.300 0.221 0.000 3.197 494 W HA 0.212 4.872 4.660 -0.000 0.000 0.274 494 W C 1.565 178.152 176.519 0.113 0.000 1.297 494 W CA -0.552 56.876 57.345 0.138 0.000 1.662 494 W CB 0.154 29.676 29.460 0.103 0.000 1.106 494 W HN 0.058 nan 8.180 nan 0.000 0.663 495 L N 1.002 122.427 121.223 0.338 0.000 2.551 495 L HA 0.024 4.364 4.340 -0.000 0.000 0.228 495 L C 1.159 178.104 176.870 0.125 0.000 1.153 495 L CA 1.487 56.465 54.840 0.231 0.000 0.851 495 L CB -0.594 41.605 42.059 0.233 0.000 0.959 495 L HN -0.008 nan 8.230 nan 0.000 0.451 496 N N 0.149 118.900 118.700 0.085 0.000 2.251 496 N HA 0.238 4.978 4.740 -0.000 0.000 0.217 496 N C 0.650 176.184 175.510 0.039 0.000 1.124 496 N CA 0.765 53.815 53.050 -0.001 0.000 0.843 496 N CB 0.536 38.956 38.487 -0.112 0.000 1.024 496 N HN 0.333 nan 8.380 nan 0.000 0.501 497 G N 0.324 109.179 108.800 0.093 0.000 2.756 497 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.678 497 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.678 497 G C -0.911 174.035 174.900 0.075 0.000 1.349 497 G CA -0.813 44.338 45.100 0.085 0.000 0.847 497 G HN 0.272 nan 8.290 nan 0.000 0.548 498 C N 2.425 121.752 119.300 0.046 0.000 2.346 498 C HA 0.711 5.171 4.460 -0.000 0.000 0.326 498 C C -1.466 173.476 174.990 -0.080 0.000 1.224 498 C CA -0.784 58.226 59.018 -0.014 0.000 1.408 498 C CB 1.305 29.053 27.740 0.012 0.000 2.089 498 C HN 0.830 nan 8.230 nan 0.000 0.456 499 P HA 0.341 nan 4.420 nan 0.000 0.274 499 P C -2.607 174.727 177.300 0.056 0.000 1.246 499 P CA -1.119 61.982 63.100 0.001 0.000 0.795 499 P CB -0.049 31.696 31.700 0.075 0.000 1.006 500 P HA 0.241 nan 4.420 nan 0.000 0.274 500 P C -2.342 174.987 177.300 0.048 0.000 1.237 500 P CA -1.535 61.609 63.100 0.074 0.000 0.793 500 P CB -1.090 30.673 31.700 0.105 0.000 0.977 501 P HA -0.007 nan 4.420 nan 0.000 0.272 501 P C 0.772 178.075 177.300 0.005 0.000 1.240 501 P CA -0.126 62.992 63.100 0.031 0.000 0.791 501 P CB 0.443 32.165 31.700 0.036 0.000 0.978 502 Y N 0.894 121.109 120.300 -0.140 0.000 2.062 502 Y HA -0.246 4.304 4.550 -0.000 0.000 0.276 502 Y C 1.210 176.907 175.900 -0.337 0.000 1.189 502 Y CA 1.873 59.800 58.100 -0.290 0.000 1.130 502 Y CB -0.215 38.048 38.460 -0.328 0.000 0.959 502 Y HN 0.330 nan 8.280 nan 0.000 0.499 503 H N 0.156 119.274 119.070 0.080 0.000 2.476 503 H HA 0.351 4.907 4.556 -0.000 0.000 0.328 503 H C -0.137 175.186 175.328 -0.009 0.000 1.073 503 H CA 0.223 56.283 56.048 0.020 0.000 1.229 503 H CB 1.211 31.020 29.762 0.079 0.000 1.432 503 H HN 0.123 nan 8.280 nan 0.000 0.477 504 T N -0.916 113.711 114.554 0.121 0.000 2.916 504 T HA 0.358 4.708 4.350 -0.000 0.000 0.292 504 T C -0.061 174.673 174.700 0.057 0.000 1.055 504 T CA -0.842 61.228 62.100 -0.049 0.000 1.009 504 T CB 1.346 70.126 68.868 -0.147 0.000 1.118 504 T HN 0.429 nan 8.240 nan 0.000 0.497 505 F N -0.421 119.572 119.950 0.071 0.000 3.091 505 F HA -0.205 4.322 4.527 -0.000 0.000 0.288 505 F C 1.302 177.119 175.800 0.028 0.000 0.907 505 F CA 0.360 58.387 58.000 0.046 0.000 1.028 505 F CB -2.495 36.524 39.000 0.032 0.000 1.022 505 F HN 0.815 nan 8.300 nan 0.000 0.665 506 E N 0.283 120.544 120.200 0.102 0.000 2.077 506 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 506 E C 1.157 177.791 176.600 0.056 0.000 0.989 506 E CA 1.345 57.774 56.400 0.048 0.000 0.800 506 E CB 0.053 29.753 29.700 -0.000 0.000 0.746 506 E HN 0.622 nan 8.360 nan 0.000 0.452 507 E N 1.831 122.075 120.200 0.073 0.000 2.115 507 E HA 0.132 4.482 4.350 -0.000 0.000 0.282 507 E C -2.372 174.321 176.600 0.156 0.000 0.987 507 E CA -2.632 53.820 56.400 0.087 0.000 0.797 507 E CB 0.840 30.580 29.700 0.068 0.000 1.086 507 E HN -0.142 nan 8.360 nan 0.000 0.397 508 P HA -0.001 nan 4.420 nan 0.000 0.272 508 P C -0.236 177.182 177.300 0.196 0.000 1.240 508 P CA -0.356 62.844 63.100 0.167 0.000 0.791 508 P CB 0.401 32.142 31.700 0.070 0.000 0.978 509 T N -1.235 113.436 114.554 0.195 0.000 2.795 509 T HA 0.087 4.437 4.350 -0.000 0.000 0.314 509 T C -0.442 174.358 174.700 0.167 0.000 1.069 509 T CA -0.094 62.125 62.100 0.199 0.000 1.071 509 T CB -0.024 68.929 68.868 0.140 0.000 0.988 509 T HN 0.380 nan 8.240 nan 0.000 0.543 510 Y N 1.185 121.524 120.300 0.065 0.000 2.331 510 Y HA 0.570 5.120 4.550 -0.000 0.000 0.338 510 Y C -1.316 174.605 175.900 0.035 0.000 0.992 510 Y CA -1.214 56.911 58.100 0.042 0.000 1.121 510 Y CB 1.085 39.570 38.460 0.042 0.000 1.184 510 Y HN 0.600 nan 8.280 nan 0.000 0.469 511 V N 6.486 126.181 119.914 -0.365 0.000 2.567 511 V HA 0.267 4.387 4.120 -0.000 0.000 0.298 511 V C -0.649 175.202 176.094 -0.404 0.000 1.047 511 V CA -1.254 60.906 62.300 -0.233 0.000 0.880 511 V CB 1.600 33.363 31.823 -0.099 0.000 1.009 511 V HN 0.881 nan 8.190 nan 0.000 0.429 512 N N 2.631 121.153 118.700 -0.296 0.000 2.482 512 N HA 0.369 5.109 4.740 -0.000 0.000 0.260 512 N C 0.845 176.299 175.510 -0.094 0.000 1.236 512 N CA -0.451 52.487 53.050 -0.185 0.000 0.938 512 N CB 1.351 39.849 38.487 0.019 0.000 1.128 512 N HN 0.614 nan 8.380 nan 0.000 0.448 513 L N 1.354 122.536 121.223 -0.069 0.000 2.307 513 L HA 0.133 4.473 4.340 -0.000 0.000 0.211 513 L C 0.395 177.260 176.870 -0.007 0.000 1.099 513 L CA 0.546 55.366 54.840 -0.033 0.000 0.816 513 L CB -0.147 41.894 42.059 -0.030 0.000 0.952 513 L HN 0.672 nan 8.230 nan 0.000 0.455 514 K N 0.000 120.402 120.400 0.003 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.296 56.287 0.015 0.000 0.838 514 K CB 0.000 32.511 32.500 0.019 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543