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 2woc_1_A DATA FIRST_RESID 3 DATA SEQUENCE GPSVHDRALG AFLGLAVGDA LGATVEFMTK GEIAQQYGIH RKMTGGGWLR DATA SEQUENCE LKPGQITDDT EMSLALGRSL AAKGTLDVAD ICEEFALWLK SRPVDVGNTC DATA SEQUENCE RRGIRRYMHE GTTTAPYSEG DAGNGAAMRC LPAALATLGH PADLEPWVLA DATA SEQUENCE QARITHNHPL SDAACLTLGR MVHHLIGGRG MKACREEANR LVHQHRDFHF DATA SEQUENCE EPYKGQSSAY IVDTMQTVLH YYFVTDTFKS CLIQTVNQGG DADTTGALAG DATA SEQUENCE MLAGATYGVD DIPSGWLSKL DMKVEREIRR QVDALLALAG L 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.923 174.900 0.038 0.000 0.946 3 G CA 0.000 45.123 45.100 0.037 0.000 0.502 4 P HA 0.368 nan 4.420 nan 0.000 0.266 4 P C 0.617 177.941 177.300 0.041 0.000 1.195 4 P CA -0.215 62.913 63.100 0.047 0.000 0.768 4 P CB 0.850 32.583 31.700 0.055 0.000 0.838 5 S N 0.863 116.591 115.700 0.047 0.000 2.589 5 S HA 0.041 4.510 4.470 -0.001 0.000 0.265 5 S C 1.354 175.986 174.600 0.054 0.000 1.342 5 S CA -0.641 57.588 58.200 0.049 0.000 1.005 5 S CB 0.331 63.567 63.200 0.060 0.000 0.909 5 S HN 0.182 nan 8.310 nan 0.000 0.555 6 V N 1.572 121.515 119.914 0.048 0.000 2.317 6 V HA -0.233 3.886 4.120 -0.001 0.000 0.251 6 V C 2.593 178.718 176.094 0.050 0.000 1.065 6 V CA 2.460 64.781 62.300 0.035 0.000 1.049 6 V CB -1.352 30.486 31.823 0.024 0.000 0.651 6 V HN 1.027 nan 8.190 nan 0.000 0.450 7 H N -0.373 118.699 119.070 0.003 0.000 2.389 7 H HA -0.141 4.414 4.556 -0.001 0.000 0.299 7 H C 2.133 177.470 175.328 0.014 0.000 1.081 7 H CA 1.796 57.849 56.048 0.009 0.000 1.345 7 H CB 0.031 29.796 29.762 0.006 0.000 1.393 7 H HN 0.420 nan 8.280 nan 0.000 0.520 8 D N 0.212 120.681 120.400 0.116 0.000 2.144 8 D HA -0.097 4.542 4.640 -0.001 0.000 0.199 8 D C 2.457 178.762 176.300 0.009 0.000 0.984 8 D CA 0.788 54.827 54.000 0.064 0.000 0.834 8 D CB -0.065 40.777 40.800 0.070 0.000 0.955 8 D HN 0.412 nan 8.370 nan 0.000 0.465 9 R N 0.362 120.864 120.500 0.004 0.000 2.075 9 R HA 0.128 4.467 4.340 -0.001 0.000 0.226 9 R C 2.264 178.547 176.300 -0.029 0.000 1.114 9 R CA 0.997 57.094 56.100 -0.004 0.000 0.972 9 R CB -0.164 30.135 30.300 -0.002 0.000 0.869 9 R HN 0.057 nan 8.270 nan 0.000 0.437 10 A N 1.274 124.056 122.820 -0.063 0.000 1.898 10 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 10 A C 2.059 179.610 177.584 -0.055 0.000 1.181 10 A CA 1.015 53.010 52.037 -0.070 0.000 0.620 10 A CB -0.385 18.555 19.000 -0.099 0.000 0.819 10 A HN 0.194 nan 8.150 nan 0.000 0.442 11 L N -0.032 121.102 121.223 -0.149 0.000 2.093 11 L HA 0.045 4.385 4.340 -0.001 0.000 0.208 11 L C 2.424 179.287 176.870 -0.011 0.000 1.085 11 L CA 2.022 56.799 54.840 -0.105 0.000 0.755 11 L CB -0.936 41.013 42.059 -0.182 0.000 0.904 11 L HN 0.314 nan 8.230 nan 0.000 0.435 12 G N -1.120 107.672 108.800 -0.014 0.000 2.418 12 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 12 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 12 G C 1.614 176.549 174.900 0.059 0.000 1.158 12 G CA 0.774 45.875 45.100 0.002 0.000 0.771 12 G HN 0.588 nan 8.290 nan 0.000 0.545 13 A N 0.034 122.885 122.820 0.052 0.000 1.877 13 A HA 0.092 4.412 4.320 -0.001 0.000 0.216 13 A C 2.242 179.882 177.584 0.094 0.000 1.186 13 A CA 1.381 53.444 52.037 0.044 0.000 0.620 13 A CB -0.509 18.475 19.000 -0.027 0.000 0.822 13 A HN 0.404 nan 8.150 nan 0.000 0.443 14 F N -0.331 119.602 119.950 -0.028 0.000 2.219 14 F HA 0.037 4.563 4.527 -0.001 0.000 0.294 14 F C 2.051 177.844 175.800 -0.013 0.000 1.086 14 F CA 0.567 58.551 58.000 -0.027 0.000 1.330 14 F CB 0.073 39.048 39.000 -0.042 0.000 1.047 14 F HN 0.090 nan 8.300 nan 0.000 0.495 15 L N -0.426 120.916 121.223 0.199 0.000 2.093 15 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 15 L C 2.713 179.656 176.870 0.121 0.000 1.085 15 L CA 1.239 56.133 54.840 0.091 0.000 0.755 15 L CB -1.309 40.756 42.059 0.010 0.000 0.904 15 L HN 0.241 nan 8.230 nan 0.000 0.435 16 G N 0.252 109.143 108.800 0.151 0.000 2.422 16 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.218 16 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.218 16 G C 1.627 176.692 174.900 0.275 0.000 1.146 16 G CA 0.718 46.016 45.100 0.330 0.000 0.769 16 G HN 0.251 nan 8.290 nan 0.000 0.547 17 L N 1.038 122.363 121.223 0.171 0.000 2.012 17 L HA 0.035 4.375 4.340 -0.001 0.000 0.210 17 L C 3.138 180.065 176.870 0.095 0.000 1.073 17 L CA 2.289 57.184 54.840 0.092 0.000 0.748 17 L CB -0.406 41.684 42.059 0.051 0.000 0.891 17 L HN 0.232 nan 8.230 nan 0.000 0.431 18 A N -1.106 121.796 122.820 0.137 0.000 1.877 18 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 18 A C 2.244 179.858 177.584 0.050 0.000 1.186 18 A CA 2.020 54.109 52.037 0.087 0.000 0.620 18 A CB -1.150 17.895 19.000 0.075 0.000 0.822 18 A HN 0.318 nan 8.150 nan 0.000 0.443 19 V N -0.119 119.847 119.914 0.086 0.000 2.343 19 V HA -0.180 3.939 4.120 -0.001 0.000 0.247 19 V C 2.770 178.834 176.094 -0.050 0.000 1.051 19 V CA 1.990 64.324 62.300 0.057 0.000 1.036 19 V CB -1.325 30.622 31.823 0.207 0.000 0.654 19 V HN 0.629 nan 8.190 nan 0.000 0.451 20 G N -0.592 108.208 108.800 0.000 0.000 2.402 20 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.216 20 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.216 20 G C 1.367 176.209 174.900 -0.097 0.000 1.162 20 G CA 0.951 45.990 45.100 -0.101 0.000 0.777 20 G HN 0.518 nan 8.290 nan 0.000 0.539 21 D N 1.394 121.765 120.400 -0.048 0.000 2.108 21 D HA -0.119 4.521 4.640 -0.001 0.000 0.190 21 D C 2.787 179.058 176.300 -0.049 0.000 0.995 21 D CA 1.746 55.724 54.000 -0.036 0.000 0.834 21 D CB -0.632 40.162 40.800 -0.010 0.000 0.967 21 D HN 0.210 nan 8.370 nan 0.000 0.446 22 A N 0.205 122.992 122.820 -0.054 0.000 1.883 22 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 22 A C 2.405 179.934 177.584 -0.092 0.000 1.186 22 A CA 1.759 53.758 52.037 -0.063 0.000 0.624 22 A CB -1.034 17.932 19.000 -0.056 0.000 0.822 22 A HN 0.391 nan 8.150 nan 0.000 0.444 23 L N -0.283 120.832 121.223 -0.179 0.000 2.056 23 L HA 0.003 4.342 4.340 -0.001 0.000 0.207 23 L C 2.440 179.283 176.870 -0.045 0.000 1.078 23 L CA 2.165 56.873 54.840 -0.220 0.000 0.749 23 L CB -0.746 40.988 42.059 -0.542 0.000 0.901 23 L HN 0.327 nan 8.230 nan 0.000 0.433 24 G N -1.593 107.159 108.800 -0.081 0.000 2.421 24 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.217 24 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.217 24 G C 1.600 176.489 174.900 -0.017 0.000 1.143 24 G CA 0.532 45.606 45.100 -0.044 0.000 0.784 24 G HN 0.558 nan 8.290 nan 0.000 0.541 25 A N 1.115 123.925 122.820 -0.016 0.000 2.024 25 A HA -0.059 4.261 4.320 -0.001 0.000 0.220 25 A C 2.607 180.189 177.584 -0.003 0.000 1.164 25 A CA 2.569 54.607 52.037 0.001 0.000 0.643 25 A CB -0.990 17.992 19.000 -0.030 0.000 0.806 25 A HN 0.500 nan 8.150 nan 0.000 0.451 26 T N -2.016 112.514 114.554 -0.040 0.000 2.915 26 T HA -0.029 4.321 4.350 -0.001 0.000 0.269 26 T C 1.234 175.891 174.700 -0.073 0.000 1.071 26 T CA 1.441 63.501 62.100 -0.067 0.000 1.132 26 T CB -0.643 68.170 68.868 -0.091 0.000 0.878 26 T HN 0.847 nan 8.240 nan 0.000 0.479 27 V N -2.103 117.739 119.914 -0.121 0.000 3.319 27 V HA 0.416 4.535 4.120 -0.001 0.000 0.317 27 V C 0.412 176.553 176.094 0.079 0.000 1.411 27 V CA -0.991 61.268 62.300 -0.067 0.000 1.112 27 V CB -0.692 30.985 31.823 -0.244 0.000 1.031 27 V HN 0.333 nan 8.190 nan 0.000 0.448 28 E N 0.480 120.781 120.200 0.168 0.000 2.414 28 E HA 0.197 4.547 4.350 -0.001 0.000 0.263 28 E C 0.087 176.892 176.600 0.341 0.000 1.000 28 E CA 0.088 56.642 56.400 0.255 0.000 0.914 28 E CB 0.125 30.084 29.700 0.431 0.000 0.948 28 E HN 0.460 nan 8.360 nan 0.000 0.444 29 F N 0.800 120.782 119.950 0.054 0.000 2.988 29 F HA -0.292 4.235 4.527 -0.000 0.000 0.287 29 F C -0.045 175.740 175.800 -0.026 0.000 0.781 29 F CA 0.318 58.281 58.000 -0.062 0.000 1.221 29 F CB -0.777 38.051 39.000 -0.286 0.000 1.392 29 F HN 0.472 nan 8.300 nan 0.000 0.425 30 M N 0.048 119.744 119.600 0.161 0.000 2.508 30 M HA 0.370 4.850 4.480 -0.001 0.000 0.327 30 M C 0.705 177.053 176.300 0.081 0.000 1.160 30 M CA -0.418 54.957 55.300 0.125 0.000 0.980 30 M CB 1.694 34.368 32.600 0.124 0.000 1.693 30 M HN 0.141 nan 8.290 nan 0.000 0.452 31 T N -1.870 112.729 114.554 0.075 0.000 2.828 31 T HA 0.202 4.551 4.350 -0.001 0.000 0.290 31 T C 0.957 175.696 174.700 0.065 0.000 1.019 31 T CA -0.650 61.484 62.100 0.057 0.000 1.031 31 T CB 1.237 70.135 68.868 0.050 0.000 1.001 31 T HN 0.807 nan 8.240 nan 0.000 0.531 32 K N 1.047 121.485 120.400 0.063 0.000 2.103 32 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 32 K C 2.332 178.977 176.600 0.074 0.000 1.048 32 K CA 1.727 58.057 56.287 0.073 0.000 0.930 32 K CB -1.082 31.466 32.500 0.081 0.000 0.716 32 K HN 0.847 nan 8.250 nan 0.000 0.444 33 G N 0.772 109.610 108.800 0.062 0.000 2.418 33 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 33 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 33 G C 1.188 176.124 174.900 0.061 0.000 1.158 33 G CA 0.768 45.903 45.100 0.057 0.000 0.771 33 G HN 0.423 nan 8.290 nan 0.000 0.545 34 E N -0.102 120.137 120.200 0.064 0.000 2.106 34 E HA -0.015 4.334 4.350 -0.001 0.000 0.192 34 E C 2.483 179.142 176.600 0.098 0.000 0.984 34 E CA 0.435 56.875 56.400 0.066 0.000 0.806 34 E CB -0.100 29.640 29.700 0.067 0.000 0.750 34 E HN 0.501 nan 8.360 nan 0.000 0.458 35 I N 0.935 121.584 120.570 0.131 0.000 2.202 35 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 35 I C 2.514 178.760 176.117 0.215 0.000 1.091 35 I CA 0.917 62.347 61.300 0.216 0.000 1.368 35 I CB -0.311 37.780 38.000 0.152 0.000 1.058 35 I HN 0.086 nan 8.210 nan 0.000 0.410 36 A N 0.497 123.399 122.820 0.137 0.000 1.933 36 A HA -0.290 4.029 4.320 -0.001 0.000 0.218 36 A C 2.245 179.882 177.584 0.090 0.000 1.175 36 A CA 2.174 54.280 52.037 0.115 0.000 0.628 36 A CB -0.601 18.451 19.000 0.086 0.000 0.814 36 A HN 0.502 nan 8.150 nan 0.000 0.444 37 Q N -0.332 119.507 119.800 0.065 0.000 2.083 37 Q HA -0.144 4.195 4.340 -0.001 0.000 0.198 37 Q C 2.104 178.098 176.000 -0.010 0.000 0.969 37 Q CA 2.226 58.046 55.803 0.028 0.000 0.838 37 Q CB -0.438 28.311 28.738 0.019 0.000 0.900 37 Q HN 0.721 nan 8.270 nan 0.000 0.436 38 Q N -1.623 118.153 119.800 -0.041 0.000 2.096 38 Q HA -0.102 4.238 4.340 -0.001 0.000 0.197 38 Q C 0.973 176.787 176.000 -0.309 0.000 0.964 38 Q CA 1.343 57.008 55.803 -0.230 0.000 0.838 38 Q CB 0.100 28.604 28.738 -0.391 0.000 0.906 38 Q HN 0.571 nan 8.270 nan 0.000 0.444 39 Y N -1.884 118.446 120.300 0.049 0.000 2.535 39 Y HA 0.278 4.830 4.550 0.003 0.000 0.266 39 Y C 1.504 177.449 175.900 0.075 0.000 1.088 39 Y CA 0.374 58.520 58.100 0.076 0.000 1.285 39 Y CB 0.865 39.395 38.460 0.117 0.000 1.166 39 Y HN 0.319 nan 8.280 nan 0.000 0.525 40 G N 1.518 110.439 108.800 0.202 0.000 4.886 40 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.305 40 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.305 40 G C -0.026 174.968 174.900 0.157 0.000 1.483 40 G CA 0.245 45.432 45.100 0.145 0.000 1.029 40 G HN 0.137 nan 8.290 nan 0.000 0.746 41 I N 1.425 122.090 120.570 0.160 0.000 2.418 41 I HA 0.420 4.589 4.170 -0.001 0.000 0.287 41 I C -0.171 176.040 176.117 0.156 0.000 1.008 41 I CA -0.892 60.488 61.300 0.133 0.000 1.104 41 I CB 1.909 39.961 38.000 0.086 0.000 1.264 41 I HN 0.515 nan 8.210 nan 0.000 0.438 42 H N 6.559 125.623 119.070 -0.010 0.000 2.800 42 H HA 0.336 4.892 4.556 -0.001 0.000 0.291 42 H C 0.124 175.411 175.328 -0.067 0.000 1.076 42 H CA 0.111 56.062 56.048 -0.161 0.000 1.452 42 H CB 0.580 30.075 29.762 -0.444 0.000 1.461 42 H HN 0.512 nan 8.280 nan 0.000 0.488 43 R N 2.986 123.278 120.500 -0.348 0.000 2.555 43 R HA 0.230 4.569 4.340 -0.001 0.000 0.312 43 R C -0.284 176.057 176.300 0.069 0.000 0.938 43 R CA -0.345 55.711 56.100 -0.075 0.000 1.112 43 R CB 0.806 31.168 30.300 0.103 0.000 1.535 43 R HN 0.346 nan 8.270 nan 0.000 0.525 44 K N 0.955 121.262 120.400 -0.154 0.000 2.318 44 K HA 0.394 4.714 4.320 -0.001 0.000 0.249 44 K C -0.374 176.207 176.600 -0.031 0.000 0.942 44 K CA -0.953 55.380 56.287 0.075 0.000 0.808 44 K CB 1.798 34.371 32.500 0.122 0.000 1.189 44 K HN -0.163 nan 8.250 nan 0.000 0.428 45 M N 3.285 122.918 119.600 0.054 0.000 2.869 45 M HA 0.009 4.489 4.480 -0.001 0.000 0.299 45 M C 0.968 177.319 176.300 0.084 0.000 1.508 45 M CA 0.511 55.827 55.300 0.028 0.000 1.551 45 M CB -1.076 31.552 32.600 0.048 0.000 1.384 45 M HN 0.728 nan 8.290 nan 0.000 0.491 46 T N -1.592 113.038 114.554 0.126 0.000 3.051 46 T HA 0.369 4.719 4.350 -0.001 0.000 0.255 46 T C 1.154 175.915 174.700 0.102 0.000 1.085 46 T CA 0.414 62.601 62.100 0.146 0.000 1.109 46 T CB 0.082 69.094 68.868 0.240 0.000 0.921 46 T HN 0.771 nan 8.240 nan 0.000 0.488 47 G N 0.860 109.703 108.800 0.072 0.000 2.598 47 G HA2 0.277 4.236 3.960 -0.001 0.000 0.244 47 G HA3 0.277 4.236 3.960 -0.001 0.000 0.244 47 G C 0.562 175.490 174.900 0.047 0.000 1.302 47 G CA -0.062 45.062 45.100 0.040 0.000 0.903 47 G HN 1.770 nan 8.290 nan 0.000 0.575 48 G N -1.403 107.414 108.800 0.028 0.000 2.528 48 G HA2 0.421 4.380 3.960 -0.001 0.000 0.262 48 G HA3 0.421 4.380 3.960 -0.001 0.000 0.262 48 G C 1.332 176.242 174.900 0.015 0.000 1.200 48 G CA 1.701 46.822 45.100 0.035 0.000 0.951 48 G HN 3.373 nan 8.290 nan 0.000 0.566 49 G N -1.964 106.874 108.800 0.063 0.000 2.782 49 G HA2 0.066 4.025 3.960 -0.001 0.000 0.228 49 G HA3 0.066 4.025 3.960 -0.001 0.000 0.228 49 G C 0.965 175.929 174.900 0.106 0.000 1.372 49 G CA 1.183 46.338 45.100 0.092 0.000 0.862 49 G HN 2.454 nan 8.290 nan 0.000 0.547 50 W N -0.848 120.473 121.300 0.036 0.000 2.392 50 W HA 0.090 4.748 4.660 -0.003 0.000 0.279 50 W C 1.682 178.211 176.519 0.016 0.000 1.225 50 W CA 1.383 58.739 57.345 0.019 0.000 1.233 50 W CB -0.901 28.566 29.460 0.012 0.000 1.122 50 W HN 0.376 nan 8.180 nan 0.000 0.561 51 L N 1.177 122.028 121.223 -0.620 0.000 2.554 51 L HA 0.134 4.474 4.340 -0.001 0.000 0.226 51 L C 0.982 177.696 176.870 -0.260 0.000 1.137 51 L CA 0.401 54.872 54.840 -0.615 0.000 0.863 51 L CB -0.613 40.970 42.059 -0.793 0.000 0.985 51 L HN -0.112 nan 8.230 nan 0.000 0.451 52 R N 0.322 120.736 120.500 -0.144 0.000 3.267 52 R HA -0.160 4.179 4.340 -0.001 0.000 0.254 52 R C -0.519 175.741 176.300 -0.067 0.000 0.993 52 R CA 0.138 56.199 56.100 -0.065 0.000 0.670 52 R CB -2.385 27.891 30.300 -0.041 0.000 1.125 52 R HN 0.291 nan 8.270 nan 0.000 0.434 53 L N 0.807 121.986 121.223 -0.073 0.000 2.436 53 L HA 0.236 4.576 4.340 -0.001 0.000 0.265 53 L C 1.028 177.885 176.870 -0.022 0.000 1.168 53 L CA -0.314 54.491 54.840 -0.058 0.000 0.815 53 L CB 0.556 42.574 42.059 -0.067 0.000 1.109 53 L HN 0.092 nan 8.230 nan 0.000 0.462 54 K N 1.963 122.354 120.400 -0.015 0.000 2.219 54 K HA 0.212 4.532 4.320 -0.001 0.000 0.258 54 K C -2.307 174.298 176.600 0.009 0.000 1.008 54 K CA -1.367 54.920 56.287 0.001 0.000 0.928 54 K CB 0.241 32.742 32.500 0.002 0.000 0.983 54 K HN 0.257 nan 8.250 nan 0.000 0.484 55 P HA -0.030 nan 4.420 nan 0.000 0.263 55 P C 0.322 177.636 177.300 0.024 0.000 1.195 55 P CA 0.835 63.955 63.100 0.032 0.000 0.762 55 P CB 0.572 32.299 31.700 0.045 0.000 0.799 56 G N 1.808 110.617 108.800 0.016 0.000 2.179 56 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 56 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 56 G C 0.266 175.166 174.900 0.000 0.000 0.977 56 G CA -0.072 45.033 45.100 0.009 0.000 0.641 56 G HN 0.656 nan 8.290 nan 0.000 0.533 57 Q N 0.707 120.505 119.800 -0.003 0.000 2.337 57 Q HA 0.495 4.834 4.340 -0.001 0.000 0.270 57 Q C 1.111 177.105 176.000 -0.010 0.000 1.002 57 Q CA -0.204 55.595 55.803 -0.006 0.000 0.888 57 Q CB 0.283 29.014 28.738 -0.013 0.000 1.222 57 Q HN 0.780 nan 8.270 nan 0.000 0.400 58 I N 0.356 120.927 120.570 0.001 0.000 2.934 58 I HA 0.614 4.783 4.170 -0.001 0.000 0.315 58 I C 0.373 176.500 176.117 0.016 0.000 0.997 58 I CA -0.617 60.687 61.300 0.006 0.000 1.184 58 I CB 1.612 39.622 38.000 0.017 0.000 1.400 58 I HN 0.729 nan 8.210 nan 0.000 0.549 59 T N -1.874 112.694 114.554 0.024 0.000 2.555 59 T HA 0.276 4.626 4.350 -0.001 0.000 0.234 59 T C 0.687 175.439 174.700 0.086 0.000 0.837 59 T CA 0.262 62.392 62.100 0.051 0.000 1.163 59 T CB 0.256 69.135 68.868 0.019 0.000 1.556 59 T HN 0.745 nan 8.240 nan 0.000 0.520 60 D N 0.409 120.881 120.400 0.120 0.000 2.178 60 D HA -0.083 4.556 4.640 -0.001 0.000 0.202 60 D C 1.112 177.349 176.300 -0.105 0.000 0.974 60 D CA 1.297 55.354 54.000 0.096 0.000 0.841 60 D CB -0.945 40.009 40.800 0.256 0.000 0.953 60 D HN 0.600 nan 8.370 nan 0.000 0.478 61 D N 0.461 120.830 120.400 -0.052 0.000 2.106 61 D HA -0.156 4.483 4.640 -0.001 0.000 0.191 61 D C 1.954 178.203 176.300 -0.084 0.000 0.997 61 D CA 2.601 56.553 54.000 -0.080 0.000 0.834 61 D CB -0.541 40.231 40.800 -0.046 0.000 0.956 61 D HN 0.258 nan 8.370 nan 0.000 0.448 62 T N 0.165 114.699 114.554 -0.033 0.000 2.851 62 T HA -0.048 4.301 4.350 -0.001 0.000 0.262 62 T C 1.718 176.402 174.700 -0.027 0.000 1.043 62 T CA 0.831 62.947 62.100 0.027 0.000 1.140 62 T CB -0.217 68.683 68.868 0.054 0.000 0.872 62 T HN 0.206 nan 8.240 nan 0.000 0.446 63 E N 0.986 121.120 120.200 -0.110 0.000 2.077 63 E HA -0.040 4.309 4.350 -0.001 0.000 0.193 63 E C 2.232 178.517 176.600 -0.526 0.000 0.989 63 E CA 0.978 57.244 56.400 -0.224 0.000 0.800 63 E CB -0.193 29.459 29.700 -0.080 0.000 0.746 63 E HN 0.461 nan 8.360 nan 0.000 0.452 64 M N 0.307 119.484 119.600 -0.706 0.000 2.175 64 M HA -0.115 4.364 4.480 -0.001 0.000 0.264 64 M C 2.428 178.595 176.300 -0.223 0.000 1.063 64 M CA 0.920 55.790 55.300 -0.717 0.000 1.119 64 M CB -0.101 32.002 32.600 -0.828 0.000 1.377 64 M HN -0.007 nan 8.290 nan 0.000 0.415 65 S N 1.219 116.843 115.700 -0.128 0.000 2.359 65 S HA -0.105 4.365 4.470 -0.001 0.000 0.224 65 S C 1.880 176.572 174.600 0.154 0.000 1.035 65 S CA 1.218 59.422 58.200 0.007 0.000 1.018 65 S CB -0.442 62.763 63.200 0.007 0.000 0.876 65 S HN 0.402 nan 8.310 nan 0.000 0.448 66 L N 0.981 122.296 121.223 0.153 0.000 2.093 66 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 66 L C 2.750 179.669 176.870 0.081 0.000 1.085 66 L CA 1.061 55.985 54.840 0.139 0.000 0.755 66 L CB -0.662 41.420 42.059 0.039 0.000 0.904 66 L HN 0.322 nan 8.230 nan 0.000 0.435 67 A N 0.156 123.003 122.820 0.045 0.000 1.902 67 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 67 A C 2.207 179.841 177.584 0.082 0.000 1.181 67 A CA 1.659 53.754 52.037 0.098 0.000 0.623 67 A CB -0.636 18.473 19.000 0.181 0.000 0.818 67 A HN 0.336 nan 8.150 nan 0.000 0.443 68 L N 0.143 121.449 121.223 0.139 0.000 2.046 68 L HA 0.008 4.348 4.340 -0.001 0.000 0.208 68 L C 2.316 179.194 176.870 0.014 0.000 1.077 68 L CA 2.466 57.319 54.840 0.021 0.000 0.747 68 L CB -1.085 41.033 42.059 0.100 0.000 0.896 68 L HN 0.262 nan 8.230 nan 0.000 0.432 69 G N -0.880 107.972 108.800 0.087 0.000 2.422 69 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.218 69 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.218 69 G C 1.766 176.706 174.900 0.067 0.000 1.146 69 G CA 0.691 45.862 45.100 0.118 0.000 0.769 69 G HN 0.381 nan 8.290 nan 0.000 0.547 70 R N 0.137 120.664 120.500 0.046 0.000 2.083 70 R HA -0.083 4.256 4.340 -0.001 0.000 0.237 70 R C 2.939 179.234 176.300 -0.008 0.000 1.137 70 R CA 1.548 57.660 56.100 0.020 0.000 0.951 70 R CB -0.455 29.858 30.300 0.021 0.000 0.851 70 R HN 0.417 nan 8.270 nan 0.000 0.434 71 S N 0.639 116.313 115.700 -0.042 0.000 2.356 71 S HA -0.081 4.389 4.470 -0.001 0.000 0.223 71 S C 1.977 176.527 174.600 -0.083 0.000 1.032 71 S CA 1.019 59.166 58.200 -0.088 0.000 1.005 71 S CB -0.143 62.957 63.200 -0.167 0.000 0.867 71 S HN 0.213 nan 8.310 nan 0.000 0.449 72 L N 1.038 122.223 121.223 -0.063 0.000 2.046 72 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 72 L C 2.981 179.862 176.870 0.017 0.000 1.077 72 L CA 1.292 56.112 54.840 -0.033 0.000 0.747 72 L CB -0.720 41.364 42.059 0.041 0.000 0.896 72 L HN 0.415 nan 8.230 nan 0.000 0.432 73 A N 0.001 122.840 122.820 0.031 0.000 1.898 73 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 73 A C 2.543 180.137 177.584 0.017 0.000 1.181 73 A CA 1.555 53.614 52.037 0.038 0.000 0.620 73 A CB -0.695 18.330 19.000 0.042 0.000 0.819 73 A HN 0.371 nan 8.150 nan 0.000 0.442 74 A N -0.494 122.326 122.820 0.001 0.000 1.902 74 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 74 A C 2.065 179.640 177.584 -0.015 0.000 1.181 74 A CA 1.746 53.779 52.037 -0.007 0.000 0.623 74 A CB -0.257 18.735 19.000 -0.014 0.000 0.818 74 A HN 0.334 nan 8.150 nan 0.000 0.443 75 K N -1.860 118.521 120.400 -0.033 0.000 2.314 75 K HA 0.125 4.444 4.320 -0.001 0.000 0.198 75 K C 1.285 177.869 176.600 -0.026 0.000 1.045 75 K CA 0.824 57.084 56.287 -0.045 0.000 0.988 75 K CB -0.268 32.179 32.500 -0.088 0.000 0.783 75 K HN 0.792 nan 8.250 nan 0.000 0.484 76 G N 1.797 110.596 108.800 -0.002 0.000 2.153 76 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.252 76 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.252 76 G C 0.247 175.190 174.900 0.072 0.000 0.994 76 G CA 1.222 46.347 45.100 0.042 0.000 0.698 76 G HN 0.466 nan 8.290 nan 0.000 0.521 77 T N -1.954 112.588 114.554 -0.020 0.000 2.700 77 T HA 0.497 4.846 4.350 -0.001 0.000 0.307 77 T C -1.231 173.127 174.700 -0.569 0.000 1.580 77 T CA 0.039 62.060 62.100 -0.132 0.000 0.992 77 T CB 0.884 69.726 68.868 -0.043 0.000 1.577 77 T HN 1.307 nan 8.240 nan 0.000 0.496 78 L N 3.288 123.838 121.223 -1.121 0.000 2.385 78 L HA 0.556 4.896 4.340 -0.001 0.000 0.281 78 L C -0.611 175.936 176.870 -0.539 0.000 1.106 78 L CA 0.377 54.554 54.840 -1.104 0.000 0.856 78 L CB 0.214 41.268 42.059 -1.674 0.000 1.186 78 L HN 0.550 nan 8.230 nan 0.000 0.453 79 D N 4.067 124.229 120.400 -0.397 0.000 2.420 79 D HA 0.139 4.779 4.640 -0.001 0.000 0.255 79 D C 0.894 177.037 176.300 -0.262 0.000 1.185 79 D CA -0.307 53.537 54.000 -0.261 0.000 0.904 79 D CB 1.507 42.190 40.800 -0.195 0.000 1.102 79 D HN 0.370 nan 8.370 nan 0.000 0.534 80 V N 3.374 123.146 119.914 -0.238 0.000 2.287 80 V HA -0.244 3.875 4.120 -0.001 0.000 0.248 80 V C 2.610 178.538 176.094 -0.276 0.000 1.053 80 V CA 2.271 64.427 62.300 -0.240 0.000 1.027 80 V CB -0.737 30.988 31.823 -0.164 0.000 0.646 80 V HN 0.643 nan 8.190 nan 0.000 0.447 81 A N 0.028 122.728 122.820 -0.200 0.000 1.908 81 A HA -0.329 3.990 4.320 -0.001 0.000 0.218 81 A C 2.043 179.482 177.584 -0.242 0.000 1.181 81 A CA 2.357 54.276 52.037 -0.195 0.000 0.627 81 A CB -0.745 18.248 19.000 -0.012 0.000 0.818 81 A HN 0.614 nan 8.150 nan 0.000 0.445 82 D N -0.364 119.918 120.400 -0.196 0.000 2.117 82 D HA -0.100 4.539 4.640 -0.001 0.000 0.198 82 D C 1.732 177.869 176.300 -0.270 0.000 0.982 82 D CA 1.327 55.220 54.000 -0.179 0.000 0.828 82 D CB -0.201 40.512 40.800 -0.145 0.000 0.967 82 D HN 0.492 nan 8.370 nan 0.000 0.464 83 I N -0.053 120.289 120.570 -0.380 0.000 2.208 83 I HA -0.328 3.841 4.170 -0.001 0.000 0.245 83 I C 2.408 178.042 176.117 -0.805 0.000 1.097 83 I CA 0.565 61.507 61.300 -0.597 0.000 1.363 83 I CB -0.320 37.301 38.000 -0.632 0.000 1.051 83 I HN 0.245 nan 8.210 nan 0.000 0.413 84 C N 0.674 119.568 119.300 -0.676 0.000 2.413 84 C HA -0.147 4.312 4.460 -0.001 0.000 0.276 84 C C 2.755 177.518 174.990 -0.377 0.000 1.248 84 C CA 0.795 59.395 59.018 -0.697 0.000 1.742 84 C CB -0.983 25.908 27.740 -1.414 0.000 2.017 84 C HN 0.491 nan 8.230 nan 0.000 0.481 85 E N 0.624 120.674 120.200 -0.250 0.000 2.106 85 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 85 E C 2.129 178.766 176.600 0.061 0.000 0.984 85 E CA 0.918 57.337 56.400 0.032 0.000 0.806 85 E CB -0.420 29.312 29.700 0.055 0.000 0.750 85 E HN 0.660 nan 8.360 nan 0.000 0.458 86 E N 0.083 120.269 120.200 -0.024 0.000 2.072 86 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 86 E C 1.985 178.761 176.600 0.294 0.000 0.985 86 E CA 0.465 56.907 56.400 0.070 0.000 0.801 86 E CB -0.238 29.442 29.700 -0.033 0.000 0.750 86 E HN 0.223 nan 8.360 nan 0.000 0.452 87 F N 1.166 121.173 119.950 0.095 0.000 2.134 87 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 87 F C 2.470 178.449 175.800 0.299 0.000 1.097 87 F CA 0.705 58.833 58.000 0.213 0.000 1.264 87 F CB -1.404 37.669 39.000 0.123 0.000 1.001 87 F HN -0.024 nan 8.300 nan 0.000 0.479 88 A N 0.277 123.332 122.820 0.393 0.000 1.902 88 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 88 A C 2.382 180.098 177.584 0.220 0.000 1.181 88 A CA 1.275 53.486 52.037 0.291 0.000 0.623 88 A CB -1.068 18.106 19.000 0.290 0.000 0.818 88 A HN 0.353 nan 8.150 nan 0.000 0.443 89 L N -2.380 118.975 121.223 0.219 0.000 2.083 89 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 89 L C 2.538 179.528 176.870 0.199 0.000 1.083 89 L CA 1.656 56.599 54.840 0.171 0.000 0.752 89 L CB -0.565 41.585 42.059 0.152 0.000 0.899 89 L HN 0.788 nan 8.230 nan 0.000 0.433 90 W N 1.044 122.405 121.300 0.101 0.000 2.354 90 W HA -0.261 4.398 4.660 -0.001 0.000 0.315 90 W C 2.293 178.846 176.519 0.057 0.000 1.206 90 W CA 1.429 58.822 57.345 0.081 0.000 1.290 90 W CB -0.439 29.083 29.460 0.103 0.000 1.152 90 W HN 0.017 nan 8.180 nan 0.000 0.489 91 L N 1.818 122.931 121.223 -0.184 0.000 2.083 91 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 91 L C 2.208 178.921 176.870 -0.262 0.000 1.083 91 L CA 2.105 56.686 54.840 -0.432 0.000 0.752 91 L CB -0.931 41.040 42.059 -0.147 0.000 0.899 91 L HN -0.026 nan 8.230 nan 0.000 0.433 92 K N -0.840 119.501 120.400 -0.099 0.000 2.365 92 K HA -0.024 4.296 4.320 -0.001 0.000 0.199 92 K C 1.920 178.475 176.600 -0.074 0.000 1.045 92 K CA 1.068 57.319 56.287 -0.060 0.000 0.962 92 K CB -0.160 32.342 32.500 0.004 0.000 0.759 92 K HN 0.547 nan 8.250 nan 0.000 0.469 93 S N 0.708 116.349 115.700 -0.098 0.000 2.561 93 S HA 0.003 4.472 4.470 -0.001 0.000 0.225 93 S C 0.162 174.689 174.600 -0.122 0.000 0.977 93 S CA -0.207 57.947 58.200 -0.078 0.000 0.926 93 S CB -0.270 62.914 63.200 -0.027 0.000 0.769 93 S HN 0.234 nan 8.310 nan 0.000 0.533 94 R N 0.791 121.175 120.500 -0.193 0.000 2.855 94 R HA -0.078 4.261 4.340 -0.001 0.000 0.288 94 R C -2.815 173.361 176.300 -0.208 0.000 0.942 94 R CA 0.252 56.236 56.100 -0.193 0.000 0.705 94 R CB -1.976 28.257 30.300 -0.112 0.000 1.791 94 R HN 0.430 nan 8.270 nan 0.000 0.478 95 P HA 0.040 nan 4.420 nan 0.000 0.274 95 P C 0.797 178.023 177.300 -0.123 0.000 1.246 95 P CA -0.644 62.319 63.100 -0.227 0.000 0.795 95 P CB 0.788 32.234 31.700 -0.422 0.000 1.006 96 V N -0.555 119.331 119.914 -0.045 0.000 2.490 96 V HA -0.128 3.991 4.120 -0.001 0.000 0.250 96 V C 0.308 176.347 176.094 -0.092 0.000 1.061 96 V CA 2.215 64.472 62.300 -0.070 0.000 1.064 96 V CB -0.610 31.173 31.823 -0.066 0.000 0.670 96 V HN 0.639 nan 8.190 nan 0.000 0.461 97 D N -1.782 118.602 120.400 -0.027 0.000 2.947 97 D HA 0.477 5.117 4.640 -0.001 0.000 0.224 97 D C -1.504 174.862 176.300 0.109 0.000 1.230 97 D CA 0.056 54.062 54.000 0.009 0.000 0.871 97 D CB 2.280 43.075 40.800 -0.007 0.000 1.671 97 D HN 0.040 nan 8.370 nan 0.000 0.507 98 V N 2.467 122.439 119.914 0.096 0.000 2.808 98 V HA 0.881 5.001 4.120 -0.001 0.000 0.308 98 V C 0.099 176.294 176.094 0.168 0.000 1.099 98 V CA -0.131 62.268 62.300 0.165 0.000 0.920 98 V CB 1.691 33.490 31.823 -0.038 0.000 1.014 98 V HN 0.607 nan 8.190 nan 0.000 0.425 99 G N 3.893 112.811 108.800 0.197 0.000 2.527 99 G HA2 0.165 4.124 3.960 -0.001 0.000 0.248 99 G HA3 0.165 4.124 3.960 -0.001 0.000 0.248 99 G C 0.679 175.650 174.900 0.119 0.000 1.231 99 G CA 0.145 45.343 45.100 0.165 0.000 0.838 99 G HN 1.277 nan 8.290 nan 0.000 0.570 100 N N 0.016 118.772 118.700 0.093 0.000 2.166 100 N HA -0.172 4.568 4.740 -0.001 0.000 0.186 100 N C 1.709 177.231 175.510 0.019 0.000 1.019 100 N CA 2.058 55.139 53.050 0.051 0.000 0.856 100 N CB -0.208 38.302 38.487 0.039 0.000 0.993 100 N HN 0.377 nan 8.380 nan 0.000 0.426 101 T N -0.549 114.003 114.554 -0.003 0.000 2.812 101 T HA -0.071 4.279 4.350 -0.001 0.000 0.264 101 T C 2.088 176.753 174.700 -0.058 0.000 1.042 101 T CA 1.081 63.115 62.100 -0.110 0.000 1.140 101 T CB -0.655 68.019 68.868 -0.324 0.000 0.870 101 T HN 0.423 nan 8.240 nan 0.000 0.445 102 C N 1.181 120.513 119.300 0.053 0.000 2.436 102 C HA -0.005 4.455 4.460 -0.001 0.000 0.277 102 C C 2.895 177.949 174.990 0.106 0.000 1.241 102 C CA 0.514 59.594 59.018 0.104 0.000 1.721 102 C CB -0.927 26.900 27.740 0.145 0.000 2.043 102 C HN 0.537 nan 8.230 nan 0.000 0.472 103 R N 0.768 121.324 120.500 0.092 0.000 2.096 103 R HA -0.193 4.146 4.340 -0.001 0.000 0.240 103 R C 2.501 178.837 176.300 0.060 0.000 1.139 103 R CA 1.759 57.897 56.100 0.065 0.000 0.952 103 R CB -0.425 29.895 30.300 0.033 0.000 0.854 103 R HN 0.495 nan 8.270 nan 0.000 0.436 104 R N -0.644 119.880 120.500 0.039 0.000 2.083 104 R HA -0.116 4.223 4.340 -0.001 0.000 0.237 104 R C 2.217 178.556 176.300 0.065 0.000 1.137 104 R CA 1.809 57.928 56.100 0.033 0.000 0.951 104 R CB -0.538 29.761 30.300 -0.001 0.000 0.851 104 R HN 0.438 nan 8.270 nan 0.000 0.434 105 G N 0.553 109.395 108.800 0.071 0.000 2.402 105 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.216 105 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.216 105 G C 1.454 176.467 174.900 0.187 0.000 1.162 105 G CA 0.592 45.762 45.100 0.116 0.000 0.777 105 G HN 0.246 nan 8.290 nan 0.000 0.539 106 I N 0.152 120.840 120.570 0.197 0.000 2.252 106 I HA -0.106 4.064 4.170 -0.001 0.000 0.245 106 I C 2.944 179.204 176.117 0.239 0.000 1.102 106 I CA 0.668 62.124 61.300 0.260 0.000 1.385 106 I CB -0.114 38.042 38.000 0.260 0.000 1.064 106 I HN -0.017 nan 8.210 nan 0.000 0.414 107 R N 0.528 121.125 120.500 0.160 0.000 2.096 107 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 107 R C 2.269 178.666 176.300 0.162 0.000 1.127 107 R CA 1.078 57.255 56.100 0.128 0.000 0.968 107 R CB -0.822 29.519 30.300 0.068 0.000 0.861 107 R HN 0.407 nan 8.270 nan 0.000 0.440 108 R N 0.042 120.645 120.500 0.172 0.000 2.080 108 R HA -0.220 4.120 4.340 -0.001 0.000 0.236 108 R C 2.220 178.627 176.300 0.179 0.000 1.137 108 R CA 1.838 58.055 56.100 0.195 0.000 0.943 108 R CB -0.537 29.859 30.300 0.161 0.000 0.846 108 R HN 0.222 nan 8.270 nan 0.000 0.431 109 Y N 0.956 121.317 120.300 0.100 0.000 2.165 109 Y HA -0.201 4.348 4.550 -0.001 0.000 0.286 109 Y C 2.220 178.159 175.900 0.065 0.000 1.155 109 Y CA 2.152 60.297 58.100 0.074 0.000 1.164 109 Y CB -0.273 38.240 38.460 0.088 0.000 0.978 109 Y HN 0.051 nan 8.280 nan 0.000 0.513 110 M N -0.918 118.691 119.600 0.015 0.000 2.213 110 M HA -0.226 4.254 4.480 -0.001 0.000 0.263 110 M C 2.373 178.637 176.300 -0.060 0.000 1.062 110 M CA 2.045 57.313 55.300 -0.053 0.000 1.105 110 M CB -0.568 32.089 32.600 0.094 0.000 1.385 110 M HN 0.494 nan 8.290 nan 0.000 0.417 111 H N 0.383 119.404 119.070 -0.082 0.000 2.370 111 H HA -0.034 4.522 4.556 -0.001 0.000 0.304 111 H C 1.420 176.699 175.328 -0.082 0.000 1.055 111 H CA 1.678 57.689 56.048 -0.062 0.000 1.373 111 H CB 0.364 30.113 29.762 -0.023 0.000 1.423 111 H HN 0.563 nan 8.280 nan 0.000 0.533 112 E N -0.659 119.274 120.200 -0.444 0.000 2.562 112 E HA 0.202 4.551 4.350 -0.001 0.000 0.214 112 E C 1.120 177.559 176.600 -0.268 0.000 0.979 112 E CA 0.322 56.435 56.400 -0.478 0.000 1.002 112 E CB 0.770 30.195 29.700 -0.459 0.000 1.048 112 E HN 0.495 nan 8.360 nan 0.000 0.488 113 G N 1.894 110.500 108.800 -0.322 0.000 2.155 113 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.257 113 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.257 113 G C 0.429 175.294 174.900 -0.059 0.000 0.983 113 G CA 0.782 45.661 45.100 -0.367 0.000 0.676 113 G HN 0.565 nan 8.290 nan 0.000 0.528 114 T N -1.413 113.164 114.554 0.039 0.000 2.832 114 T HA 0.536 4.885 4.350 -0.001 0.000 0.296 114 T C 1.415 176.289 174.700 0.290 0.000 0.968 114 T CA 0.686 62.868 62.100 0.137 0.000 1.107 114 T CB 1.580 70.496 68.868 0.081 0.000 0.916 114 T HN 0.859 nan 8.240 nan 0.000 0.517 115 T N -0.941 113.740 114.554 0.213 0.000 3.107 115 T HA 0.221 4.570 4.350 -0.001 0.000 0.249 115 T C 0.687 175.438 174.700 0.085 0.000 1.096 115 T CA -0.121 62.057 62.100 0.130 0.000 1.012 115 T CB 0.039 68.930 68.868 0.039 0.000 0.977 115 T HN 0.715 nan 8.240 nan 0.000 0.527 116 T N 1.371 115.986 114.554 0.101 0.000 2.861 116 T HA 0.679 5.028 4.350 -0.001 0.000 0.287 116 T C -0.691 174.068 174.700 0.098 0.000 1.003 116 T CA -0.570 61.584 62.100 0.089 0.000 0.977 116 T CB 1.249 70.161 68.868 0.073 0.000 0.996 116 T HN 0.430 nan 8.240 nan 0.000 0.448 117 A N 6.354 129.234 122.820 0.099 0.000 2.354 117 A HA 0.701 5.020 4.320 -0.001 0.000 0.269 117 A C -2.179 175.456 177.584 0.085 0.000 1.109 117 A CA -1.282 50.807 52.037 0.087 0.000 0.800 117 A CB -0.094 18.952 19.000 0.076 0.000 1.045 117 A HN 0.703 nan 8.150 nan 0.000 0.489 118 P HA 0.030 nan 4.420 nan 0.000 0.272 118 P C -0.634 176.724 177.300 0.096 0.000 1.230 118 P CA -0.019 63.133 63.100 0.088 0.000 0.788 118 P CB 0.283 32.025 31.700 0.070 0.000 0.949 119 Y N 1.321 121.648 120.300 0.045 0.000 2.610 119 Y HA 0.154 4.704 4.550 -0.001 0.000 0.332 119 Y C -0.295 175.637 175.900 0.053 0.000 1.201 119 Y CA 1.054 59.181 58.100 0.045 0.000 1.465 119 Y CB 0.288 38.759 38.460 0.018 0.000 1.283 119 Y HN 0.242 nan 8.280 nan 0.000 0.563 120 S N 5.796 120.901 115.700 -0.992 0.000 2.547 120 S HA 0.167 4.637 4.470 -0.001 0.000 0.281 120 S C 0.335 174.412 174.600 -0.872 0.000 1.118 120 S CA -0.914 56.854 58.200 -0.719 0.000 0.947 120 S CB 1.683 64.709 63.200 -0.290 0.000 1.053 120 S HN 0.763 nan 8.310 nan 0.000 0.482 121 E N 2.038 121.989 120.200 -0.414 0.000 2.209 121 E HA -0.116 4.233 4.350 -0.001 0.000 0.196 121 E C 1.686 178.285 176.600 -0.002 0.000 0.993 121 E CA 1.063 57.454 56.400 -0.014 0.000 0.819 121 E CB -0.186 29.561 29.700 0.079 0.000 0.745 121 E HN 0.829 nan 8.360 nan 0.000 0.477 122 G N 0.443 109.188 108.800 -0.091 0.000 3.042 122 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.212 122 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.212 122 G C 0.583 175.422 174.900 -0.102 0.000 1.166 122 G CA -0.185 44.862 45.100 -0.089 0.000 0.767 122 G HN 0.020 nan 8.290 nan 0.000 0.546 123 D N 0.772 121.112 120.400 -0.099 0.000 2.319 123 D HA 0.205 4.844 4.640 -0.001 0.000 0.230 123 D C 1.833 178.154 176.300 0.036 0.000 1.094 123 D CA 0.081 54.051 54.000 -0.050 0.000 0.856 123 D CB 0.508 41.291 40.800 -0.028 0.000 0.915 123 D HN 0.252 nan 8.370 nan 0.000 0.517 124 A N 0.337 123.023 122.820 -0.224 0.000 2.579 124 A HA 0.501 4.821 4.320 -0.001 0.000 0.273 124 A C 1.219 178.841 177.584 0.065 0.000 1.363 124 A CA -0.269 51.616 52.037 -0.253 0.000 0.953 124 A CB -0.348 18.288 19.000 -0.607 0.000 1.034 124 A HN 0.170 nan 8.150 nan 0.000 0.536 125 G N -0.075 108.817 108.800 0.153 0.000 2.588 125 G HA2 0.320 4.280 3.960 -0.001 0.000 0.281 125 G HA3 0.320 4.280 3.960 -0.001 0.000 0.281 125 G C 0.485 175.444 174.900 0.099 0.000 1.236 125 G CA 0.022 45.226 45.100 0.173 0.000 0.969 125 G HN 0.507 nan 8.290 nan 0.000 0.504 126 N N -1.302 117.420 118.700 0.037 0.000 2.230 126 N HA 0.095 4.834 4.740 -0.001 0.000 0.202 126 N C 1.678 177.094 175.510 -0.156 0.000 1.119 126 N CA 0.610 53.620 53.050 -0.067 0.000 0.851 126 N CB 0.339 38.804 38.487 -0.037 0.000 0.990 126 N HN 0.485 nan 8.380 nan 0.000 0.497 127 G N -0.191 108.507 108.800 -0.170 0.000 2.471 127 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.219 127 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.219 127 G C 1.398 176.079 174.900 -0.364 0.000 1.125 127 G CA 0.746 45.750 45.100 -0.160 0.000 0.775 127 G HN 0.524 nan 8.290 nan 0.000 0.548 128 A N 0.803 123.164 122.820 -0.765 0.000 1.943 128 A HA 0.556 4.876 4.320 -0.001 0.000 0.213 128 A C 2.720 180.165 177.584 -0.232 0.000 1.181 128 A CA 1.497 53.285 52.037 -0.414 0.000 0.653 128 A CB -0.525 18.238 19.000 -0.395 0.000 0.833 128 A HN 0.577 nan 8.150 nan 0.000 0.451 129 A N 0.947 123.628 122.820 -0.232 0.000 1.933 129 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 129 A C 2.261 179.758 177.584 -0.145 0.000 1.175 129 A CA 1.933 53.877 52.037 -0.155 0.000 0.628 129 A CB -0.816 18.106 19.000 -0.130 0.000 0.814 129 A HN 0.810 nan 8.150 nan 0.000 0.444 130 M N -0.322 119.189 119.600 -0.149 0.000 2.446 130 M HA -0.100 4.379 4.480 -0.001 0.000 0.263 130 M C 1.327 177.541 176.300 -0.143 0.000 1.066 130 M CA 1.993 57.213 55.300 -0.133 0.000 1.087 130 M CB -0.350 32.182 32.600 -0.114 0.000 1.406 130 M HN 0.442 nan 8.290 nan 0.000 0.459 131 R N -0.980 119.435 120.500 -0.142 0.000 2.586 131 R HA 0.330 4.670 4.340 -0.001 0.000 0.336 131 R C 0.842 177.077 176.300 -0.108 0.000 1.060 131 R CA -0.278 55.746 56.100 -0.127 0.000 1.079 131 R CB -0.703 29.530 30.300 -0.111 0.000 1.317 131 R HN 0.282 nan 8.270 nan 0.000 0.568 132 C N 0.453 119.679 119.300 -0.124 0.000 2.468 132 C HA 0.048 4.508 4.460 -0.001 0.000 0.277 132 C C 2.266 177.177 174.990 -0.132 0.000 1.400 132 C CA -0.020 58.935 59.018 -0.104 0.000 1.770 132 C CB -0.765 26.910 27.740 -0.109 0.000 1.905 132 C HN 0.594 nan 8.230 nan 0.000 0.519 133 L N 2.655 123.748 121.223 -0.216 0.000 1.990 133 L HA -0.084 4.256 4.340 -0.001 0.000 0.213 133 L C -0.658 176.066 176.870 -0.243 0.000 1.072 133 L CA 2.528 57.198 54.840 -0.284 0.000 0.755 133 L CB -1.767 40.005 42.059 -0.480 0.000 0.889 133 L HN 0.117 nan 8.230 nan 0.000 0.432 134 P HA -0.134 nan 4.420 nan 0.000 0.216 134 P C 1.482 178.804 177.300 0.037 0.000 1.150 134 P CA 1.943 64.991 63.100 -0.086 0.000 0.837 134 P CB -0.225 31.466 31.700 -0.014 0.000 0.786 135 A N -0.191 122.660 122.820 0.051 0.000 1.969 135 A HA -0.030 4.290 4.320 -0.001 0.000 0.218 135 A C 2.272 179.925 177.584 0.116 0.000 1.169 135 A CA 1.814 53.948 52.037 0.161 0.000 0.635 135 A CB -1.450 17.639 19.000 0.149 0.000 0.810 135 A HN 0.198 nan 8.150 nan 0.000 0.445 136 A N -0.191 122.653 122.820 0.039 0.000 1.897 136 A HA 0.068 4.388 4.320 -0.001 0.000 0.215 136 A C 2.115 179.795 177.584 0.160 0.000 1.181 136 A CA 1.264 53.352 52.037 0.084 0.000 0.620 136 A CB -0.499 18.503 19.000 0.004 0.000 0.821 136 A HN 0.450 nan 8.150 nan 0.000 0.443 137 L N -0.801 120.450 121.223 0.046 0.000 2.093 137 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 137 L C 2.961 179.846 176.870 0.025 0.000 1.085 137 L CA 1.030 55.878 54.840 0.013 0.000 0.755 137 L CB -0.537 41.529 42.059 0.011 0.000 0.904 137 L HN 0.420 nan 8.230 nan 0.000 0.435 138 A N -0.202 122.664 122.820 0.077 0.000 2.119 138 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 138 A C 2.075 179.631 177.584 -0.047 0.000 1.153 138 A CA 1.760 53.855 52.037 0.098 0.000 0.692 138 A CB -0.614 18.560 19.000 0.290 0.000 0.799 138 A HN 0.508 nan 8.150 nan 0.000 0.458 139 T N -3.350 111.156 114.554 -0.080 0.000 3.085 139 T HA 0.350 4.700 4.350 -0.001 0.000 0.264 139 T C 1.368 176.016 174.700 -0.086 0.000 1.019 139 T CA 0.046 62.034 62.100 -0.186 0.000 0.910 139 T CB -0.324 68.394 68.868 -0.250 0.000 1.059 139 T HN 0.207 nan 8.240 nan 0.000 0.542 140 L N 0.945 122.047 121.223 -0.203 0.000 2.081 140 L HA 0.059 4.398 4.340 -0.001 0.000 0.212 140 L C 2.741 179.466 176.870 -0.242 0.000 1.080 140 L CA 1.712 56.295 54.840 -0.428 0.000 0.754 140 L CB -0.496 41.366 42.059 -0.328 0.000 0.893 140 L HN 0.549 nan 8.230 nan 0.000 0.433 141 G N -3.237 105.489 108.800 -0.123 0.000 2.986 141 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.213 141 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.213 141 G C 0.088 174.986 174.900 -0.003 0.000 1.156 141 G CA -0.101 44.963 45.100 -0.061 0.000 0.763 141 G HN 0.397 nan 8.290 nan 0.000 0.547 142 H N -0.072 118.914 119.070 -0.139 0.000 2.429 142 H HA 0.374 4.930 4.556 -0.001 0.000 0.231 142 H C -1.977 173.261 175.328 -0.151 0.000 1.416 142 H CA -1.223 54.740 56.048 -0.140 0.000 1.443 142 H CB 1.690 31.351 29.762 -0.169 0.000 1.591 142 H HN -0.044 nan 8.280 nan 0.000 0.507 143 P HA -0.085 nan 4.420 nan 0.000 0.225 143 P C 1.305 178.517 177.300 -0.146 0.000 1.148 143 P CA 1.222 64.291 63.100 -0.052 0.000 0.779 143 P CB 0.255 31.948 31.700 -0.012 0.000 0.780 144 A N -0.146 122.522 122.820 -0.253 0.000 2.070 144 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 144 A C 1.825 179.347 177.584 -0.104 0.000 1.159 144 A CA 1.699 53.628 52.037 -0.179 0.000 0.656 144 A CB -1.044 17.822 19.000 -0.224 0.000 0.800 144 A HN 0.084 nan 8.150 nan 0.000 0.453 145 D N -0.886 119.428 120.400 -0.144 0.000 2.347 145 D HA -0.006 4.634 4.640 -0.001 0.000 0.213 145 D C 1.715 177.796 176.300 -0.364 0.000 0.985 145 D CA 0.323 54.121 54.000 -0.336 0.000 0.879 145 D CB -0.039 40.265 40.800 -0.826 0.000 0.919 145 D HN 0.379 nan 8.370 nan 0.000 0.526 146 L N 1.522 122.592 121.223 -0.254 0.000 1.990 146 L HA -0.199 4.140 4.340 -0.001 0.000 0.213 146 L C 2.099 178.906 176.870 -0.105 0.000 1.072 146 L CA 1.967 56.671 54.840 -0.227 0.000 0.755 146 L CB -0.452 41.373 42.059 -0.391 0.000 0.889 146 L HN -0.039 nan 8.230 nan 0.000 0.432 147 E N -0.330 119.822 120.200 -0.079 0.000 2.017 147 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 147 E C -0.515 176.122 176.600 0.063 0.000 0.997 147 E CA 1.617 58.006 56.400 -0.019 0.000 0.804 147 E CB -0.886 28.802 29.700 -0.019 0.000 0.757 147 E HN 0.443 nan 8.360 nan 0.000 0.448 148 P HA -0.163 nan 4.420 nan 0.000 0.216 148 P C 0.792 178.266 177.300 0.290 0.000 1.150 148 P CA 1.258 64.474 63.100 0.194 0.000 0.837 148 P CB -0.310 31.536 31.700 0.243 0.000 0.786 149 W N -0.147 121.146 121.300 -0.011 0.000 2.407 149 W HA -0.038 4.622 4.660 -0.001 0.000 0.305 149 W C 2.565 179.067 176.519 -0.027 0.000 1.196 149 W CA 0.235 57.569 57.345 -0.018 0.000 1.311 149 W CB -1.803 27.649 29.460 -0.013 0.000 1.135 149 W HN -0.243 nan 8.180 nan 0.000 0.514 150 V N 0.684 120.713 119.914 0.192 0.000 2.332 150 V HA -0.295 3.825 4.120 -0.001 0.000 0.248 150 V C 2.208 178.339 176.094 0.062 0.000 1.055 150 V CA 1.728 64.076 62.300 0.079 0.000 1.038 150 V CB -0.862 30.963 31.823 0.004 0.000 0.651 150 V HN 0.104 nan 8.190 nan 0.000 0.450 151 L N -0.477 120.788 121.223 0.071 0.000 2.109 151 L HA -0.060 4.280 4.340 -0.001 0.000 0.207 151 L C 2.705 179.615 176.870 0.066 0.000 1.086 151 L CA 1.263 56.142 54.840 0.066 0.000 0.760 151 L CB -0.821 41.279 42.059 0.067 0.000 0.910 151 L HN 0.349 nan 8.230 nan 0.000 0.437 152 A N 0.981 123.836 122.820 0.059 0.000 1.883 152 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 152 A C 2.222 179.812 177.584 0.009 0.000 1.186 152 A CA 2.029 54.078 52.037 0.021 0.000 0.624 152 A CB -0.584 18.400 19.000 -0.027 0.000 0.822 152 A HN 0.567 nan 8.150 nan 0.000 0.444 153 Q N -0.014 119.792 119.800 0.010 0.000 2.124 153 Q HA 0.100 4.439 4.340 -0.001 0.000 0.202 153 Q C 1.870 177.940 176.000 0.117 0.000 0.977 153 Q CA 2.200 58.021 55.803 0.031 0.000 0.850 153 Q CB -0.891 27.866 28.738 0.031 0.000 0.901 153 Q HN 0.465 nan 8.270 nan 0.000 0.429 154 A N 1.135 124.009 122.820 0.091 0.000 1.898 154 A HA -0.094 4.225 4.320 -0.001 0.000 0.216 154 A C 2.166 179.840 177.584 0.150 0.000 1.181 154 A CA 1.414 53.508 52.037 0.095 0.000 0.620 154 A CB -0.450 18.581 19.000 0.051 0.000 0.819 154 A HN 0.378 nan 8.150 nan 0.000 0.442 155 R N -0.486 120.090 120.500 0.127 0.000 2.316 155 R HA 0.137 4.476 4.340 -0.001 0.000 0.202 155 R C 1.586 177.967 176.300 0.134 0.000 1.029 155 R CA 0.531 56.712 56.100 0.135 0.000 1.018 155 R CB -0.404 29.960 30.300 0.107 0.000 0.888 155 R HN 0.598 nan 8.270 nan 0.000 0.471 156 I N 0.164 120.820 120.570 0.143 0.000 2.264 156 I HA -0.320 3.850 4.170 -0.001 0.000 0.248 156 I C 2.275 178.504 176.117 0.187 0.000 1.111 156 I CA 1.976 63.371 61.300 0.158 0.000 1.382 156 I CB -0.264 37.858 38.000 0.202 0.000 1.060 156 I HN 0.335 nan 8.210 nan 0.000 0.418 157 T N -4.216 110.471 114.554 0.220 0.000 3.019 157 T HA 0.125 4.474 4.350 -0.001 0.000 0.247 157 T C 0.404 175.148 174.700 0.073 0.000 0.992 157 T CA -0.101 62.105 62.100 0.177 0.000 1.036 157 T CB 0.001 69.018 68.868 0.248 0.000 1.063 157 T HN 0.128 nan 8.240 nan 0.000 0.476 158 H N 1.466 120.580 119.070 0.073 0.000 2.646 158 H HA 0.574 5.130 4.556 -0.001 0.000 0.328 158 H C -0.883 174.503 175.328 0.097 0.000 0.998 158 H CA -0.823 55.267 56.048 0.071 0.000 1.225 158 H CB 0.952 30.752 29.762 0.064 0.000 1.457 158 H HN 0.361 nan 8.280 nan 0.000 0.505 159 N N 3.227 122.035 118.700 0.180 0.000 2.626 159 N HA 0.157 4.896 4.740 -0.001 0.000 0.249 159 N C -1.547 174.128 175.510 0.276 0.000 1.021 159 N CA -0.349 52.824 53.050 0.204 0.000 0.886 159 N CB 0.542 39.131 38.487 0.171 0.000 1.149 159 N HN 0.600 nan 8.380 nan 0.000 0.517 160 H N 3.384 122.585 119.070 0.218 0.000 3.087 160 H HA 0.208 4.764 4.556 -0.001 0.000 0.348 160 H C -2.386 173.070 175.328 0.214 0.000 1.092 160 H CA -1.127 55.089 56.048 0.280 0.000 1.285 160 H CB 2.523 32.393 29.762 0.181 0.000 1.875 160 H HN 0.338 nan 8.280 nan 0.000 0.512 161 P HA -0.179 nan 4.420 nan 0.000 0.216 161 P C 1.593 178.979 177.300 0.145 0.000 1.154 161 P CA 0.917 64.094 63.100 0.129 0.000 0.865 161 P CB 0.436 32.168 31.700 0.053 0.000 0.789 162 L N -1.105 120.311 121.223 0.323 0.000 2.109 162 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 162 L C 2.558 179.575 176.870 0.246 0.000 1.086 162 L CA 1.773 56.735 54.840 0.203 0.000 0.760 162 L CB -1.949 40.194 42.059 0.141 0.000 0.910 162 L HN 0.002 nan 8.230 nan 0.000 0.437 163 S N -0.742 115.099 115.700 0.235 0.000 2.355 163 S HA -0.172 4.298 4.470 -0.001 0.000 0.222 163 S C 1.706 176.364 174.600 0.096 0.000 1.031 163 S CA 1.341 59.624 58.200 0.138 0.000 0.993 163 S CB -0.166 63.129 63.200 0.159 0.000 0.859 163 S HN 0.425 nan 8.310 nan 0.000 0.453 164 D N 1.644 122.122 120.400 0.129 0.000 2.104 164 D HA -0.029 4.611 4.640 -0.001 0.000 0.194 164 D C 2.259 178.592 176.300 0.054 0.000 0.994 164 D CA 1.437 55.492 54.000 0.091 0.000 0.830 164 D CB -0.759 40.110 40.800 0.115 0.000 0.959 164 D HN 0.509 nan 8.370 nan 0.000 0.452 165 A N 0.938 123.800 122.820 0.069 0.000 1.902 165 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 165 A C 2.304 179.818 177.584 -0.117 0.000 1.181 165 A CA 2.296 54.349 52.037 0.028 0.000 0.623 165 A CB -0.701 18.368 19.000 0.114 0.000 0.818 165 A HN 0.245 nan 8.150 nan 0.000 0.443 166 A N -1.043 121.693 122.820 -0.140 0.000 1.898 166 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 166 A C 2.306 179.805 177.584 -0.141 0.000 1.181 166 A CA 1.554 53.461 52.037 -0.218 0.000 0.620 166 A CB -1.263 17.675 19.000 -0.104 0.000 0.819 166 A HN 0.588 nan 8.150 nan 0.000 0.442 167 C N -1.267 117.981 119.300 -0.087 0.000 2.413 167 C HA -0.107 4.353 4.460 -0.001 0.000 0.276 167 C C 2.538 177.472 174.990 -0.092 0.000 1.236 167 C CA 1.273 60.240 59.018 -0.084 0.000 1.735 167 C CB -1.399 26.312 27.740 -0.050 0.000 2.031 167 C HN 0.659 nan 8.230 nan 0.000 0.474 168 L N 0.763 121.941 121.223 -0.075 0.000 2.056 168 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 168 L C 2.538 179.340 176.870 -0.113 0.000 1.078 168 L CA 2.118 56.907 54.840 -0.085 0.000 0.749 168 L CB -1.133 40.899 42.059 -0.046 0.000 0.901 168 L HN 0.304 nan 8.230 nan 0.000 0.433 169 T N -0.184 114.302 114.554 -0.113 0.000 2.708 169 T HA -0.194 4.156 4.350 -0.001 0.000 0.266 169 T C 1.962 176.589 174.700 -0.122 0.000 1.037 169 T CA 1.904 63.938 62.100 -0.110 0.000 1.146 169 T CB -0.372 68.407 68.868 -0.149 0.000 0.865 169 T HN 0.278 nan 8.240 nan 0.000 0.435 170 L N 0.633 121.767 121.223 -0.148 0.000 2.012 170 L HA -0.070 4.270 4.340 -0.001 0.000 0.210 170 L C 3.019 179.790 176.870 -0.165 0.000 1.073 170 L CA 1.522 56.265 54.840 -0.162 0.000 0.748 170 L CB -1.022 40.938 42.059 -0.166 0.000 0.891 170 L HN 0.373 nan 8.230 nan 0.000 0.431 171 G N -0.498 108.197 108.800 -0.175 0.000 2.418 171 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 171 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 171 G C 1.743 176.454 174.900 -0.315 0.000 1.158 171 G CA 0.532 45.498 45.100 -0.224 0.000 0.771 171 G HN 0.273 nan 8.290 nan 0.000 0.545 172 R N -0.575 119.745 120.500 -0.300 0.000 2.096 172 R HA 0.090 4.429 4.340 -0.001 0.000 0.235 172 R C 2.756 178.819 176.300 -0.394 0.000 1.127 172 R CA 1.286 57.157 56.100 -0.381 0.000 0.968 172 R CB -0.298 29.856 30.300 -0.243 0.000 0.861 172 R HN 0.362 nan 8.270 nan 0.000 0.440 173 M N -0.148 119.370 119.600 -0.138 0.000 2.117 173 M HA -0.159 4.320 4.480 -0.001 0.000 0.262 173 M C 2.261 178.544 176.300 -0.028 0.000 1.065 173 M CA 1.396 56.703 55.300 0.012 0.000 1.114 173 M CB -0.148 32.432 32.600 -0.033 0.000 1.361 173 M HN -0.007 nan 8.290 nan 0.000 0.408 174 V N -0.298 119.570 119.914 -0.076 0.000 2.332 174 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 174 V C 2.164 178.282 176.094 0.040 0.000 1.055 174 V CA 1.861 64.141 62.300 -0.033 0.000 1.038 174 V CB -1.041 30.756 31.823 -0.043 0.000 0.651 174 V HN 0.496 nan 8.190 nan 0.000 0.450 175 H N -1.247 117.716 119.070 -0.179 0.000 2.321 175 H HA -0.161 4.395 4.556 -0.001 0.000 0.300 175 H C 2.461 177.716 175.328 -0.123 0.000 1.087 175 H CA 1.678 57.615 56.048 -0.184 0.000 1.319 175 H CB -0.014 29.591 29.762 -0.262 0.000 1.379 175 H HN 0.524 nan 8.280 nan 0.000 0.501 176 H N 0.599 119.724 119.070 0.091 0.000 2.319 176 H HA -0.120 4.435 4.556 -0.001 0.000 0.299 176 H C 2.623 177.964 175.328 0.021 0.000 1.092 176 H CA 1.071 57.145 56.048 0.044 0.000 1.302 176 H CB -0.435 29.355 29.762 0.046 0.000 1.373 176 H HN 0.284 nan 8.280 nan 0.000 0.497 177 L N 0.004 121.309 121.223 0.137 0.000 2.056 177 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 177 L C 2.592 179.477 176.870 0.025 0.000 1.078 177 L CA 0.913 55.792 54.840 0.065 0.000 0.749 177 L CB -0.323 41.752 42.059 0.026 0.000 0.901 177 L HN 0.136 nan 8.230 nan 0.000 0.433 178 I N -0.327 120.243 120.570 -0.001 0.000 2.676 178 I HA -0.121 4.049 4.170 -0.001 0.000 0.259 178 I C 2.289 178.389 176.117 -0.029 0.000 1.194 178 I CA 1.023 62.306 61.300 -0.028 0.000 1.473 178 I CB -0.581 37.381 38.000 -0.063 0.000 1.096 178 I HN 0.251 nan 8.210 nan 0.000 0.443 179 G N 0.151 108.941 108.800 -0.018 0.000 2.848 179 G HA2 0.146 4.105 3.960 -0.001 0.000 0.208 179 G HA3 0.146 4.105 3.960 -0.001 0.000 0.208 179 G C 1.346 176.256 174.900 0.016 0.000 1.152 179 G CA 0.460 45.556 45.100 -0.008 0.000 0.789 179 G HN 0.534 nan 8.290 nan 0.000 0.531 180 G N -0.068 108.747 108.800 0.024 0.000 2.176 180 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.252 180 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.252 180 G C 0.989 175.908 174.900 0.033 0.000 1.024 180 G CA 0.426 45.541 45.100 0.026 0.000 0.755 180 G HN 0.554 nan 8.290 nan 0.000 0.507 181 R N -0.099 120.432 120.500 0.051 0.000 2.312 181 R HA 0.427 4.767 4.340 -0.001 0.000 0.205 181 R C 1.700 178.019 176.300 0.032 0.000 0.904 181 R CA 0.680 56.804 56.100 0.040 0.000 1.052 181 R CB 0.247 30.579 30.300 0.054 0.000 1.014 181 R HN 1.489 nan 8.270 nan 0.000 0.503 182 G N 1.019 109.850 108.800 0.052 0.000 2.796 182 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.226 182 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.226 182 G C 0.421 175.373 174.900 0.086 0.000 1.381 182 G CA 0.026 45.156 45.100 0.051 0.000 0.867 182 G HN 0.209 nan 8.290 nan 0.000 0.552 183 M N -0.326 119.329 119.600 0.092 0.000 2.202 183 M HA -0.078 4.401 4.480 -0.001 0.000 0.262 183 M C 2.613 179.009 176.300 0.160 0.000 1.063 183 M CA 2.463 57.867 55.300 0.172 0.000 1.097 183 M CB -0.244 32.386 32.600 0.050 0.000 1.382 183 M HN 0.596 nan 8.290 nan 0.000 0.413 184 K N 0.372 120.802 120.400 0.050 0.000 2.044 184 K HA -0.181 4.138 4.320 -0.001 0.000 0.210 184 K C 1.729 178.303 176.600 -0.043 0.000 1.049 184 K CA 1.888 58.167 56.287 -0.013 0.000 0.927 184 K CB -0.357 32.127 32.500 -0.026 0.000 0.713 184 K HN 0.481 nan 8.250 nan 0.000 0.443 185 A N 0.187 122.965 122.820 -0.070 0.000 1.968 185 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 185 A C 2.590 180.047 177.584 -0.213 0.000 1.169 185 A CA 1.343 53.229 52.037 -0.251 0.000 0.638 185 A CB -0.695 18.052 19.000 -0.422 0.000 0.812 185 A HN 0.477 nan 8.150 nan 0.000 0.446 186 C N -0.000 119.341 119.300 0.069 0.000 2.440 186 C HA -0.088 4.371 4.460 -0.001 0.000 0.278 186 C C 2.811 178.012 174.990 0.352 0.000 1.295 186 C CA 1.021 60.216 59.018 0.295 0.000 1.738 186 C CB -1.272 26.746 27.740 0.464 0.000 1.987 186 C HN 0.742 nan 8.230 nan 0.000 0.492 187 R N 1.643 122.243 120.500 0.166 0.000 2.115 187 R HA -0.071 4.269 4.340 -0.001 0.000 0.230 187 R C 1.677 177.947 176.300 -0.050 0.000 1.111 187 R CA 1.276 57.269 56.100 -0.179 0.000 0.976 187 R CB -0.565 29.392 30.300 -0.573 0.000 0.870 187 R HN 0.610 nan 8.270 nan 0.000 0.445 188 E N 1.054 121.230 120.200 -0.041 0.000 2.106 188 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 188 E C 1.737 178.348 176.600 0.018 0.000 0.984 188 E CA 1.017 57.394 56.400 -0.038 0.000 0.806 188 E CB 0.043 29.692 29.700 -0.084 0.000 0.750 188 E HN 0.299 nan 8.360 nan 0.000 0.458 189 E N 1.025 121.261 120.200 0.061 0.000 2.107 189 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 189 E C 1.858 178.535 176.600 0.129 0.000 0.982 189 E CA 1.147 57.621 56.400 0.122 0.000 0.809 189 E CB -0.129 29.702 29.700 0.218 0.000 0.756 189 E HN 0.229 nan 8.360 nan 0.000 0.459 190 A N 0.654 123.588 122.820 0.190 0.000 1.933 190 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 190 A C 1.929 179.661 177.584 0.248 0.000 1.175 190 A CA 1.622 53.815 52.037 0.260 0.000 0.628 190 A CB -0.652 18.626 19.000 0.463 0.000 0.814 190 A HN 0.224 nan 8.150 nan 0.000 0.444 191 N N -0.036 118.762 118.700 0.162 0.000 2.104 191 N HA -0.135 4.604 4.740 -0.001 0.000 0.190 191 N C 1.817 177.397 175.510 0.117 0.000 1.024 191 N CA 1.413 54.527 53.050 0.108 0.000 0.853 191 N CB -0.408 38.095 38.487 0.026 0.000 1.008 191 N HN 0.542 nan 8.380 nan 0.000 0.424 192 R N 0.095 120.651 120.500 0.093 0.000 2.073 192 R HA -0.063 4.276 4.340 -0.001 0.000 0.234 192 R C 2.066 178.449 176.300 0.138 0.000 1.134 192 R CA 0.763 56.923 56.100 0.099 0.000 0.952 192 R CB -0.567 29.773 30.300 0.066 0.000 0.850 192 R HN 0.145 nan 8.270 nan 0.000 0.433 193 L N 0.815 122.102 121.223 0.107 0.000 2.012 193 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 193 L C 2.063 179.055 176.870 0.203 0.000 1.073 193 L CA 1.654 56.538 54.840 0.072 0.000 0.748 193 L CB -0.336 41.658 42.059 -0.108 0.000 0.891 193 L HN -0.075 nan 8.230 nan 0.000 0.431 194 V N -0.455 119.612 119.914 0.255 0.000 2.427 194 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 194 V C 2.601 178.837 176.094 0.236 0.000 1.051 194 V CA 1.942 64.430 62.300 0.313 0.000 1.048 194 V CB -1.065 30.922 31.823 0.275 0.000 0.666 194 V HN 0.666 nan 8.190 nan 0.000 0.456 195 H N -0.071 119.058 119.070 0.099 0.000 2.353 195 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 195 H C 2.335 177.673 175.328 0.016 0.000 1.090 195 H CA 1.631 57.706 56.048 0.046 0.000 1.327 195 H CB 0.340 30.117 29.762 0.024 0.000 1.383 195 H HN 0.396 nan 8.280 nan 0.000 0.508 196 Q N 0.019 119.830 119.800 0.017 0.000 2.137 196 Q HA -0.013 4.326 4.340 -0.001 0.000 0.198 196 Q C 0.170 175.961 176.000 -0.347 0.000 0.960 196 Q CA 0.954 56.651 55.803 -0.177 0.000 0.847 196 Q CB 0.235 28.905 28.738 -0.112 0.000 0.915 196 Q HN 0.603 nan 8.270 nan 0.000 0.448 197 H N 0.615 119.800 119.070 0.192 0.000 2.991 197 H HA 0.183 4.738 4.556 -0.001 0.000 0.304 197 H C 0.980 176.470 175.328 0.270 0.000 1.040 197 H CA -0.203 56.001 56.048 0.261 0.000 1.410 197 H CB 1.019 31.064 29.762 0.472 0.000 1.529 197 H HN 0.164 nan 8.280 nan 0.000 0.509 198 R N 1.830 122.456 120.500 0.211 0.000 2.193 198 R HA -0.109 4.231 4.340 -0.001 0.000 0.229 198 R C -0.067 176.351 176.300 0.196 0.000 1.110 198 R CA 1.048 57.237 56.100 0.149 0.000 0.988 198 R CB -0.014 30.297 30.300 0.018 0.000 0.871 198 R HN 0.311 nan 8.270 nan 0.000 0.458 199 D N 0.815 121.310 120.400 0.158 0.000 2.228 199 D HA -0.155 4.484 4.640 -0.001 0.000 0.203 199 D C 1.390 177.753 176.300 0.106 0.000 0.988 199 D CA 1.089 55.142 54.000 0.088 0.000 0.864 199 D CB -0.320 40.407 40.800 -0.121 0.000 0.928 199 D HN 0.289 nan 8.370 nan 0.000 0.469 200 F N 0.971 121.067 119.950 0.244 0.000 2.748 200 F HA -0.057 4.469 4.527 -0.001 0.000 0.299 200 F C 1.233 177.224 175.800 0.319 0.000 1.154 200 F CA 0.017 58.153 58.000 0.225 0.000 1.446 200 F CB -0.678 38.450 39.000 0.214 0.000 1.112 200 F HN 0.053 nan 8.300 nan 0.000 0.584 201 H N 0.594 119.842 119.070 0.297 0.000 3.167 201 H HA -0.154 4.401 4.556 -0.001 0.000 0.306 201 H C 0.167 175.613 175.328 0.196 0.000 0.965 201 H CA 0.147 56.284 56.048 0.147 0.000 1.408 201 H CB -0.089 29.699 29.762 0.043 0.000 1.406 201 H HN 0.386 nan 8.280 nan 0.000 0.576 202 F N 0.622 120.578 119.950 0.010 0.000 2.729 202 F HA 0.495 5.021 4.527 -0.001 0.000 0.315 202 F C -0.598 175.241 175.800 0.065 0.000 1.102 202 F CA -0.863 57.147 58.000 0.016 0.000 1.204 202 F CB 0.616 39.700 39.000 0.139 0.000 1.052 202 F HN 0.245 nan 8.300 nan 0.000 0.551 203 E N 2.407 122.502 120.200 -0.174 0.000 2.246 203 E HA 0.406 4.755 4.350 -0.001 0.000 0.266 203 E C -2.570 174.030 176.600 -0.001 0.000 0.880 203 E CA -1.761 54.613 56.400 -0.043 0.000 0.762 203 E CB 1.796 31.447 29.700 -0.082 0.000 1.180 203 E HN 0.058 nan 8.360 nan 0.000 0.416 204 P HA 0.113 nan 4.420 nan 0.000 0.274 204 P C -0.716 176.592 177.300 0.013 0.000 1.231 204 P CA -0.387 62.733 63.100 0.033 0.000 0.790 204 P CB 0.248 31.961 31.700 0.021 0.000 0.951 205 Y N 2.051 122.245 120.300 -0.176 0.000 2.402 205 Y HA 0.111 4.660 4.550 -0.001 0.000 0.333 205 Y C 1.128 176.897 175.900 -0.218 0.000 1.076 205 Y CA 0.115 58.028 58.100 -0.312 0.000 1.299 205 Y CB 0.764 38.681 38.460 -0.904 0.000 1.197 205 Y HN 0.219 nan 8.280 nan 0.000 0.517 206 K N 4.333 124.322 120.400 -0.685 0.000 2.374 206 K HA 0.183 4.502 4.320 -0.001 0.000 0.196 206 K C 0.935 177.124 176.600 -0.684 0.000 1.023 206 K CA 0.599 56.570 56.287 -0.526 0.000 1.103 206 K CB 0.055 32.395 32.500 -0.267 0.000 0.848 206 K HN 1.106 nan 8.250 nan 0.000 0.528 207 G N 2.254 110.191 108.800 -1.438 0.000 2.160 207 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.244 207 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.244 207 G C -0.221 174.494 174.900 -0.308 0.000 1.022 207 G CA 0.010 44.616 45.100 -0.824 0.000 0.741 207 G HN 0.215 nan 8.290 nan 0.000 0.508 208 Q N 0.249 119.884 119.800 -0.275 0.000 2.278 208 Q HA 0.597 4.936 4.340 -0.001 0.000 0.257 208 Q C 0.699 176.743 176.000 0.073 0.000 0.928 208 Q CA 0.293 56.064 55.803 -0.054 0.000 0.932 208 Q CB 1.617 30.331 28.738 -0.039 0.000 1.221 208 Q HN 0.833 nan 8.270 nan 0.000 0.434 209 S N -0.957 114.784 115.700 0.069 0.000 3.073 209 S HA 0.113 4.583 4.470 -0.001 0.000 0.252 209 S C 0.464 175.073 174.600 0.015 0.000 0.953 209 S CA -0.391 57.861 58.200 0.087 0.000 1.105 209 S CB 0.156 63.434 63.200 0.129 0.000 1.070 209 S HN 0.496 nan 8.310 nan 0.000 0.574 210 S N 1.341 117.041 115.700 0.001 0.000 2.606 210 S HA 0.621 5.091 4.470 -0.001 0.000 0.257 210 S C 1.562 176.157 174.600 -0.009 0.000 1.327 210 S CA -0.068 58.102 58.200 -0.049 0.000 0.984 210 S CB 0.544 63.726 63.200 -0.030 0.000 0.941 210 S HN 0.898 nan 8.310 nan 0.000 0.576 211 A N 0.285 123.083 122.820 -0.037 0.000 2.125 211 A HA 0.047 4.367 4.320 -0.001 0.000 0.219 211 A C 0.789 178.427 177.584 0.089 0.000 1.156 211 A CA 0.637 52.680 52.037 0.011 0.000 0.671 211 A CB -1.041 17.959 19.000 0.001 0.000 0.794 211 A HN 0.860 nan 8.150 nan 0.000 0.459 212 Y N 0.177 120.445 120.300 -0.052 0.000 2.805 212 Y HA 0.041 4.590 4.550 -0.001 0.000 0.331 212 Y C 1.134 177.013 175.900 -0.035 0.000 1.241 212 Y CA -0.644 57.423 58.100 -0.056 0.000 1.546 212 Y CB 0.169 38.589 38.460 -0.067 0.000 1.248 212 Y HN 0.220 nan 8.280 nan 0.000 0.559 213 I N 5.735 126.215 120.570 -0.150 0.000 2.264 213 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 213 I C 1.759 177.705 176.117 -0.286 0.000 1.111 213 I CA 1.434 62.634 61.300 -0.167 0.000 1.382 213 I CB -0.395 37.578 38.000 -0.045 0.000 1.060 213 I HN 0.621 nan 8.210 nan 0.000 0.418 214 V N 0.706 120.071 119.914 -0.915 0.000 2.295 214 V HA -0.306 3.814 4.120 -0.001 0.000 0.246 214 V C 2.193 178.085 176.094 -0.336 0.000 1.049 214 V CA 2.267 64.070 62.300 -0.827 0.000 1.024 214 V CB -0.948 30.166 31.823 -1.181 0.000 0.648 214 V HN 0.376 nan 8.190 nan 0.000 0.447 215 D N -0.204 120.022 120.400 -0.291 0.000 2.117 215 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 215 D C 2.308 178.629 176.300 0.035 0.000 0.987 215 D CA 1.831 55.821 54.000 -0.017 0.000 0.829 215 D CB -0.509 40.338 40.800 0.078 0.000 0.961 215 D HN 0.365 nan 8.370 nan 0.000 0.460 216 T N 0.582 115.133 114.554 -0.005 0.000 2.708 216 T HA -0.122 4.227 4.350 -0.001 0.000 0.266 216 T C 1.869 176.579 174.700 0.018 0.000 1.037 216 T CA 0.933 63.040 62.100 0.012 0.000 1.146 216 T CB -0.058 68.802 68.868 -0.014 0.000 0.865 216 T HN 0.060 nan 8.240 nan 0.000 0.435 217 M N 1.177 120.805 119.600 0.047 0.000 2.132 217 M HA -0.022 4.457 4.480 -0.001 0.000 0.263 217 M C 2.338 178.661 176.300 0.039 0.000 1.065 217 M CA 1.448 56.783 55.300 0.058 0.000 1.122 217 M CB -1.229 31.502 32.600 0.218 0.000 1.365 217 M HN 0.340 nan 8.290 nan 0.000 0.411 218 Q N -0.812 119.069 119.800 0.135 0.000 2.096 218 Q HA -0.146 4.193 4.340 -0.001 0.000 0.204 218 Q C 2.005 178.056 176.000 0.086 0.000 0.982 218 Q CA 2.095 58.012 55.803 0.191 0.000 0.850 218 Q CB -0.377 28.519 28.738 0.264 0.000 0.901 218 Q HN 0.501 nan 8.270 nan 0.000 0.422 219 T N 0.487 115.115 114.554 0.123 0.000 2.674 219 T HA -0.123 4.227 4.350 -0.001 0.000 0.265 219 T C 2.052 176.731 174.700 -0.034 0.000 1.039 219 T CA 1.373 63.487 62.100 0.024 0.000 1.150 219 T CB -0.339 68.661 68.868 0.220 0.000 0.864 219 T HN 0.039 nan 8.240 nan 0.000 0.427 220 V N 1.590 121.480 119.914 -0.041 0.000 2.287 220 V HA -0.130 3.989 4.120 -0.001 0.000 0.248 220 V C 2.530 178.496 176.094 -0.214 0.000 1.053 220 V CA 1.572 63.811 62.300 -0.101 0.000 1.027 220 V CB -0.687 31.049 31.823 -0.145 0.000 0.646 220 V HN 0.425 nan 8.190 nan 0.000 0.447 221 L N -0.693 120.326 121.223 -0.341 0.000 2.056 221 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 221 L C 2.586 179.169 176.870 -0.478 0.000 1.078 221 L CA 2.029 56.515 54.840 -0.590 0.000 0.749 221 L CB -0.889 40.637 42.059 -0.889 0.000 0.901 221 L HN 0.489 nan 8.230 nan 0.000 0.433 222 H N -0.274 118.516 119.070 -0.467 0.000 2.267 222 H HA -0.253 4.302 4.556 -0.001 0.000 0.297 222 H C 2.091 177.215 175.328 -0.339 0.000 1.080 222 H CA 2.238 58.081 56.048 -0.341 0.000 1.278 222 H CB -0.317 28.982 29.762 -0.772 0.000 1.365 222 H HN 0.203 nan 8.280 nan 0.000 0.489 223 Y N -1.145 118.934 120.300 -0.369 0.000 2.314 223 Y HA -0.131 4.419 4.550 -0.001 0.000 0.293 223 Y C 2.402 178.170 175.900 -0.220 0.000 1.129 223 Y CA 1.171 59.073 58.100 -0.330 0.000 1.201 223 Y CB -0.822 37.532 38.460 -0.176 0.000 0.999 223 Y HN 0.353 nan 8.280 nan 0.000 0.541 224 Y N -0.578 119.580 120.300 -0.238 0.000 2.181 224 Y HA -0.257 4.292 4.550 -0.001 0.000 0.288 224 Y C 1.642 177.385 175.900 -0.260 0.000 1.146 224 Y CA 1.366 59.271 58.100 -0.326 0.000 1.164 224 Y CB -0.779 37.337 38.460 -0.573 0.000 0.982 224 Y HN 0.035 nan 8.280 nan 0.000 0.515 225 F N -0.764 119.021 119.950 -0.275 0.000 2.512 225 F HA 0.002 4.529 4.527 -0.001 0.000 0.296 225 F C 2.246 177.917 175.800 -0.214 0.000 1.110 225 F CA 1.074 58.898 58.000 -0.294 0.000 1.446 225 F CB -0.768 38.171 39.000 -0.101 0.000 1.092 225 F HN 0.056 nan 8.300 nan 0.000 0.554 226 V N -3.021 116.845 119.914 -0.080 0.000 3.647 226 V HA 0.228 4.348 4.120 -0.001 0.000 0.279 226 V C 0.643 176.710 176.094 -0.045 0.000 1.314 226 V CA 0.556 62.802 62.300 -0.089 0.000 1.125 226 V CB -1.241 30.454 31.823 -0.213 0.000 0.907 226 V HN 0.228 nan 8.190 nan 0.000 0.434 227 T N -1.158 113.374 114.554 -0.037 0.000 2.949 227 T HA 0.611 4.961 4.350 -0.001 0.000 0.287 227 T C 0.081 174.795 174.700 0.022 0.000 1.034 227 T CA 0.240 62.340 62.100 -0.000 0.000 1.018 227 T CB 1.935 70.815 68.868 0.021 0.000 1.135 227 T HN 0.417 nan 8.240 nan 0.000 0.532 228 D N -1.156 119.233 120.400 -0.017 0.000 2.527 228 D HA 0.186 4.825 4.640 -0.001 0.000 0.224 228 D C 0.324 176.361 176.300 -0.437 0.000 1.217 228 D CA -0.148 53.815 54.000 -0.061 0.000 0.819 228 D CB -0.010 40.764 40.800 -0.042 0.000 1.061 228 D HN 0.821 nan 8.370 nan 0.000 0.515 229 T N -4.253 110.026 114.554 -0.460 0.000 2.894 229 T HA 0.343 4.693 4.350 -0.001 0.000 0.309 229 T C 0.258 174.824 174.700 -0.223 0.000 1.208 229 T CA -0.868 60.846 62.100 -0.643 0.000 1.016 229 T CB 0.988 69.690 68.868 -0.276 0.000 1.192 229 T HN -0.167 nan 8.240 nan 0.000 0.491 230 F N 1.853 121.706 119.950 -0.160 0.000 2.095 230 F HA -0.006 4.520 4.527 -0.001 0.000 0.298 230 F C 2.473 178.371 175.800 0.164 0.000 1.104 230 F CA 2.049 60.153 58.000 0.175 0.000 1.232 230 F CB -0.046 39.081 39.000 0.212 0.000 0.987 230 F HN 0.745 nan 8.300 nan 0.000 0.475 231 K N 0.220 120.811 120.400 0.319 0.000 2.009 231 K HA -0.220 4.099 4.320 -0.001 0.000 0.210 231 K C 2.340 179.021 176.600 0.135 0.000 1.049 231 K CA 2.087 58.531 56.287 0.262 0.000 0.929 231 K CB -0.430 32.084 32.500 0.023 0.000 0.714 231 K HN 0.470 nan 8.250 nan 0.000 0.440 232 S N 0.345 116.064 115.700 0.032 0.000 2.368 232 S HA -0.187 4.282 4.470 -0.001 0.000 0.224 232 S C 2.437 177.022 174.600 -0.024 0.000 1.029 232 S CA 1.123 59.325 58.200 0.004 0.000 0.988 232 S CB -1.030 62.161 63.200 -0.013 0.000 0.838 232 S HN 0.557 nan 8.310 nan 0.000 0.462 233 C N 1.158 120.439 119.300 -0.032 0.000 2.413 233 C HA -0.013 4.447 4.460 -0.001 0.000 0.277 233 C C 2.555 177.450 174.990 -0.160 0.000 1.228 233 C CA 1.224 60.211 59.018 -0.052 0.000 1.731 233 C CB -1.572 26.168 27.740 -0.001 0.000 2.042 233 C HN 0.633 nan 8.230 nan 0.000 0.468 234 L N 0.703 121.784 121.223 -0.236 0.000 2.027 234 L HA 0.063 4.403 4.340 -0.001 0.000 0.206 234 L C 2.258 178.997 176.870 -0.218 0.000 1.074 234 L CA 1.846 56.505 54.840 -0.301 0.000 0.745 234 L CB -0.751 41.052 42.059 -0.426 0.000 0.898 234 L HN 0.396 nan 8.230 nan 0.000 0.433 235 I N -0.899 119.617 120.570 -0.090 0.000 2.179 235 I HA -0.352 3.817 4.170 -0.001 0.000 0.242 235 I C 2.464 178.480 176.117 -0.168 0.000 1.088 235 I CA 1.441 62.697 61.300 -0.074 0.000 1.357 235 I CB -0.314 37.713 38.000 0.045 0.000 1.051 235 I HN 0.391 nan 8.210 nan 0.000 0.409 236 Q N -0.241 119.420 119.800 -0.232 0.000 2.167 236 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 236 Q C 2.194 177.672 176.000 -0.870 0.000 0.970 236 Q CA 1.832 57.373 55.803 -0.437 0.000 0.855 236 Q CB -0.161 28.369 28.738 -0.346 0.000 0.911 236 Q HN 0.509 nan 8.270 nan 0.000 0.438 237 T N 0.798 114.937 114.554 -0.691 0.000 2.701 237 T HA -0.126 4.224 4.350 -0.001 0.000 0.263 237 T C 2.063 176.588 174.700 -0.292 0.000 1.040 237 T CA 1.666 63.436 62.100 -0.549 0.000 1.147 237 T CB -0.314 68.400 68.868 -0.256 0.000 0.865 237 T HN 0.359 nan 8.240 nan 0.000 0.426 238 V N 0.950 120.736 119.914 -0.214 0.000 2.626 238 V HA -0.016 4.103 4.120 -0.001 0.000 0.252 238 V C 1.740 177.794 176.094 -0.067 0.000 1.067 238 V CA 1.504 63.736 62.300 -0.113 0.000 1.081 238 V CB -0.766 31.003 31.823 -0.090 0.000 0.686 238 V HN 0.410 nan 8.190 nan 0.000 0.468 239 N N 0.481 119.126 118.700 -0.092 0.000 2.515 239 N HA -0.112 4.627 4.740 -0.001 0.000 0.185 239 N C 1.738 177.249 175.510 0.002 0.000 1.109 239 N CA 1.079 54.113 53.050 -0.027 0.000 0.903 239 N CB 0.060 38.538 38.487 -0.015 0.000 0.969 239 N HN 0.559 nan 8.380 nan 0.000 0.450 240 Q N 1.083 120.874 119.800 -0.015 0.000 2.297 240 Q HA 0.046 4.385 4.340 -0.001 0.000 0.204 240 Q C 0.908 176.954 176.000 0.076 0.000 0.962 240 Q CA 0.818 56.678 55.803 0.095 0.000 0.879 240 Q CB -0.253 28.618 28.738 0.221 0.000 0.947 240 Q HN 0.375 nan 8.270 nan 0.000 0.462 241 G N -1.711 107.110 108.800 0.035 0.000 2.562 241 G HA2 0.029 3.989 3.960 -0.001 0.000 0.250 241 G HA3 0.029 3.989 3.960 -0.001 0.000 0.250 241 G C 0.737 175.642 174.900 0.008 0.000 1.269 241 G CA 0.225 45.341 45.100 0.026 0.000 0.919 241 G HN 1.258 nan 8.290 nan 0.000 0.574 242 G N -0.372 108.413 108.800 -0.026 0.000 2.531 242 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.274 242 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.274 242 G C 0.323 175.138 174.900 -0.141 0.000 1.159 242 G CA 1.398 46.431 45.100 -0.111 0.000 0.969 242 G HN 2.132 nan 8.290 nan 0.000 0.554 243 D N 1.827 122.151 120.400 -0.126 0.000 2.845 243 D HA 0.622 5.261 4.640 -0.001 0.000 0.235 243 D C 1.622 177.908 176.300 -0.024 0.000 1.158 243 D CA 1.230 55.177 54.000 -0.089 0.000 0.990 243 D CB -0.285 40.464 40.800 -0.084 0.000 1.094 243 D HN 0.829 nan 8.370 nan 0.000 0.486 244 A N 1.836 124.651 122.820 -0.008 0.000 2.067 244 A HA -0.172 4.147 4.320 -0.001 0.000 0.219 244 A C 1.968 179.540 177.584 -0.020 0.000 1.158 244 A CA 1.309 53.339 52.037 -0.013 0.000 0.661 244 A CB -0.259 18.734 19.000 -0.012 0.000 0.801 244 A HN 0.623 nan 8.150 nan 0.000 0.452 245 D N -0.651 119.753 120.400 0.006 0.000 2.144 245 D HA -0.137 4.502 4.640 -0.001 0.000 0.199 245 D C 1.492 177.778 176.300 -0.024 0.000 0.984 245 D CA 1.953 55.951 54.000 -0.003 0.000 0.834 245 D CB -0.791 40.028 40.800 0.031 0.000 0.955 245 D HN 0.323 nan 8.370 nan 0.000 0.465 246 T N 0.220 114.762 114.554 -0.020 0.000 2.939 246 T HA -0.067 4.282 4.350 -0.001 0.000 0.254 246 T C 2.176 176.843 174.700 -0.055 0.000 1.041 246 T CA 1.921 63.998 62.100 -0.037 0.000 1.142 246 T CB -0.313 68.538 68.868 -0.028 0.000 0.874 246 T HN 0.449 nan 8.240 nan 0.000 0.452 247 T N 0.721 115.248 114.554 -0.044 0.000 2.746 247 T HA -0.040 4.309 4.350 -0.001 0.000 0.267 247 T C 2.294 176.945 174.700 -0.082 0.000 1.039 247 T CA 1.420 63.490 62.100 -0.050 0.000 1.142 247 T CB -1.116 67.744 68.868 -0.013 0.000 0.866 247 T HN 0.358 nan 8.240 nan 0.000 0.444 248 G N 1.520 110.267 108.800 -0.088 0.000 2.421 248 G HA2 0.033 3.993 3.960 -0.001 0.000 0.216 248 G HA3 0.033 3.993 3.960 -0.001 0.000 0.216 248 G C 1.965 176.794 174.900 -0.118 0.000 1.171 248 G CA 1.016 46.041 45.100 -0.125 0.000 0.775 248 G HN 0.749 nan 8.290 nan 0.000 0.543 249 A N 0.533 123.302 122.820 -0.085 0.000 1.883 249 A HA 0.043 4.362 4.320 -0.001 0.000 0.217 249 A C 2.470 180.000 177.584 -0.090 0.000 1.186 249 A CA 1.443 53.440 52.037 -0.067 0.000 0.624 249 A CB -0.471 18.495 19.000 -0.056 0.000 0.822 249 A HN 0.356 nan 8.150 nan 0.000 0.444 250 L N -1.066 120.090 121.223 -0.113 0.000 2.056 250 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 250 L C 3.132 179.888 176.870 -0.190 0.000 1.078 250 L CA 0.978 55.728 54.840 -0.150 0.000 0.749 250 L CB -0.610 41.361 42.059 -0.147 0.000 0.901 250 L HN 0.465 nan 8.230 nan 0.000 0.433 251 A N 0.421 123.135 122.820 -0.177 0.000 1.877 251 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 251 A C 2.390 179.851 177.584 -0.205 0.000 1.186 251 A CA 1.789 53.707 52.037 -0.198 0.000 0.620 251 A CB -1.277 17.623 19.000 -0.167 0.000 0.822 251 A HN 0.437 nan 8.150 nan 0.000 0.443 252 G N -0.748 107.942 108.800 -0.184 0.000 2.422 252 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 252 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 252 G C 1.643 176.613 174.900 0.117 0.000 1.146 252 G CA 1.242 46.300 45.100 -0.070 0.000 0.769 252 G HN 0.510 nan 8.290 nan 0.000 0.547 253 M N -0.169 119.422 119.600 -0.015 0.000 2.086 253 M HA 0.015 4.495 4.480 -0.001 0.000 0.261 253 M C 2.474 178.713 176.300 -0.100 0.000 1.067 253 M CA 1.419 56.690 55.300 -0.050 0.000 1.116 253 M CB -0.193 32.330 32.600 -0.130 0.000 1.348 253 M HN 0.226 nan 8.290 nan 0.000 0.407 254 L N 0.028 121.108 121.223 -0.237 0.000 2.027 254 L HA -0.126 4.213 4.340 -0.001 0.000 0.206 254 L C 2.807 179.522 176.870 -0.258 0.000 1.074 254 L CA 1.192 55.765 54.840 -0.445 0.000 0.745 254 L CB -0.967 40.514 42.059 -0.963 0.000 0.898 254 L HN 0.408 nan 8.230 nan 0.000 0.433 255 A N 0.303 123.091 122.820 -0.053 0.000 1.933 255 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 255 A C 2.376 180.175 177.584 0.359 0.000 1.175 255 A CA 1.768 53.943 52.037 0.229 0.000 0.628 255 A CB -1.270 17.891 19.000 0.267 0.000 0.814 255 A HN 0.461 nan 8.150 nan 0.000 0.444 256 G N -0.596 108.442 108.800 0.397 0.000 2.418 256 G HA2 0.012 3.971 3.960 -0.001 0.000 0.217 256 G HA3 0.012 3.971 3.960 -0.001 0.000 0.217 256 G C 1.666 176.631 174.900 0.109 0.000 1.158 256 G CA 1.327 46.600 45.100 0.288 0.000 0.771 256 G HN 0.829 nan 8.290 nan 0.000 0.545 257 A N -0.143 122.696 122.820 0.031 0.000 2.066 257 A HA 0.141 4.460 4.320 -0.001 0.000 0.218 257 A C 2.456 180.018 177.584 -0.036 0.000 1.157 257 A CA 2.155 54.182 52.037 -0.016 0.000 0.670 257 A CB -0.386 18.583 19.000 -0.052 0.000 0.804 257 A HN 0.297 nan 8.150 nan 0.000 0.453 258 T N -1.488 113.007 114.554 -0.099 0.000 2.814 258 T HA -0.003 4.346 4.350 -0.001 0.000 0.254 258 T C 1.432 175.992 174.700 -0.234 0.000 1.037 258 T CA 1.497 63.448 62.100 -0.247 0.000 1.143 258 T CB -0.328 68.240 68.868 -0.500 0.000 0.866 258 T HN 0.562 nan 8.240 nan 0.000 0.431 259 Y N 1.105 121.488 120.300 0.139 0.000 2.497 259 Y HA 0.480 5.029 4.550 -0.001 0.000 0.265 259 Y C 1.525 177.466 175.900 0.067 0.000 1.111 259 Y CA -0.276 57.889 58.100 0.107 0.000 1.288 259 Y CB -0.170 38.373 38.460 0.139 0.000 1.082 259 Y HN 0.381 nan 8.280 nan 0.000 0.536 260 G N -0.073 108.825 108.800 0.165 0.000 2.690 260 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.686 260 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.686 260 G C 0.429 175.350 174.900 0.035 0.000 1.277 260 G CA -0.398 44.752 45.100 0.084 0.000 0.799 260 G HN 0.152 nan 8.290 nan 0.000 0.613 261 V N 0.055 119.966 119.914 -0.005 0.000 2.469 261 V HA -0.095 4.024 4.120 -0.001 0.000 0.251 261 V C 2.179 178.224 176.094 -0.082 0.000 1.064 261 V CA 3.057 65.320 62.300 -0.061 0.000 1.066 261 V CB -0.335 31.470 31.823 -0.030 0.000 0.667 261 V HN 0.715 nan 8.190 nan 0.000 0.461 262 D N -0.632 119.748 120.400 -0.034 0.000 2.349 262 D HA -0.035 4.604 4.640 -0.001 0.000 0.224 262 D C 1.483 177.754 176.300 -0.049 0.000 1.029 262 D CA 0.717 54.694 54.000 -0.039 0.000 0.879 262 D CB 0.018 40.811 40.800 -0.013 0.000 0.906 262 D HN 0.533 nan 8.370 nan 0.000 0.528 263 D N -0.489 119.887 120.400 -0.040 0.000 2.348 263 D HA 0.065 4.705 4.640 -0.001 0.000 0.211 263 D C 0.330 176.559 176.300 -0.120 0.000 0.998 263 D CA 0.047 54.032 54.000 -0.025 0.000 0.873 263 D CB 0.347 41.212 40.800 0.109 0.000 0.925 263 D HN 0.158 nan 8.370 nan 0.000 0.524 264 I N 2.106 122.484 120.570 -0.319 0.000 2.452 264 I HA 0.135 4.304 4.170 -0.001 0.000 0.287 264 I C -1.950 174.041 176.117 -0.210 0.000 1.079 264 I CA -1.826 59.177 61.300 -0.495 0.000 1.387 264 I CB 0.794 38.406 38.000 -0.647 0.000 1.404 264 I HN -0.158 nan 8.210 nan 0.000 0.522 265 P HA -0.005 nan 4.420 nan 0.000 0.260 265 P C 0.529 177.722 177.300 -0.178 0.000 1.185 265 P CA 0.370 63.281 63.100 -0.315 0.000 0.763 265 P CB 0.586 31.798 31.700 -0.813 0.000 0.776 266 S N 3.089 118.705 115.700 -0.140 0.000 2.387 266 S HA -0.168 4.301 4.470 -0.001 0.000 0.230 266 S C 2.204 176.783 174.600 -0.034 0.000 1.035 266 S CA 1.805 59.962 58.200 -0.071 0.000 1.014 266 S CB -0.910 62.250 63.200 -0.066 0.000 0.836 266 S HN 0.735 nan 8.310 nan 0.000 0.466 267 G N 0.716 109.469 108.800 -0.077 0.000 2.476 267 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 267 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 267 G C 1.060 176.046 174.900 0.143 0.000 1.164 267 G CA 0.962 46.054 45.100 -0.012 0.000 0.768 267 G HN 0.455 nan 8.290 nan 0.000 0.560 268 W N 0.628 121.924 121.300 -0.006 0.000 2.354 268 W HA 0.119 4.778 4.660 -0.002 0.000 0.315 268 W C 2.610 179.128 176.519 -0.003 0.000 1.206 268 W CA 0.173 57.521 57.345 0.004 0.000 1.290 268 W CB -1.347 28.132 29.460 0.033 0.000 1.152 268 W HN 0.111 nan 8.180 nan 0.000 0.489 269 L N 0.824 122.177 121.223 0.216 0.000 2.043 269 L HA -0.284 4.055 4.340 -0.001 0.000 0.212 269 L C 2.682 179.594 176.870 0.070 0.000 1.075 269 L CA 2.199 57.099 54.840 0.100 0.000 0.752 269 L CB -1.067 41.014 42.059 0.038 0.000 0.891 269 L HN 0.072 nan 8.230 nan 0.000 0.432 270 S N -0.891 114.850 115.700 0.068 0.000 2.419 270 S HA -0.163 4.307 4.470 -0.001 0.000 0.233 270 S C 1.840 176.471 174.600 0.052 0.000 1.016 270 S CA 0.724 58.952 58.200 0.046 0.000 0.974 270 S CB -0.180 63.042 63.200 0.037 0.000 0.786 270 S HN 0.336 nan 8.310 nan 0.000 0.492 271 K N 0.811 121.257 120.400 0.076 0.000 2.366 271 K HA 0.260 4.580 4.320 -0.001 0.000 0.198 271 K C 0.607 177.232 176.600 0.043 0.000 1.044 271 K CA -0.035 56.290 56.287 0.064 0.000 0.973 271 K CB -0.428 32.123 32.500 0.085 0.000 0.767 271 K HN 0.470 nan 8.250 nan 0.000 0.475 272 L N 2.334 123.582 121.223 0.041 0.000 2.485 272 L HA -0.046 4.293 4.340 -0.001 0.000 0.275 272 L C 0.515 177.393 176.870 0.014 0.000 1.207 272 L CA -0.253 54.601 54.840 0.023 0.000 0.855 272 L CB -0.042 42.028 42.059 0.018 0.000 1.114 272 L HN 0.102 nan 8.230 nan 0.000 0.485 273 D N 2.336 122.741 120.400 0.009 0.000 2.533 273 D HA -0.114 4.525 4.640 -0.001 0.000 0.236 273 D C 1.045 177.344 176.300 -0.001 0.000 1.137 273 D CA 0.301 54.304 54.000 0.005 0.000 0.867 273 D CB 0.786 41.589 40.800 0.006 0.000 1.170 273 D HN 0.458 nan 8.370 nan 0.000 0.474 274 M N 3.585 123.184 119.600 -0.000 0.000 2.149 274 M HA -0.211 4.268 4.480 -0.001 0.000 0.261 274 M C 1.366 177.659 176.300 -0.013 0.000 1.064 274 M CA 1.654 56.951 55.300 -0.005 0.000 1.102 274 M CB 0.028 32.627 32.600 -0.002 0.000 1.369 274 M HN 0.426 nan 8.290 nan 0.000 0.408 275 K N -0.787 119.607 120.400 -0.010 0.000 2.103 275 K HA -0.081 4.238 4.320 -0.001 0.000 0.204 275 K C 1.799 178.383 176.600 -0.027 0.000 1.052 275 K CA 1.246 57.525 56.287 -0.013 0.000 0.945 275 K CB -0.202 32.296 32.500 -0.003 0.000 0.722 275 K HN 0.231 nan 8.250 nan 0.000 0.443 276 V N 1.916 121.814 119.914 -0.026 0.000 2.295 276 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 276 V C 2.392 178.438 176.094 -0.081 0.000 1.049 276 V CA 1.909 64.183 62.300 -0.045 0.000 1.024 276 V CB -0.414 31.394 31.823 -0.025 0.000 0.648 276 V HN 0.401 nan 8.190 nan 0.000 0.447 277 E N 0.357 120.521 120.200 -0.060 0.000 2.077 277 E HA -0.289 4.060 4.350 -0.001 0.000 0.193 277 E C 2.457 179.007 176.600 -0.083 0.000 0.989 277 E CA 1.579 57.937 56.400 -0.070 0.000 0.800 277 E CB -0.142 29.537 29.700 -0.036 0.000 0.746 277 E HN 0.475 nan 8.360 nan 0.000 0.452 278 R N 0.595 121.060 120.500 -0.059 0.000 2.096 278 R HA -0.244 4.095 4.340 -0.001 0.000 0.240 278 R C 2.353 178.607 176.300 -0.076 0.000 1.139 278 R CA 2.131 58.200 56.100 -0.052 0.000 0.952 278 R CB -0.247 30.034 30.300 -0.033 0.000 0.854 278 R HN 0.140 nan 8.270 nan 0.000 0.436 279 E N 0.446 120.591 120.200 -0.092 0.000 2.072 279 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 279 E C 1.912 178.385 176.600 -0.213 0.000 0.985 279 E CA 1.545 57.877 56.400 -0.114 0.000 0.801 279 E CB -0.217 29.429 29.700 -0.090 0.000 0.750 279 E HN 0.491 nan 8.360 nan 0.000 0.452 280 I N 0.384 120.764 120.570 -0.318 0.000 2.163 280 I HA -0.299 3.870 4.170 -0.001 0.000 0.243 280 I C 2.655 178.553 176.117 -0.364 0.000 1.085 280 I CA 1.467 62.415 61.300 -0.587 0.000 1.347 280 I CB -0.276 37.358 38.000 -0.610 0.000 1.044 280 I HN 0.115 nan 8.210 nan 0.000 0.408 281 R N 0.307 120.694 120.500 -0.188 0.000 2.081 281 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 281 R C 2.466 178.745 176.300 -0.036 0.000 1.131 281 R CA 1.328 57.381 56.100 -0.079 0.000 0.960 281 R CB -0.315 29.968 30.300 -0.029 0.000 0.856 281 R HN 0.335 nan 8.270 nan 0.000 0.436 282 R N 0.430 120.900 120.500 -0.050 0.000 2.081 282 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 282 R C 2.384 178.676 176.300 -0.013 0.000 1.131 282 R CA 1.350 57.438 56.100 -0.020 0.000 0.960 282 R CB -0.120 30.165 30.300 -0.024 0.000 0.856 282 R HN 0.336 nan 8.270 nan 0.000 0.436 283 Q N -0.020 119.748 119.800 -0.052 0.000 2.119 283 Q HA -0.118 4.222 4.340 -0.001 0.000 0.201 283 Q C 2.206 178.242 176.000 0.060 0.000 0.972 283 Q CA 1.316 57.118 55.803 -0.000 0.000 0.847 283 Q CB 0.061 28.784 28.738 -0.025 0.000 0.903 283 Q HN 0.178 nan 8.270 nan 0.000 0.433 284 V N 1.590 121.519 119.914 0.025 0.000 2.287 284 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 284 V C 1.548 177.679 176.094 0.062 0.000 1.053 284 V CA 2.141 64.474 62.300 0.055 0.000 1.027 284 V CB -0.484 31.313 31.823 -0.044 0.000 0.646 284 V HN 0.340 nan 8.190 nan 0.000 0.447 285 D N 0.231 120.685 120.400 0.090 0.000 2.117 285 D HA -0.126 4.513 4.640 -0.001 0.000 0.197 285 D C 2.179 178.527 176.300 0.079 0.000 0.987 285 D CA 1.693 55.765 54.000 0.119 0.000 0.829 285 D CB -0.406 40.459 40.800 0.109 0.000 0.961 285 D HN 0.452 nan 8.370 nan 0.000 0.460 286 A N 0.240 123.097 122.820 0.063 0.000 1.930 286 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 286 A C 2.037 179.662 177.584 0.069 0.000 1.175 286 A CA 0.813 52.884 52.037 0.057 0.000 0.627 286 A CB -0.472 18.556 19.000 0.047 0.000 0.815 286 A HN 0.125 nan 8.150 nan 0.000 0.443 287 L N -0.306 120.968 121.223 0.084 0.000 2.056 287 L HA -0.045 4.295 4.340 -0.001 0.000 0.207 287 L C 2.411 179.321 176.870 0.067 0.000 1.078 287 L CA 1.331 56.226 54.840 0.092 0.000 0.749 287 L CB -0.964 41.164 42.059 0.115 0.000 0.901 287 L HN 0.359 nan 8.230 nan 0.000 0.433 288 L N -1.316 119.943 121.223 0.060 0.000 2.141 288 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 288 L C 2.576 179.471 176.870 0.042 0.000 1.094 288 L CA 0.917 55.785 54.840 0.046 0.000 0.763 288 L CB -0.695 41.403 42.059 0.065 0.000 0.908 288 L HN 0.245 nan 8.230 nan 0.000 0.437 289 A N 0.213 123.063 122.820 0.050 0.000 1.873 289 A HA -0.209 4.110 4.320 -0.001 0.000 0.215 289 A C 2.184 179.791 177.584 0.038 0.000 1.186 289 A CA 1.384 53.445 52.037 0.040 0.000 0.616 289 A CB -0.674 18.350 19.000 0.039 0.000 0.823 289 A HN 0.299 nan 8.150 nan 0.000 0.442 290 L N 0.099 121.353 121.223 0.051 0.000 2.081 290 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 290 L C 2.566 179.460 176.870 0.040 0.000 1.080 290 L CA 2.271 57.149 54.840 0.063 0.000 0.754 290 L CB -0.836 41.285 42.059 0.105 0.000 0.893 290 L HN 0.354 nan 8.230 nan 0.000 0.433 291 A N -1.030 121.804 122.820 0.023 0.000 2.019 291 A HA 0.191 4.511 4.320 -0.001 0.000 0.219 291 A C 1.924 179.500 177.584 -0.013 0.000 1.164 291 A CA 1.368 53.397 52.037 -0.014 0.000 0.644 291 A CB -0.958 18.023 19.000 -0.031 0.000 0.805 291 A HN 1.052 nan 8.150 nan 0.000 0.449 292 G N -2.659 106.143 108.800 0.002 0.000 2.148 292 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.203 292 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.203 292 G C 0.055 174.956 174.900 0.001 0.000 0.993 292 G CA 0.264 45.366 45.100 0.003 0.000 0.661 292 G HN 0.433 nan 8.290 nan 0.000 0.518 293 L N 0.000 121.225 121.223 0.003 0.000 2.949 293 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 293 L CA 0.000 54.843 54.840 0.004 0.000 0.813 293 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 293 L HN 0.000 nan 8.230 nan 0.000 0.502