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 2chn_1_A DATA FIRST_RESID 4 DATA SEQUENCE SLQPPPQQLI VQNKTIDLPA VYQLNGGEEA NPHAVKVLKE LLXXXXXXXX DATA SEQUENCE GXLISIGEKG DKSVRKYSRQ IPDHKEGYYL SVNEKEIVLA GNDERGTYYA DATA SEQUENCE LQTFAQLLKD GKLPEVEIKD YPSVRYRGVV EGFYGTPWSH QARLSQLKFY DATA SEQUENCE GKNKXNTYIY GPKDDPYHSA PNWRLPYPDK EAAQLQELVA VANENEVDFV DATA SEQUENCE WAIHPGQDIK WNKEDRDLLL AKFEKXYQLG VRSFAVFFDD ISGEGTNPQK DATA SEQUENCE QAELLNYIDE KFAQVKPDIN QLVXCPTEYN KSWSNPNGNY LTTLGDKLNP DATA SEQUENCE SIQIXWTGDR VISDITRDGI SWINERIKRP AYIWWNFPVS DYVRDHLLLG DATA SEQUENCE PVYGNDTTIA KEXSGFVTNP XEHAESSKIA IYSVASYAWN PAKYDTWQTW DATA SEQUENCE KDAIRTILPS AAEELECFAX HNSDLGPNGH GYRREESXDI QPAAERFLKA DATA SEQUENCE FKEGKNYDKA DFETLQYTFE RXKESADILL XNTENKPLIV EITPWVHQFK DATA SEQUENCE LTAEXGEEVL KXVEGRNESY FLRKYNHVKA LQQQXFYIDQ TSNQNPYQPG DATA SEQUENCE VKTATRVIKP LIDRTFATVV KFFNQKFNAH LDATTDYXPH KXXXXXXXXX DATA SEQUENCE NLPLQVKANR VLISPXXXXX XXXXXXXVEI ELDAIYPGEN IQINFXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXRLSAG LQKAPVKFVR FXXXXXXXXX DATA SEQUENCE XXXXQFVLTI EKK 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.604 174.600 0.006 0.000 1.055 4 S CA 0.000 58.210 58.200 0.017 0.000 1.107 4 S CB 0.000 63.228 63.200 0.047 0.000 0.593 5 L N 4.234 125.444 121.223 -0.022 0.000 2.559 5 L HA 0.230 4.856 4.340 0.476 0.000 0.274 5 L C 0.261 177.085 176.870 -0.077 0.000 1.205 5 L CA 0.425 55.230 54.840 -0.058 0.000 0.907 5 L CB 0.295 42.317 42.059 -0.061 0.000 1.153 5 L HN 0.549 nan 8.230 nan 0.000 0.490 6 Q N 4.395 124.111 119.800 -0.140 0.000 2.304 6 Q HA 0.428 5.054 4.340 0.476 0.000 0.270 6 Q C -2.364 173.392 176.000 -0.408 0.000 1.035 6 Q CA -1.982 53.682 55.803 -0.232 0.000 0.781 6 Q CB 2.337 30.930 28.738 -0.242 0.000 1.261 6 Q HN 0.293 nan 8.270 nan 0.000 0.444 7 P HA 0.084 nan 4.420 nan 0.000 0.268 7 P C -2.447 174.719 177.300 -0.224 0.000 1.208 7 P CA -0.885 62.025 63.100 -0.318 0.000 0.777 7 P CB -0.165 31.274 31.700 -0.434 0.000 0.875 8 P HA 0.195 nan 4.420 nan 0.000 0.271 8 P C -2.537 174.773 177.300 0.016 0.000 1.220 8 P CA -1.589 61.495 63.100 -0.027 0.000 0.768 8 P CB -0.632 31.074 31.700 0.011 0.000 0.848 9 P HA 0.066 nan 4.420 nan 0.000 0.269 9 P C 1.222 178.505 177.300 -0.029 0.000 1.215 9 P CA 0.021 63.142 63.100 0.035 0.000 0.780 9 P CB 0.415 32.119 31.700 0.007 0.000 0.898 10 Q N 0.374 120.096 119.800 -0.129 0.000 2.124 10 Q HA -0.138 4.487 4.340 0.476 0.000 0.202 10 Q C 0.544 176.470 176.000 -0.123 0.000 0.977 10 Q CA 1.620 57.275 55.803 -0.247 0.000 0.850 10 Q CB 0.112 28.478 28.738 -0.621 0.000 0.901 10 Q HN 0.589 nan 8.270 nan 0.000 0.429 11 Q N -0.429 119.321 119.800 -0.084 0.000 2.289 11 Q HA 0.511 5.137 4.340 0.476 0.000 0.270 11 Q C -1.938 174.056 176.000 -0.009 0.000 1.038 11 Q CA -0.238 55.550 55.803 -0.026 0.000 0.812 11 Q CB 1.758 30.501 28.738 0.008 0.000 1.300 11 Q HN 0.142 nan 8.270 nan 0.000 0.427 12 L N 5.956 127.180 121.223 0.002 0.000 2.439 12 L HA 0.597 5.223 4.340 0.476 0.000 0.270 12 L C -1.648 175.231 176.870 0.015 0.000 0.972 12 L CA -0.646 54.198 54.840 0.006 0.000 0.836 12 L CB 1.637 43.696 42.059 -0.000 0.000 1.255 12 L HN 0.711 nan 8.230 nan 0.000 0.404 13 I N 5.444 126.027 120.570 0.022 0.000 2.410 13 I HA 0.403 4.859 4.170 0.476 0.000 0.286 13 I C -0.355 175.773 176.117 0.019 0.000 1.009 13 I CA -0.761 60.554 61.300 0.025 0.000 1.111 13 I CB 1.999 40.022 38.000 0.038 0.000 1.262 13 I HN 0.185 nan 8.210 nan 0.000 0.443 14 V N 5.669 125.591 119.914 0.013 0.000 2.532 14 V HA 0.260 4.666 4.120 0.476 0.000 0.295 14 V C 0.378 176.479 176.094 0.012 0.000 1.041 14 V CA -0.438 61.867 62.300 0.009 0.000 0.926 14 V CB 1.747 33.572 31.823 0.003 0.000 0.992 14 V HN 0.690 nan 8.190 nan 0.000 0.457 15 Q N 1.546 121.353 119.800 0.011 0.000 2.282 15 Q HA 0.249 4.875 4.340 0.476 0.000 0.206 15 Q C 0.627 176.633 176.000 0.010 0.000 0.878 15 Q CA 0.113 55.924 55.803 0.014 0.000 0.944 15 Q CB -0.192 28.557 28.738 0.018 0.000 1.100 15 Q HN 0.809 nan 8.270 nan 0.000 0.509 16 N N 0.200 118.903 118.700 0.005 0.000 2.708 16 N HA -0.214 4.812 4.740 0.476 0.000 0.249 16 N C -1.215 174.297 175.510 0.003 0.000 1.097 16 N CA 1.106 54.158 53.050 0.003 0.000 0.710 16 N CB -0.557 37.933 38.487 0.004 0.000 1.032 16 N HN 0.228 nan 8.380 nan 0.000 0.551 17 K N -1.028 119.374 120.400 0.004 0.000 2.395 17 K HA 0.677 5.283 4.320 0.476 0.000 0.247 17 K C 0.102 176.702 176.600 -0.000 0.000 0.973 17 K CA -0.690 55.599 56.287 0.004 0.000 0.828 17 K CB 1.727 34.233 32.500 0.009 0.000 1.272 17 K HN 0.155 nan 8.250 nan 0.000 0.439 18 T N -1.450 113.103 114.554 -0.001 0.000 2.916 18 T HA 0.761 5.396 4.350 0.476 0.000 0.292 18 T C -0.175 174.525 174.700 0.000 0.000 1.055 18 T CA -0.889 61.207 62.100 -0.006 0.000 1.009 18 T CB 0.837 69.697 68.868 -0.013 0.000 1.118 18 T HN 0.627 nan 8.240 nan 0.000 0.497 19 I N -1.692 118.878 120.570 -0.000 0.000 3.294 19 I HA 0.866 5.322 4.170 0.476 0.000 0.311 19 I C -1.680 174.439 176.117 0.003 0.000 1.111 19 I CA -1.316 59.989 61.300 0.008 0.000 0.976 19 I CB 2.032 40.044 38.000 0.020 0.000 1.260 19 I HN 0.428 nan 8.210 nan 0.000 0.474 20 D N 1.996 122.403 120.400 0.012 0.000 2.181 20 D HA 0.432 5.358 4.640 0.476 0.000 0.248 20 D C -0.453 175.860 176.300 0.022 0.000 1.020 20 D CA -0.367 53.638 54.000 0.010 0.000 0.891 20 D CB 1.996 42.805 40.800 0.015 0.000 1.187 20 D HN 0.477 nan 8.370 nan 0.000 0.443 21 L N 3.465 124.696 121.223 0.013 0.000 2.628 21 L HA 0.093 4.719 4.340 0.476 0.000 0.274 21 L C -1.745 175.160 176.870 0.058 0.000 1.209 21 L CA -1.012 53.848 54.840 0.032 0.000 0.930 21 L CB 0.336 42.402 42.059 0.010 0.000 1.183 21 L HN 0.223 nan 8.230 nan 0.000 0.492 22 P HA 0.006 nan 4.420 nan 0.000 0.265 22 P C 0.203 177.609 177.300 0.176 0.000 1.222 22 P CA -0.086 63.089 63.100 0.125 0.000 0.767 22 P CB 1.103 32.904 31.700 0.169 0.000 0.801 23 A N 4.372 127.266 122.820 0.123 0.000 1.978 23 A HA -0.025 4.581 4.320 0.476 0.000 0.220 23 A C 0.966 178.626 177.584 0.127 0.000 1.170 23 A CA 1.298 53.404 52.037 0.115 0.000 0.636 23 A CB -0.246 18.792 19.000 0.063 0.000 0.810 23 A HN 0.450 nan 8.150 nan 0.000 0.448 24 V N -0.140 119.839 119.914 0.107 0.000 2.531 24 V HA 0.565 4.971 4.120 0.476 0.000 0.301 24 V C -0.834 175.310 176.094 0.084 0.000 1.034 24 V CA -0.649 61.662 62.300 0.018 0.000 0.865 24 V CB 1.130 32.940 31.823 -0.021 0.000 0.995 24 V HN 0.513 nan 8.190 nan 0.000 0.424 25 Y N 1.609 121.917 120.300 0.015 0.000 2.597 25 Y HA 0.746 5.582 4.550 0.476 0.000 0.340 25 Y C -0.798 175.108 175.900 0.011 0.000 1.097 25 Y CA -1.174 56.935 58.100 0.014 0.000 1.037 25 Y CB 1.841 40.310 38.460 0.015 0.000 1.305 25 Y HN 0.548 nan 8.280 nan 0.000 0.463 26 Q N 3.212 123.129 119.800 0.196 0.000 2.322 26 Q HA 0.464 5.090 4.340 0.476 0.000 0.265 26 Q C -1.903 174.239 176.000 0.236 0.000 0.985 26 Q CA -0.930 54.950 55.803 0.129 0.000 0.849 26 Q CB 1.715 30.492 28.738 0.065 0.000 1.274 26 Q HN 0.911 nan 8.270 nan 0.000 0.449 27 L N 4.809 126.173 121.223 0.236 0.000 2.265 27 L HA 0.456 5.082 4.340 0.476 0.000 0.289 27 L C -1.259 175.667 176.870 0.094 0.000 1.033 27 L CA -0.232 54.715 54.840 0.179 0.000 0.814 27 L CB 1.090 43.283 42.059 0.224 0.000 1.203 27 L HN 0.725 nan 8.230 nan 0.000 0.423 28 N N 3.366 122.106 118.700 0.067 0.000 2.476 28 N HA 0.555 5.581 4.740 0.476 0.000 0.257 28 N C 0.384 175.919 175.510 0.042 0.000 0.970 28 N CA 0.572 53.656 53.050 0.056 0.000 0.938 28 N CB 1.389 39.917 38.487 0.069 0.000 1.144 28 N HN 0.810 nan 8.380 nan 0.000 0.500 29 G N 1.733 110.555 108.800 0.035 0.000 2.175 29 G HA2 -0.189 4.056 3.960 0.476 0.000 0.182 29 G HA3 -0.189 4.056 3.960 0.476 0.000 0.182 29 G C 0.975 175.884 174.900 0.015 0.000 1.003 29 G CA 0.179 45.294 45.100 0.026 0.000 0.666 29 G HN 0.828 nan 8.290 nan 0.000 0.506 30 G N 0.436 109.246 108.800 0.017 0.000 2.469 30 G HA2 -0.136 4.110 3.960 0.476 0.000 0.219 30 G HA3 -0.136 4.110 3.960 0.476 0.000 0.219 30 G C 1.242 176.147 174.900 0.008 0.000 1.150 30 G CA 1.548 46.656 45.100 0.013 0.000 0.763 30 G HN 0.583 nan 8.290 nan 0.000 0.561 31 E N -0.256 119.950 120.200 0.010 0.000 2.358 31 E HA 0.007 4.642 4.350 0.476 0.000 0.195 31 E C 1.827 178.426 176.600 -0.002 0.000 1.010 31 E CA 0.578 56.980 56.400 0.004 0.000 0.856 31 E CB 0.192 29.895 29.700 0.006 0.000 0.795 31 E HN 0.365 nan 8.360 nan 0.000 0.504 32 E N -0.328 119.872 120.200 0.000 0.000 2.514 32 E HA 0.187 4.823 4.350 0.476 0.000 0.215 32 E C -0.137 176.459 176.600 -0.006 0.000 0.946 32 E CA -0.058 56.341 56.400 -0.002 0.000 1.038 32 E CB 0.912 30.616 29.700 0.006 0.000 1.069 32 E HN 0.127 nan 8.360 nan 0.000 0.503 33 A N 1.087 123.903 122.820 -0.007 0.000 2.287 33 A HA 0.284 4.890 4.320 0.476 0.000 0.273 33 A C 0.302 177.867 177.584 -0.031 0.000 1.091 33 A CA -0.532 51.499 52.037 -0.011 0.000 0.817 33 A CB 0.120 19.114 19.000 -0.008 0.000 1.069 33 A HN 0.116 nan 8.150 nan 0.000 0.492 34 N N 0.951 119.630 118.700 -0.036 0.000 2.236 34 N HA -0.015 5.011 4.740 0.476 0.000 0.274 34 N C -1.704 173.758 175.510 -0.080 0.000 1.339 34 N CA -1.147 51.856 53.050 -0.078 0.000 0.845 34 N CB 0.554 39.018 38.487 -0.038 0.000 1.091 34 N HN 0.187 nan 8.380 nan 0.000 0.489 35 P HA -0.137 nan 4.420 nan 0.000 0.218 35 P C 0.482 177.779 177.300 -0.006 0.000 1.148 35 P CA 1.548 64.588 63.100 -0.100 0.000 0.822 35 P CB 0.016 31.628 31.700 -0.147 0.000 0.784 36 H N -0.761 118.327 119.070 0.029 0.000 2.389 36 H HA 0.035 4.877 4.556 0.476 0.000 0.299 36 H C 2.063 177.516 175.328 0.208 0.000 1.081 36 H CA 0.790 56.886 56.048 0.081 0.000 1.345 36 H CB -0.289 29.445 29.762 -0.047 0.000 1.393 36 H HN 0.093 nan 8.280 nan 0.000 0.520 37 A N 0.717 123.708 122.820 0.285 0.000 1.898 37 A HA -0.106 4.500 4.320 0.476 0.000 0.216 37 A C 2.536 180.152 177.584 0.053 0.000 1.181 37 A CA 1.271 53.406 52.037 0.163 0.000 0.620 37 A CB -0.687 18.362 19.000 0.082 0.000 0.819 37 A HN 0.211 nan 8.150 nan 0.000 0.442 38 V N 0.270 120.208 119.914 0.040 0.000 2.427 38 V HA -0.255 4.151 4.120 0.476 0.000 0.248 38 V C 2.516 178.625 176.094 0.025 0.000 1.051 38 V CA 2.340 64.646 62.300 0.009 0.000 1.048 38 V CB -0.631 31.195 31.823 0.006 0.000 0.666 38 V HN 0.692 nan 8.190 nan 0.000 0.456 39 K N 0.079 120.516 120.400 0.061 0.000 2.026 39 K HA -0.165 4.441 4.320 0.476 0.000 0.208 39 K C 2.069 178.698 176.600 0.049 0.000 1.048 39 K CA 1.732 58.056 56.287 0.063 0.000 0.929 39 K CB -0.214 32.343 32.500 0.094 0.000 0.713 39 K HN 0.317 nan 8.250 nan 0.000 0.439 40 V N 1.697 121.645 119.914 0.057 0.000 2.255 40 V HA -0.278 4.128 4.120 0.476 0.000 0.247 40 V C 2.344 178.440 176.094 0.005 0.000 1.051 40 V CA 1.792 64.105 62.300 0.020 0.000 1.018 40 V CB -0.581 31.226 31.823 -0.027 0.000 0.641 40 V HN 0.378 nan 8.190 nan 0.000 0.445 41 L N 0.090 121.301 121.223 -0.020 0.000 2.012 41 L HA -0.194 4.432 4.340 0.476 0.000 0.210 41 L C 2.417 179.264 176.870 -0.040 0.000 1.073 41 L CA 2.031 56.840 54.840 -0.051 0.000 0.748 41 L CB -0.738 41.242 42.059 -0.130 0.000 0.891 41 L HN 0.221 nan 8.230 nan 0.000 0.431 42 K N -0.808 119.580 120.400 -0.020 0.000 2.057 42 K HA -0.176 4.429 4.320 0.476 0.000 0.207 42 K C 2.096 178.705 176.600 0.016 0.000 1.049 42 K CA 1.370 57.659 56.287 0.004 0.000 0.931 42 K CB -0.203 32.313 32.500 0.028 0.000 0.714 42 K HN 0.362 nan 8.250 nan 0.000 0.440 43 E N 0.962 121.173 120.200 0.018 0.000 2.097 43 E HA -0.208 4.427 4.350 0.476 0.000 0.196 43 E C 1.956 178.564 176.600 0.013 0.000 1.000 43 E CA 1.169 57.579 56.400 0.017 0.000 0.804 43 E CB -0.105 29.604 29.700 0.015 0.000 0.740 43 E HN 0.312 nan 8.360 nan 0.000 0.454 44 L N 0.717 121.949 121.223 0.014 0.000 2.362 44 L HA -0.038 4.588 4.340 0.476 0.000 0.219 44 L C 1.513 178.389 176.870 0.009 0.000 1.134 44 L CA 0.456 55.307 54.840 0.019 0.000 0.807 44 L CB -0.193 41.912 42.059 0.076 0.000 0.927 44 L HN 0.149 nan 8.230 nan 0.000 0.447 57 I N 3.602 124.205 120.570 0.055 0.000 2.411 57 I HA 0.478 4.934 4.170 0.476 0.000 0.284 57 I C -0.411 175.693 176.117 -0.023 0.000 1.012 57 I CA -0.387 60.894 61.300 -0.031 0.000 1.119 57 I CB 1.902 39.839 38.000 -0.105 0.000 1.261 57 I HN 0.539 nan 8.210 nan 0.000 0.448 58 S N 7.275 122.950 115.700 -0.042 0.000 2.433 58 S HA 0.605 5.361 4.470 0.476 0.000 0.310 58 S C -0.467 174.100 174.600 -0.055 0.000 1.097 58 S CA -0.469 57.732 58.200 0.001 0.000 1.103 58 S CB 1.566 64.828 63.200 0.102 0.000 0.992 58 S HN 0.494 nan 8.310 nan 0.000 0.469 59 I N 2.772 123.322 120.570 -0.033 0.000 2.545 59 I HA 0.819 5.275 4.170 0.476 0.000 0.292 59 I C -0.021 176.097 176.117 0.001 0.000 1.040 59 I CA 0.124 61.395 61.300 -0.049 0.000 1.068 59 I CB 1.477 39.427 38.000 -0.084 0.000 1.251 59 I HN 0.798 nan 8.210 nan 0.000 0.424 60 G N 5.093 113.903 108.800 0.017 0.000 2.316 60 G HA2 0.308 4.553 3.960 0.476 0.000 0.296 60 G HA3 0.308 4.553 3.960 0.476 0.000 0.296 60 G C -2.039 172.895 174.900 0.057 0.000 1.399 60 G CA -0.773 44.349 45.100 0.037 0.000 0.833 60 G HN 0.494 nan 8.290 nan 0.000 0.565 61 E N 0.428 120.660 120.200 0.052 0.000 2.222 61 E HA 0.484 5.120 4.350 0.476 0.000 0.272 61 E C 0.217 176.858 176.600 0.067 0.000 0.982 61 E CA -0.835 55.603 56.400 0.063 0.000 0.842 61 E CB 1.532 31.258 29.700 0.044 0.000 1.144 61 E HN 0.576 nan 8.360 nan 0.000 0.397 62 K N 0.878 121.323 120.400 0.075 0.000 2.504 62 K HA 0.027 4.633 4.320 0.476 0.000 0.278 62 K C 0.695 177.320 176.600 0.041 0.000 1.025 62 K CA 1.350 57.675 56.287 0.063 0.000 1.093 62 K CB -0.272 32.261 32.500 0.055 0.000 0.873 62 K HN 0.726 nan 8.250 nan 0.000 0.483 63 G N 3.380 112.201 108.800 0.035 0.000 2.284 63 G HA2 -0.198 4.048 3.960 0.476 0.000 0.216 63 G HA3 -0.198 4.048 3.960 0.476 0.000 0.216 63 G C -0.413 174.501 174.900 0.024 0.000 1.009 63 G CA 0.004 45.117 45.100 0.023 0.000 0.625 63 G HN 0.695 nan 8.290 nan 0.000 0.501 64 D N 1.053 121.473 120.400 0.033 0.000 2.382 64 D HA 0.378 5.304 4.640 0.476 0.000 0.245 64 D C 1.524 177.846 176.300 0.037 0.000 1.120 64 D CA -0.147 53.873 54.000 0.033 0.000 0.890 64 D CB 0.945 41.769 40.800 0.039 0.000 1.201 64 D HN 0.283 nan 8.370 nan 0.000 0.433 65 K N 0.688 121.105 120.400 0.028 0.000 2.063 65 K HA -0.158 4.448 4.320 0.476 0.000 0.208 65 K C 1.963 178.588 176.600 0.041 0.000 1.048 65 K CA 1.376 57.679 56.287 0.025 0.000 0.928 65 K CB -0.171 32.340 32.500 0.019 0.000 0.713 65 K HN 0.457 nan 8.250 nan 0.000 0.442 66 S N 0.907 116.640 115.700 0.056 0.000 2.419 66 S HA -0.111 4.645 4.470 0.476 0.000 0.235 66 S C 1.808 176.496 174.600 0.146 0.000 1.019 66 S CA 1.432 59.682 58.200 0.084 0.000 0.982 66 S CB -0.493 62.749 63.200 0.071 0.000 0.789 66 S HN 0.202 nan 8.310 nan 0.000 0.490 67 V N -2.469 117.533 119.914 0.148 0.000 3.176 67 V HA 0.466 4.872 4.120 0.476 0.000 0.332 67 V C 1.682 177.878 176.094 0.170 0.000 1.414 67 V CA -0.577 61.884 62.300 0.268 0.000 1.133 67 V CB -0.562 31.404 31.823 0.239 0.000 1.088 67 V HN 0.214 nan 8.190 nan 0.000 0.473 68 R N 1.199 121.724 120.500 0.042 0.000 2.091 68 R HA -0.140 4.486 4.340 0.476 0.000 0.238 68 R C 2.206 178.427 176.300 -0.131 0.000 1.136 68 R CA 2.053 58.135 56.100 -0.029 0.000 0.959 68 R CB -0.295 29.983 30.300 -0.036 0.000 0.856 68 R HN 0.544 nan 8.270 nan 0.000 0.437 69 K N 0.078 120.292 120.400 -0.311 0.000 2.280 69 K HA -0.159 4.447 4.320 0.476 0.000 0.202 69 K C 0.564 176.805 176.600 -0.598 0.000 1.047 69 K CA 1.311 57.263 56.287 -0.559 0.000 0.942 69 K CB 0.149 32.111 32.500 -0.897 0.000 0.739 69 K HN 0.237 nan 8.250 nan 0.000 0.457 70 Y N -0.444 119.843 120.300 -0.020 0.000 2.507 70 Y HA 0.121 4.957 4.550 0.476 0.000 0.254 70 Y C 1.922 177.754 175.900 -0.114 0.000 1.171 70 Y CA 0.005 58.052 58.100 -0.089 0.000 1.238 70 Y CB 0.223 38.684 38.460 0.001 0.000 1.148 70 Y HN 0.086 nan 8.280 nan 0.000 0.525 71 S N 0.361 116.076 115.700 0.024 0.000 2.419 71 S HA -0.220 4.536 4.470 0.476 0.000 0.235 71 S C 1.746 176.332 174.600 -0.022 0.000 1.019 71 S CA 1.137 59.345 58.200 0.014 0.000 0.982 71 S CB -0.230 62.968 63.200 -0.003 0.000 0.789 71 S HN 0.504 nan 8.310 nan 0.000 0.490 72 R N 0.367 120.833 120.500 -0.057 0.000 2.300 72 R HA 0.219 4.845 4.340 0.476 0.000 0.199 72 R C 1.899 178.136 176.300 -0.103 0.000 0.920 72 R CA 0.367 56.428 56.100 -0.066 0.000 1.046 72 R CB -0.013 30.250 30.300 -0.060 0.000 0.984 72 R HN 0.441 nan 8.270 nan 0.000 0.493 73 Q N 0.446 120.128 119.800 -0.197 0.000 2.331 73 Q HA 0.095 4.721 4.340 0.476 0.000 0.203 73 Q C 0.736 176.634 176.000 -0.171 0.000 0.944 73 Q CA 0.579 56.160 55.803 -0.370 0.000 0.892 73 Q CB 0.277 28.324 28.738 -1.151 0.000 0.983 73 Q HN 0.338 nan 8.270 nan 0.000 0.482 74 I N 4.093 124.636 120.570 -0.045 0.000 2.505 74 I HA 0.050 4.505 4.170 0.476 0.000 0.287 74 I C -2.024 174.142 176.117 0.081 0.000 1.104 74 I CA -1.721 59.639 61.300 0.100 0.000 1.387 74 I CB 0.246 38.318 38.000 0.120 0.000 1.404 74 I HN -0.179 nan 8.210 nan 0.000 0.528 75 P HA -0.046 nan 4.420 nan 0.000 0.266 75 P C -0.434 176.902 177.300 0.060 0.000 1.195 75 P CA -0.032 63.136 63.100 0.113 0.000 0.768 75 P CB 0.446 32.259 31.700 0.187 0.000 0.838 76 D N 2.610 122.977 120.400 -0.056 0.000 2.896 76 D HA 0.055 4.981 4.640 0.476 0.000 0.240 76 D C -0.605 175.430 176.300 -0.442 0.000 1.193 76 D CA 0.009 53.895 54.000 -0.190 0.000 0.983 76 D CB -0.690 39.982 40.800 -0.213 0.000 1.074 76 D HN 0.303 nan 8.370 nan 0.000 0.496 77 H N 1.052 120.019 119.070 -0.170 0.000 2.806 77 H HA 0.224 5.065 4.556 0.476 0.000 0.367 77 H C 0.120 175.412 175.328 -0.061 0.000 1.136 77 H CA -0.918 55.014 56.048 -0.193 0.000 1.178 77 H CB 1.454 30.975 29.762 -0.402 0.000 1.718 77 H HN 0.021 nan 8.280 nan 0.000 0.540 78 K N 2.180 122.608 120.400 0.046 0.000 2.504 78 K HA -0.121 4.484 4.320 0.476 0.000 0.278 78 K C 0.441 177.120 176.600 0.132 0.000 1.025 78 K CA 0.808 57.134 56.287 0.064 0.000 1.093 78 K CB 0.387 32.897 32.500 0.017 0.000 0.873 78 K HN 0.800 nan 8.250 nan 0.000 0.483 79 E N -1.195 119.119 120.200 0.190 0.000 3.496 79 E HA -0.184 4.452 4.350 0.476 0.000 0.300 79 E C 0.582 177.471 176.600 0.482 0.000 0.877 79 E CA 0.760 57.366 56.400 0.343 0.000 1.050 79 E CB -1.650 28.313 29.700 0.438 0.000 1.532 79 E HN 0.837 nan 8.360 nan 0.000 0.447 80 G N 0.403 109.415 108.800 0.353 0.000 2.539 80 G HA2 0.446 4.692 3.960 0.476 0.000 0.258 80 G HA3 0.446 4.692 3.960 0.476 0.000 0.258 80 G C -0.336 174.829 174.900 0.441 0.000 1.202 80 G CA 0.179 45.502 45.100 0.372 0.000 0.851 80 G HN 0.265 nan 8.290 nan 0.000 0.556 81 Y N -1.167 119.319 120.300 0.310 0.000 2.609 81 Y HA 0.639 5.474 4.550 0.476 0.000 0.336 81 Y C -1.756 174.306 175.900 0.269 0.000 1.129 81 Y CA -2.092 56.158 58.100 0.251 0.000 1.040 81 Y CB 1.469 40.058 38.460 0.214 0.000 1.310 81 Y HN 0.615 nan 8.280 nan 0.000 0.460 82 Y N 3.530 123.966 120.300 0.226 0.000 2.364 82 Y HA 0.726 5.561 4.550 0.476 0.000 0.340 82 Y C -1.785 174.225 175.900 0.185 0.000 0.975 82 Y CA -1.799 56.376 58.100 0.125 0.000 1.089 82 Y CB 1.647 40.156 38.460 0.082 0.000 1.192 82 Y HN 0.949 nan 8.280 nan 0.000 0.454 83 L N 5.884 126.832 121.223 -0.459 0.000 2.381 83 L HA 0.715 5.340 4.340 0.476 0.000 0.274 83 L C -1.228 175.236 176.870 -0.676 0.000 0.988 83 L CA -0.305 54.300 54.840 -0.392 0.000 0.824 83 L CB 1.628 43.704 42.059 0.028 0.000 1.263 83 L HN 0.684 nan 8.230 nan 0.000 0.410 84 S N 3.648 119.008 115.700 -0.567 0.000 2.547 84 S HA 0.805 5.561 4.470 0.476 0.000 0.281 84 S C -1.444 173.067 174.600 -0.148 0.000 1.118 84 S CA -0.471 57.519 58.200 -0.351 0.000 0.947 84 S CB 1.834 64.857 63.200 -0.296 0.000 1.053 84 S HN 0.400 nan 8.310 nan 0.000 0.482 85 V N 5.428 125.310 119.914 -0.052 0.000 2.525 85 V HA 0.604 5.009 4.120 0.476 0.000 0.299 85 V C -0.557 175.548 176.094 0.018 0.000 1.034 85 V CA -0.802 61.503 62.300 0.008 0.000 0.863 85 V CB 1.376 33.230 31.823 0.052 0.000 0.999 85 V HN 0.994 nan 8.190 nan 0.000 0.423 86 N N 2.444 121.161 118.700 0.029 0.000 3.278 86 N HA 0.411 5.437 4.740 0.476 0.000 0.307 86 N C 0.637 176.171 175.510 0.040 0.000 1.551 86 N CA -0.861 52.212 53.050 0.037 0.000 0.794 86 N CB 0.633 39.149 38.487 0.048 0.000 1.770 86 N HN 0.233 nan 8.380 nan 0.000 0.612 87 E N 0.473 120.696 120.200 0.039 0.000 2.097 87 E HA -0.270 4.366 4.350 0.476 0.000 0.196 87 E C 1.136 177.762 176.600 0.044 0.000 1.000 87 E CA 2.081 58.504 56.400 0.038 0.000 0.804 87 E CB -0.375 29.346 29.700 0.035 0.000 0.740 87 E HN 0.852 nan 8.360 nan 0.000 0.454 88 K N 1.053 121.484 120.400 0.051 0.000 2.166 88 K HA 0.007 4.613 4.320 0.476 0.000 0.201 88 K C 1.115 177.753 176.600 0.063 0.000 1.052 88 K CA 0.743 57.064 56.287 0.057 0.000 0.969 88 K CB 0.221 32.758 32.500 0.062 0.000 0.761 88 K HN 0.230 nan 8.250 nan 0.000 0.459 89 E N 0.213 120.449 120.200 0.061 0.000 2.437 89 E HA 0.409 5.045 4.350 0.476 0.000 0.280 89 E C -1.316 175.295 176.600 0.018 0.000 1.044 89 E CA -1.007 55.425 56.400 0.053 0.000 0.826 89 E CB 1.196 30.945 29.700 0.081 0.000 1.358 89 E HN 0.060 nan 8.360 nan 0.000 0.459 90 I N 1.363 121.922 120.570 -0.018 0.000 2.433 90 I HA 0.416 4.872 4.170 0.476 0.000 0.292 90 I C -0.923 175.092 176.117 -0.171 0.000 1.001 90 I CA -1.215 60.033 61.300 -0.087 0.000 1.119 90 I CB 2.000 39.939 38.000 -0.101 0.000 1.289 90 I HN 0.312 nan 8.210 nan 0.000 0.438 91 V N 7.372 127.135 119.914 -0.251 0.000 2.604 91 V HA 0.507 4.913 4.120 0.476 0.000 0.305 91 V C -0.348 175.564 176.094 -0.303 0.000 1.043 91 V CA -0.556 61.539 62.300 -0.341 0.000 0.888 91 V CB 2.044 33.520 31.823 -0.577 0.000 0.995 91 V HN 0.476 nan 8.190 nan 0.000 0.429 92 L N 4.354 125.441 121.223 -0.228 0.000 2.492 92 L HA 0.778 5.404 4.340 0.476 0.000 0.258 92 L C -0.147 176.697 176.870 -0.042 0.000 1.028 92 L CA -0.255 54.484 54.840 -0.170 0.000 0.900 92 L CB 1.492 43.384 42.059 -0.278 0.000 1.191 92 L HN 0.730 nan 8.230 nan 0.000 0.459 93 A N 1.650 124.516 122.820 0.077 0.000 2.340 93 A HA 0.823 5.429 4.320 0.476 0.000 0.297 93 A C 0.162 177.882 177.584 0.227 0.000 1.195 93 A CA -0.360 51.770 52.037 0.154 0.000 0.769 93 A CB 1.162 20.296 19.000 0.223 0.000 1.163 93 A HN 0.579 nan 8.150 nan 0.000 0.472 94 G N 0.718 109.625 108.800 0.179 0.000 2.425 94 G HA2 0.361 4.607 3.960 0.476 0.000 0.302 94 G HA3 0.361 4.607 3.960 0.476 0.000 0.302 94 G C 0.564 175.570 174.900 0.177 0.000 1.159 94 G CA -0.419 44.810 45.100 0.216 0.000 0.865 94 G HN 0.671 nan 8.290 nan 0.000 0.515 95 N N -0.229 118.584 118.700 0.189 0.000 2.364 95 N HA -0.036 4.990 4.740 0.476 0.000 0.183 95 N C 0.125 175.690 175.510 0.092 0.000 1.022 95 N CA 1.450 54.576 53.050 0.127 0.000 0.883 95 N CB 0.114 38.672 38.487 0.118 0.000 0.965 95 N HN 0.770 nan 8.380 nan 0.000 0.438 96 D N -3.247 117.213 120.400 0.099 0.000 2.665 96 D HA 0.128 5.054 4.640 0.476 0.000 0.287 96 D C 0.199 176.529 176.300 0.051 0.000 1.266 96 D CA -0.605 53.433 54.000 0.063 0.000 0.830 96 D CB 0.214 41.049 40.800 0.057 0.000 1.356 96 D HN -0.105 nan 8.370 nan 0.000 0.437 97 E N -0.548 119.664 120.200 0.020 0.000 2.110 97 E HA -0.191 4.445 4.350 0.476 0.000 0.193 97 E C 1.704 178.291 176.600 -0.022 0.000 0.988 97 E CA 0.855 57.252 56.400 -0.004 0.000 0.804 97 E CB 0.096 29.778 29.700 -0.031 0.000 0.745 97 E HN 0.357 nan 8.360 nan 0.000 0.458 98 R N 0.473 120.941 120.500 -0.054 0.000 2.075 98 R HA -0.097 4.529 4.340 0.476 0.000 0.232 98 R C 2.455 178.599 176.300 -0.261 0.000 1.126 98 R CA 1.316 57.294 56.100 -0.202 0.000 0.963 98 R CB -0.387 29.808 30.300 -0.175 0.000 0.858 98 R HN 0.200 nan 8.270 nan 0.000 0.435 99 G N -0.548 108.266 108.800 0.023 0.000 2.469 99 G HA2 -0.277 3.969 3.960 0.476 0.000 0.219 99 G HA3 -0.277 3.969 3.960 0.476 0.000 0.219 99 G C 1.278 176.269 174.900 0.151 0.000 1.150 99 G CA 1.427 46.670 45.100 0.238 0.000 0.763 99 G HN 0.352 nan 8.290 nan 0.000 0.561 100 T N -0.159 114.440 114.554 0.074 0.000 2.708 100 T HA -0.166 4.469 4.350 0.476 0.000 0.266 100 T C 1.964 176.646 174.700 -0.030 0.000 1.037 100 T CA 1.253 63.368 62.100 0.025 0.000 1.146 100 T CB -0.419 68.467 68.868 0.029 0.000 0.865 100 T HN 0.320 nan 8.240 nan 0.000 0.435 101 Y N 1.177 121.398 120.300 -0.132 0.000 2.102 101 Y HA -0.315 4.521 4.550 0.477 0.000 0.280 101 Y C 2.154 178.010 175.900 -0.073 0.000 1.178 101 Y CA 1.433 59.459 58.100 -0.123 0.000 1.146 101 Y CB -0.588 37.771 38.460 -0.167 0.000 0.968 101 Y HN 0.212 nan 8.280 nan 0.000 0.504 102 Y N -0.558 119.672 120.300 -0.116 0.000 2.242 102 Y HA -0.124 4.711 4.550 0.475 0.000 0.291 102 Y C 2.663 178.060 175.900 -0.838 0.000 1.137 102 Y CA 0.483 58.368 58.100 -0.358 0.000 1.181 102 Y CB -1.583 36.842 38.460 -0.058 0.000 0.989 102 Y HN 0.250 nan 8.280 nan 0.000 0.527 103 A N 0.056 122.347 122.820 -0.882 0.000 1.917 103 A HA -0.193 4.412 4.320 0.476 0.000 0.219 103 A C 2.314 179.634 177.584 -0.440 0.000 1.182 103 A CA 1.787 53.230 52.037 -0.989 0.000 0.633 103 A CB -1.147 17.603 19.000 -0.417 0.000 0.819 103 A HN 0.416 nan 8.150 nan 0.000 0.448 104 L N -0.635 120.391 121.223 -0.329 0.000 2.141 104 L HA -0.181 4.445 4.340 0.476 0.000 0.209 104 L C 2.739 179.490 176.870 -0.199 0.000 1.094 104 L CA 1.205 55.919 54.840 -0.210 0.000 0.763 104 L CB -0.294 41.630 42.059 -0.226 0.000 0.908 104 L HN 0.343 nan 8.230 nan 0.000 0.437 105 Q N -0.927 118.673 119.800 -0.333 0.000 2.167 105 Q HA -0.127 4.499 4.340 0.476 0.000 0.202 105 Q C 2.249 178.108 176.000 -0.234 0.000 0.970 105 Q CA 1.794 57.418 55.803 -0.299 0.000 0.855 105 Q CB -0.550 27.984 28.738 -0.339 0.000 0.911 105 Q HN 0.459 nan 8.270 nan 0.000 0.438 106 T N 1.043 115.453 114.554 -0.241 0.000 2.812 106 T HA -0.082 4.554 4.350 0.476 0.000 0.264 106 T C 1.465 176.125 174.700 -0.067 0.000 1.042 106 T CA 0.721 62.732 62.100 -0.148 0.000 1.140 106 T CB -0.368 68.455 68.868 -0.074 0.000 0.870 106 T HN 0.205 nan 8.240 nan 0.000 0.445 107 F N 2.453 122.289 119.950 -0.190 0.000 2.120 107 F HA -0.113 4.699 4.527 0.476 0.000 0.300 107 F C 2.414 178.133 175.800 -0.135 0.000 1.095 107 F CA 1.096 59.006 58.000 -0.151 0.000 1.249 107 F CB -0.636 38.265 39.000 -0.164 0.000 0.995 107 F HN 0.147 nan 8.300 nan 0.000 0.480 108 A N -0.438 122.308 122.820 -0.124 0.000 1.972 108 A HA -0.216 4.390 4.320 0.476 0.000 0.219 108 A C 2.102 179.561 177.584 -0.209 0.000 1.169 108 A CA 1.716 53.641 52.037 -0.187 0.000 0.635 108 A CB -0.722 18.214 19.000 -0.107 0.000 0.810 108 A HN 0.621 nan 8.150 nan 0.000 0.446 109 Q N -0.709 118.983 119.800 -0.181 0.000 2.245 109 Q HA 0.078 4.704 4.340 0.476 0.000 0.201 109 Q C 1.836 177.738 176.000 -0.164 0.000 0.955 109 Q CA 0.830 56.544 55.803 -0.149 0.000 0.870 109 Q CB -0.150 28.513 28.738 -0.125 0.000 0.945 109 Q HN 0.687 nan 8.270 nan 0.000 0.461 110 L N 0.036 121.126 121.223 -0.222 0.000 2.131 110 L HA -0.021 4.605 4.340 0.476 0.000 0.206 110 L C 0.788 177.503 176.870 -0.258 0.000 1.087 110 L CA -0.155 54.555 54.840 -0.216 0.000 0.767 110 L CB -0.087 41.836 42.059 -0.227 0.000 0.917 110 L HN 0.207 nan 8.230 nan 0.000 0.441 111 L N 2.328 123.323 121.223 -0.380 0.000 2.638 111 L HA 0.039 4.665 4.340 0.476 0.000 0.273 111 L C -0.247 176.506 176.870 -0.195 0.000 1.147 111 L CA 0.845 55.484 54.840 -0.335 0.000 0.941 111 L CB -0.457 41.340 42.059 -0.436 0.000 1.251 111 L HN -0.029 nan 8.230 nan 0.000 0.479 112 K N 4.867 125.181 120.400 -0.143 0.000 2.559 112 K HA 0.274 4.880 4.320 0.476 0.000 0.249 112 K C -0.688 175.867 176.600 -0.074 0.000 0.958 112 K CA -0.498 55.732 56.287 -0.096 0.000 0.901 112 K CB 1.257 33.710 32.500 -0.078 0.000 1.124 112 K HN 0.560 nan 8.250 nan 0.000 0.437 113 D N 1.912 122.274 120.400 -0.064 0.000 2.739 113 D HA -0.160 4.766 4.640 0.476 0.000 0.240 113 D C 0.731 177.005 176.300 -0.043 0.000 1.114 113 D CA 1.578 55.551 54.000 -0.046 0.000 0.695 113 D CB -1.025 39.753 40.800 -0.036 0.000 1.078 113 D HN 1.024 nan 8.370 nan 0.000 0.434 114 G N -0.368 108.401 108.800 -0.052 0.000 2.155 114 G HA2 -0.357 3.888 3.960 0.476 0.000 0.257 114 G HA3 -0.357 3.888 3.960 0.476 0.000 0.257 114 G C 0.227 175.100 174.900 -0.045 0.000 0.983 114 G CA 0.950 46.025 45.100 -0.042 0.000 0.676 114 G HN 0.504 nan 8.290 nan 0.000 0.528 115 K N -0.730 119.631 120.400 -0.064 0.000 2.422 115 K HA 0.757 5.362 4.320 0.476 0.000 0.251 115 K C -0.456 176.088 176.600 -0.092 0.000 0.933 115 K CA -0.824 55.428 56.287 -0.059 0.000 0.798 115 K CB 2.028 34.502 32.500 -0.043 0.000 1.238 115 K HN 0.099 nan 8.250 nan 0.000 0.428 116 L N 3.665 124.842 121.223 -0.077 0.000 2.365 116 L HA 0.543 5.168 4.340 0.476 0.000 0.273 116 L C -2.242 174.595 176.870 -0.053 0.000 1.000 116 L CA -2.135 52.647 54.840 -0.097 0.000 0.819 116 L CB 2.067 44.080 42.059 -0.076 0.000 1.284 116 L HN 0.451 nan 8.230 nan 0.000 0.418 117 P HA 0.074 nan 4.420 nan 0.000 0.276 117 P C -1.154 176.137 177.300 -0.014 0.000 1.252 117 P CA -0.479 62.602 63.100 -0.030 0.000 0.802 117 P CB 0.875 32.555 31.700 -0.033 0.000 1.035 118 E N 0.604 120.802 120.200 -0.003 0.000 2.130 118 E HA 0.402 5.038 4.350 0.476 0.000 0.284 118 E C -0.673 175.931 176.600 0.006 0.000 1.018 118 E CA -0.684 55.720 56.400 0.007 0.000 0.817 118 E CB 0.284 29.992 29.700 0.013 0.000 1.078 118 E HN 0.298 nan 8.360 nan 0.000 0.396 119 V N 0.915 120.832 119.914 0.004 0.000 3.147 119 V HA 0.611 5.017 4.120 0.476 0.000 0.306 119 V C -0.990 175.096 176.094 -0.014 0.000 1.209 119 V CA -1.034 61.265 62.300 -0.001 0.000 1.023 119 V CB 1.900 33.719 31.823 -0.007 0.000 1.059 119 V HN 0.735 nan 8.190 nan 0.000 0.435 120 E N 1.730 121.927 120.200 -0.005 0.000 2.263 120 E HA 0.722 5.358 4.350 0.476 0.000 0.268 120 E C -1.889 174.705 176.600 -0.010 0.000 0.884 120 E CA -0.729 55.657 56.400 -0.023 0.000 0.766 120 E CB 2.237 31.985 29.700 0.080 0.000 1.196 120 E HN 0.810 nan 8.360 nan 0.000 0.416 121 I N 3.632 124.157 120.570 -0.075 0.000 2.509 121 I HA 0.390 4.846 4.170 0.476 0.000 0.293 121 I C -0.642 175.467 176.117 -0.013 0.000 1.020 121 I CA -0.777 60.506 61.300 -0.028 0.000 1.088 121 I CB 2.023 40.025 38.000 0.003 0.000 1.267 121 I HN 0.295 nan 8.210 nan 0.000 0.430 122 K N 4.149 124.553 120.400 0.006 0.000 2.463 122 K HA 0.557 5.163 4.320 0.476 0.000 0.255 122 K C -1.563 174.969 176.600 -0.112 0.000 0.942 122 K CA -0.752 55.553 56.287 0.029 0.000 0.814 122 K CB 2.077 34.664 32.500 0.145 0.000 1.122 122 K HN 0.399 nan 8.250 nan 0.000 0.425 123 D N 1.797 122.026 120.400 -0.285 0.000 2.602 123 D HA 0.524 5.450 4.640 0.476 0.000 0.236 123 D C -1.763 174.461 176.300 -0.127 0.000 1.209 123 D CA -0.235 53.549 54.000 -0.360 0.000 0.831 123 D CB 1.321 41.788 40.800 -0.555 0.000 1.478 123 D HN 0.408 nan 8.370 nan 0.000 0.438 124 Y N -1.790 118.411 120.300 -0.165 0.000 2.717 124 Y HA 0.495 5.330 4.550 0.476 0.000 0.345 124 Y C -3.145 172.008 175.900 -1.245 0.000 1.187 124 Y CA -1.771 56.059 58.100 -0.451 0.000 1.128 124 Y CB 0.562 38.804 38.460 -0.363 0.000 1.360 124 Y HN 0.076 nan 8.280 nan 0.000 0.467 125 P HA 0.273 nan 4.420 nan 0.000 0.284 125 P C -0.217 176.685 177.300 -0.664 0.000 1.253 125 P CA -0.276 61.879 63.100 -1.576 0.000 0.800 125 P CB 2.075 33.140 31.700 -1.058 0.000 0.961 126 S N 0.522 115.885 115.700 -0.562 0.000 2.496 126 S HA 0.082 4.838 4.470 0.476 0.000 0.224 126 S C 0.881 175.341 174.600 -0.233 0.000 0.996 126 S CA 0.227 58.243 58.200 -0.305 0.000 0.927 126 S CB 0.024 63.048 63.200 -0.294 0.000 0.774 126 S HN 0.332 nan 8.310 nan 0.000 0.524 127 V N 1.682 121.444 119.914 -0.253 0.000 2.604 127 V HA 0.385 4.791 4.120 0.476 0.000 0.305 127 V C 1.007 176.996 176.094 -0.174 0.000 1.043 127 V CA -0.890 61.306 62.300 -0.174 0.000 0.888 127 V CB 1.989 33.724 31.823 -0.147 0.000 0.995 127 V HN 0.120 nan 8.190 nan 0.000 0.429 128 R N 2.777 123.156 120.500 -0.201 0.000 2.062 128 R HA -0.004 4.622 4.340 0.476 0.000 0.229 128 R C -0.362 175.673 176.300 -0.441 0.000 1.128 128 R CA 1.298 57.184 56.100 -0.356 0.000 0.960 128 R CB 0.104 30.106 30.300 -0.496 0.000 0.855 128 R HN 0.629 nan 8.270 nan 0.000 0.432 129 Y N 0.522 120.803 120.300 -0.032 0.000 2.328 129 Y HA 0.444 5.283 4.550 0.481 0.000 0.337 129 Y C -0.532 175.338 175.900 -0.049 0.000 0.966 129 Y CA -0.829 57.254 58.100 -0.029 0.000 1.136 129 Y CB 1.598 40.007 38.460 -0.084 0.000 1.170 129 Y HN -0.091 nan 8.280 nan 0.000 0.470 130 R N 1.903 122.521 120.500 0.197 0.000 2.575 130 R HA 0.817 5.443 4.340 0.476 0.000 0.293 130 R C -0.084 176.296 176.300 0.133 0.000 0.983 130 R CA -0.767 55.428 56.100 0.157 0.000 0.887 130 R CB 2.250 32.634 30.300 0.141 0.000 1.184 130 R HN 0.897 nan 8.270 nan 0.000 0.445 131 G N 0.758 109.616 108.800 0.097 0.000 2.564 131 G HA2 0.192 4.438 3.960 0.476 0.000 0.139 131 G HA3 0.192 4.438 3.960 0.476 0.000 0.139 131 G C -1.751 173.107 174.900 -0.070 0.000 1.147 131 G CA -0.502 44.571 45.100 -0.046 0.000 1.031 131 G HN 0.341 nan 8.290 nan 0.000 0.482 132 V N 0.317 120.142 119.914 -0.149 0.000 2.638 132 V HA 0.669 5.074 4.120 0.476 0.000 0.306 132 V C -0.492 175.506 176.094 -0.161 0.000 1.052 132 V CA -0.712 61.532 62.300 -0.093 0.000 0.885 132 V CB 1.531 33.355 31.823 0.001 0.000 0.999 132 V HN 1.076 nan 8.190 nan 0.000 0.424 133 V N 4.653 124.358 119.914 -0.348 0.000 2.333 133 V HA 0.418 4.824 4.120 0.476 0.000 0.274 133 V C 0.424 176.148 176.094 -0.616 0.000 1.028 133 V CA -0.210 61.731 62.300 -0.599 0.000 0.851 133 V CB 1.341 32.548 31.823 -1.026 0.000 1.000 133 V HN 1.026 nan 8.190 nan 0.000 0.456 134 E N 5.019 124.822 120.200 -0.663 0.000 1.775 134 E HA 0.327 4.963 4.350 0.476 0.000 0.266 134 E C 0.807 176.793 176.600 -1.023 0.000 1.191 134 E CA 0.380 56.240 56.400 -0.901 0.000 1.048 134 E CB 0.113 29.264 29.700 -0.916 0.000 1.081 134 E HN 0.913 nan 8.360 nan 0.000 0.434 135 G N 4.097 112.381 108.800 -0.859 0.000 3.839 135 G HA2 0.087 4.333 3.960 0.476 0.000 0.286 135 G HA3 0.087 4.333 3.960 0.476 0.000 0.286 135 G C -0.129 174.504 174.900 -0.445 0.000 1.005 135 G CA -0.432 44.300 45.100 -0.614 0.000 0.824 135 G HN 0.427 nan 8.290 nan 0.000 0.489 136 F N -0.305 119.416 119.950 -0.382 0.000 2.380 136 F HA 0.751 5.574 4.527 0.493 0.000 0.325 136 F C -0.235 175.338 175.800 -0.379 0.000 1.136 136 F CA -2.625 55.188 58.000 -0.312 0.000 1.171 136 F CB 0.270 39.129 39.000 -0.235 0.000 1.230 136 F HN -0.022 nan 8.300 nan 0.000 0.554 137 Y N 1.121 121.510 120.300 0.149 0.000 2.346 137 Y HA 0.524 5.362 4.550 0.480 0.000 0.330 137 Y C 0.936 176.963 175.900 0.211 0.000 1.178 137 Y CA 0.478 58.631 58.100 0.088 0.000 1.331 137 Y CB 0.727 39.169 38.460 -0.031 0.000 1.253 137 Y HN 1.112 nan 8.280 nan 0.000 0.529 138 G N 0.493 109.484 108.800 0.318 0.000 2.353 138 G HA2 -0.102 4.143 3.960 0.476 0.000 0.615 138 G HA3 -0.102 4.143 3.960 0.476 0.000 0.615 138 G C -1.018 174.046 174.900 0.273 0.000 1.280 138 G CA -1.144 44.116 45.100 0.266 0.000 1.000 138 G HN 0.516 nan 8.290 nan 0.000 0.516 139 T N 3.526 118.215 114.554 0.225 0.000 2.793 139 T HA 0.437 5.073 4.350 0.476 0.000 0.289 139 T C -1.939 172.952 174.700 0.317 0.000 0.956 139 T CA 0.296 62.529 62.100 0.222 0.000 1.177 139 T CB 0.677 69.651 68.868 0.177 0.000 0.897 139 T HN 0.462 nan 8.240 nan 0.000 0.533 140 P HA 0.060 nan 4.420 nan 0.000 0.269 140 P C -0.032 177.491 177.300 0.371 0.000 1.209 140 P CA -0.674 62.532 63.100 0.177 0.000 0.776 140 P CB 0.386 32.119 31.700 0.056 0.000 0.876 141 W N 1.733 123.176 121.300 0.239 0.000 2.377 141 W HA -0.001 4.951 4.660 0.486 0.000 0.341 141 W C 1.092 177.705 176.519 0.157 0.000 1.240 141 W CA -0.109 57.346 57.345 0.185 0.000 1.311 141 W CB -1.011 28.557 29.460 0.180 0.000 1.175 141 W HN 0.366 nan 8.180 nan 0.000 0.571 142 S N 1.360 117.245 115.700 0.308 0.000 2.576 142 S HA -0.089 4.667 4.470 0.476 0.000 0.272 142 S C 1.097 175.825 174.600 0.214 0.000 1.352 142 S CA 0.286 58.620 58.200 0.223 0.000 1.021 142 S CB 0.773 64.054 63.200 0.134 0.000 0.887 142 S HN 0.567 nan 8.310 nan 0.000 0.542 143 H N 1.187 120.333 119.070 0.128 0.000 2.352 143 H HA -0.082 4.758 4.556 0.474 0.000 0.299 143 H C 2.062 177.415 175.328 0.042 0.000 1.097 143 H CA 2.460 58.568 56.048 0.099 0.000 1.311 143 H CB -0.082 29.723 29.762 0.071 0.000 1.377 143 H HN 0.597 nan 8.280 nan 0.000 0.504 144 Q N -0.087 119.705 119.800 -0.013 0.000 2.119 144 Q HA -0.031 4.595 4.340 0.476 0.000 0.201 144 Q C 2.580 178.483 176.000 -0.160 0.000 0.972 144 Q CA 1.115 56.859 55.803 -0.099 0.000 0.847 144 Q CB -0.595 28.125 28.738 -0.029 0.000 0.903 144 Q HN 0.614 nan 8.270 nan 0.000 0.433 145 A N 1.334 124.070 122.820 -0.141 0.000 1.883 145 A HA -0.224 4.382 4.320 0.476 0.000 0.217 145 A C 2.181 179.580 177.584 -0.309 0.000 1.186 145 A CA 1.593 53.477 52.037 -0.256 0.000 0.624 145 A CB -0.508 18.314 19.000 -0.297 0.000 0.822 145 A HN 0.279 nan 8.150 nan 0.000 0.444 146 R N -0.654 119.744 120.500 -0.171 0.000 2.105 146 R HA -0.074 4.552 4.340 0.476 0.000 0.239 146 R C 2.085 178.216 176.300 -0.282 0.000 1.135 146 R CA 1.472 57.481 56.100 -0.152 0.000 0.967 146 R CB -0.543 29.791 30.300 0.056 0.000 0.861 146 R HN 0.530 nan 8.270 nan 0.000 0.442 147 L N -0.257 120.783 121.223 -0.306 0.000 2.017 147 L HA -0.198 4.428 4.340 0.476 0.000 0.208 147 L C 2.658 179.380 176.870 -0.247 0.000 1.073 147 L CA 1.267 55.941 54.840 -0.276 0.000 0.745 147 L CB -0.527 41.369 42.059 -0.272 0.000 0.894 147 L HN 0.198 nan 8.230 nan 0.000 0.432 148 S N -0.919 114.630 115.700 -0.252 0.000 2.359 148 S HA -0.221 4.535 4.470 0.476 0.000 0.224 148 S C 2.059 176.477 174.600 -0.303 0.000 1.035 148 S CA 1.250 59.305 58.200 -0.241 0.000 1.018 148 S CB -0.090 62.959 63.200 -0.253 0.000 0.876 148 S HN 0.371 nan 8.310 nan 0.000 0.448 149 Q N 0.644 120.177 119.800 -0.445 0.000 2.061 149 Q HA -0.094 4.531 4.340 0.476 0.000 0.204 149 Q C 2.348 177.762 176.000 -0.977 0.000 0.984 149 Q CA 1.402 56.800 55.803 -0.675 0.000 0.846 149 Q CB -0.698 27.635 28.738 -0.676 0.000 0.902 149 Q HN 0.560 nan 8.270 nan 0.000 0.421 150 L N 0.412 121.224 121.223 -0.685 0.000 2.083 150 L HA -0.212 4.414 4.340 0.476 0.000 0.209 150 L C 2.376 179.117 176.870 -0.215 0.000 1.083 150 L CA 1.279 55.842 54.840 -0.462 0.000 0.752 150 L CB -0.273 41.651 42.059 -0.225 0.000 0.899 150 L HN 0.170 nan 8.230 nan 0.000 0.433 151 K N -0.931 119.374 120.400 -0.159 0.000 2.103 151 K HA -0.138 4.468 4.320 0.476 0.000 0.204 151 K C 1.991 178.620 176.600 0.047 0.000 1.052 151 K CA 1.044 57.313 56.287 -0.030 0.000 0.945 151 K CB -0.172 32.311 32.500 -0.029 0.000 0.722 151 K HN 0.039 nan 8.250 nan 0.000 0.443 152 F N 0.666 120.523 119.950 -0.155 0.000 2.134 152 F HA -0.232 4.581 4.527 0.475 0.000 0.299 152 F C 1.666 177.536 175.800 0.116 0.000 1.097 152 F CA 1.411 59.387 58.000 -0.040 0.000 1.264 152 F CB -0.079 38.877 39.000 -0.074 0.000 1.001 152 F HN -0.004 nan 8.300 nan 0.000 0.479 153 Y N 0.105 120.484 120.300 0.131 0.000 2.181 153 Y HA -0.013 4.821 4.550 0.473 0.000 0.288 153 Y C 2.770 178.704 175.900 0.057 0.000 1.146 153 Y CA 0.558 58.704 58.100 0.078 0.000 1.164 153 Y CB -1.737 36.811 38.460 0.145 0.000 0.982 153 Y HN 0.076 nan 8.280 nan 0.000 0.515 154 G N 0.157 109.114 108.800 0.260 0.000 2.440 154 G HA2 -0.260 3.985 3.960 0.476 0.000 0.218 154 G HA3 -0.260 3.985 3.960 0.476 0.000 0.218 154 G C 1.725 176.744 174.900 0.198 0.000 1.154 154 G CA 0.918 46.224 45.100 0.344 0.000 0.767 154 G HN 0.348 nan 8.290 nan 0.000 0.552 155 K N 0.021 120.427 120.400 0.010 0.000 2.211 155 K HA -0.021 4.585 4.320 0.476 0.000 0.203 155 K C 1.342 177.778 176.600 -0.273 0.000 1.050 155 K CA 1.122 57.323 56.287 -0.144 0.000 0.945 155 K CB -0.041 32.359 32.500 -0.167 0.000 0.732 155 K HN 0.280 nan 8.250 nan 0.000 0.451 156 N N 0.205 118.727 118.700 -0.298 0.000 2.214 156 N HA 0.071 5.097 4.740 0.476 0.000 0.214 156 N C -1.216 174.057 175.510 -0.395 0.000 1.132 156 N CA -0.082 52.716 53.050 -0.420 0.000 0.856 156 N CB 0.456 38.639 38.487 -0.507 0.000 1.020 156 N HN -0.001 nan 8.380 nan 0.000 0.509 160 T N 0.942 115.638 114.554 0.236 0.000 2.928 160 T HA 0.401 5.037 4.350 0.476 0.000 0.296 160 T C -2.253 172.540 174.700 0.156 0.000 1.000 160 T CA -0.368 61.850 62.100 0.197 0.000 0.989 160 T CB 1.670 70.664 68.868 0.210 0.000 1.005 160 T HN 0.196 nan 8.240 nan 0.000 0.442 161 Y N 4.190 124.500 120.300 0.017 0.000 2.327 161 Y HA 0.623 5.462 4.550 0.482 0.000 0.325 161 Y C -1.406 174.370 175.900 -0.206 0.000 0.999 161 Y CA -1.522 56.556 58.100 -0.037 0.000 1.195 161 Y CB 0.583 39.136 38.460 0.154 0.000 1.132 161 Y HN 0.603 nan 8.280 nan 0.000 0.455 162 I N 7.492 127.666 120.570 -0.660 0.000 2.304 162 I HA 0.155 4.611 4.170 0.476 0.000 0.291 162 I C -0.920 174.537 176.117 -1.100 0.000 1.018 162 I CA -0.882 59.969 61.300 -0.748 0.000 1.260 162 I CB 0.724 38.469 38.000 -0.425 0.000 1.390 162 I HN 0.635 nan 8.210 nan 0.000 0.475 163 Y N 5.911 125.458 120.300 -1.255 0.000 2.452 163 Y HA 0.519 5.336 4.550 0.445 0.000 0.348 163 Y C 0.697 176.064 175.900 -0.887 0.000 0.985 163 Y CA -0.204 57.290 58.100 -1.009 0.000 1.214 163 Y CB 0.928 38.976 38.460 -0.687 0.000 1.136 163 Y HN 0.625 nan 8.280 nan 0.000 0.523 164 G N 7.021 115.106 108.800 -1.192 0.000 5.072 164 G HA2 0.155 4.401 3.960 0.476 0.000 0.208 164 G HA3 0.155 4.401 3.960 0.476 0.000 0.208 164 G C -3.340 170.809 174.900 -1.251 0.000 0.804 164 G CA -0.863 43.401 45.100 -1.393 0.000 0.619 164 G HN 0.412 nan 8.290 nan 0.000 0.427 165 P HA 0.160 nan 4.420 nan 0.000 0.271 165 P C 1.014 178.011 177.300 -0.506 0.000 1.233 165 P CA -0.207 62.348 63.100 -0.907 0.000 0.764 165 P CB 1.455 32.689 31.700 -0.776 0.000 0.825 166 K N 2.027 122.125 120.400 -0.504 0.000 2.160 166 K HA -0.152 4.454 4.320 0.476 0.000 0.206 166 K C 0.468 177.012 176.600 -0.093 0.000 1.047 166 K CA 1.560 57.635 56.287 -0.353 0.000 0.930 166 K CB -0.314 31.733 32.500 -0.755 0.000 0.720 166 K HN 0.487 nan 8.250 nan 0.000 0.450 167 D N 0.875 121.235 120.400 -0.067 0.000 2.328 167 D HA -0.041 4.884 4.640 0.476 0.000 0.221 167 D C -0.056 176.289 176.300 0.074 0.000 1.072 167 D CA 0.131 54.158 54.000 0.046 0.000 0.850 167 D CB -0.051 40.805 40.800 0.094 0.000 0.922 167 D HN 0.089 nan 8.370 nan 0.000 0.516 168 D N 1.522 121.969 120.400 0.079 0.000 2.338 168 D HA 0.030 4.956 4.640 0.476 0.000 0.255 168 D C -1.380 175.029 176.300 0.182 0.000 1.237 168 D CA -1.881 52.242 54.000 0.205 0.000 0.883 168 D CB 1.677 42.662 40.800 0.309 0.000 1.087 168 D HN -0.023 nan 8.370 nan 0.000 0.485 169 P HA -0.127 nan 4.420 nan 0.000 0.223 169 P C 0.663 177.793 177.300 -0.284 0.000 1.151 169 P CA 0.793 63.802 63.100 -0.152 0.000 0.787 169 P CB 0.011 31.519 31.700 -0.320 0.000 0.788 170 Y N -1.420 118.920 120.300 0.067 0.000 2.546 170 Y HA -0.024 4.809 4.550 0.473 0.000 0.287 170 Y C 2.646 178.712 175.900 0.277 0.000 1.158 170 Y CA 0.730 58.794 58.100 -0.061 0.000 1.307 170 Y CB -0.966 37.023 38.460 -0.786 0.000 1.036 170 Y HN 0.161 nan 8.280 nan 0.000 0.532 171 H N -1.742 117.531 119.070 0.338 0.000 2.476 171 H HA 0.230 5.119 4.556 0.554 0.000 0.292 171 H C 1.243 176.671 175.328 0.165 0.000 1.019 171 H CA 0.763 56.961 56.048 0.249 0.000 1.330 171 H CB 0.347 30.171 29.762 0.103 0.000 1.451 171 H HN 0.048 nan 8.280 nan 0.000 0.535 172 S N -0.958 114.752 115.700 0.018 0.000 2.753 172 S HA 0.755 5.511 4.470 0.476 0.000 0.302 172 S C -0.657 174.085 174.600 0.236 0.000 1.104 172 S CA -0.410 57.816 58.200 0.045 0.000 0.968 172 S CB 0.671 63.923 63.200 0.087 0.000 1.278 172 S HN 0.560 nan 8.310 nan 0.000 0.549 173 A N 1.735 124.705 122.820 0.251 0.000 2.340 173 A HA 0.580 5.185 4.320 0.476 0.000 0.268 173 A C -1.711 175.915 177.584 0.070 0.000 1.100 173 A CA -1.165 51.025 52.037 0.255 0.000 0.803 173 A CB -0.079 19.052 19.000 0.219 0.000 1.043 173 A HN 0.717 nan 8.150 nan 0.000 0.488 174 P HA 0.052 nan 4.420 nan 0.000 0.257 174 P C 0.134 177.212 177.300 -0.369 0.000 1.241 174 P CA 0.372 63.369 63.100 -0.171 0.000 0.816 174 P CB 0.300 31.902 31.700 -0.163 0.000 1.150 175 N N 0.362 118.918 118.700 -0.240 0.000 2.383 175 N HA -0.024 5.001 4.740 0.476 0.000 0.192 175 N C 1.494 176.924 175.510 -0.133 0.000 1.141 175 N CA 0.068 52.953 53.050 -0.276 0.000 0.851 175 N CB -0.744 37.501 38.487 -0.405 0.000 0.976 175 N HN 0.459 nan 8.380 nan 0.000 0.465 176 W N 1.007 122.283 121.300 -0.039 0.000 2.321 176 W HA -0.173 4.479 4.660 -0.014 0.000 0.285 176 W C 0.835 177.394 176.519 0.067 0.000 1.213 176 W CA 0.300 57.674 57.345 0.048 0.000 1.205 176 W CB -0.774 28.677 29.460 -0.015 0.000 1.134 176 W HN 0.063 nan 8.180 nan 0.000 0.549 177 R N 0.151 120.305 120.500 -0.575 0.000 2.189 177 R HA -0.011 4.615 4.340 0.476 0.000 0.223 177 R C 0.417 176.629 176.300 -0.148 0.000 1.092 177 R CA 0.374 56.157 56.100 -0.527 0.000 0.989 177 R CB -0.391 29.419 30.300 -0.817 0.000 0.876 177 R HN 0.015 nan 8.270 nan 0.000 0.457 178 L N 1.887 123.082 121.223 -0.047 0.000 2.325 178 L HA 0.297 4.923 4.340 0.476 0.000 0.279 178 L C -2.110 174.817 176.870 0.095 0.000 1.054 178 L CA -2.691 52.181 54.840 0.053 0.000 0.804 178 L CB 1.030 43.178 42.059 0.149 0.000 1.200 178 L HN -0.143 nan 8.230 nan 0.000 0.436 179 P HA 0.013 nan 4.420 nan 0.000 0.269 179 P C -0.886 176.290 177.300 -0.207 0.000 1.209 179 P CA -0.126 62.954 63.100 -0.033 0.000 0.776 179 P CB 0.141 31.832 31.700 -0.015 0.000 0.876 180 Y N 2.750 122.866 120.300 -0.307 0.000 2.702 180 Y HA 0.024 4.896 4.550 0.537 0.000 0.336 180 Y C -0.953 174.691 175.900 -0.426 0.000 1.235 180 Y CA -0.667 57.075 58.100 -0.596 0.000 1.492 180 Y CB -0.918 37.324 38.460 -0.363 0.000 1.308 180 Y HN 0.384 nan 8.280 nan 0.000 0.589 181 P HA -0.016 nan 4.420 nan 0.000 0.273 181 P C 0.038 177.296 177.300 -0.069 0.000 1.250 181 P CA -0.154 62.869 63.100 -0.127 0.000 0.793 181 P CB 0.888 32.538 31.700 -0.083 0.000 1.011 182 D N 0.188 120.558 120.400 -0.050 0.000 2.123 182 D HA -0.188 4.737 4.640 0.476 0.000 0.196 182 D C 1.675 177.937 176.300 -0.063 0.000 0.992 182 D CA 1.712 55.680 54.000 -0.052 0.000 0.833 182 D CB -0.160 40.617 40.800 -0.039 0.000 0.954 182 D HN 0.432 nan 8.370 nan 0.000 0.455 183 K N 1.060 121.430 120.400 -0.051 0.000 2.062 183 K HA -0.123 4.483 4.320 0.476 0.000 0.205 183 K C 1.851 178.398 176.600 -0.088 0.000 1.051 183 K CA 1.145 57.395 56.287 -0.061 0.000 0.941 183 K CB 0.026 32.506 32.500 -0.033 0.000 0.719 183 K HN -0.139 nan 8.250 nan 0.000 0.440 184 E N 0.225 120.391 120.200 -0.057 0.000 2.106 184 E HA -0.062 4.573 4.350 0.476 0.000 0.192 184 E C 1.857 178.335 176.600 -0.203 0.000 0.984 184 E CA 1.350 57.706 56.400 -0.073 0.000 0.806 184 E CB -0.316 29.432 29.700 0.079 0.000 0.750 184 E HN 0.450 nan 8.360 nan 0.000 0.458 185 A N 0.958 123.676 122.820 -0.170 0.000 1.902 185 A HA -0.104 4.501 4.320 0.476 0.000 0.217 185 A C 2.364 179.822 177.584 -0.210 0.000 1.181 185 A CA 1.863 53.770 52.037 -0.216 0.000 0.623 185 A CB -0.853 18.072 19.000 -0.125 0.000 0.818 185 A HN 0.292 nan 8.150 nan 0.000 0.443 186 A N -0.760 121.962 122.820 -0.163 0.000 1.902 186 A HA -0.206 4.400 4.320 0.476 0.000 0.217 186 A C 2.123 179.596 177.584 -0.184 0.000 1.181 186 A CA 1.647 53.593 52.037 -0.152 0.000 0.623 186 A CB -0.583 18.345 19.000 -0.121 0.000 0.818 186 A HN 0.655 nan 8.150 nan 0.000 0.443 187 Q N -0.436 119.221 119.800 -0.239 0.000 2.061 187 Q HA -0.147 4.478 4.340 0.476 0.000 0.204 187 Q C 2.127 178.054 176.000 -0.121 0.000 0.984 187 Q CA 1.607 57.221 55.803 -0.315 0.000 0.846 187 Q CB -0.361 28.119 28.738 -0.431 0.000 0.902 187 Q HN 0.680 nan 8.270 nan 0.000 0.421 188 L N 0.379 121.461 121.223 -0.235 0.000 2.046 188 L HA -0.252 4.374 4.340 0.476 0.000 0.208 188 L C 2.697 179.338 176.870 -0.382 0.000 1.077 188 L CA 1.341 55.970 54.840 -0.352 0.000 0.747 188 L CB -0.477 41.236 42.059 -0.577 0.000 0.896 188 L HN 0.364 nan 8.230 nan 0.000 0.432 189 Q N 0.104 119.722 119.800 -0.303 0.000 2.096 189 Q HA -0.298 4.328 4.340 0.476 0.000 0.204 189 Q C 2.129 178.017 176.000 -0.186 0.000 0.982 189 Q CA 2.056 57.707 55.803 -0.254 0.000 0.850 189 Q CB 0.000 28.624 28.738 -0.190 0.000 0.901 189 Q HN 0.476 nan 8.270 nan 0.000 0.422 190 E N -0.100 120.035 120.200 -0.108 0.000 2.072 190 E HA -0.180 4.455 4.350 0.476 0.000 0.191 190 E C 2.111 178.694 176.600 -0.028 0.000 0.985 190 E CA 0.836 57.219 56.400 -0.029 0.000 0.801 190 E CB -0.070 29.673 29.700 0.072 0.000 0.750 190 E HN 0.412 nan 8.360 nan 0.000 0.452 191 L N 0.425 121.642 121.223 -0.009 0.000 2.012 191 L HA -0.218 4.408 4.340 0.476 0.000 0.210 191 L C 2.583 179.393 176.870 -0.099 0.000 1.073 191 L CA 1.015 55.844 54.840 -0.018 0.000 0.748 191 L CB -0.563 41.561 42.059 0.108 0.000 0.891 191 L HN 0.129 nan 8.230 nan 0.000 0.431 192 V N 0.144 119.848 119.914 -0.350 0.000 2.332 192 V HA -0.319 4.087 4.120 0.476 0.000 0.248 192 V C 2.785 178.796 176.094 -0.139 0.000 1.055 192 V CA 1.851 63.957 62.300 -0.323 0.000 1.038 192 V CB -0.995 30.544 31.823 -0.474 0.000 0.651 192 V HN 0.499 nan 8.190 nan 0.000 0.450 193 A N -0.116 122.625 122.820 -0.131 0.000 1.865 193 A HA -0.178 4.427 4.320 0.476 0.000 0.217 193 A C 2.403 179.938 177.584 -0.082 0.000 1.191 193 A CA 2.256 54.239 52.037 -0.091 0.000 0.623 193 A CB -0.795 18.158 19.000 -0.078 0.000 0.826 193 A HN 0.335 nan 8.150 nan 0.000 0.444 194 V N -0.082 119.789 119.914 -0.071 0.000 2.343 194 V HA -0.254 4.152 4.120 0.476 0.000 0.247 194 V C 3.061 179.116 176.094 -0.064 0.000 1.051 194 V CA 1.939 64.195 62.300 -0.074 0.000 1.036 194 V CB -1.350 30.431 31.823 -0.070 0.000 0.654 194 V HN 0.639 nan 8.190 nan 0.000 0.451 195 A N 0.593 123.413 122.820 0.001 0.000 1.883 195 A HA -0.275 4.331 4.320 0.476 0.000 0.217 195 A C 2.080 179.658 177.584 -0.010 0.000 1.186 195 A CA 2.280 54.356 52.037 0.066 0.000 0.624 195 A CB -0.771 18.376 19.000 0.246 0.000 0.822 195 A HN 0.588 nan 8.150 nan 0.000 0.444 196 N N 0.031 118.706 118.700 -0.041 0.000 2.104 196 N HA -0.157 4.869 4.740 0.476 0.000 0.190 196 N C 1.584 176.929 175.510 -0.275 0.000 1.024 196 N CA 1.655 54.662 53.050 -0.072 0.000 0.853 196 N CB -0.522 37.946 38.487 -0.032 0.000 1.008 196 N HN 0.687 nan 8.380 nan 0.000 0.424 197 E N 0.199 120.166 120.200 -0.390 0.000 2.209 197 E HA -0.035 4.601 4.350 0.476 0.000 0.196 197 E C 0.515 176.715 176.600 -0.668 0.000 0.993 197 E CA 0.628 56.575 56.400 -0.754 0.000 0.819 197 E CB -0.012 29.473 29.700 -0.359 0.000 0.745 197 E HN 0.371 nan 8.360 nan 0.000 0.477 198 N N 0.649 119.126 118.700 -0.372 0.000 2.251 198 N HA -0.016 5.010 4.740 0.476 0.000 0.217 198 N C -0.608 174.710 175.510 -0.321 0.000 1.124 198 N CA 0.194 53.090 53.050 -0.257 0.000 0.843 198 N CB 0.861 39.338 38.487 -0.017 0.000 1.024 198 N HN 0.013 nan 8.380 nan 0.000 0.501 199 E N -0.164 119.798 120.200 -0.396 0.000 2.586 199 E HA -0.146 4.489 4.350 0.476 0.000 0.259 199 E C -0.711 175.914 176.600 0.042 0.000 1.107 199 E CA 0.404 56.668 56.400 -0.227 0.000 0.754 199 E CB -1.795 27.638 29.700 -0.446 0.000 1.335 199 E HN 0.080 nan 8.360 nan 0.000 0.411 200 V N 1.385 121.356 119.914 0.094 0.000 2.398 200 V HA 0.163 4.569 4.120 0.476 0.000 0.286 200 V C 0.487 176.704 176.094 0.204 0.000 1.026 200 V CA -0.706 61.720 62.300 0.211 0.000 0.868 200 V CB 1.752 33.745 31.823 0.284 0.000 0.982 200 V HN -0.029 nan 8.190 nan 0.000 0.443 201 D N 4.063 124.592 120.400 0.215 0.000 2.363 201 D HA 0.100 5.026 4.640 0.476 0.000 0.263 201 D C -0.296 176.135 176.300 0.220 0.000 1.258 201 D CA 0.293 54.407 54.000 0.190 0.000 0.907 201 D CB 0.557 41.456 40.800 0.166 0.000 1.107 201 D HN 0.433 nan 8.370 nan 0.000 0.495 202 F N 3.235 123.240 119.950 0.092 0.000 2.444 202 F HA 0.171 4.977 4.527 0.465 0.000 0.360 202 F C -0.235 175.538 175.800 -0.046 0.000 1.106 202 F CA -0.471 57.592 58.000 0.106 0.000 1.170 202 F CB 0.548 39.602 39.000 0.090 0.000 1.113 202 F HN -0.004 nan 8.300 nan 0.000 0.521 203 V N 7.347 127.122 119.914 -0.232 0.000 2.328 203 V HA 0.056 4.462 4.120 0.476 0.000 0.278 203 V C -0.757 175.164 176.094 -0.289 0.000 1.021 203 V CA -0.797 61.362 62.300 -0.235 0.000 0.838 203 V CB 0.681 32.358 31.823 -0.243 0.000 0.999 203 V HN 0.772 nan 8.190 nan 0.000 0.447 204 W N 5.441 126.563 121.300 -0.297 0.000 2.335 204 W HA 0.657 5.551 4.660 0.390 0.000 0.306 204 W C 0.253 176.690 176.519 -0.136 0.000 1.216 204 W CA -0.290 56.978 57.345 -0.129 0.000 1.237 204 W CB 0.964 30.430 29.460 0.010 0.000 1.243 204 W HN 0.654 nan 8.180 nan 0.000 0.493 205 A N 7.162 129.458 122.820 -0.874 0.000 2.306 205 A HA 0.763 5.368 4.320 0.476 0.000 0.330 205 A C -1.433 175.554 177.584 -0.996 0.000 1.146 205 A CA -0.788 50.697 52.037 -0.919 0.000 0.827 205 A CB 1.069 19.249 19.000 -1.367 0.000 1.178 205 A HN 0.759 nan 8.150 nan 0.000 0.490 206 I N 0.268 120.473 120.570 -0.608 0.000 2.785 206 I HA 0.406 4.861 4.170 0.476 0.000 0.302 206 I C -0.677 175.085 176.117 -0.592 0.000 1.069 206 I CA -0.516 60.474 61.300 -0.517 0.000 1.045 206 I CB 1.839 39.757 38.000 -0.137 0.000 1.236 206 I HN 0.816 nan 8.210 nan 0.000 0.429 207 H N 7.533 126.091 119.070 -0.853 0.000 2.380 207 H HA 0.386 5.199 4.556 0.429 0.000 0.231 207 H C -2.396 172.542 175.328 -0.650 0.000 1.415 207 H CA -1.624 54.011 56.048 -0.689 0.000 1.433 207 H CB 1.291 30.628 29.762 -0.708 0.000 1.544 207 H HN 0.398 nan 8.280 nan 0.000 0.503 208 P HA 0.126 nan 4.420 nan 0.000 0.261 208 P C 1.440 178.361 177.300 -0.632 0.000 1.268 208 P CA 0.418 62.694 63.100 -1.372 0.000 0.833 208 P CB 0.373 30.874 31.700 -1.998 0.000 1.231 209 G N 0.816 109.310 108.800 -0.511 0.000 2.471 209 G HA2 -0.237 4.009 3.960 0.476 0.000 0.219 209 G HA3 -0.237 4.009 3.960 0.476 0.000 0.219 209 G C 1.625 176.464 174.900 -0.102 0.000 1.125 209 G CA 0.430 45.438 45.100 -0.153 0.000 0.775 209 G HN 0.248 nan 8.290 nan 0.000 0.548 210 Q N 1.263 120.993 119.800 -0.118 0.000 2.172 210 Q HA -0.044 4.582 4.340 0.476 0.000 0.200 210 Q C 1.325 177.322 176.000 -0.006 0.000 0.964 210 Q CA 1.795 57.583 55.803 -0.026 0.000 0.855 210 Q CB 0.065 28.812 28.738 0.014 0.000 0.918 210 Q HN 0.580 nan 8.270 nan 0.000 0.444 211 D N -1.913 118.500 120.400 0.022 0.000 2.556 211 D HA 0.054 4.980 4.640 0.476 0.000 0.237 211 D C 0.036 176.351 176.300 0.026 0.000 1.296 211 D CA -0.414 53.605 54.000 0.031 0.000 0.807 211 D CB -0.708 40.130 40.800 0.063 0.000 1.084 211 D HN 0.308 nan 8.370 nan 0.000 0.510 212 I N 1.072 121.605 120.570 -0.062 0.000 2.683 212 I HA 0.019 4.474 4.170 0.476 0.000 0.286 212 I C -0.348 175.529 176.117 -0.399 0.000 1.175 212 I CA 0.083 61.264 61.300 -0.199 0.000 1.429 212 I CB 0.374 38.064 38.000 -0.518 0.000 1.371 212 I HN -0.256 nan 8.210 nan 0.000 0.569 213 K N 6.646 126.891 120.400 -0.259 0.000 2.156 213 K HA 0.216 4.822 4.320 0.476 0.000 0.271 213 K C -1.213 175.234 176.600 -0.256 0.000 0.995 213 K CA 0.026 56.165 56.287 -0.246 0.000 0.890 213 K CB 0.723 33.176 32.500 -0.079 0.000 1.073 213 K HN 0.470 nan 8.250 nan 0.000 0.454 214 W N 4.305 125.616 121.300 0.018 0.000 1.395 214 W HA 0.081 5.037 4.660 0.494 0.000 0.451 214 W C 0.158 176.664 176.519 -0.022 0.000 0.619 214 W CA -0.571 56.768 57.345 -0.009 0.000 2.212 214 W CB -0.450 28.997 29.460 -0.022 0.000 1.537 214 W HN 0.569 nan 8.180 nan 0.000 0.275 215 N N -0.801 117.981 118.700 0.137 0.000 2.761 215 N HA 0.267 5.293 4.740 0.476 0.000 0.283 215 N C 0.755 176.284 175.510 0.032 0.000 1.377 215 N CA -1.056 52.037 53.050 0.071 0.000 0.791 215 N CB 0.820 39.331 38.487 0.041 0.000 1.540 215 N HN 0.001 nan 8.380 nan 0.000 0.539 216 K N -0.156 120.247 120.400 0.004 0.000 2.057 216 K HA -0.165 4.440 4.320 0.476 0.000 0.207 216 K C 1.377 177.975 176.600 -0.003 0.000 1.049 216 K CA 1.440 57.717 56.287 -0.018 0.000 0.931 216 K CB -0.122 32.368 32.500 -0.016 0.000 0.714 216 K HN 0.699 nan 8.250 nan 0.000 0.440 217 E N 0.346 120.548 120.200 0.003 0.000 2.070 217 E HA -0.241 4.395 4.350 0.476 0.000 0.197 217 E C 1.321 177.932 176.600 0.017 0.000 1.004 217 E CA 1.915 58.315 56.400 0.001 0.000 0.805 217 E CB 0.002 29.695 29.700 -0.012 0.000 0.744 217 E HN 0.309 nan 8.360 nan 0.000 0.451 218 D N -0.534 119.891 120.400 0.042 0.000 2.194 218 D HA -0.086 4.839 4.640 0.476 0.000 0.204 218 D C 1.946 178.339 176.300 0.154 0.000 0.964 218 D CA 0.557 54.636 54.000 0.132 0.000 0.846 218 D CB -0.156 40.739 40.800 0.158 0.000 0.962 218 D HN 0.137 nan 8.370 nan 0.000 0.490 219 R N 0.740 121.278 120.500 0.063 0.000 2.073 219 R HA -0.133 4.493 4.340 0.476 0.000 0.234 219 R C 1.180 177.500 176.300 0.032 0.000 1.134 219 R CA 1.595 57.704 56.100 0.015 0.000 0.952 219 R CB 0.041 30.283 30.300 -0.097 0.000 0.850 219 R HN -0.002 nan 8.270 nan 0.000 0.433 220 D N 0.568 120.988 120.400 0.033 0.000 2.144 220 D HA -0.145 4.780 4.640 0.476 0.000 0.199 220 D C 1.863 178.189 176.300 0.043 0.000 0.984 220 D CA 0.722 54.749 54.000 0.045 0.000 0.834 220 D CB -0.138 40.682 40.800 0.034 0.000 0.955 220 D HN 0.160 nan 8.370 nan 0.000 0.465 221 L N 0.631 121.890 121.223 0.060 0.000 2.083 221 L HA -0.075 4.551 4.340 0.476 0.000 0.209 221 L C 2.367 179.324 176.870 0.146 0.000 1.083 221 L CA 1.021 55.901 54.840 0.066 0.000 0.752 221 L CB -1.097 40.961 42.059 -0.002 0.000 0.899 221 L HN 0.097 nan 8.230 nan 0.000 0.433 222 L N -1.608 119.728 121.223 0.189 0.000 2.027 222 L HA -0.209 4.416 4.340 0.476 0.000 0.206 222 L C 2.347 179.072 176.870 -0.242 0.000 1.074 222 L CA 1.001 55.847 54.840 0.011 0.000 0.745 222 L CB -0.164 41.781 42.059 -0.190 0.000 0.898 222 L HN 0.149 nan 8.230 nan 0.000 0.433 223 L N -0.163 120.950 121.223 -0.185 0.000 2.083 223 L HA -0.188 4.438 4.340 0.476 0.000 0.209 223 L C 2.861 179.644 176.870 -0.145 0.000 1.083 223 L CA 1.947 56.647 54.840 -0.233 0.000 0.752 223 L CB -1.838 40.175 42.059 -0.077 0.000 0.899 223 L HN 0.397 nan 8.230 nan 0.000 0.433 224 A N -0.084 122.714 122.820 -0.036 0.000 1.908 224 A HA -0.268 4.337 4.320 0.476 0.000 0.218 224 A C 2.385 179.994 177.584 0.042 0.000 1.181 224 A CA 2.054 54.096 52.037 0.009 0.000 0.627 224 A CB -0.396 18.618 19.000 0.023 0.000 0.818 224 A HN 0.295 nan 8.150 nan 0.000 0.445 225 K N -0.994 119.452 120.400 0.077 0.000 2.057 225 K HA -0.078 4.528 4.320 0.476 0.000 0.207 225 K C 1.542 178.283 176.600 0.235 0.000 1.049 225 K CA 1.421 57.801 56.287 0.156 0.000 0.931 225 K CB -0.542 32.124 32.500 0.276 0.000 0.714 225 K HN 0.301 nan 8.250 nan 0.000 0.440 226 F N 1.492 121.403 119.950 -0.065 0.000 2.134 226 F HA -0.086 4.715 4.527 0.457 0.000 0.299 226 F C 2.294 178.046 175.800 -0.080 0.000 1.097 226 F CA 1.470 59.359 58.000 -0.185 0.000 1.264 226 F CB -1.068 37.423 39.000 -0.848 0.000 1.001 226 F HN 0.240 nan 8.300 nan 0.000 0.479 227 E N 0.815 121.053 120.200 0.063 0.000 2.085 227 E HA -0.160 4.476 4.350 0.476 0.000 0.194 227 E C 1.159 177.904 176.600 0.241 0.000 0.994 227 E CA 1.038 57.565 56.400 0.211 0.000 0.801 227 E CB -0.135 29.637 29.700 0.121 0.000 0.743 227 E HN -0.019 nan 8.360 nan 0.000 0.453 231 Q N 1.099 121.031 119.800 0.220 0.000 2.226 231 Q HA -0.062 4.564 4.340 0.476 0.000 0.204 231 Q C 1.469 177.442 176.000 -0.046 0.000 0.975 231 Q CA 2.012 57.866 55.803 0.085 0.000 0.866 231 Q CB 0.027 28.824 28.738 0.098 0.000 0.915 231 Q HN 0.542 nan 8.270 nan 0.000 0.440 232 L N -1.257 119.910 121.223 -0.093 0.000 2.554 232 L HA 0.094 4.719 4.340 0.476 0.000 0.226 232 L C 1.186 177.919 176.870 -0.228 0.000 1.137 232 L CA 0.550 55.286 54.840 -0.174 0.000 0.863 232 L CB 0.047 41.965 42.059 -0.235 0.000 0.985 232 L HN 0.446 nan 8.230 nan 0.000 0.451 233 G N -0.624 108.029 108.800 -0.245 0.000 2.184 233 G HA2 -0.220 4.026 3.960 0.476 0.000 0.206 233 G HA3 -0.220 4.026 3.960 0.476 0.000 0.206 233 G C 0.219 174.940 174.900 -0.298 0.000 0.995 233 G CA -0.191 44.739 45.100 -0.285 0.000 0.651 233 G HN 0.032 nan 8.290 nan 0.000 0.511 234 V N 1.765 121.514 119.914 -0.274 0.000 2.585 234 V HA 0.369 4.774 4.120 0.476 0.000 0.296 234 V C 1.375 177.354 176.094 -0.191 0.000 1.035 234 V CA 0.318 62.468 62.300 -0.250 0.000 1.084 234 V CB 1.290 32.944 31.823 -0.283 0.000 0.953 234 V HN 0.343 nan 8.190 nan 0.000 0.483 235 R N 1.851 122.250 120.500 -0.168 0.000 2.509 235 R HA 0.299 4.925 4.340 0.476 0.000 0.297 235 R C -0.109 176.202 176.300 0.018 0.000 0.951 235 R CA -0.010 56.098 56.100 0.013 0.000 1.103 235 R CB 0.947 31.253 30.300 0.009 0.000 1.283 235 R HN 0.652 nan 8.270 nan 0.000 0.534 236 S N 0.247 115.790 115.700 -0.261 0.000 2.570 236 S HA 0.749 5.505 4.470 0.476 0.000 0.286 236 S C -0.976 173.255 174.600 -0.615 0.000 1.099 236 S CA -0.471 57.622 58.200 -0.179 0.000 0.913 236 S CB 1.858 65.019 63.200 -0.065 0.000 1.085 236 S HN 0.021 nan 8.310 nan 0.000 0.480 237 F N 0.404 120.333 119.950 -0.035 0.000 2.601 237 F HA 0.787 5.590 4.527 0.461 0.000 0.309 237 F C 0.035 175.770 175.800 -0.109 0.000 1.089 237 F CA -0.675 57.228 58.000 -0.162 0.000 0.940 237 F CB 1.918 40.668 39.000 -0.416 0.000 1.273 237 F HN 0.767 nan 8.300 nan 0.000 0.450 238 A N 1.104 123.937 122.820 0.022 0.000 2.498 238 A HA 0.918 5.523 4.320 0.476 0.000 0.298 238 A C -1.958 175.614 177.584 -0.020 0.000 1.075 238 A CA -0.809 51.212 52.037 -0.027 0.000 0.714 238 A CB 1.798 20.668 19.000 -0.217 0.000 1.299 238 A HN 0.528 nan 8.150 nan 0.000 0.407 239 V N 1.725 121.658 119.914 0.032 0.000 2.483 239 V HA 0.533 4.938 4.120 0.476 0.000 0.297 239 V C -1.419 174.663 176.094 -0.020 0.000 1.027 239 V CA -0.429 61.804 62.300 -0.111 0.000 0.855 239 V CB 1.111 32.900 31.823 -0.056 0.000 0.995 239 V HN 0.663 nan 8.190 nan 0.000 0.424 240 F N 4.371 124.118 119.950 -0.339 0.000 2.427 240 F HA 0.617 5.437 4.527 0.489 0.000 0.346 240 F C 0.132 175.644 175.800 -0.481 0.000 1.120 240 F CA -1.728 56.154 58.000 -0.197 0.000 1.033 240 F CB 1.456 40.498 39.000 0.069 0.000 1.126 240 F HN 0.395 nan 8.300 nan 0.000 0.462 241 F N 1.090 121.159 119.950 0.200 0.000 2.855 241 F HA 0.159 4.991 4.527 0.509 0.000 0.317 241 F C 0.344 176.206 175.800 0.103 0.000 1.169 241 F CA -0.943 57.105 58.000 0.079 0.000 1.299 241 F CB -0.069 39.025 39.000 0.156 0.000 0.962 241 F HN 0.253 nan 8.300 nan 0.000 0.506 242 D N -1.091 119.432 120.400 0.206 0.000 2.255 242 D HA 0.115 5.041 4.640 0.476 0.000 0.249 242 D C -0.002 176.485 176.300 0.312 0.000 1.078 242 D CA -0.196 53.895 54.000 0.152 0.000 0.896 242 D CB 1.151 41.670 40.800 -0.470 0.000 1.194 242 D HN 0.014 nan 8.370 nan 0.000 0.429 243 D N -0.128 120.526 120.400 0.424 0.000 2.699 243 D HA -0.150 4.776 4.640 0.476 0.000 0.239 243 D C -0.080 176.392 176.300 0.287 0.000 1.136 243 D CA 0.702 54.949 54.000 0.411 0.000 0.668 243 D CB -1.483 39.555 40.800 0.396 0.000 1.060 243 D HN 0.654 nan 8.370 nan 0.000 0.429 244 I N -3.658 117.036 120.570 0.206 0.000 3.108 244 I HA 0.788 5.244 4.170 0.476 0.000 0.312 244 I C 0.040 176.200 176.117 0.072 0.000 1.095 244 I CA -0.895 60.474 61.300 0.116 0.000 1.000 244 I CB 2.557 40.598 38.000 0.068 0.000 1.229 244 I HN -0.013 nan 8.210 nan 0.000 0.454 245 S N 1.242 116.969 115.700 0.046 0.000 2.595 245 S HA 1.002 5.757 4.470 0.476 0.000 0.281 245 S C -0.103 174.515 174.600 0.031 0.000 1.117 245 S CA -0.084 58.128 58.200 0.021 0.000 0.873 245 S CB 1.428 64.626 63.200 -0.003 0.000 1.108 245 S HN 2.188 nan 8.310 nan 0.000 0.477 246 G N 1.405 110.223 108.800 0.031 0.000 2.451 246 G HA2 -0.112 4.134 3.960 0.476 0.000 0.208 246 G HA3 -0.112 4.134 3.960 0.476 0.000 0.208 246 G C 0.101 175.049 174.900 0.080 0.000 1.248 246 G CA 0.142 45.266 45.100 0.040 0.000 0.989 246 G HN 0.652 nan 8.290 nan 0.000 0.559 247 E N 0.926 121.181 120.200 0.092 0.000 2.274 247 E HA 0.014 4.650 4.350 0.476 0.000 0.194 247 E C 2.603 179.413 176.600 0.350 0.000 0.996 247 E CA 1.419 57.937 56.400 0.196 0.000 0.840 247 E CB -0.729 29.079 29.700 0.180 0.000 0.772 247 E HN 0.817 nan 8.360 nan 0.000 0.491 248 G N 0.987 109.886 108.800 0.165 0.000 2.535 248 G HA2 -0.231 4.015 3.960 0.476 0.000 0.218 248 G HA3 -0.231 4.015 3.960 0.476 0.000 0.218 248 G C 1.563 176.659 174.900 0.327 0.000 1.122 248 G CA 1.476 46.715 45.100 0.232 0.000 0.769 248 G HN 0.373 nan 8.290 nan 0.000 0.549 249 T N -1.972 112.723 114.554 0.235 0.000 3.129 249 T HA 0.088 4.724 4.350 0.476 0.000 0.251 249 T C 1.010 175.830 174.700 0.200 0.000 1.117 249 T CA -0.349 61.861 62.100 0.184 0.000 1.034 249 T CB -0.088 68.845 68.868 0.108 0.000 0.968 249 T HN 0.108 nan 8.240 nan 0.000 0.526 250 N N 3.554 122.353 118.700 0.164 0.000 2.427 250 N HA 0.095 5.121 4.740 0.476 0.000 0.269 250 N C -1.401 173.996 175.510 -0.188 0.000 1.235 250 N CA -1.914 51.131 53.050 -0.010 0.000 0.934 250 N CB 1.557 39.981 38.487 -0.105 0.000 1.121 250 N HN 0.152 nan 8.380 nan 0.000 0.480 251 P HA -0.160 nan 4.420 nan 0.000 0.219 251 P C 1.103 178.167 177.300 -0.393 0.000 1.150 251 P CA 1.017 63.867 63.100 -0.417 0.000 0.814 251 P CB 0.426 31.735 31.700 -0.652 0.000 0.787 252 Q N 0.322 119.918 119.800 -0.340 0.000 2.079 252 Q HA -0.142 4.484 4.340 0.476 0.000 0.200 252 Q C 2.002 177.750 176.000 -0.419 0.000 0.974 252 Q CA 1.348 56.961 55.803 -0.316 0.000 0.840 252 Q CB -0.106 28.479 28.738 -0.255 0.000 0.898 252 Q HN 0.053 nan 8.270 nan 0.000 0.430 253 K N 0.465 120.475 120.400 -0.650 0.000 2.103 253 K HA -0.116 4.490 4.320 0.476 0.000 0.204 253 K C 2.103 178.151 176.600 -0.921 0.000 1.052 253 K CA 1.120 56.775 56.287 -1.055 0.000 0.945 253 K CB -0.152 31.069 32.500 -2.132 0.000 0.722 253 K HN 0.390 nan 8.250 nan 0.000 0.443 254 Q N 0.312 119.673 119.800 -0.731 0.000 2.030 254 Q HA -0.124 4.502 4.340 0.476 0.000 0.204 254 Q C 2.193 178.063 176.000 -0.216 0.000 0.986 254 Q CA 1.746 57.264 55.803 -0.477 0.000 0.843 254 Q CB -0.280 28.063 28.738 -0.659 0.000 0.904 254 Q HN 0.325 nan 8.270 nan 0.000 0.420 255 A N 1.197 123.878 122.820 -0.231 0.000 1.908 255 A HA -0.263 4.343 4.320 0.476 0.000 0.218 255 A C 1.844 179.385 177.584 -0.072 0.000 1.181 255 A CA 1.757 53.721 52.037 -0.122 0.000 0.627 255 A CB -0.502 18.410 19.000 -0.148 0.000 0.818 255 A HN 0.364 nan 8.150 nan 0.000 0.445 256 E N -0.880 119.241 120.200 -0.132 0.000 2.077 256 E HA -0.178 4.458 4.350 0.476 0.000 0.193 256 E C 1.958 178.570 176.600 0.019 0.000 0.989 256 E CA 1.200 57.555 56.400 -0.074 0.000 0.800 256 E CB -0.245 29.366 29.700 -0.148 0.000 0.746 256 E HN 0.528 nan 8.360 nan 0.000 0.452 257 L N 0.858 122.093 121.223 0.019 0.000 2.017 257 L HA -0.182 4.444 4.340 0.476 0.000 0.208 257 L C 2.014 179.008 176.870 0.206 0.000 1.073 257 L CA 1.536 56.469 54.840 0.155 0.000 0.745 257 L CB -0.346 41.879 42.059 0.276 0.000 0.894 257 L HN 0.148 nan 8.230 nan 0.000 0.432 258 L N -0.087 121.246 121.223 0.184 0.000 2.046 258 L HA -0.194 4.431 4.340 0.476 0.000 0.208 258 L C 2.362 179.333 176.870 0.168 0.000 1.077 258 L CA 1.506 56.464 54.840 0.197 0.000 0.747 258 L CB -1.687 40.487 42.059 0.193 0.000 0.896 258 L HN 0.424 nan 8.230 nan 0.000 0.432 259 N N -0.716 118.062 118.700 0.130 0.000 2.166 259 N HA -0.240 4.785 4.740 0.476 0.000 0.186 259 N C 1.776 177.373 175.510 0.145 0.000 1.019 259 N CA 1.065 54.182 53.050 0.112 0.000 0.856 259 N CB -0.477 38.054 38.487 0.073 0.000 0.993 259 N HN 0.345 nan 8.380 nan 0.000 0.426 260 Y N 1.434 121.766 120.300 0.052 0.000 2.163 260 Y HA -0.045 4.788 4.550 0.472 0.000 0.288 260 Y C 2.144 178.092 175.900 0.081 0.000 1.136 260 Y CA 1.292 59.424 58.100 0.053 0.000 1.147 260 Y CB -0.353 38.131 38.460 0.040 0.000 0.987 260 Y HN -0.041 nan 8.280 nan 0.000 0.509 261 I N 0.182 120.863 120.570 0.185 0.000 2.208 261 I HA -0.330 4.125 4.170 0.476 0.000 0.245 261 I C 2.200 178.413 176.117 0.159 0.000 1.097 261 I CA 1.915 63.306 61.300 0.152 0.000 1.363 261 I CB -0.504 37.641 38.000 0.241 0.000 1.051 261 I HN 0.266 nan 8.210 nan 0.000 0.413 262 D N 0.875 121.358 120.400 0.139 0.000 2.104 262 D HA -0.212 4.714 4.640 0.476 0.000 0.194 262 D C 2.085 178.408 176.300 0.039 0.000 0.994 262 D CA 1.661 55.726 54.000 0.108 0.000 0.830 262 D CB 0.061 40.921 40.800 0.100 0.000 0.959 262 D HN 0.339 nan 8.370 nan 0.000 0.452 263 E N -1.020 119.175 120.200 -0.009 0.000 2.158 263 E HA -0.043 4.592 4.350 0.476 0.000 0.191 263 E C 1.578 178.112 176.600 -0.109 0.000 0.982 263 E CA 0.644 57.015 56.400 -0.048 0.000 0.823 263 E CB 0.222 29.902 29.700 -0.034 0.000 0.766 263 E HN -0.007 nan 8.360 nan 0.000 0.468 264 K N -1.070 119.200 120.400 -0.216 0.000 2.367 264 K HA 0.145 4.750 4.320 0.476 0.000 0.194 264 K C 0.427 176.999 176.600 -0.046 0.000 1.027 264 K CA 0.196 56.336 56.287 -0.246 0.000 1.075 264 K CB 0.374 32.492 32.500 -0.637 0.000 0.845 264 K HN 0.066 nan 8.250 nan 0.000 0.529 265 F N -1.396 118.450 119.950 -0.173 0.000 1.832 265 F HA 0.292 5.113 4.527 0.489 0.000 0.236 265 F C 1.606 177.346 175.800 -0.099 0.000 1.180 265 F CA 0.478 58.392 58.000 -0.145 0.000 1.297 265 F CB -0.441 38.485 39.000 -0.124 0.000 1.748 265 F HN -0.169 nan 8.300 nan 0.000 0.453 266 A N 0.354 123.166 122.820 -0.012 0.000 1.917 266 A HA -0.174 4.432 4.320 0.476 0.000 0.219 266 A C 1.663 179.202 177.584 -0.075 0.000 1.182 266 A CA 1.937 53.935 52.037 -0.065 0.000 0.633 266 A CB -0.685 18.378 19.000 0.105 0.000 0.819 266 A HN 0.590 nan 8.150 nan 0.000 0.448 267 Q N -0.819 118.955 119.800 -0.044 0.000 2.360 267 Q HA 0.183 4.809 4.340 0.476 0.000 0.202 267 Q C 1.497 177.458 176.000 -0.064 0.000 0.915 267 Q CA 0.447 56.228 55.803 -0.036 0.000 0.943 267 Q CB 0.388 29.119 28.738 -0.011 0.000 1.064 267 Q HN 0.515 nan 8.270 nan 0.000 0.511 268 V N -0.205 119.641 119.914 -0.113 0.000 3.212 268 V HA 0.041 4.447 4.120 0.476 0.000 0.244 268 V C 0.802 176.803 176.094 -0.155 0.000 1.151 268 V CA 0.524 62.754 62.300 -0.116 0.000 1.119 268 V CB 0.308 32.066 31.823 -0.109 0.000 0.838 268 V HN 0.076 nan 8.190 nan 0.000 0.470 269 K N 1.594 121.840 120.400 -0.256 0.000 2.219 269 K HA 0.205 4.811 4.320 0.476 0.000 0.258 269 K C -1.352 175.189 176.600 -0.098 0.000 1.008 269 K CA -1.647 54.484 56.287 -0.261 0.000 0.928 269 K CB 0.312 32.528 32.500 -0.473 0.000 0.983 269 K HN 0.047 nan 8.250 nan 0.000 0.484 270 P HA -0.107 nan 4.420 nan 0.000 0.223 270 P C -0.129 177.193 177.300 0.037 0.000 1.151 270 P CA 1.301 64.410 63.100 0.016 0.000 0.787 270 P CB 0.289 32.014 31.700 0.042 0.000 0.788 271 D N -1.941 118.502 120.400 0.072 0.000 2.996 271 D HA 0.141 5.067 4.640 0.476 0.000 0.343 271 D C -0.099 176.266 176.300 0.109 0.000 1.574 271 D CA -0.426 53.623 54.000 0.082 0.000 0.773 271 D CB -1.047 39.799 40.800 0.078 0.000 1.241 271 D HN 0.127 nan 8.370 nan 0.000 0.469 272 I N 0.845 121.474 120.570 0.099 0.000 2.428 272 I HA 0.229 4.684 4.170 0.476 0.000 0.289 272 I C 0.774 176.964 176.117 0.122 0.000 1.019 272 I CA -0.242 61.139 61.300 0.135 0.000 1.351 272 I CB 1.037 39.090 38.000 0.089 0.000 1.412 272 I HN -0.041 nan 8.210 nan 0.000 0.513 273 N N 3.662 122.446 118.700 0.141 0.000 2.269 273 N HA 0.119 5.145 4.740 0.476 0.000 0.236 273 N C -0.525 175.066 175.510 0.136 0.000 1.101 273 N CA -0.444 52.688 53.050 0.137 0.000 1.155 273 N CB 0.014 38.582 38.487 0.134 0.000 1.526 273 N HN 0.543 nan 8.380 nan 0.000 0.582 274 Q N 0.608 120.463 119.800 0.092 0.000 2.293 274 Q HA 0.439 5.065 4.340 0.476 0.000 0.251 274 Q C -1.333 174.721 176.000 0.091 0.000 0.930 274 Q CA -0.275 55.542 55.803 0.024 0.000 0.893 274 Q CB 1.751 30.403 28.738 -0.144 0.000 1.215 274 Q HN 0.222 nan 8.270 nan 0.000 0.425 275 L N 2.894 124.171 121.223 0.090 0.000 2.404 275 L HA 0.507 5.133 4.340 0.476 0.000 0.272 275 L C -1.397 175.516 176.870 0.072 0.000 0.980 275 L CA -0.462 54.462 54.840 0.140 0.000 0.836 275 L CB 1.725 43.899 42.059 0.192 0.000 1.238 275 L HN 0.483 nan 8.230 nan 0.000 0.408 279 P HA 0.292 nan 4.420 nan 0.000 0.274 279 P C 0.673 178.223 177.300 0.416 0.000 1.246 279 P CA 0.268 63.659 63.100 0.484 0.000 0.795 279 P CB 0.813 32.853 31.700 0.566 0.000 1.006 280 T N -0.583 114.165 114.554 0.322 0.000 2.777 280 T HA -0.086 4.549 4.350 0.476 0.000 0.266 280 T C 0.537 175.245 174.700 0.013 0.000 1.040 280 T CA 1.347 63.531 62.100 0.139 0.000 1.141 280 T CB -0.335 68.504 68.868 -0.049 0.000 0.868 280 T HN 0.501 nan 8.240 nan 0.000 0.444 281 E N 1.557 121.590 120.200 -0.279 0.000 1.861 281 E HA 0.130 4.766 4.350 0.476 0.000 0.263 281 E C -0.309 176.410 176.600 0.198 0.000 1.137 281 E CA -0.276 56.062 56.400 -0.104 0.000 0.944 281 E CB 0.230 29.844 29.700 -0.143 0.000 1.092 281 E HN 0.709 nan 8.360 nan 0.000 0.420 282 Y N 1.511 121.793 120.300 -0.030 0.000 2.481 282 Y HA 0.273 5.111 4.550 0.480 0.000 0.247 282 Y C -0.210 175.125 175.900 -0.941 0.000 1.151 282 Y CA -1.016 56.953 58.100 -0.217 0.000 1.238 282 Y CB -0.043 38.224 38.460 -0.320 0.000 1.179 282 Y HN 0.248 nan 8.280 nan 0.000 0.524 283 N N -1.663 116.345 118.700 -1.153 0.000 2.708 283 N HA 0.182 5.208 4.740 0.476 0.000 0.257 283 N C -0.011 175.075 175.510 -0.706 0.000 1.373 283 N CA -1.056 51.099 53.050 -1.492 0.000 0.843 283 N CB 1.505 39.371 38.487 -1.034 0.000 1.503 283 N HN -0.048 nan 8.380 nan 0.000 0.504 284 K N 0.024 120.172 120.400 -0.421 0.000 2.032 284 K HA -0.186 4.419 4.320 0.476 0.000 0.209 284 K C 1.546 178.038 176.600 -0.180 0.000 1.048 284 K CA 2.223 58.376 56.287 -0.222 0.000 0.927 284 K CB -0.312 31.919 32.500 -0.448 0.000 0.712 284 K HN 0.678 nan 8.250 nan 0.000 0.441 285 S N -0.825 114.773 115.700 -0.170 0.000 2.442 285 S HA -0.145 4.611 4.470 0.476 0.000 0.236 285 S C 1.301 175.976 174.600 0.124 0.000 1.007 285 S CA 0.718 58.899 58.200 -0.032 0.000 0.965 285 S CB -0.348 62.844 63.200 -0.013 0.000 0.773 285 S HN 0.449 nan 8.310 nan 0.000 0.504 286 W N 2.518 123.642 121.300 -0.292 0.000 3.278 286 W HA 0.529 5.471 4.660 0.470 0.000 0.308 286 W C 0.332 176.730 176.519 -0.202 0.000 1.253 286 W CA -1.266 55.898 57.345 -0.303 0.000 1.759 286 W CB -0.659 28.481 29.460 -0.533 0.000 1.093 286 W HN 0.152 nan 8.180 nan 0.000 0.648 287 S N 0.929 116.692 115.700 0.106 0.000 2.654 287 S HA 0.228 4.983 4.470 0.476 0.000 0.283 287 S C -0.185 174.500 174.600 0.141 0.000 1.180 287 S CA -0.596 57.712 58.200 0.181 0.000 1.021 287 S CB 1.361 64.822 63.200 0.436 0.000 1.018 287 S HN -0.018 nan 8.310 nan 0.000 0.532 288 N N 1.748 120.539 118.700 0.152 0.000 2.485 288 N HA 0.347 5.373 4.740 0.476 0.000 0.243 288 N C -2.200 173.422 175.510 0.188 0.000 0.987 288 N CA -2.242 50.882 53.050 0.124 0.000 0.940 288 N CB 1.263 39.796 38.487 0.076 0.000 1.122 288 N HN 0.126 nan 8.380 nan 0.000 0.509 289 P HA 0.019 nan 4.420 nan 0.000 0.222 289 P C -0.235 177.151 177.300 0.144 0.000 1.147 289 P CA 1.170 64.419 63.100 0.248 0.000 0.790 289 P CB 0.284 32.131 31.700 0.244 0.000 0.780 290 N N -1.164 117.598 118.700 0.103 0.000 2.251 290 N HA 0.211 5.236 4.740 0.476 0.000 0.217 290 N C 0.699 176.244 175.510 0.057 0.000 1.124 290 N CA -0.209 52.882 53.050 0.067 0.000 0.843 290 N CB 0.443 38.961 38.487 0.051 0.000 1.024 290 N HN 0.070 nan 8.380 nan 0.000 0.501 291 G N -0.428 108.418 108.800 0.077 0.000 2.537 291 G HA2 0.214 4.460 3.960 0.476 0.000 0.323 291 G HA3 0.214 4.460 3.960 0.476 0.000 0.323 291 G C -0.092 174.856 174.900 0.080 0.000 1.207 291 G CA -0.659 44.487 45.100 0.076 0.000 0.976 291 G HN 0.147 nan 8.290 nan 0.000 0.487 292 N N -1.011 117.731 118.700 0.071 0.000 2.280 292 N HA 0.047 5.073 4.740 0.476 0.000 0.192 292 N C 1.064 176.598 175.510 0.040 0.000 1.109 292 N CA -0.298 52.773 53.050 0.034 0.000 0.855 292 N CB 0.321 38.807 38.487 -0.002 0.000 0.974 292 N HN 0.579 nan 8.380 nan 0.000 0.482 293 Y N 1.506 121.810 120.300 0.006 0.000 2.070 293 Y HA -0.186 4.648 4.550 0.473 0.000 0.280 293 Y C 1.709 177.617 175.900 0.014 0.000 1.148 293 Y CA 1.614 59.721 58.100 0.012 0.000 1.125 293 Y CB -0.078 38.408 38.460 0.044 0.000 0.975 293 Y HN 0.023 nan 8.280 nan 0.000 0.492 294 L N -0.570 120.790 121.223 0.228 0.000 2.109 294 L HA -0.155 4.470 4.340 0.476 0.000 0.207 294 L C 2.577 179.411 176.870 -0.060 0.000 1.086 294 L CA 1.613 56.527 54.840 0.123 0.000 0.760 294 L CB -0.828 41.327 42.059 0.159 0.000 0.910 294 L HN 0.413 nan 8.230 nan 0.000 0.437 295 T N -4.742 109.770 114.554 -0.071 0.000 2.821 295 T HA -0.155 4.481 4.350 0.476 0.000 0.267 295 T C 1.817 176.448 174.700 -0.116 0.000 1.046 295 T CA 1.563 63.603 62.100 -0.101 0.000 1.139 295 T CB -0.620 68.195 68.868 -0.088 0.000 0.871 295 T HN 0.147 nan 8.240 nan 0.000 0.454 296 T N 2.463 116.931 114.554 -0.144 0.000 2.652 296 T HA 0.057 4.693 4.350 0.476 0.000 0.267 296 T C 1.889 176.474 174.700 -0.192 0.000 1.039 296 T CA 1.338 63.334 62.100 -0.174 0.000 1.153 296 T CB -0.552 68.186 68.868 -0.218 0.000 0.863 296 T HN 0.288 nan 8.240 nan 0.000 0.428 297 L N 0.481 121.553 121.223 -0.253 0.000 2.046 297 L HA -0.048 4.578 4.340 0.476 0.000 0.208 297 L C 3.015 179.822 176.870 -0.104 0.000 1.077 297 L CA 1.465 56.187 54.840 -0.197 0.000 0.747 297 L CB -1.064 40.870 42.059 -0.208 0.000 0.896 297 L HN 0.382 nan 8.230 nan 0.000 0.432 298 G N -0.453 108.289 108.800 -0.096 0.000 2.418 298 G HA2 -0.245 4.000 3.960 0.476 0.000 0.217 298 G HA3 -0.245 4.000 3.960 0.476 0.000 0.217 298 G C 1.160 176.022 174.900 -0.063 0.000 1.158 298 G CA 0.847 45.904 45.100 -0.072 0.000 0.771 298 G HN 0.308 nan 8.290 nan 0.000 0.545 299 D N 0.275 120.630 120.400 -0.075 0.000 2.137 299 D HA -0.001 4.925 4.640 0.476 0.000 0.202 299 D C 2.427 178.693 176.300 -0.056 0.000 0.970 299 D CA 0.764 54.726 54.000 -0.063 0.000 0.837 299 D CB 0.032 40.791 40.800 -0.070 0.000 0.981 299 D HN 0.180 nan 8.370 nan 0.000 0.475 300 K N 0.134 120.492 120.400 -0.070 0.000 2.242 300 K HA 0.149 4.755 4.320 0.476 0.000 0.200 300 K C 0.981 177.555 176.600 -0.043 0.000 1.050 300 K CA -0.134 56.114 56.287 -0.064 0.000 0.981 300 K CB 0.352 32.796 32.500 -0.094 0.000 0.795 300 K HN 0.158 nan 8.250 nan 0.000 0.477 301 L N 3.463 124.664 121.223 -0.038 0.000 2.462 301 L HA -0.001 4.625 4.340 0.476 0.000 0.272 301 L C 0.061 176.940 176.870 0.016 0.000 1.166 301 L CA -0.268 54.571 54.840 -0.003 0.000 0.880 301 L CB 0.063 42.130 42.059 0.014 0.000 1.142 301 L HN 0.090 nan 8.230 nan 0.000 0.473 302 N N 6.151 124.870 118.700 0.031 0.000 2.293 302 N HA -0.062 4.963 4.740 0.476 0.000 0.253 302 N C -1.407 174.131 175.510 0.047 0.000 1.248 302 N CA -0.923 52.150 53.050 0.038 0.000 0.845 302 N CB 0.292 38.809 38.487 0.050 0.000 1.073 302 N HN 0.402 nan 8.380 nan 0.000 0.464 303 P HA -0.112 nan 4.420 nan 0.000 0.225 303 P C 0.717 178.059 177.300 0.070 0.000 1.148 303 P CA 1.050 64.178 63.100 0.047 0.000 0.779 303 P CB 0.185 31.907 31.700 0.035 0.000 0.780 304 S N -1.156 114.589 115.700 0.076 0.000 2.527 304 S HA 0.051 4.807 4.470 0.476 0.000 0.222 304 S C 0.989 175.658 174.600 0.114 0.000 0.985 304 S CA -0.206 58.053 58.200 0.098 0.000 0.921 304 S CB -0.962 62.293 63.200 0.091 0.000 0.772 304 S HN 0.043 nan 8.310 nan 0.000 0.529 305 I N 2.996 123.629 120.570 0.105 0.000 2.416 305 I HA 0.183 4.639 4.170 0.476 0.000 0.288 305 I C 0.157 176.345 176.117 0.119 0.000 1.051 305 I CA -0.518 60.849 61.300 0.113 0.000 1.375 305 I CB 0.731 38.799 38.000 0.113 0.000 1.407 305 I HN 0.166 nan 8.210 nan 0.000 0.516 306 Q N 6.295 126.162 119.800 0.111 0.000 2.299 306 Q HA 0.556 5.181 4.340 0.476 0.000 0.246 306 Q C -0.287 175.782 176.000 0.115 0.000 0.935 306 Q CA -0.119 55.764 55.803 0.132 0.000 0.887 306 Q CB 2.211 31.008 28.738 0.098 0.000 1.223 306 Q HN 0.542 nan 8.270 nan 0.000 0.439 310 T N 1.176 115.475 114.554 -0.424 0.000 3.069 310 T HA 0.508 5.144 4.350 0.476 0.000 0.252 310 T C 0.798 175.271 174.700 -0.379 0.000 1.053 310 T CA 1.220 63.105 62.100 -0.357 0.000 0.964 310 T CB 0.786 69.383 68.868 -0.452 0.000 1.005 310 T HN 1.496 nan 8.240 nan 0.000 0.532 311 G N 1.310 109.696 108.800 -0.689 0.000 2.384 311 G HA2 -0.142 4.104 3.960 0.476 0.000 0.200 311 G HA3 -0.142 4.104 3.960 0.476 0.000 0.200 311 G C -0.403 174.309 174.900 -0.313 0.000 1.205 311 G CA 0.075 45.040 45.100 -0.225 0.000 1.116 311 G HN 0.181 nan 8.290 nan 0.000 0.547 312 D N 1.263 121.588 120.400 -0.125 0.000 2.323 312 D HA 0.162 5.088 4.640 0.476 0.000 0.209 312 D C 1.456 177.606 176.300 -0.250 0.000 0.973 312 D CA 1.022 54.932 54.000 -0.151 0.000 0.874 312 D CB 0.243 40.998 40.800 -0.074 0.000 0.930 312 D HN 0.430 nan 8.370 nan 0.000 0.521 313 R N -0.982 119.339 120.500 -0.298 0.000 2.831 313 R HA 0.344 4.969 4.340 0.476 0.000 0.266 313 R C 1.163 177.145 176.300 -0.530 0.000 1.051 313 R CA -0.778 55.107 56.100 -0.359 0.000 0.943 313 R CB 1.341 31.514 30.300 -0.212 0.000 1.228 313 R HN -0.294 nan 8.270 nan 0.000 0.467 314 V N 1.021 120.526 119.914 -0.681 0.000 2.250 314 V HA -0.169 4.237 4.120 0.476 0.000 0.250 314 V C 1.072 176.751 176.094 -0.691 0.000 1.060 314 V CA 1.666 63.484 62.300 -0.803 0.000 1.030 314 V CB -0.268 30.952 31.823 -1.005 0.000 0.643 314 V HN 0.457 nan 8.190 nan 0.000 0.445 315 I N 1.070 121.238 120.570 -0.669 0.000 2.355 315 I HA 0.567 5.023 4.170 0.476 0.000 0.288 315 I C -0.119 175.748 176.117 -0.418 0.000 0.999 315 I CA 0.266 61.172 61.300 -0.657 0.000 1.163 315 I CB 0.635 38.159 38.000 -0.793 0.000 1.316 315 I HN 0.427 nan 8.210 nan 0.000 0.454 316 S N 4.584 120.111 115.700 -0.289 0.000 2.587 316 S HA 0.583 5.339 4.470 0.476 0.000 0.269 316 S C -1.472 173.293 174.600 0.275 0.000 1.154 316 S CA -0.984 57.236 58.200 0.033 0.000 0.824 316 S CB 2.483 65.675 63.200 -0.013 0.000 1.118 316 S HN 0.387 nan 8.310 nan 0.000 0.462 317 D N 1.004 121.606 120.400 0.338 0.000 2.294 317 D HA 0.504 5.430 4.640 0.476 0.000 0.250 317 D C -0.135 176.258 176.300 0.154 0.000 1.058 317 D CA -0.433 53.753 54.000 0.310 0.000 0.950 317 D CB 0.657 41.576 40.800 0.198 0.000 1.158 317 D HN 0.518 nan 8.370 nan 0.000 0.453 318 I N 1.256 121.874 120.570 0.079 0.000 2.331 318 I HA 0.190 4.646 4.170 0.476 0.000 0.292 318 I C 0.954 177.134 176.117 0.105 0.000 0.998 318 I CA -0.457 60.921 61.300 0.130 0.000 1.267 318 I CB 0.445 38.557 38.000 0.187 0.000 1.386 318 I HN 0.320 nan 8.210 nan 0.000 0.476 319 T N 2.608 117.238 114.554 0.126 0.000 2.950 319 T HA 0.461 5.097 4.350 0.476 0.000 0.288 319 T C 1.056 175.825 174.700 0.115 0.000 1.035 319 T CA -0.746 61.416 62.100 0.103 0.000 1.028 319 T CB 2.326 71.250 68.868 0.093 0.000 1.109 319 T HN 0.624 nan 8.240 nan 0.000 0.514 320 R N 0.118 120.674 120.500 0.094 0.000 2.073 320 R HA -0.116 4.510 4.340 0.476 0.000 0.234 320 R C 1.325 177.688 176.300 0.105 0.000 1.134 320 R CA 2.060 58.214 56.100 0.090 0.000 0.952 320 R CB -0.500 29.842 30.300 0.070 0.000 0.850 320 R HN 0.710 nan 8.270 nan 0.000 0.433 321 D N -0.842 119.622 120.400 0.105 0.000 2.144 321 D HA -0.067 4.859 4.640 0.476 0.000 0.200 321 D C 1.688 178.092 176.300 0.174 0.000 0.978 321 D CA 1.444 55.519 54.000 0.124 0.000 0.833 321 D CB -0.455 40.407 40.800 0.104 0.000 0.961 321 D HN 0.498 nan 8.370 nan 0.000 0.470 322 G N 0.700 109.603 108.800 0.172 0.000 2.402 322 G HA2 -0.199 4.046 3.960 0.476 0.000 0.216 322 G HA3 -0.199 4.046 3.960 0.476 0.000 0.216 322 G C 1.706 176.788 174.900 0.304 0.000 1.162 322 G CA 0.119 45.357 45.100 0.231 0.000 0.777 322 G HN 0.293 nan 8.290 nan 0.000 0.539 323 I N 0.771 121.481 120.570 0.233 0.000 2.353 323 I HA -0.122 4.334 4.170 0.476 0.000 0.248 323 I C 2.807 178.991 176.117 0.110 0.000 1.119 323 I CA 0.961 62.368 61.300 0.179 0.000 1.417 323 I CB 0.088 38.187 38.000 0.165 0.000 1.078 323 I HN 0.117 nan 8.210 nan 0.000 0.421 324 S N 0.210 115.985 115.700 0.125 0.000 2.370 324 S HA -0.288 4.468 4.470 0.476 0.000 0.226 324 S C 1.449 176.103 174.600 0.090 0.000 1.033 324 S CA 1.810 60.062 58.200 0.087 0.000 1.011 324 S CB -0.684 62.572 63.200 0.092 0.000 0.852 324 S HN 0.691 nan 8.310 nan 0.000 0.457 325 W N 1.753 123.044 121.300 -0.016 0.000 2.317 325 W HA -0.187 4.757 4.660 0.474 0.000 0.318 325 W C 2.042 178.481 176.519 -0.133 0.000 1.227 325 W CA 1.383 58.710 57.345 -0.030 0.000 1.269 325 W CB -0.485 28.997 29.460 0.037 0.000 1.155 325 W HN 0.251 nan 8.180 nan 0.000 0.484 326 I N 1.415 122.024 120.570 0.065 0.000 2.286 326 I HA -0.261 4.194 4.170 0.476 0.000 0.245 326 I C 1.880 177.777 176.117 -0.368 0.000 1.104 326 I CA 1.862 62.919 61.300 -0.405 0.000 1.397 326 I CB -0.992 36.293 38.000 -1.191 0.000 1.072 326 I HN -0.061 nan 8.210 nan 0.000 0.417 327 N N 0.821 119.390 118.700 -0.218 0.000 2.149 327 N HA -0.247 4.779 4.740 0.476 0.000 0.188 327 N C 1.841 177.258 175.510 -0.156 0.000 1.019 327 N CA 1.410 54.373 53.050 -0.145 0.000 0.857 327 N CB -0.381 38.066 38.487 -0.066 0.000 0.997 327 N HN 0.544 nan 8.380 nan 0.000 0.426 328 E N 0.274 120.360 120.200 -0.191 0.000 2.204 328 E HA -0.088 4.548 4.350 0.476 0.000 0.195 328 E C 1.573 178.028 176.600 -0.242 0.000 0.990 328 E CA 0.760 57.041 56.400 -0.199 0.000 0.821 328 E CB 0.198 29.765 29.700 -0.222 0.000 0.750 328 E HN 0.295 nan 8.360 nan 0.000 0.477 329 R N -0.226 120.075 120.500 -0.331 0.000 2.128 329 R HA 0.089 4.715 4.340 0.476 0.000 0.211 329 R C 2.385 178.562 176.300 -0.205 0.000 1.067 329 R CA 0.883 56.795 56.100 -0.314 0.000 1.010 329 R CB 0.037 30.061 30.300 -0.460 0.000 0.922 329 R HN 0.276 nan 8.270 nan 0.000 0.457 330 I N -2.010 118.447 120.570 -0.188 0.000 3.728 330 I HA 0.166 4.622 4.170 0.476 0.000 0.307 330 I C -0.324 175.748 176.117 -0.075 0.000 1.276 330 I CA -0.031 61.202 61.300 -0.112 0.000 1.285 330 I CB 0.388 38.337 38.000 -0.085 0.000 1.038 330 I HN -0.115 nan 8.210 nan 0.000 0.445 331 K N 2.387 122.735 120.400 -0.086 0.000 3.192 331 K HA -0.178 4.428 4.320 0.476 0.000 0.278 331 K C -0.369 176.215 176.600 -0.027 0.000 1.164 331 K CA 1.100 57.352 56.287 -0.058 0.000 0.816 331 K CB -1.789 30.680 32.500 -0.051 0.000 1.256 331 K HN 0.884 nan 8.250 nan 0.000 0.497 332 R N -2.371 118.118 120.500 -0.019 0.000 2.712 332 R HA 0.466 5.092 4.340 0.476 0.000 0.272 332 R C -3.373 172.941 176.300 0.024 0.000 1.032 332 R CA -1.827 54.284 56.100 0.017 0.000 0.874 332 R CB 1.098 31.426 30.300 0.046 0.000 1.256 332 R HN -0.296 nan 8.270 nan 0.000 0.468 333 P HA 0.152 nan 4.420 nan 0.000 0.271 333 P C -0.516 176.850 177.300 0.111 0.000 1.220 333 P CA -0.112 63.027 63.100 0.066 0.000 0.768 333 P CB 1.028 32.770 31.700 0.071 0.000 0.848 334 A N 3.798 126.679 122.820 0.102 0.000 2.445 334 A HA 0.109 4.715 4.320 0.476 0.000 0.242 334 A C -0.673 177.076 177.584 0.274 0.000 1.075 334 A CA -0.028 52.112 52.037 0.171 0.000 0.777 334 A CB -0.404 18.671 19.000 0.126 0.000 1.013 334 A HN 0.614 nan 8.150 nan 0.000 0.493 335 Y N 3.489 123.909 120.300 0.200 0.000 2.454 335 Y HA 0.370 5.209 4.550 0.482 0.000 0.345 335 Y C -0.100 175.927 175.900 0.213 0.000 0.970 335 Y CA -0.980 57.244 58.100 0.205 0.000 1.204 335 Y CB 0.425 38.994 38.460 0.181 0.000 1.122 335 Y HN 0.469 nan 8.280 nan 0.000 0.514 336 I N 6.420 127.149 120.570 0.265 0.000 2.471 336 I HA -0.126 4.329 4.170 0.476 0.000 0.286 336 I C -0.195 175.987 176.117 0.108 0.000 1.079 336 I CA -0.214 61.192 61.300 0.176 0.000 1.398 336 I CB 0.332 38.345 38.000 0.022 0.000 1.403 336 I HN 0.715 nan 8.210 nan 0.000 0.530 337 W N 9.120 130.392 121.300 -0.046 0.000 2.288 337 W HA 0.186 5.123 4.660 0.462 0.000 0.325 337 W C -1.273 175.149 176.519 -0.162 0.000 1.019 337 W CA -1.461 55.800 57.345 -0.140 0.000 1.403 337 W CB 0.972 30.312 29.460 -0.200 0.000 1.226 337 W HN 0.555 nan 8.180 nan 0.000 0.391 338 W N 8.091 129.279 121.300 -0.187 0.000 2.316 338 W HA 0.281 5.227 4.660 0.476 0.000 0.308 338 W C 0.203 176.718 176.519 -0.006 0.000 1.106 338 W CA -0.731 56.509 57.345 -0.175 0.000 1.262 338 W CB 0.606 29.846 29.460 -0.365 0.000 1.233 338 W HN 0.240 nan 8.180 nan 0.000 0.447 339 N N 6.946 125.417 118.700 -0.383 0.000 3.303 339 N HA 0.087 5.113 4.740 0.476 0.000 0.304 339 N C -1.565 173.550 175.510 -0.658 0.000 1.302 339 N CA 0.225 53.028 53.050 -0.412 0.000 1.213 339 N CB -0.481 37.784 38.487 -0.370 0.000 1.481 339 N HN 0.329 nan 8.380 nan 0.000 0.546 340 F N 1.023 120.389 119.950 -0.974 0.000 2.635 340 F HA 0.343 5.156 4.527 0.477 0.000 0.314 340 F C -2.282 173.228 175.800 -0.482 0.000 1.119 340 F CA -1.783 55.712 58.000 -0.842 0.000 1.000 340 F CB 2.255 40.434 39.000 -1.368 0.000 1.278 340 F HN -0.063 nan 8.300 nan 0.000 0.446 341 P HA 0.029 nan 4.420 nan 0.000 0.257 341 P C 0.311 177.247 177.300 -0.606 0.000 1.325 341 P CA 0.373 62.681 63.100 -1.319 0.000 0.850 341 P CB 0.259 31.330 31.700 -1.049 0.000 1.324 342 V N 0.886 120.575 119.914 -0.376 0.000 2.726 342 V HA -0.085 4.320 4.120 0.476 0.000 0.304 342 V C 1.017 176.981 176.094 -0.217 0.000 1.115 342 V CA 1.405 63.571 62.300 -0.222 0.000 1.264 342 V CB -0.057 31.724 31.823 -0.071 0.000 0.867 342 V HN 0.111 nan 8.190 nan 0.000 0.498 343 S N 2.988 118.538 115.700 -0.251 0.000 2.749 343 S HA 0.170 4.925 4.470 0.476 0.000 0.246 343 S C 0.902 175.354 174.600 -0.247 0.000 1.023 343 S CA 0.155 58.167 58.200 -0.313 0.000 1.012 343 S CB -0.051 63.009 63.200 -0.234 0.000 0.942 343 S HN 1.078 nan 8.310 nan 0.000 0.531 344 D N 0.755 121.106 120.400 -0.082 0.000 2.378 344 D HA -0.106 4.819 4.640 0.476 0.000 0.227 344 D C 0.952 177.313 176.300 0.102 0.000 1.012 344 D CA 0.435 54.456 54.000 0.036 0.000 0.905 344 D CB -0.400 40.494 40.800 0.157 0.000 0.895 344 D HN 0.715 nan 8.370 nan 0.000 0.532 345 Y N -0.942 119.371 120.300 0.022 0.000 2.500 345 Y HA 0.383 5.218 4.550 0.474 0.000 0.246 345 Y C 0.310 176.239 175.900 0.050 0.000 1.146 345 Y CA -0.654 57.460 58.100 0.024 0.000 1.230 345 Y CB 0.353 38.856 38.460 0.072 0.000 1.214 345 Y HN -0.059 nan 8.280 nan 0.000 0.526 346 V N -1.407 118.299 119.914 -0.347 0.000 2.502 346 V HA 0.490 4.895 4.120 0.476 0.000 0.261 346 V C 0.674 176.787 176.094 0.031 0.000 0.996 346 V CA -0.714 61.492 62.300 -0.158 0.000 1.095 346 V CB 0.382 31.994 31.823 -0.353 0.000 1.325 346 V HN 0.263 nan 8.190 nan 0.000 0.574 347 R N 1.309 121.868 120.500 0.098 0.000 2.237 347 R HA -0.050 4.576 4.340 0.476 0.000 0.219 347 R C 1.437 177.922 176.300 0.309 0.000 1.080 347 R CA 1.518 57.713 56.100 0.159 0.000 0.995 347 R CB 0.093 30.494 30.300 0.168 0.000 0.875 347 R HN 0.880 nan 8.270 nan 0.000 0.462 348 D N -0.888 119.698 120.400 0.311 0.000 2.363 348 D HA -0.074 4.852 4.640 0.476 0.000 0.226 348 D C 0.225 176.777 176.300 0.419 0.000 1.020 348 D CA 0.625 54.827 54.000 0.337 0.000 0.892 348 D CB -0.123 40.766 40.800 0.147 0.000 0.900 348 D HN 0.225 nan 8.370 nan 0.000 0.531 349 H N -0.060 119.181 119.070 0.285 0.000 2.529 349 H HA 0.430 5.271 4.556 0.476 0.000 0.348 349 H C -0.187 175.037 175.328 -0.173 0.000 1.152 349 H CA -0.867 55.260 56.048 0.132 0.000 1.202 349 H CB 2.235 32.015 29.762 0.030 0.000 1.562 349 H HN -0.091 nan 8.280 nan 0.000 0.515 350 L N 3.602 124.621 121.223 -0.341 0.000 2.289 350 L HA 0.305 4.931 4.340 0.476 0.000 0.285 350 L C -0.114 176.632 176.870 -0.205 0.000 1.049 350 L CA -0.608 53.950 54.840 -0.470 0.000 0.804 350 L CB 1.175 42.779 42.059 -0.758 0.000 1.195 350 L HN 0.334 nan 8.230 nan 0.000 0.428 351 L N 5.789 126.908 121.223 -0.175 0.000 2.371 351 L HA 0.337 4.963 4.340 0.476 0.000 0.262 351 L C 0.362 177.206 176.870 -0.042 0.000 1.054 351 L CA -0.080 54.714 54.840 -0.077 0.000 0.924 351 L CB 0.660 42.631 42.059 -0.146 0.000 1.295 351 L HN 0.669 nan 8.230 nan 0.000 0.441 352 L N 1.485 122.734 121.223 0.044 0.000 2.808 352 L HA 0.325 4.951 4.340 0.476 0.000 0.246 352 L C 1.365 178.462 176.870 0.379 0.000 1.153 352 L CA -0.209 54.706 54.840 0.125 0.000 0.956 352 L CB 0.428 42.496 42.059 0.015 0.000 1.270 352 L HN 0.587 nan 8.230 nan 0.000 0.528 353 G N 0.944 109.950 108.800 0.343 0.000 2.621 353 G HA2 0.320 4.566 3.960 0.476 0.000 0.271 353 G HA3 0.320 4.566 3.960 0.476 0.000 0.271 353 G C -2.426 172.635 174.900 0.268 0.000 1.236 353 G CA -0.778 44.472 45.100 0.251 0.000 0.958 353 G HN -0.120 nan 8.290 nan 0.000 0.512 354 P HA 0.133 nan 4.420 nan 0.000 0.270 354 P C -0.261 177.105 177.300 0.111 0.000 1.223 354 P CA -0.309 62.688 63.100 -0.171 0.000 0.785 354 P CB 0.858 31.975 31.700 -0.971 0.000 0.923 355 V N 3.996 124.063 119.914 0.255 0.000 2.408 355 V HA 0.284 4.689 4.120 0.476 0.000 0.267 355 V C 0.008 176.218 176.094 0.193 0.000 1.047 355 V CA 0.462 62.909 62.300 0.246 0.000 0.937 355 V CB -1.001 31.049 31.823 0.378 0.000 0.999 355 V HN 0.628 nan 8.190 nan 0.000 0.472 356 Y N 1.895 122.146 120.300 -0.082 0.000 2.689 356 Y HA 0.815 5.651 4.550 0.478 0.000 0.333 356 Y C 0.596 176.425 175.900 -0.118 0.000 1.208 356 Y CA -0.469 57.566 58.100 -0.108 0.000 1.055 356 Y CB 1.436 39.802 38.460 -0.156 0.000 1.304 356 Y HN 0.726 nan 8.280 nan 0.000 0.455 357 G N 0.750 109.541 108.800 -0.015 0.000 2.218 357 G HA2 -0.220 4.026 3.960 0.476 0.000 0.216 357 G HA3 -0.220 4.026 3.960 0.476 0.000 0.216 357 G C -0.790 174.055 174.900 -0.092 0.000 0.994 357 G CA -0.220 44.859 45.100 -0.035 0.000 0.637 357 G HN 0.692 nan 8.290 nan 0.000 0.505 358 N N 1.820 120.358 118.700 -0.270 0.000 2.455 358 N HA 0.323 5.349 4.740 0.476 0.000 0.280 358 N C -0.765 174.688 175.510 -0.096 0.000 1.055 358 N CA -0.390 52.472 53.050 -0.313 0.000 0.961 358 N CB 1.424 39.422 38.487 -0.815 0.000 1.121 358 N HN 0.302 nan 8.380 nan 0.000 0.476 359 D N 0.928 121.337 120.400 0.015 0.000 2.493 359 D HA -0.057 4.869 4.640 0.476 0.000 0.240 359 D C 0.800 177.180 176.300 0.135 0.000 1.142 359 D CA 0.551 54.595 54.000 0.073 0.000 0.872 359 D CB 0.838 41.682 40.800 0.073 0.000 1.173 359 D HN 0.541 nan 8.370 nan 0.000 0.467 360 T N -0.691 113.942 114.554 0.131 0.000 3.107 360 T HA -0.016 4.620 4.350 0.476 0.000 0.249 360 T C 1.351 176.060 174.700 0.015 0.000 1.096 360 T CA 0.448 62.622 62.100 0.123 0.000 1.012 360 T CB -0.076 68.883 68.868 0.153 0.000 0.977 360 T HN 0.400 nan 8.240 nan 0.000 0.527 361 T N -0.218 114.349 114.554 0.021 0.000 3.085 361 T HA 0.313 4.949 4.350 0.476 0.000 0.264 361 T C 1.173 175.871 174.700 -0.003 0.000 1.019 361 T CA -0.461 61.641 62.100 0.002 0.000 0.910 361 T CB -0.722 68.157 68.868 0.018 0.000 1.059 361 T HN 0.665 nan 8.240 nan 0.000 0.542 362 I N -1.851 118.719 120.570 -0.001 0.000 3.877 362 I HA 0.722 5.177 4.170 0.476 0.000 0.332 362 I C 1.940 178.051 176.117 -0.011 0.000 1.525 362 I CA -0.768 60.540 61.300 0.013 0.000 1.146 362 I CB -0.212 37.820 38.000 0.054 0.000 1.137 362 I HN 0.073 nan 8.210 nan 0.000 0.424 363 A N 2.308 125.088 122.820 -0.066 0.000 1.917 363 A HA -0.205 4.401 4.320 0.476 0.000 0.219 363 A C 2.347 179.903 177.584 -0.047 0.000 1.182 363 A CA 1.780 53.758 52.037 -0.097 0.000 0.633 363 A CB -0.448 18.459 19.000 -0.156 0.000 0.819 363 A HN 0.523 nan 8.150 nan 0.000 0.448 364 K N -0.243 120.139 120.400 -0.030 0.000 2.211 364 K HA -0.102 4.503 4.320 0.476 0.000 0.204 364 K C 0.359 176.963 176.600 0.006 0.000 1.047 364 K CA 0.889 57.169 56.287 -0.012 0.000 0.935 364 K CB -0.069 32.428 32.500 -0.006 0.000 0.728 364 K HN 0.535 nan 8.250 nan 0.000 0.452 368 G N 0.622 109.324 108.800 -0.163 0.000 2.646 368 G HA2 0.625 4.871 3.960 0.476 0.000 0.291 368 G HA3 0.625 4.871 3.960 0.476 0.000 0.291 368 G C -2.290 172.505 174.900 -0.175 0.000 1.445 368 G CA -0.732 44.111 45.100 -0.428 0.000 0.814 368 G HN 0.560 nan 8.290 nan 0.000 0.495 369 F N 1.427 121.248 119.950 -0.216 0.000 2.730 369 F HA 0.568 5.383 4.527 0.480 0.000 0.335 369 F C -0.375 175.444 175.800 0.031 0.000 1.212 369 F CA -0.769 57.220 58.000 -0.019 0.000 1.016 369 F CB 1.930 40.952 39.000 0.037 0.000 1.290 369 F HN 0.576 nan 8.300 nan 0.000 0.495 370 V N 2.137 121.982 119.914 -0.114 0.000 2.680 370 V HA 0.717 5.123 4.120 0.476 0.000 0.309 370 V C -0.478 175.544 176.094 -0.120 0.000 1.052 370 V CA -0.623 61.655 62.300 -0.037 0.000 0.908 370 V CB 1.367 33.159 31.823 -0.051 0.000 1.001 370 V HN 0.757 nan 8.190 nan 0.000 0.431 371 T N 2.660 117.233 114.554 0.032 0.000 2.806 371 T HA 0.346 4.981 4.350 0.476 0.000 0.290 371 T C -0.122 174.500 174.700 -0.131 0.000 0.966 371 T CA -0.277 61.868 62.100 0.075 0.000 1.060 371 T CB 0.436 69.474 68.868 0.282 0.000 0.927 371 T HN 0.945 nan 8.240 nan 0.000 0.485 372 N N 6.514 125.088 118.700 -0.210 0.000 2.406 372 N HA 0.396 5.421 4.740 0.476 0.000 0.251 372 N C -2.326 173.120 175.510 -0.106 0.000 1.069 372 N CA -1.855 51.059 53.050 -0.227 0.000 0.947 372 N CB 0.981 39.388 38.487 -0.135 0.000 1.111 372 N HN 0.430 nan 8.380 nan 0.000 0.497 376 H N 1.594 120.646 119.070 -0.029 0.000 3.008 376 H HA 0.499 5.343 4.556 0.479 0.000 0.268 376 H C 1.033 176.302 175.328 -0.097 0.000 1.323 376 H CA 0.541 56.552 56.048 -0.063 0.000 1.401 376 H CB 1.225 30.895 29.762 -0.154 0.000 1.556 376 H HN 0.388 nan 8.280 nan 0.000 0.502 377 A N 3.582 126.286 122.820 -0.193 0.000 1.851 377 A HA -0.188 4.418 4.320 0.476 0.000 0.216 377 A C 2.174 179.480 177.584 -0.463 0.000 1.195 377 A CA 1.255 52.857 52.037 -0.726 0.000 0.622 377 A CB 0.027 18.243 19.000 -1.306 0.000 0.831 377 A HN 0.524 nan 8.150 nan 0.000 0.444 378 E N 0.204 120.193 120.200 -0.352 0.000 2.072 378 E HA -0.101 4.534 4.350 0.476 0.000 0.191 378 E C 2.348 178.800 176.600 -0.246 0.000 0.985 378 E CA 1.309 57.516 56.400 -0.322 0.000 0.801 378 E CB -0.577 28.965 29.700 -0.263 0.000 0.750 378 E HN 0.562 nan 8.360 nan 0.000 0.452 379 S N 1.111 116.709 115.700 -0.169 0.000 2.400 379 S HA -0.094 4.662 4.470 0.476 0.000 0.232 379 S C 2.067 176.604 174.600 -0.104 0.000 1.025 379 S CA 0.948 59.067 58.200 -0.135 0.000 0.993 379 S CB -0.098 63.023 63.200 -0.132 0.000 0.808 379 S HN 0.141 nan 8.310 nan 0.000 0.478 380 S N 0.927 116.577 115.700 -0.083 0.000 2.522 380 S HA 0.075 4.831 4.470 0.476 0.000 0.227 380 S C 1.589 176.204 174.600 0.026 0.000 0.986 380 S CA 0.433 58.625 58.200 -0.013 0.000 0.929 380 S CB -0.034 63.223 63.200 0.095 0.000 0.769 380 S HN 0.469 nan 8.310 nan 0.000 0.529 381 K N 1.100 121.446 120.400 -0.090 0.000 2.280 381 K HA 0.020 4.626 4.320 0.476 0.000 0.202 381 K C 1.631 178.301 176.600 0.117 0.000 1.047 381 K CA 0.834 57.058 56.287 -0.105 0.000 0.942 381 K CB -0.268 31.861 32.500 -0.619 0.000 0.739 381 K HN 0.378 nan 8.250 nan 0.000 0.457 382 I N 0.879 121.479 120.570 0.051 0.000 2.127 382 I HA -0.315 4.141 4.170 0.476 0.000 0.241 382 I C 2.495 178.785 176.117 0.287 0.000 1.075 382 I CA 1.434 62.795 61.300 0.101 0.000 1.334 382 I CB -0.393 37.630 38.000 0.037 0.000 1.040 382 I HN 0.147 nan 8.210 nan 0.000 0.405 383 A N 0.741 123.737 122.820 0.293 0.000 1.929 383 A HA -0.103 4.503 4.320 0.476 0.000 0.216 383 A C 2.294 180.130 177.584 0.420 0.000 1.176 383 A CA 1.220 53.499 52.037 0.404 0.000 0.628 383 A CB -0.737 18.452 19.000 0.315 0.000 0.816 383 A HN 0.362 nan 8.150 nan 0.000 0.444 384 I N -1.971 118.830 120.570 0.385 0.000 2.142 384 I HA -0.292 4.163 4.170 0.476 0.000 0.240 384 I C 2.454 178.850 176.117 0.465 0.000 1.078 384 I CA 1.917 63.471 61.300 0.424 0.000 1.343 384 I CB -0.506 37.782 38.000 0.480 0.000 1.046 384 I HN 0.534 nan 8.210 nan 0.000 0.405 385 Y N 1.429 121.980 120.300 0.418 0.000 2.193 385 Y HA -0.330 4.505 4.550 0.476 0.000 0.285 385 Y C 2.721 178.749 175.900 0.214 0.000 1.166 385 Y CA 2.049 60.308 58.100 0.265 0.000 1.181 385 Y CB -0.029 38.620 38.460 0.315 0.000 0.976 385 Y HN 0.092 nan 8.280 nan 0.000 0.520 386 S N -0.913 115.102 115.700 0.525 0.000 2.371 386 S HA -0.144 4.611 4.470 0.476 0.000 0.224 386 S C 1.995 176.742 174.600 0.245 0.000 1.029 386 S CA 1.174 59.655 58.200 0.469 0.000 0.978 386 S CB -0.474 63.040 63.200 0.525 0.000 0.833 386 S HN 0.312 nan 8.310 nan 0.000 0.466 387 V N 2.239 122.302 119.914 0.248 0.000 2.490 387 V HA -0.172 4.234 4.120 0.476 0.000 0.250 387 V C 2.625 178.789 176.094 0.116 0.000 1.061 387 V CA 1.550 63.956 62.300 0.177 0.000 1.064 387 V CB -1.222 30.834 31.823 0.388 0.000 0.670 387 V HN 0.521 nan 8.190 nan 0.000 0.461 388 A N -0.465 122.414 122.820 0.099 0.000 1.883 388 A HA -0.256 4.350 4.320 0.476 0.000 0.217 388 A C 2.578 180.143 177.584 -0.032 0.000 1.186 388 A CA 2.348 54.387 52.037 0.004 0.000 0.624 388 A CB -0.832 18.104 19.000 -0.106 0.000 0.822 388 A HN 0.490 nan 8.150 nan 0.000 0.444 389 S N -1.920 113.759 115.700 -0.034 0.000 2.356 389 S HA -0.206 4.550 4.470 0.476 0.000 0.223 389 S C 1.930 176.565 174.600 0.059 0.000 1.032 389 S CA 1.692 59.907 58.200 0.025 0.000 1.005 389 S CB -0.582 62.706 63.200 0.146 0.000 0.867 389 S HN 0.683 nan 8.310 nan 0.000 0.449 390 Y N 1.967 122.115 120.300 -0.253 0.000 2.114 390 Y HA -0.038 4.798 4.550 0.475 0.000 0.284 390 Y C 2.379 178.064 175.900 -0.358 0.000 1.143 390 Y CA 1.628 59.396 58.100 -0.554 0.000 1.135 390 Y CB -0.978 36.789 38.460 -1.155 0.000 0.980 390 Y HN 0.294 nan 8.280 nan 0.000 0.499 391 A N 0.449 123.025 122.820 -0.407 0.000 1.968 391 A HA -0.164 4.442 4.320 0.476 0.000 0.217 391 A C 2.215 179.653 177.584 -0.243 0.000 1.169 391 A CA 1.191 52.970 52.037 -0.431 0.000 0.638 391 A CB -1.485 17.437 19.000 -0.131 0.000 0.812 391 A HN 0.859 nan 8.150 nan 0.000 0.446 392 W N 0.301 121.433 121.300 -0.280 0.000 2.407 392 W HA 0.004 4.949 4.660 0.475 0.000 0.305 392 W C -0.053 176.308 176.519 -0.263 0.000 1.196 392 W CA 1.531 58.735 57.345 -0.235 0.000 1.311 392 W CB 0.010 29.344 29.460 -0.210 0.000 1.135 392 W HN 0.376 nan 8.180 nan 0.000 0.514 393 N N 0.262 118.967 118.700 0.009 0.000 2.752 393 N HA 0.161 5.186 4.740 0.476 0.000 0.260 393 N C -2.004 173.429 175.510 -0.128 0.000 1.562 393 N CA -1.727 51.279 53.050 -0.074 0.000 0.788 393 N CB 0.808 39.341 38.487 0.076 0.000 1.192 393 N HN -0.163 nan 8.380 nan 0.000 0.503 394 P HA -0.097 nan 4.420 nan 0.000 0.217 394 P C 1.168 178.423 177.300 -0.075 0.000 1.150 394 P CA 0.955 63.840 63.100 -0.359 0.000 0.832 394 P CB 0.295 31.623 31.700 -0.620 0.000 0.787 395 A N 0.414 123.183 122.820 -0.086 0.000 1.917 395 A HA -0.208 4.398 4.320 0.476 0.000 0.219 395 A C 1.950 179.544 177.584 0.015 0.000 1.182 395 A CA 2.167 54.187 52.037 -0.028 0.000 0.633 395 A CB -1.110 17.860 19.000 -0.050 0.000 0.819 395 A HN 0.136 nan 8.150 nan 0.000 0.448 396 K N -1.448 118.965 120.400 0.021 0.000 2.410 396 K HA 0.181 4.787 4.320 0.476 0.000 0.200 396 K C -0.188 176.464 176.600 0.087 0.000 1.023 396 K CA -0.331 55.980 56.287 0.039 0.000 1.149 396 K CB -0.156 32.356 32.500 0.020 0.000 0.859 396 K HN 0.533 nan 8.250 nan 0.000 0.514 397 Y N 1.875 122.186 120.300 0.018 0.000 2.544 397 Y HA 0.063 4.900 4.550 0.478 0.000 0.330 397 Y C -0.332 175.611 175.900 0.072 0.000 1.136 397 Y CA -0.700 57.439 58.100 0.065 0.000 1.417 397 Y CB 0.320 38.868 38.460 0.147 0.000 1.229 397 Y HN 0.017 nan 8.280 nan 0.000 0.532 398 D N 4.948 124.982 120.400 -0.610 0.000 2.461 398 D HA 0.162 5.088 4.640 0.476 0.000 0.240 398 D C 0.631 176.510 176.300 -0.702 0.000 1.094 398 D CA -0.150 53.574 54.000 -0.461 0.000 0.868 398 D CB 1.418 42.125 40.800 -0.154 0.000 1.062 398 D HN 0.789 nan 8.370 nan 0.000 0.530 399 T N 2.381 116.522 114.554 -0.687 0.000 2.597 399 T HA -0.211 4.425 4.350 0.476 0.000 0.267 399 T C 1.455 176.003 174.700 -0.253 0.000 1.053 399 T CA 1.521 63.318 62.100 -0.505 0.000 1.165 399 T CB -0.236 68.392 68.868 -0.401 0.000 0.863 399 T HN 0.564 nan 8.240 nan 0.000 0.427 400 W N 0.739 121.994 121.300 -0.075 0.000 2.494 400 W HA 0.081 5.028 4.660 0.478 0.000 0.286 400 W C 2.835 179.439 176.519 0.142 0.000 1.218 400 W CA 0.083 57.443 57.345 0.025 0.000 1.313 400 W CB -0.307 29.122 29.460 -0.051 0.000 1.105 400 W HN 0.179 nan 8.180 nan 0.000 0.561 401 Q N 0.273 120.234 119.800 0.269 0.000 2.084 401 Q HA -0.146 4.479 4.340 0.476 0.000 0.202 401 Q C 1.903 178.034 176.000 0.218 0.000 0.978 401 Q CA 2.610 58.536 55.803 0.204 0.000 0.844 401 Q CB -0.739 28.064 28.738 0.109 0.000 0.898 401 Q HN 0.091 nan 8.270 nan 0.000 0.426 402 T N -0.499 114.174 114.554 0.199 0.000 2.708 402 T HA -0.168 4.468 4.350 0.476 0.000 0.266 402 T C 1.035 175.951 174.700 0.359 0.000 1.037 402 T CA 1.242 63.525 62.100 0.304 0.000 1.146 402 T CB -0.715 68.347 68.868 0.324 0.000 0.865 402 T HN 0.569 nan 8.240 nan 0.000 0.435 403 W N 2.409 123.795 121.300 0.144 0.000 2.318 403 W HA -0.175 4.770 4.660 0.475 0.000 0.313 403 W C 2.147 178.716 176.519 0.083 0.000 1.221 403 W CA 1.357 58.770 57.345 0.113 0.000 1.266 403 W CB -0.168 29.337 29.460 0.076 0.000 1.150 403 W HN 0.144 nan 8.180 nan 0.000 0.496 404 K N -0.418 120.162 120.400 0.301 0.000 2.057 404 K HA -0.184 4.422 4.320 0.476 0.000 0.207 404 K C 1.583 178.140 176.600 -0.071 0.000 1.049 404 K CA 1.726 58.043 56.287 0.051 0.000 0.931 404 K CB -0.486 32.140 32.500 0.210 0.000 0.714 404 K HN 0.095 nan 8.250 nan 0.000 0.440 405 D N 0.737 121.140 120.400 0.005 0.000 2.144 405 D HA -0.119 4.807 4.640 0.476 0.000 0.200 405 D C 1.841 177.907 176.300 -0.389 0.000 0.978 405 D CA 1.204 55.178 54.000 -0.044 0.000 0.833 405 D CB -0.204 40.703 40.800 0.178 0.000 0.961 405 D HN 0.192 nan 8.370 nan 0.000 0.470 406 A N 0.908 123.348 122.820 -0.633 0.000 1.877 406 A HA -0.153 4.452 4.320 0.476 0.000 0.216 406 A C 2.387 179.652 177.584 -0.531 0.000 1.186 406 A CA 1.003 52.426 52.037 -1.023 0.000 0.620 406 A CB -0.798 17.897 19.000 -0.507 0.000 0.822 406 A HN 0.187 nan 8.150 nan 0.000 0.443 407 I N -1.157 119.147 120.570 -0.443 0.000 2.208 407 I HA -0.257 4.198 4.170 0.476 0.000 0.245 407 I C 2.741 178.700 176.117 -0.263 0.000 1.097 407 I CA 1.820 62.889 61.300 -0.384 0.000 1.363 407 I CB -0.276 37.404 38.000 -0.532 0.000 1.051 407 I HN 0.354 nan 8.210 nan 0.000 0.413 408 R N 0.265 120.628 120.500 -0.229 0.000 2.148 408 R HA -0.107 4.519 4.340 0.476 0.000 0.223 408 R C 2.169 178.397 176.300 -0.121 0.000 1.088 408 R CA 1.509 57.522 56.100 -0.145 0.000 0.985 408 R CB -0.076 30.162 30.300 -0.103 0.000 0.880 408 R HN 0.253 nan 8.270 nan 0.000 0.451 409 T N 0.669 115.129 114.554 -0.155 0.000 2.777 409 T HA -0.037 4.598 4.350 0.476 0.000 0.266 409 T C 1.681 176.354 174.700 -0.045 0.000 1.040 409 T CA 1.289 63.342 62.100 -0.077 0.000 1.141 409 T CB -0.010 68.812 68.868 -0.076 0.000 0.868 409 T HN 0.188 nan 8.240 nan 0.000 0.444 410 I N -0.270 120.237 120.570 -0.105 0.000 2.500 410 I HA 0.098 4.554 4.170 0.476 0.000 0.252 410 I C 0.569 176.615 176.117 -0.118 0.000 1.142 410 I CA 0.727 61.960 61.300 -0.111 0.000 1.451 410 I CB 0.292 38.187 38.000 -0.176 0.000 1.093 410 I HN 0.091 nan 8.210 nan 0.000 0.430 411 L N 1.036 122.185 121.223 -0.123 0.000 2.472 411 L HA 0.349 4.975 4.340 0.476 0.000 0.256 411 L C -2.008 174.805 176.870 -0.094 0.000 1.560 411 L CA -1.295 53.479 54.840 -0.110 0.000 0.805 411 L CB 0.586 42.569 42.059 -0.125 0.000 1.017 411 L HN -0.211 nan 8.230 nan 0.000 0.519 412 P HA -0.167 nan 4.420 nan 0.000 0.216 412 P C 1.537 178.803 177.300 -0.056 0.000 1.150 412 P CA 1.737 64.800 63.100 -0.063 0.000 0.843 412 P CB 0.160 31.831 31.700 -0.049 0.000 0.787 413 S N -1.070 114.597 115.700 -0.056 0.000 2.474 413 S HA 0.090 4.846 4.470 0.476 0.000 0.235 413 S C 1.421 175.992 174.600 -0.049 0.000 0.997 413 S CA 0.846 59.017 58.200 -0.048 0.000 0.949 413 S CB -0.681 62.491 63.200 -0.048 0.000 0.766 413 S HN 0.170 nan 8.310 nan 0.000 0.517 414 A N -0.294 122.490 122.820 -0.060 0.000 2.897 414 A HA 0.859 5.464 4.320 0.476 0.000 0.230 414 A C 1.236 178.780 177.584 -0.067 0.000 0.896 414 A CA 0.091 52.093 52.037 -0.057 0.000 1.114 414 A CB -0.326 18.635 19.000 -0.065 0.000 1.230 414 A HN 0.477 nan 8.150 nan 0.000 0.481 415 A N 0.500 123.278 122.820 -0.070 0.000 1.877 415 A HA -0.137 4.469 4.320 0.476 0.000 0.216 415 A C 1.730 179.269 177.584 -0.075 0.000 1.186 415 A CA 1.895 53.876 52.037 -0.093 0.000 0.620 415 A CB -0.337 18.609 19.000 -0.090 0.000 0.822 415 A HN 0.627 nan 8.150 nan 0.000 0.443 416 E N -0.511 119.668 120.200 -0.033 0.000 2.106 416 E HA -0.196 4.440 4.350 0.476 0.000 0.192 416 E C 2.002 178.616 176.600 0.022 0.000 0.984 416 E CA 1.344 57.746 56.400 0.004 0.000 0.806 416 E CB -0.155 29.560 29.700 0.024 0.000 0.750 416 E HN 0.643 nan 8.360 nan 0.000 0.458 417 E N 0.736 120.941 120.200 0.008 0.000 2.072 417 E HA -0.163 4.473 4.350 0.476 0.000 0.191 417 E C 1.853 178.469 176.600 0.026 0.000 0.985 417 E CA 0.487 56.903 56.400 0.026 0.000 0.801 417 E CB -0.124 29.573 29.700 -0.005 0.000 0.750 417 E HN 0.088 nan 8.360 nan 0.000 0.452 418 L N 1.131 122.336 121.223 -0.030 0.000 2.109 418 L HA -0.091 4.535 4.340 0.476 0.000 0.207 418 L C 1.744 178.601 176.870 -0.021 0.000 1.086 418 L CA 1.740 56.559 54.840 -0.035 0.000 0.760 418 L CB -0.294 41.699 42.059 -0.110 0.000 0.910 418 L HN 0.075 nan 8.230 nan 0.000 0.437 419 E N -1.195 118.960 120.200 -0.074 0.000 2.085 419 E HA -0.313 4.323 4.350 0.476 0.000 0.194 419 E C 2.349 179.066 176.600 0.196 0.000 0.994 419 E CA 1.631 58.016 56.400 -0.026 0.000 0.801 419 E CB -0.456 29.251 29.700 0.012 0.000 0.743 419 E HN 0.709 nan 8.360 nan 0.000 0.453 420 C N 0.284 119.693 119.300 0.182 0.000 2.432 420 C HA -0.176 4.569 4.460 0.476 0.000 0.277 420 C C 2.479 177.660 174.990 0.319 0.000 1.249 420 C CA 0.760 59.941 59.018 0.272 0.000 1.725 420 C CB -1.153 26.760 27.740 0.288 0.000 2.028 420 C HN 0.478 nan 8.230 nan 0.000 0.477 421 F N 2.523 122.467 119.950 -0.009 0.000 2.102 421 F HA 0.198 5.010 4.527 0.475 0.000 0.298 421 F C 1.671 177.385 175.800 -0.145 0.000 1.105 421 F CA 0.940 58.715 58.000 -0.375 0.000 1.239 421 F CB -1.066 37.645 39.000 -0.482 0.000 0.991 421 F HN 0.343 nan 8.300 nan 0.000 0.474 425 N N 1.038 119.713 118.700 -0.042 0.000 2.697 425 N HA 0.119 5.145 4.740 0.476 0.000 0.253 425 N C 0.409 175.893 175.510 -0.043 0.000 1.604 425 N CA 0.449 53.416 53.050 -0.138 0.000 0.772 425 N CB 1.441 39.598 38.487 -0.550 0.000 1.267 425 N HN 0.260 nan 8.380 nan 0.000 0.510 426 S N -2.163 113.573 115.700 0.060 0.000 2.648 426 S HA 0.103 4.859 4.470 0.476 0.000 0.270 426 S C 0.226 174.903 174.600 0.127 0.000 1.082 426 S CA -0.155 58.109 58.200 0.107 0.000 1.116 426 S CB 0.986 64.246 63.200 0.100 0.000 1.040 426 S HN 0.180 nan 8.310 nan 0.000 0.572 427 D N 0.796 121.265 120.400 0.116 0.000 2.348 427 D HA 0.531 5.457 4.640 0.476 0.000 0.249 427 D C 0.552 176.863 176.300 0.019 0.000 1.110 427 D CA -0.525 53.523 54.000 0.080 0.000 0.967 427 D CB 1.090 41.939 40.800 0.082 0.000 1.139 427 D HN 0.046 nan 8.370 nan 0.000 0.466 428 L N 1.140 122.306 121.223 -0.095 0.000 2.554 428 L HA 0.393 5.019 4.340 0.476 0.000 0.225 428 L C 1.344 177.847 176.870 -0.612 0.000 1.104 428 L CA 0.622 55.254 54.840 -0.347 0.000 0.866 428 L CB -0.696 41.293 42.059 -0.116 0.000 1.047 428 L HN 0.737 nan 8.230 nan 0.000 0.468 429 G N -0.111 108.534 108.800 -0.259 0.000 2.860 429 G HA2 -0.176 4.070 3.960 0.476 0.000 0.553 429 G HA3 -0.176 4.070 3.960 0.476 0.000 0.553 429 G C -2.651 172.227 174.900 -0.038 0.000 1.439 429 G CA -0.972 44.072 45.100 -0.094 0.000 0.879 429 G HN 0.023 nan 8.290 nan 0.000 0.545 430 P HA 0.342 nan 4.420 nan 0.000 0.269 430 P C -0.021 177.311 177.300 0.054 0.000 1.209 430 P CA 0.184 63.311 63.100 0.045 0.000 0.776 430 P CB 0.592 32.324 31.700 0.053 0.000 0.876 431 N N -1.130 117.619 118.700 0.081 0.000 2.710 431 N HA 0.384 5.410 4.740 0.476 0.000 0.257 431 N C 0.866 176.418 175.510 0.071 0.000 1.327 431 N CA -1.020 52.094 53.050 0.108 0.000 0.861 431 N CB 0.019 38.639 38.487 0.221 0.000 1.532 431 N HN 0.203 nan 8.380 nan 0.000 0.499 432 G N -1.102 107.694 108.800 -0.006 0.000 2.498 432 G HA2 -0.221 4.025 3.960 0.476 0.000 0.219 432 G HA3 -0.221 4.025 3.960 0.476 0.000 0.219 432 G C 0.425 175.239 174.900 -0.142 0.000 1.119 432 G CA 0.713 45.751 45.100 -0.104 0.000 0.766 432 G HN 0.686 nan 8.290 nan 0.000 0.552 433 H N -0.062 119.001 119.070 -0.012 0.000 2.548 433 H HA 0.158 4.999 4.556 0.475 0.000 0.265 433 H C 2.263 177.602 175.328 0.017 0.000 0.969 433 H CA 0.364 56.357 56.048 -0.091 0.000 1.155 433 H CB 0.178 29.736 29.762 -0.340 0.000 1.394 433 H HN 0.390 nan 8.280 nan 0.000 0.570 434 G N 0.650 109.554 108.800 0.173 0.000 2.153 434 G HA2 -0.314 3.932 3.960 0.476 0.000 0.252 434 G HA3 -0.314 3.932 3.960 0.476 0.000 0.252 434 G C -0.185 174.827 174.900 0.188 0.000 0.994 434 G CA 0.428 45.612 45.100 0.141 0.000 0.698 434 G HN 0.501 nan 8.290 nan 0.000 0.521 435 Y N 1.437 121.798 120.300 0.101 0.000 2.341 435 Y HA 0.746 5.583 4.550 0.479 0.000 0.337 435 Y C 0.348 176.294 175.900 0.077 0.000 1.014 435 Y CA -1.202 56.945 58.100 0.078 0.000 1.111 435 Y CB 0.839 39.353 38.460 0.090 0.000 1.194 435 Y HN 0.170 nan 8.280 nan 0.000 0.462 436 R N 4.993 125.285 120.500 -0.347 0.000 2.837 436 R HA 0.585 5.211 4.340 0.476 0.000 0.271 436 R C -1.050 175.022 176.300 -0.381 0.000 0.993 436 R CA -1.112 54.849 56.100 -0.231 0.000 0.931 436 R CB 2.158 32.401 30.300 -0.094 0.000 1.206 436 R HN 0.710 nan 8.270 nan 0.000 0.474 437 R N 0.918 121.323 120.500 -0.159 0.000 2.854 437 R HA 0.346 4.972 4.340 0.476 0.000 0.271 437 R C -0.249 176.077 176.300 0.043 0.000 0.994 437 R CA -0.927 55.138 56.100 -0.059 0.000 0.945 437 R CB 1.700 31.998 30.300 -0.002 0.000 1.194 437 R HN 0.582 nan 8.270 nan 0.000 0.476 438 E N 1.671 121.932 120.200 0.102 0.000 2.415 438 E HA 0.007 4.643 4.350 0.476 0.000 0.262 438 E C -0.315 176.323 176.600 0.062 0.000 1.038 438 E CA 0.572 57.005 56.400 0.055 0.000 0.921 438 E CB 0.769 30.467 29.700 -0.003 0.000 0.950 438 E HN 0.366 nan 8.360 nan 0.000 0.438 439 E N 1.250 121.492 120.200 0.071 0.000 2.352 439 E HA 0.248 4.883 4.350 0.476 0.000 0.280 439 E C -1.295 175.374 176.600 0.114 0.000 0.930 439 E CA -0.409 56.047 56.400 0.093 0.000 0.765 439 E CB 1.341 31.112 29.700 0.119 0.000 1.219 439 E HN 0.547 nan 8.360 nan 0.000 0.434 443 I N -1.175 119.419 120.570 0.040 0.000 3.883 443 I HA 0.291 4.747 4.170 0.476 0.000 0.326 443 I C 2.104 178.234 176.117 0.023 0.000 1.283 443 I CA -0.086 61.226 61.300 0.019 0.000 1.161 443 I CB 0.335 38.337 38.000 0.002 0.000 1.012 443 I HN -0.086 nan 8.210 nan 0.000 0.421 444 Q N 2.615 122.438 119.800 0.038 0.000 2.084 444 Q HA -0.104 4.522 4.340 0.476 0.000 0.202 444 Q C -0.454 175.575 176.000 0.049 0.000 0.978 444 Q CA 2.306 58.138 55.803 0.048 0.000 0.844 444 Q CB -1.114 27.654 28.738 0.049 0.000 0.898 444 Q HN 0.390 nan 8.270 nan 0.000 0.426 445 P HA -0.052 nan 4.420 nan 0.000 0.215 445 P C 1.041 178.381 177.300 0.066 0.000 1.157 445 P CA 2.068 65.197 63.100 0.048 0.000 0.863 445 P CB -0.437 31.282 31.700 0.032 0.000 0.787 446 A N 0.312 123.163 122.820 0.052 0.000 1.892 446 A HA -0.207 4.399 4.320 0.476 0.000 0.218 446 A C 2.365 180.009 177.584 0.100 0.000 1.188 446 A CA 2.527 54.604 52.037 0.066 0.000 0.631 446 A CB -1.698 17.309 19.000 0.013 0.000 0.822 446 A HN 0.203 nan 8.150 nan 0.000 0.447 447 A N -0.610 122.249 122.820 0.065 0.000 1.883 447 A HA -0.231 4.375 4.320 0.476 0.000 0.217 447 A C 2.064 179.757 177.584 0.180 0.000 1.186 447 A CA 1.968 54.066 52.037 0.102 0.000 0.624 447 A CB -0.606 18.434 19.000 0.066 0.000 0.822 447 A HN 0.673 nan 8.150 nan 0.000 0.444 448 E N -0.773 119.507 120.200 0.134 0.000 2.150 448 E HA -0.148 4.488 4.350 0.476 0.000 0.193 448 E C 2.293 178.978 176.600 0.141 0.000 0.985 448 E CA 0.680 57.157 56.400 0.128 0.000 0.814 448 E CB -0.025 29.731 29.700 0.093 0.000 0.752 448 E HN 0.577 nan 8.360 nan 0.000 0.466 449 R N -0.419 120.174 120.500 0.155 0.000 2.057 449 R HA -0.096 4.530 4.340 0.476 0.000 0.229 449 R C 2.322 178.747 176.300 0.209 0.000 1.136 449 R CA 1.330 57.527 56.100 0.163 0.000 0.952 449 R CB -0.509 29.886 30.300 0.158 0.000 0.848 449 R HN 0.213 nan 8.270 nan 0.000 0.430 450 F N 1.565 121.585 119.950 0.117 0.000 2.091 450 F HA -0.266 4.547 4.527 0.476 0.000 0.299 450 F C 2.001 177.906 175.800 0.175 0.000 1.103 450 F CA 1.452 59.527 58.000 0.125 0.000 1.228 450 F CB -0.278 38.731 39.000 0.015 0.000 0.984 450 F HN -0.041 nan 8.300 nan 0.000 0.477 451 L N 0.774 122.106 121.223 0.180 0.000 2.109 451 L HA -0.085 4.541 4.340 0.476 0.000 0.207 451 L C 2.396 179.326 176.870 0.099 0.000 1.086 451 L CA 1.986 56.903 54.840 0.128 0.000 0.760 451 L CB -1.116 41.078 42.059 0.225 0.000 0.910 451 L HN 0.205 nan 8.230 nan 0.000 0.437 452 K N -0.322 120.138 120.400 0.101 0.000 1.991 452 K HA -0.180 4.426 4.320 0.476 0.000 0.212 452 K C 2.029 178.674 176.600 0.076 0.000 1.049 452 K CA 1.816 58.153 56.287 0.084 0.000 0.932 452 K CB -0.502 32.048 32.500 0.084 0.000 0.717 452 K HN 0.352 nan 8.250 nan 0.000 0.441 453 A N 0.522 123.394 122.820 0.087 0.000 1.849 453 A HA -0.211 4.394 4.320 0.476 0.000 0.217 453 A C 2.190 179.846 177.584 0.120 0.000 1.202 453 A CA 1.921 54.021 52.037 0.104 0.000 0.629 453 A CB -1.224 17.868 19.000 0.154 0.000 0.834 453 A HN 0.536 nan 8.150 nan 0.000 0.447 454 F N 0.741 120.632 119.950 -0.097 0.000 2.095 454 F HA -0.181 4.631 4.527 0.476 0.000 0.298 454 F C 2.230 178.098 175.800 0.113 0.000 1.104 454 F CA 2.253 60.218 58.000 -0.058 0.000 1.232 454 F CB -0.274 38.473 39.000 -0.422 0.000 0.987 454 F HN 0.150 nan 8.300 nan 0.000 0.475 455 K N -0.010 120.384 120.400 -0.011 0.000 2.147 455 K HA -0.208 4.398 4.320 0.476 0.000 0.205 455 K C 1.747 178.357 176.600 0.017 0.000 1.049 455 K CA 1.721 57.977 56.287 -0.052 0.000 0.936 455 K CB -0.335 32.174 32.500 0.015 0.000 0.722 455 K HN 0.591 nan 8.250 nan 0.000 0.446 456 E N -0.630 119.586 120.200 0.026 0.000 2.474 456 E HA 0.050 4.686 4.350 0.476 0.000 0.195 456 E C 0.732 177.329 176.600 -0.005 0.000 1.039 456 E CA 0.510 56.923 56.400 0.023 0.000 0.881 456 E CB 0.380 30.094 29.700 0.023 0.000 0.970 456 E HN 0.240 nan 8.360 nan 0.000 0.486 457 G N 1.864 110.647 108.800 -0.027 0.000 2.155 457 G HA2 -0.361 3.884 3.960 0.476 0.000 0.257 457 G HA3 -0.361 3.884 3.960 0.476 0.000 0.257 457 G C 0.197 175.065 174.900 -0.052 0.000 0.983 457 G CA 0.673 45.711 45.100 -0.104 0.000 0.676 457 G HN 0.390 nan 8.290 nan 0.000 0.528 458 K N 0.705 121.105 120.400 -0.000 0.000 2.185 458 K HA 0.470 5.075 4.320 0.476 0.000 0.271 458 K C 0.593 177.217 176.600 0.041 0.000 1.013 458 K CA -0.513 55.781 56.287 0.013 0.000 0.943 458 K CB 0.178 32.695 32.500 0.027 0.000 0.998 458 K HN 0.319 nan 8.250 nan 0.000 0.468 459 N N 2.333 121.032 118.700 -0.001 0.000 2.492 459 N HA 0.068 5.093 4.740 0.476 0.000 0.262 459 N C -1.036 174.480 175.510 0.010 0.000 1.202 459 N CA -0.164 52.852 53.050 -0.056 0.000 0.926 459 N CB 0.192 38.607 38.487 -0.119 0.000 1.078 459 N HN 0.464 nan 8.380 nan 0.000 0.454 460 Y N -0.638 119.722 120.300 0.100 0.000 2.335 460 Y HA 0.367 5.203 4.550 0.477 0.000 0.323 460 Y C 0.220 176.212 175.900 0.154 0.000 1.224 460 Y CA -1.519 56.666 58.100 0.141 0.000 1.241 460 Y CB 0.490 39.065 38.460 0.191 0.000 1.235 460 Y HN 0.364 nan 8.280 nan 0.000 0.492 461 D N 2.062 122.680 120.400 0.363 0.000 2.389 461 D HA -0.006 4.920 4.640 0.476 0.000 0.247 461 D C 0.847 177.371 176.300 0.373 0.000 1.128 461 D CA -0.008 54.144 54.000 0.252 0.000 0.884 461 D CB 1.370 42.285 40.800 0.192 0.000 1.194 461 D HN 0.863 nan 8.370 nan 0.000 0.441 462 K N 3.135 123.667 120.400 0.220 0.000 2.063 462 K HA -0.212 4.394 4.320 0.476 0.000 0.208 462 K C 1.681 178.432 176.600 0.251 0.000 1.048 462 K CA 1.555 57.982 56.287 0.234 0.000 0.928 462 K CB -0.127 32.434 32.500 0.101 0.000 0.713 462 K HN 0.443 nan 8.250 nan 0.000 0.442 463 A N 1.432 124.353 122.820 0.169 0.000 1.940 463 A HA -0.212 4.394 4.320 0.476 0.000 0.219 463 A C 1.649 179.304 177.584 0.119 0.000 1.176 463 A CA 2.111 54.218 52.037 0.117 0.000 0.631 463 A CB -0.627 18.417 19.000 0.073 0.000 0.814 463 A HN 0.453 nan 8.150 nan 0.000 0.446 464 D N -1.195 119.308 120.400 0.171 0.000 2.097 464 D HA -0.119 4.806 4.640 0.476 0.000 0.195 464 D C 1.605 177.931 176.300 0.043 0.000 0.989 464 D CA 1.146 55.224 54.000 0.130 0.000 0.827 464 D CB -0.492 40.445 40.800 0.228 0.000 0.966 464 D HN 0.485 nan 8.370 nan 0.000 0.456 465 F N 1.814 121.760 119.950 -0.007 0.000 2.126 465 F HA -0.182 4.631 4.527 0.477 0.000 0.299 465 F C 2.261 177.981 175.800 -0.135 0.000 1.096 465 F CA 1.556 59.452 58.000 -0.174 0.000 1.255 465 F CB 0.068 39.103 39.000 0.059 0.000 0.997 465 F HN -0.086 nan 8.300 nan 0.000 0.479 466 E N -0.716 119.587 120.200 0.173 0.000 2.150 466 E HA -0.181 4.455 4.350 0.476 0.000 0.193 466 E C 1.877 178.451 176.600 -0.044 0.000 0.985 466 E CA 1.753 58.204 56.400 0.085 0.000 0.814 466 E CB -0.321 29.449 29.700 0.117 0.000 0.752 466 E HN 0.378 nan 8.360 nan 0.000 0.466 467 T N 1.620 116.124 114.554 -0.082 0.000 2.770 467 T HA -0.024 4.612 4.350 0.476 0.000 0.263 467 T C 1.994 176.557 174.700 -0.228 0.000 1.039 467 T CA 1.063 63.105 62.100 -0.097 0.000 1.142 467 T CB -0.128 68.692 68.868 -0.081 0.000 0.868 467 T HN 0.144 nan 8.240 nan 0.000 0.435 468 L N 0.765 121.730 121.223 -0.430 0.000 2.046 468 L HA -0.161 4.465 4.340 0.476 0.000 0.208 468 L C 2.858 179.125 176.870 -1.006 0.000 1.077 468 L CA 1.469 55.822 54.840 -0.810 0.000 0.747 468 L CB -0.582 40.965 42.059 -0.854 0.000 0.896 468 L HN 0.299 nan 8.230 nan 0.000 0.432 469 Q N -0.630 118.804 119.800 -0.610 0.000 2.061 469 Q HA -0.286 4.340 4.340 0.476 0.000 0.204 469 Q C 2.244 178.116 176.000 -0.213 0.000 0.984 469 Q CA 2.160 57.754 55.803 -0.350 0.000 0.846 469 Q CB -0.302 28.314 28.738 -0.202 0.000 0.902 469 Q HN 0.485 nan 8.270 nan 0.000 0.421 470 Y N 0.537 120.687 120.300 -0.250 0.000 2.207 470 Y HA -0.235 4.600 4.550 0.476 0.000 0.287 470 Y C 2.142 177.936 175.900 -0.176 0.000 1.156 470 Y CA 2.045 60.051 58.100 -0.156 0.000 1.182 470 Y CB -0.506 37.885 38.460 -0.116 0.000 0.979 470 Y HN 0.065 nan 8.280 nan 0.000 0.521 471 T N 0.937 115.266 114.554 -0.375 0.000 2.708 471 T HA -0.160 4.476 4.350 0.476 0.000 0.266 471 T C 1.504 175.979 174.700 -0.375 0.000 1.037 471 T CA 1.818 63.654 62.100 -0.440 0.000 1.146 471 T CB -0.579 68.000 68.868 -0.482 0.000 0.865 471 T HN 0.274 nan 8.240 nan 0.000 0.435 472 F N 1.512 121.297 119.950 -0.275 0.000 2.134 472 F HA 0.025 4.838 4.527 0.476 0.000 0.299 472 F C 2.478 178.131 175.800 -0.246 0.000 1.097 472 F CA 0.406 58.237 58.000 -0.281 0.000 1.264 472 F CB -0.997 37.843 39.000 -0.267 0.000 1.001 472 F HN 0.257 nan 8.300 nan 0.000 0.479 473 E N 0.339 120.500 120.200 -0.065 0.000 2.077 473 E HA -0.208 4.428 4.350 0.476 0.000 0.193 473 E C 1.530 178.045 176.600 -0.143 0.000 0.989 473 E CA 0.458 56.801 56.400 -0.096 0.000 0.800 473 E CB 0.097 29.738 29.700 -0.099 0.000 0.746 473 E HN 0.094 nan 8.360 nan 0.000 0.452 477 E N 1.759 121.971 120.200 0.019 0.000 2.058 477 E HA -0.126 4.510 4.350 0.476 0.000 0.194 477 E C 1.672 178.296 176.600 0.041 0.000 0.997 477 E CA 1.967 58.379 56.400 0.019 0.000 0.801 477 E CB -0.017 29.684 29.700 0.002 0.000 0.746 477 E HN 0.142 nan 8.360 nan 0.000 0.450 478 S N 0.620 116.372 115.700 0.086 0.000 2.370 478 S HA -0.210 4.546 4.470 0.476 0.000 0.226 478 S C 2.105 176.744 174.600 0.065 0.000 1.033 478 S CA 1.035 59.297 58.200 0.103 0.000 1.011 478 S CB -0.291 63.037 63.200 0.213 0.000 0.852 478 S HN 0.408 nan 8.310 nan 0.000 0.457 479 A N 2.228 125.134 122.820 0.143 0.000 1.858 479 A HA -0.184 4.422 4.320 0.476 0.000 0.216 479 A C 1.865 179.440 177.584 -0.016 0.000 1.190 479 A CA 1.808 53.888 52.037 0.072 0.000 0.617 479 A CB -0.779 18.351 19.000 0.216 0.000 0.827 479 A HN 0.378 nan 8.150 nan 0.000 0.443 480 D N -0.166 120.242 120.400 0.013 0.000 2.117 480 D HA -0.095 4.831 4.640 0.476 0.000 0.197 480 D C 1.893 178.176 176.300 -0.028 0.000 0.987 480 D CA 1.183 55.180 54.000 -0.005 0.000 0.829 480 D CB -0.302 40.503 40.800 0.008 0.000 0.961 480 D HN 0.524 nan 8.370 nan 0.000 0.460 481 I N 0.616 121.169 120.570 -0.028 0.000 2.202 481 I HA -0.214 4.242 4.170 0.476 0.000 0.242 481 I C 2.436 178.509 176.117 -0.072 0.000 1.091 481 I CA 0.599 61.875 61.300 -0.039 0.000 1.368 481 I CB -0.100 37.884 38.000 -0.027 0.000 1.058 481 I HN -0.059 nan 8.210 nan 0.000 0.410 482 L N 0.204 121.364 121.223 -0.106 0.000 2.083 482 L HA -0.151 4.475 4.340 0.476 0.000 0.209 482 L C 1.464 178.233 176.870 -0.168 0.000 1.083 482 L CA 0.691 55.431 54.840 -0.166 0.000 0.752 482 L CB -0.445 41.448 42.059 -0.276 0.000 0.899 482 L HN 0.183 nan 8.230 nan 0.000 0.433 486 T N -0.819 113.700 114.554 -0.058 0.000 3.084 486 T HA 0.167 4.802 4.350 0.476 0.000 0.270 486 T C 1.080 175.747 174.700 -0.055 0.000 1.008 486 T CA -0.076 61.992 62.100 -0.054 0.000 0.900 486 T CB 0.532 69.375 68.868 -0.042 0.000 1.084 486 T HN 0.571 nan 8.240 nan 0.000 0.538 487 E N 1.943 122.106 120.200 -0.061 0.000 2.072 487 E HA -0.063 4.573 4.350 0.476 0.000 0.190 487 E C 0.535 177.092 176.600 -0.072 0.000 0.982 487 E CA 0.625 56.988 56.400 -0.061 0.000 0.803 487 E CB 0.189 29.852 29.700 -0.062 0.000 0.755 487 E HN 0.343 nan 8.360 nan 0.000 0.453 488 N N 0.157 118.805 118.700 -0.086 0.000 2.716 488 N HA 0.095 5.121 4.740 0.476 0.000 0.253 488 N C -0.332 175.118 175.510 -0.101 0.000 1.170 488 N CA -0.112 52.877 53.050 -0.100 0.000 0.807 488 N CB 0.792 39.207 38.487 -0.121 0.000 1.183 488 N HN 0.002 nan 8.380 nan 0.000 0.524 489 K N 1.094 121.443 120.400 -0.085 0.000 2.026 489 K HA -0.053 4.553 4.320 0.476 0.000 0.208 489 K C -0.988 175.562 176.600 -0.083 0.000 1.048 489 K CA 1.427 57.668 56.287 -0.077 0.000 0.929 489 K CB -0.384 32.081 32.500 -0.059 0.000 0.713 489 K HN 0.367 nan 8.250 nan 0.000 0.439 490 P HA -0.168 nan 4.420 nan 0.000 0.217 490 P C 1.319 178.553 177.300 -0.110 0.000 1.150 490 P CA 0.823 63.867 63.100 -0.094 0.000 0.832 490 P CB 0.074 31.706 31.700 -0.113 0.000 0.787 491 L N -0.746 120.397 121.223 -0.134 0.000 2.012 491 L HA -0.151 4.474 4.340 0.476 0.000 0.210 491 L C 1.993 178.780 176.870 -0.138 0.000 1.073 491 L CA 2.037 56.789 54.840 -0.147 0.000 0.748 491 L CB -1.214 40.748 42.059 -0.162 0.000 0.891 491 L HN -0.150 nan 8.230 nan 0.000 0.431 492 I N -0.990 119.501 120.570 -0.132 0.000 2.315 492 I HA -0.194 4.262 4.170 0.476 0.000 0.248 492 I C 2.595 178.644 176.117 -0.114 0.000 1.117 492 I CA 1.036 62.251 61.300 -0.142 0.000 1.404 492 I CB -1.355 36.566 38.000 -0.131 0.000 1.071 492 I HN 0.121 nan 8.210 nan 0.000 0.419 493 V N 1.129 120.995 119.914 -0.080 0.000 2.287 493 V HA -0.271 4.134 4.120 0.476 0.000 0.248 493 V C 2.462 178.542 176.094 -0.025 0.000 1.053 493 V CA 1.751 64.025 62.300 -0.044 0.000 1.027 493 V CB -0.703 31.105 31.823 -0.025 0.000 0.646 493 V HN 0.431 nan 8.190 nan 0.000 0.447 494 E N 0.360 120.533 120.200 -0.045 0.000 2.058 494 E HA -0.230 4.406 4.350 0.476 0.000 0.194 494 E C 2.073 178.619 176.600 -0.089 0.000 0.997 494 E CA 1.998 58.361 56.400 -0.060 0.000 0.801 494 E CB -0.281 29.355 29.700 -0.107 0.000 0.746 494 E HN 0.826 nan 8.360 nan 0.000 0.450 495 I N -1.862 118.650 120.570 -0.097 0.000 3.419 495 I HA 0.045 4.501 4.170 0.476 0.000 0.286 495 I C 1.907 178.053 176.117 0.049 0.000 1.268 495 I CA 0.401 61.687 61.300 -0.025 0.000 1.414 495 I CB -0.054 37.864 38.000 -0.138 0.000 1.074 495 I HN -0.149 nan 8.210 nan 0.000 0.457 496 T N 2.770 117.291 114.554 -0.055 0.000 2.653 496 T HA -0.089 4.547 4.350 0.476 0.000 0.268 496 T C -0.346 174.250 174.700 -0.173 0.000 1.035 496 T CA 2.444 64.433 62.100 -0.184 0.000 1.154 496 T CB -1.117 67.656 68.868 -0.158 0.000 0.862 496 T HN 0.371 nan 8.240 nan 0.000 0.441 497 P HA -0.085 nan 4.420 nan 0.000 0.215 497 P C 1.321 178.560 177.300 -0.102 0.000 1.153 497 P CA 0.999 64.043 63.100 -0.093 0.000 0.853 497 P CB -0.193 31.318 31.700 -0.315 0.000 0.788 498 W N -0.725 120.578 121.300 0.005 0.000 2.402 498 W HA -0.080 4.865 4.660 0.475 0.000 0.286 498 W C 1.934 178.566 176.519 0.188 0.000 1.221 498 W CA 0.679 58.100 57.345 0.126 0.000 1.257 498 W CB -0.986 28.600 29.460 0.210 0.000 1.120 498 W HN -0.180 nan 8.180 nan 0.000 0.551 499 V N -0.199 119.788 119.914 0.122 0.000 2.358 499 V HA -0.302 4.104 4.120 0.476 0.000 0.246 499 V C 2.258 178.400 176.094 0.081 0.000 1.047 499 V CA 1.774 64.015 62.300 -0.098 0.000 1.035 499 V CB -1.037 30.506 31.823 -0.466 0.000 0.658 499 V HN 0.133 nan 8.190 nan 0.000 0.452 500 H N -0.252 118.857 119.070 0.066 0.000 2.352 500 H HA -0.197 4.644 4.556 0.476 0.000 0.299 500 H C 2.375 177.742 175.328 0.064 0.000 1.097 500 H CA 2.175 58.248 56.048 0.041 0.000 1.311 500 H CB -0.214 29.545 29.762 -0.006 0.000 1.377 500 H HN 0.407 nan 8.280 nan 0.000 0.504 501 Q N -0.044 119.877 119.800 0.202 0.000 2.167 501 Q HA -0.094 4.532 4.340 0.476 0.000 0.202 501 Q C 2.141 178.260 176.000 0.198 0.000 0.970 501 Q CA 0.911 56.794 55.803 0.133 0.000 0.855 501 Q CB -0.418 28.354 28.738 0.056 0.000 0.911 501 Q HN 0.337 nan 8.270 nan 0.000 0.438 502 F N 0.644 120.683 119.950 0.149 0.000 2.146 502 F HA -0.078 4.735 4.527 0.477 0.000 0.298 502 F C 2.062 177.914 175.800 0.087 0.000 1.096 502 F CA 1.638 59.743 58.000 0.175 0.000 1.275 502 F CB -0.135 39.097 39.000 0.386 0.000 1.008 502 F HN 0.005 nan 8.300 nan 0.000 0.480 503 K N 0.385 120.893 120.400 0.180 0.000 2.026 503 K HA -0.180 4.426 4.320 0.476 0.000 0.208 503 K C 2.164 178.720 176.600 -0.074 0.000 1.048 503 K CA 1.835 58.136 56.287 0.025 0.000 0.929 503 K CB -0.415 32.139 32.500 0.090 0.000 0.713 503 K HN 0.357 nan 8.250 nan 0.000 0.439 504 L N 0.470 121.669 121.223 -0.039 0.000 2.042 504 L HA -0.199 4.427 4.340 0.476 0.000 0.210 504 L C 2.465 179.219 176.870 -0.193 0.000 1.076 504 L CA 1.638 56.415 54.840 -0.105 0.000 0.749 504 L CB -0.657 41.364 42.059 -0.063 0.000 0.893 504 L HN 0.293 nan 8.230 nan 0.000 0.432 505 T N -0.129 114.316 114.554 -0.182 0.000 2.684 505 T HA -0.226 4.409 4.350 0.476 0.000 0.267 505 T C 1.991 176.443 174.700 -0.412 0.000 1.036 505 T CA 1.475 63.420 62.100 -0.259 0.000 1.148 505 T CB -0.306 68.449 68.868 -0.188 0.000 0.863 505 T HN 0.470 nan 8.240 nan 0.000 0.436 506 A N 1.481 124.056 122.820 -0.408 0.000 1.902 506 A HA -0.048 4.558 4.320 0.476 0.000 0.217 506 A C 1.364 178.672 177.584 -0.460 0.000 1.181 506 A CA 0.986 52.760 52.037 -0.439 0.000 0.623 506 A CB -0.369 18.448 19.000 -0.306 0.000 0.818 506 A HN 0.570 nan 8.150 nan 0.000 0.443 510 E N 0.682 120.500 120.200 -0.636 0.000 2.058 510 E HA -0.110 4.526 4.350 0.476 0.000 0.194 510 E C 2.108 178.598 176.600 -0.183 0.000 0.997 510 E CA 1.253 57.520 56.400 -0.222 0.000 0.801 510 E CB 0.056 29.664 29.700 -0.153 0.000 0.746 510 E HN 0.355 nan 8.360 nan 0.000 0.450 511 E N 0.282 120.317 120.200 -0.274 0.000 2.107 511 E HA -0.102 4.534 4.350 0.476 0.000 0.191 511 E C 2.290 178.791 176.600 -0.165 0.000 0.982 511 E CA 0.496 56.759 56.400 -0.230 0.000 0.809 511 E CB -0.121 29.360 29.700 -0.366 0.000 0.756 511 E HN 0.122 nan 8.360 nan 0.000 0.459 512 V N 1.611 121.411 119.914 -0.190 0.000 2.427 512 V HA -0.202 4.204 4.120 0.476 0.000 0.248 512 V C 2.424 178.525 176.094 0.013 0.000 1.051 512 V CA 1.174 63.434 62.300 -0.067 0.000 1.048 512 V CB -0.418 31.361 31.823 -0.072 0.000 0.666 512 V HN 0.205 nan 8.190 nan 0.000 0.456 513 L N -0.910 120.297 121.223 -0.027 0.000 2.156 513 L HA -0.062 4.564 4.340 0.476 0.000 0.208 513 L C 1.527 178.565 176.870 0.280 0.000 1.095 513 L CA 0.964 55.833 54.840 0.049 0.000 0.770 513 L CB -0.395 41.525 42.059 -0.232 0.000 0.914 513 L HN 0.268 nan 8.230 nan 0.000 0.439 517 E N 1.738 122.162 120.200 0.374 0.000 2.409 517 E HA 0.097 4.733 4.350 0.476 0.000 0.198 517 E C 1.330 178.103 176.600 0.289 0.000 1.024 517 E CA 0.543 57.103 56.400 0.268 0.000 0.861 517 E CB -0.168 29.668 29.700 0.226 0.000 0.788 517 E HN 0.703 nan 8.360 nan 0.000 0.521 518 G N 2.134 111.184 108.800 0.417 0.000 2.394 518 G HA2 -0.332 3.914 3.960 0.476 0.000 0.264 518 G HA3 -0.332 3.914 3.960 0.476 0.000 0.264 518 G C 0.446 175.542 174.900 0.327 0.000 0.282 518 G CA 0.648 46.040 45.100 0.486 0.000 1.090 518 G HN 0.269 nan 8.290 nan 0.000 0.486 519 R N 1.518 122.161 120.500 0.239 0.000 2.060 519 R HA 0.018 4.644 4.340 0.476 0.000 0.225 519 R C 1.404 177.799 176.300 0.159 0.000 1.155 519 R CA 1.804 57.956 56.100 0.087 0.000 0.930 519 R CB -0.067 30.140 30.300 -0.156 0.000 0.829 519 R HN 0.809 nan 8.270 nan 0.000 0.433 520 N N -1.576 117.254 118.700 0.216 0.000 2.697 520 N HA 0.067 5.092 4.740 0.476 0.000 0.272 520 N C -0.082 175.576 175.510 0.245 0.000 1.381 520 N CA -0.804 52.373 53.050 0.212 0.000 0.797 520 N CB 0.956 39.531 38.487 0.147 0.000 1.523 520 N HN -0.012 nan 8.380 nan 0.000 0.518 521 E N -0.111 120.154 120.200 0.109 0.000 2.058 521 E HA -0.287 4.349 4.350 0.476 0.000 0.194 521 E C 1.398 178.073 176.600 0.125 0.000 0.997 521 E CA 1.912 58.290 56.400 -0.037 0.000 0.801 521 E CB -0.125 29.365 29.700 -0.351 0.000 0.746 521 E HN 0.577 nan 8.360 nan 0.000 0.450 522 S N -0.871 114.906 115.700 0.128 0.000 2.356 522 S HA -0.232 4.524 4.470 0.476 0.000 0.223 522 S C 1.990 176.699 174.600 0.181 0.000 1.032 522 S CA 1.300 59.578 58.200 0.130 0.000 1.005 522 S CB -0.622 62.645 63.200 0.112 0.000 0.867 522 S HN 0.575 nan 8.310 nan 0.000 0.449 523 Y N 0.947 121.315 120.300 0.113 0.000 2.145 523 Y HA -0.100 4.736 4.550 0.476 0.000 0.286 523 Y C 2.001 177.982 175.900 0.136 0.000 1.145 523 Y CA 2.000 60.168 58.100 0.115 0.000 1.148 523 Y CB -0.869 37.668 38.460 0.128 0.000 0.981 523 Y HN 0.409 nan 8.280 nan 0.000 0.507 524 F N 0.040 120.079 119.950 0.148 0.000 2.154 524 F HA -0.282 4.531 4.527 0.476 0.000 0.301 524 F C 1.865 177.587 175.800 -0.131 0.000 1.087 524 F CA 1.741 59.747 58.000 0.010 0.000 1.274 524 F CB -0.320 38.697 39.000 0.027 0.000 1.009 524 F HN 0.065 nan 8.300 nan 0.000 0.485 525 L N -0.524 120.758 121.223 0.098 0.000 2.179 525 L HA -0.110 4.516 4.340 0.476 0.000 0.208 525 L C 2.558 179.426 176.870 -0.004 0.000 1.096 525 L CA 0.882 55.733 54.840 0.018 0.000 0.779 525 L CB -0.496 41.581 42.059 0.030 0.000 0.922 525 L HN 0.007 nan 8.230 nan 0.000 0.443 526 R N -0.148 120.315 120.500 -0.062 0.000 2.081 526 R HA -0.129 4.497 4.340 0.476 0.000 0.235 526 R C 2.314 178.522 176.300 -0.154 0.000 1.131 526 R CA 1.034 57.068 56.100 -0.110 0.000 0.960 526 R CB -0.076 30.131 30.300 -0.154 0.000 0.856 526 R HN 0.171 nan 8.270 nan 0.000 0.436 527 K N -0.046 120.191 120.400 -0.273 0.000 2.057 527 K HA -0.175 4.431 4.320 0.476 0.000 0.206 527 K C 1.959 178.444 176.600 -0.190 0.000 1.050 527 K CA 1.299 57.422 56.287 -0.274 0.000 0.935 527 K CB -0.560 31.700 32.500 -0.401 0.000 0.715 527 K HN 0.273 nan 8.250 nan 0.000 0.439 528 Y N 2.408 122.497 120.300 -0.351 0.000 2.181 528 Y HA -0.224 4.612 4.550 0.477 0.000 0.288 528 Y C 1.687 177.531 175.900 -0.093 0.000 1.146 528 Y CA 1.830 59.804 58.100 -0.211 0.000 1.164 528 Y CB -0.381 37.914 38.460 -0.275 0.000 0.982 528 Y HN 0.192 nan 8.280 nan 0.000 0.515 529 N N -1.392 117.292 118.700 -0.026 0.000 2.188 529 N HA -0.206 4.819 4.740 0.476 0.000 0.184 529 N C 1.804 177.244 175.510 -0.117 0.000 1.018 529 N CA 0.944 53.941 53.050 -0.089 0.000 0.858 529 N CB -0.414 38.073 38.487 0.000 0.000 0.989 529 N HN 0.509 nan 8.380 nan 0.000 0.426 530 H N 0.301 119.244 119.070 -0.211 0.000 2.352 530 H HA -0.092 4.750 4.556 0.476 0.000 0.299 530 H C 1.834 176.994 175.328 -0.279 0.000 1.097 530 H CA 1.013 56.928 56.048 -0.223 0.000 1.311 530 H CB 0.242 29.880 29.762 -0.207 0.000 1.377 530 H HN 0.012 nan 8.280 nan 0.000 0.504 531 V N 1.136 120.877 119.914 -0.288 0.000 2.358 531 V HA -0.212 4.193 4.120 0.476 0.000 0.246 531 V C 2.351 178.162 176.094 -0.472 0.000 1.047 531 V CA 1.508 63.527 62.300 -0.469 0.000 1.035 531 V CB -0.280 31.175 31.823 -0.612 0.000 0.658 531 V HN 0.361 nan 8.190 nan 0.000 0.452 532 K N 0.701 120.827 120.400 -0.456 0.000 2.097 532 K HA -0.076 4.529 4.320 0.476 0.000 0.206 532 K C 2.275 178.687 176.600 -0.314 0.000 1.049 532 K CA 1.617 57.675 56.287 -0.381 0.000 0.933 532 K CB -0.915 31.369 32.500 -0.360 0.000 0.717 532 K HN 0.478 nan 8.250 nan 0.000 0.442 533 A N 1.404 124.073 122.820 -0.252 0.000 1.902 533 A HA -0.103 4.503 4.320 0.476 0.000 0.217 533 A C 2.360 179.819 177.584 -0.208 0.000 1.181 533 A CA 1.169 53.077 52.037 -0.214 0.000 0.623 533 A CB -0.625 18.303 19.000 -0.120 0.000 0.818 533 A HN 0.185 nan 8.150 nan 0.000 0.443 534 L N -0.957 120.142 121.223 -0.206 0.000 2.083 534 L HA -0.258 4.367 4.340 0.476 0.000 0.209 534 L C 2.887 179.637 176.870 -0.201 0.000 1.083 534 L CA 1.578 56.289 54.840 -0.214 0.000 0.752 534 L CB -0.617 41.261 42.059 -0.301 0.000 0.899 534 L HN 0.488 nan 8.230 nan 0.000 0.433 535 Q N -0.414 119.243 119.800 -0.239 0.000 2.084 535 Q HA -0.263 4.363 4.340 0.476 0.000 0.202 535 Q C 2.290 178.236 176.000 -0.090 0.000 0.978 535 Q CA 1.612 57.320 55.803 -0.158 0.000 0.844 535 Q CB -0.084 28.552 28.738 -0.171 0.000 0.898 535 Q HN 0.575 nan 8.270 nan 0.000 0.426 536 Q N 0.162 119.790 119.800 -0.286 0.000 2.079 536 Q HA -0.103 4.523 4.340 0.476 0.000 0.200 536 Q C 0.658 176.610 176.000 -0.081 0.000 0.974 536 Q CA 0.688 56.224 55.803 -0.446 0.000 0.840 536 Q CB 0.092 28.359 28.738 -0.784 0.000 0.898 536 Q HN 0.422 nan 8.270 nan 0.000 0.430 540 Y N 2.172 122.474 120.300 0.004 0.000 2.165 540 Y HA -0.157 4.680 4.550 0.477 0.000 0.286 540 Y C 1.958 177.749 175.900 -0.182 0.000 1.155 540 Y CA 2.756 60.784 58.100 -0.119 0.000 1.164 540 Y CB -0.524 37.924 38.460 -0.020 0.000 0.978 540 Y HN 0.262 nan 8.280 nan 0.000 0.513 541 I N 0.190 120.651 120.570 -0.182 0.000 2.226 541 I HA -0.296 4.160 4.170 0.476 0.000 0.245 541 I C 2.046 177.951 176.117 -0.355 0.000 1.100 541 I CA 1.925 63.046 61.300 -0.298 0.000 1.374 541 I CB -0.482 37.437 38.000 -0.135 0.000 1.057 541 I HN 0.219 nan 8.210 nan 0.000 0.413 542 D N 0.050 120.265 120.400 -0.307 0.000 2.264 542 D HA -0.161 4.764 4.640 0.476 0.000 0.208 542 D C 2.057 178.130 176.300 -0.378 0.000 0.966 542 D CA 1.009 54.823 54.000 -0.311 0.000 0.864 542 D CB 0.195 40.855 40.800 -0.233 0.000 0.933 542 D HN 0.242 nan 8.370 nan 0.000 0.499 543 Q N -1.426 118.077 119.800 -0.496 0.000 2.378 543 Q HA 0.099 4.725 4.340 0.476 0.000 0.216 543 Q C 1.831 177.596 176.000 -0.392 0.000 0.892 543 Q CA 0.961 56.486 55.803 -0.464 0.000 0.931 543 Q CB 0.754 29.132 28.738 -0.600 0.000 1.086 543 Q HN 0.465 nan 8.270 nan 0.000 0.528 544 T N -3.632 110.633 114.554 -0.483 0.000 2.978 544 T HA 0.234 4.870 4.350 0.476 0.000 0.248 544 T C 0.999 175.502 174.700 -0.328 0.000 1.018 544 T CA -0.134 61.693 62.100 -0.456 0.000 1.026 544 T CB 0.325 68.720 68.868 -0.787 0.000 1.032 544 T HN -0.120 nan 8.240 nan 0.000 0.485 545 S N 2.667 118.166 115.700 -0.335 0.000 2.578 545 S HA 0.504 5.260 4.470 0.476 0.000 0.283 545 S C 0.089 174.542 174.600 -0.246 0.000 1.195 545 S CA -0.441 57.594 58.200 -0.274 0.000 1.050 545 S CB 0.910 63.917 63.200 -0.322 0.000 1.012 545 S HN 0.631 nan 8.310 nan 0.000 0.511 546 N N 1.940 120.540 118.700 -0.167 0.000 2.705 546 N HA -0.168 4.857 4.740 0.476 0.000 0.255 546 N C -0.830 174.644 175.510 -0.059 0.000 1.008 546 N CA 0.336 53.339 53.050 -0.078 0.000 0.742 546 N CB -0.708 37.705 38.487 -0.123 0.000 0.906 546 N HN 0.450 nan 8.380 nan 0.000 0.541 547 Q N 0.828 120.588 119.800 -0.067 0.000 2.844 547 Q HA 0.141 4.767 4.340 0.476 0.000 0.235 547 Q C 0.167 176.146 176.000 -0.035 0.000 1.336 547 Q CA -0.178 55.584 55.803 -0.069 0.000 1.026 547 Q CB -0.564 28.119 28.738 -0.092 0.000 1.513 547 Q HN 0.757 nan 8.270 nan 0.000 0.577 548 N N -0.674 118.023 118.700 -0.005 0.000 2.434 548 N HA 0.309 5.335 4.740 0.476 0.000 0.266 548 N C -2.108 173.344 175.510 -0.097 0.000 1.223 548 N CA -1.405 51.650 53.050 0.009 0.000 0.972 548 N CB 0.544 39.102 38.487 0.118 0.000 1.207 548 N HN -0.132 nan 8.380 nan 0.000 0.525 549 P HA -0.002 nan 4.420 nan 0.000 0.233 549 P C -0.220 176.687 177.300 -0.655 0.000 1.167 549 P CA 1.086 63.854 63.100 -0.554 0.000 0.770 549 P CB -0.029 31.148 31.700 -0.871 0.000 0.837 550 Y N -1.189 119.123 120.300 0.020 0.000 2.569 550 Y HA 0.273 5.109 4.550 0.476 0.000 0.278 550 Y C 0.762 176.680 175.900 0.030 0.000 1.130 550 Y CA 0.174 58.286 58.100 0.022 0.000 1.280 550 Y CB -0.360 38.117 38.460 0.028 0.000 1.379 550 Y HN -0.249 nan 8.280 nan 0.000 0.508 551 Q N 1.362 121.278 119.800 0.194 0.000 3.064 551 Q HA 0.312 4.937 4.340 0.476 0.000 0.258 551 Q C -2.853 173.205 176.000 0.096 0.000 0.972 551 Q CA -2.156 53.727 55.803 0.132 0.000 0.761 551 Q CB 1.419 30.251 28.738 0.157 0.000 1.281 551 Q HN 0.063 nan 8.270 nan 0.000 0.455 552 P HA 0.335 nan 4.420 nan 0.000 0.272 552 P C 0.503 177.777 177.300 -0.044 0.000 1.223 552 P CA 0.734 63.826 63.100 -0.013 0.000 0.784 552 P CB 1.181 32.847 31.700 -0.057 0.000 0.923 553 G N 0.210 108.949 108.800 -0.102 0.000 2.548 553 G HA2 -0.026 4.220 3.960 0.476 0.000 0.208 553 G HA3 -0.026 4.220 3.960 0.476 0.000 0.208 553 G C -1.505 173.238 174.900 -0.261 0.000 1.308 553 G CA -0.373 44.613 45.100 -0.189 0.000 0.924 553 G HN 0.531 nan 8.290 nan 0.000 0.540 554 V N 1.552 121.269 119.914 -0.329 0.000 2.462 554 V HA 0.561 4.966 4.120 0.476 0.000 0.288 554 V C -0.397 175.541 176.094 -0.260 0.000 1.020 554 V CA -1.041 60.943 62.300 -0.526 0.000 0.857 554 V CB 1.582 32.911 31.823 -0.824 0.000 1.013 554 V HN 0.730 nan 8.190 nan 0.000 0.431 555 K N 2.098 122.422 120.400 -0.128 0.000 2.207 555 K HA 0.834 5.439 4.320 0.476 0.000 0.255 555 K C -0.416 176.203 176.600 0.032 0.000 0.941 555 K CA -0.494 55.717 56.287 -0.127 0.000 0.825 555 K CB 2.560 34.823 32.500 -0.395 0.000 1.119 555 K HN 0.664 nan 8.250 nan 0.000 0.430 556 T N -0.798 113.805 114.554 0.082 0.000 2.889 556 T HA 0.456 5.092 4.350 0.476 0.000 0.315 556 T C -1.019 173.787 174.700 0.176 0.000 1.291 556 T CA 0.295 62.512 62.100 0.194 0.000 1.028 556 T CB 0.939 70.014 68.868 0.345 0.000 1.235 556 T HN 0.670 nan 8.240 nan 0.000 0.491 557 A N 1.723 124.673 122.820 0.217 0.000 2.704 557 A HA -0.171 4.435 4.320 0.476 0.000 0.299 557 A C 1.320 178.993 177.584 0.148 0.000 1.507 557 A CA 2.093 54.254 52.037 0.207 0.000 0.776 557 A CB -2.658 16.445 19.000 0.171 0.000 1.027 557 A HN 1.577 nan 8.150 nan 0.000 0.475 558 T N -2.963 111.689 114.554 0.164 0.000 3.043 558 T HA 0.039 4.675 4.350 0.476 0.000 0.263 558 T C 1.636 176.421 174.700 0.141 0.000 1.094 558 T CA 1.168 63.361 62.100 0.154 0.000 1.127 558 T CB -0.044 68.959 68.868 0.225 0.000 0.905 558 T HN 0.681 nan 8.240 nan 0.000 0.490 559 R N 0.332 120.918 120.500 0.143 0.000 2.075 559 R HA 0.111 4.737 4.340 0.476 0.000 0.226 559 R C 1.704 178.066 176.300 0.104 0.000 1.114 559 R CA 1.177 57.348 56.100 0.119 0.000 0.972 559 R CB 0.070 30.438 30.300 0.114 0.000 0.869 559 R HN 0.363 nan 8.270 nan 0.000 0.437 560 V N -0.564 119.416 119.914 0.110 0.000 3.029 560 V HA 0.042 4.448 4.120 0.476 0.000 0.230 560 V C 1.958 178.102 176.094 0.083 0.000 1.254 560 V CA 0.280 62.638 62.300 0.097 0.000 1.276 560 V CB 0.073 31.958 31.823 0.103 0.000 1.080 560 V HN 0.160 nan 8.190 nan 0.000 0.495 561 I N 0.531 121.145 120.570 0.074 0.000 2.193 561 I HA -0.171 4.284 4.170 0.476 0.000 0.240 561 I C 2.535 178.676 176.117 0.040 0.000 1.084 561 I CA 1.551 62.881 61.300 0.051 0.000 1.365 561 I CB -0.254 37.746 38.000 0.001 0.000 1.064 561 I HN 0.237 nan 8.210 nan 0.000 0.410 562 K N 1.348 121.769 120.400 0.035 0.000 2.026 562 K HA -0.114 4.491 4.320 0.476 0.000 0.208 562 K C -0.704 175.918 176.600 0.037 0.000 1.048 562 K CA 1.705 58.001 56.287 0.015 0.000 0.929 562 K CB -1.389 31.129 32.500 0.030 0.000 0.713 562 K HN 0.100 nan 8.250 nan 0.000 0.439 563 P HA -0.151 nan 4.420 nan 0.000 0.215 563 P C 1.290 178.645 177.300 0.091 0.000 1.153 563 P CA 0.996 64.143 63.100 0.078 0.000 0.853 563 P CB -0.034 31.717 31.700 0.084 0.000 0.788 564 L N -0.814 120.466 121.223 0.095 0.000 1.994 564 L HA -0.139 4.487 4.340 0.476 0.000 0.208 564 L C 2.222 179.164 176.870 0.120 0.000 1.071 564 L CA 1.846 56.760 54.840 0.123 0.000 0.745 564 L CB -1.227 40.902 42.059 0.116 0.000 0.892 564 L HN -0.155 nan 8.230 nan 0.000 0.431 565 I N -0.042 120.564 120.570 0.059 0.000 2.163 565 I HA -0.300 4.156 4.170 0.476 0.000 0.243 565 I C 2.120 178.274 176.117 0.062 0.000 1.085 565 I CA 1.503 62.802 61.300 -0.001 0.000 1.347 565 I CB -0.610 37.304 38.000 -0.144 0.000 1.044 565 I HN 0.332 nan 8.210 nan 0.000 0.408 566 D N 0.696 121.135 120.400 0.065 0.000 2.092 566 D HA -0.161 4.765 4.640 0.476 0.000 0.193 566 D C 2.372 178.786 176.300 0.189 0.000 0.994 566 D CA 1.362 55.434 54.000 0.122 0.000 0.828 566 D CB -0.268 40.585 40.800 0.088 0.000 0.963 566 D HN 0.259 nan 8.370 nan 0.000 0.450 567 R N -0.047 120.547 120.500 0.156 0.000 2.092 567 R HA -0.025 4.601 4.340 0.476 0.000 0.231 567 R C 2.330 178.749 176.300 0.198 0.000 1.119 567 R CA 1.288 57.480 56.100 0.155 0.000 0.970 567 R CB -0.353 30.029 30.300 0.136 0.000 0.864 567 R HN 0.139 nan 8.270 nan 0.000 0.440 568 T N 1.083 115.782 114.554 0.242 0.000 2.708 568 T HA -0.174 4.462 4.350 0.476 0.000 0.266 568 T C 1.369 176.247 174.700 0.297 0.000 1.037 568 T CA 1.375 63.653 62.100 0.296 0.000 1.146 568 T CB -0.357 68.664 68.868 0.255 0.000 0.865 568 T HN 0.170 nan 8.240 nan 0.000 0.435 569 F N 2.425 122.436 119.950 0.102 0.000 2.091 569 F HA -0.099 4.714 4.527 0.477 0.000 0.299 569 F C 2.436 178.311 175.800 0.126 0.000 1.103 569 F CA 1.119 59.170 58.000 0.085 0.000 1.228 569 F CB -0.779 38.228 39.000 0.011 0.000 0.984 569 F HN 0.147 nan 8.300 nan 0.000 0.477 570 A N -0.997 121.834 122.820 0.019 0.000 2.015 570 A HA -0.104 4.501 4.320 0.476 0.000 0.219 570 A C 2.167 179.670 177.584 -0.135 0.000 1.163 570 A CA 2.004 53.977 52.037 -0.107 0.000 0.646 570 A CB -1.268 17.748 19.000 0.027 0.000 0.806 570 A HN 0.459 nan 8.150 nan 0.000 0.448 571 T N -1.056 113.454 114.554 -0.072 0.000 2.732 571 T HA -0.085 4.550 4.350 0.476 0.000 0.261 571 T C 1.849 176.304 174.700 -0.408 0.000 1.040 571 T CA 1.370 63.300 62.100 -0.284 0.000 1.145 571 T CB -0.406 68.380 68.868 -0.137 0.000 0.866 571 T HN 0.156 nan 8.240 nan 0.000 0.427 572 V N 1.426 121.401 119.914 0.102 0.000 2.594 572 V HA -0.104 4.302 4.120 0.476 0.000 0.253 572 V C 2.354 178.631 176.094 0.305 0.000 1.069 572 V CA 1.312 63.825 62.300 0.355 0.000 1.082 572 V CB -0.367 31.809 31.823 0.589 0.000 0.680 572 V HN 0.313 nan 8.190 nan 0.000 0.469 573 V N 0.231 120.191 119.914 0.078 0.000 2.379 573 V HA -0.196 4.209 4.120 0.476 0.000 0.245 573 V C 2.440 178.585 176.094 0.085 0.000 1.044 573 V CA 2.276 64.625 62.300 0.081 0.000 1.036 573 V CB -0.623 31.076 31.823 -0.207 0.000 0.664 573 V HN 0.612 nan 8.190 nan 0.000 0.453 574 K N -0.067 120.305 120.400 -0.048 0.000 2.032 574 K HA -0.209 4.397 4.320 0.476 0.000 0.209 574 K C 2.152 178.808 176.600 0.094 0.000 1.048 574 K CA 1.970 58.233 56.287 -0.040 0.000 0.927 574 K CB -0.307 32.093 32.500 -0.166 0.000 0.712 574 K HN 0.345 nan 8.250 nan 0.000 0.441 575 F N 0.612 120.591 119.950 0.048 0.000 2.171 575 F HA -0.111 4.702 4.527 0.477 0.000 0.300 575 F C 2.281 178.097 175.800 0.027 0.000 1.090 575 F CA 0.588 58.596 58.000 0.014 0.000 1.293 575 F CB -1.188 37.827 39.000 0.025 0.000 1.013 575 F HN 0.071 nan 8.300 nan 0.000 0.486 576 F N 1.464 121.486 119.950 0.119 0.000 2.102 576 F HA -0.226 4.587 4.527 0.476 0.000 0.298 576 F C 2.179 178.009 175.800 0.051 0.000 1.105 576 F CA 1.612 59.605 58.000 -0.012 0.000 1.239 576 F CB -0.520 38.243 39.000 -0.395 0.000 0.991 576 F HN -0.150 nan 8.300 nan 0.000 0.474 577 N N 0.425 119.229 118.700 0.173 0.000 2.223 577 N HA -0.176 4.850 4.740 0.476 0.000 0.185 577 N C 1.742 177.197 175.510 -0.091 0.000 1.016 577 N CA 1.437 54.500 53.050 0.022 0.000 0.863 577 N CB -0.424 38.091 38.487 0.048 0.000 0.983 577 N HN 0.539 nan 8.380 nan 0.000 0.429 578 Q N 0.343 120.114 119.800 -0.049 0.000 2.020 578 Q HA -0.026 4.600 4.340 0.476 0.000 0.198 578 Q C 1.998 177.876 176.000 -0.204 0.000 0.974 578 Q CA 1.068 56.818 55.803 -0.089 0.000 0.829 578 Q CB -0.033 28.691 28.738 -0.024 0.000 0.894 578 Q HN 0.284 nan 8.270 nan 0.000 0.433 579 K N 0.109 120.332 120.400 -0.296 0.000 2.057 579 K HA -0.110 4.496 4.320 0.476 0.000 0.207 579 K C 0.736 176.862 176.600 -0.791 0.000 1.049 579 K CA 1.141 57.084 56.287 -0.572 0.000 0.931 579 K CB 0.120 32.176 32.500 -0.739 0.000 0.714 579 K HN 0.084 nan 8.250 nan 0.000 0.440 580 F N 0.981 120.634 119.950 -0.494 0.000 2.647 580 F HA 0.221 5.034 4.527 0.476 0.000 0.300 580 F C 0.148 175.736 175.800 -0.352 0.000 1.106 580 F CA -0.342 57.361 58.000 -0.495 0.000 1.313 580 F CB -0.246 38.241 39.000 -0.856 0.000 1.007 580 F HN 0.130 nan 8.300 nan 0.000 0.536 581 N N 1.217 119.802 118.700 -0.192 0.000 2.705 581 N HA -0.214 4.812 4.740 0.476 0.000 0.255 581 N C -0.304 175.046 175.510 -0.268 0.000 1.008 581 N CA 0.304 53.244 53.050 -0.184 0.000 0.742 581 N CB -0.556 37.859 38.487 -0.118 0.000 0.906 581 N HN 0.362 nan 8.380 nan 0.000 0.541 582 A N 0.290 122.935 122.820 -0.292 0.000 2.312 582 A HA 0.659 5.264 4.320 0.476 0.000 0.310 582 A C -0.173 177.122 177.584 -0.481 0.000 1.139 582 A CA -0.359 51.509 52.037 -0.281 0.000 0.886 582 A CB 0.754 19.765 19.000 0.019 0.000 1.350 582 A HN 0.607 nan 8.150 nan 0.000 0.479 583 H N -0.568 118.559 119.070 0.094 0.000 2.767 583 H HA 0.337 5.179 4.556 0.476 0.000 0.235 583 H C -0.810 174.563 175.328 0.074 0.000 1.256 583 H CA -0.372 55.721 56.048 0.075 0.000 0.957 583 H CB 0.067 29.865 29.762 0.060 0.000 2.117 583 H HN 0.356 nan 8.280 nan 0.000 0.602 584 L N 1.103 122.397 121.223 0.118 0.000 2.485 584 L HA 0.013 4.639 4.340 0.476 0.000 0.275 584 L C 0.551 177.504 176.870 0.138 0.000 1.207 584 L CA 0.090 54.952 54.840 0.037 0.000 0.855 584 L CB 0.426 42.328 42.059 -0.262 0.000 1.114 584 L HN 0.353 nan 8.230 nan 0.000 0.485 585 D N 1.921 122.467 120.400 0.243 0.000 2.343 585 D HA 0.204 5.130 4.640 0.476 0.000 0.255 585 D C 0.426 176.883 176.300 0.261 0.000 1.187 585 D CA -0.052 54.089 54.000 0.234 0.000 0.875 585 D CB 1.740 42.680 40.800 0.234 0.000 1.136 585 D HN 0.564 nan 8.370 nan 0.000 0.469 586 A N 3.185 126.092 122.820 0.145 0.000 2.307 586 A HA 0.140 4.746 4.320 0.476 0.000 0.218 586 A C 0.952 178.648 177.584 0.187 0.000 1.228 586 A CA 0.043 52.115 52.037 0.058 0.000 0.857 586 A CB -0.607 18.381 19.000 -0.020 0.000 0.897 586 A HN 0.610 nan 8.150 nan 0.000 0.495 587 T N -2.040 112.643 114.554 0.215 0.000 2.926 587 T HA 0.289 4.924 4.350 0.476 0.000 0.307 587 T C 1.086 175.932 174.700 0.244 0.000 1.059 587 T CA 0.597 62.807 62.100 0.183 0.000 1.122 587 T CB 1.096 70.028 68.868 0.107 0.000 0.972 587 T HN 0.424 nan 8.240 nan 0.000 0.545 588 T N -1.525 113.128 114.554 0.165 0.000 3.018 588 T HA 0.191 4.826 4.350 0.476 0.000 0.246 588 T C 0.135 174.848 174.700 0.020 0.000 1.026 588 T CA -0.113 62.058 62.100 0.118 0.000 1.081 588 T CB 0.159 69.108 68.868 0.135 0.000 0.970 588 T HN 0.614 nan 8.240 nan 0.000 0.475 589 D N 1.128 121.551 120.400 0.038 0.000 2.192 589 D HA 0.343 5.269 4.640 0.476 0.000 0.246 589 D C -0.869 175.445 176.300 0.023 0.000 1.042 589 D CA -0.504 53.519 54.000 0.038 0.000 0.847 589 D CB 1.639 42.469 40.800 0.051 0.000 1.186 589 D HN 0.194 nan 8.370 nan 0.000 0.461 593 H N 1.704 120.631 119.070 -0.239 0.000 2.472 593 H HA 0.584 5.426 4.556 0.476 0.000 0.335 593 H C 0.325 175.575 175.328 -0.130 0.000 1.136 593 H CA 0.087 56.053 56.048 -0.136 0.000 1.264 593 H CB 2.058 31.764 29.762 -0.094 0.000 1.486 593 H HN 0.101 nan 8.280 nan 0.000 0.517 605 L N 2.182 123.403 121.223 -0.003 0.000 2.452 605 L HA 0.420 5.045 4.340 0.476 0.000 0.267 605 L C -1.674 175.196 176.870 -0.001 0.000 1.188 605 L CA -1.206 53.634 54.840 -0.000 0.000 0.821 605 L CB 0.072 42.126 42.059 -0.009 0.000 1.102 605 L HN 0.094 nan 8.230 nan 0.000 0.470 606 P HA 0.317 nan 4.420 nan 0.000 0.292 606 P C -0.715 176.590 177.300 0.008 0.000 1.287 606 P CA -0.549 62.555 63.100 0.007 0.000 0.800 606 P CB 0.990 32.701 31.700 0.019 0.000 0.945 607 L N 2.368 123.592 121.223 0.001 0.000 2.473 607 L HA 0.157 4.783 4.340 0.476 0.000 0.268 607 L C 1.049 177.939 176.870 0.034 0.000 1.215 607 L CA 0.207 55.057 54.840 0.018 0.000 0.823 607 L CB -0.034 42.038 42.059 0.023 0.000 1.099 607 L HN 0.390 nan 8.230 nan 0.000 0.483 608 Q N 0.731 120.565 119.800 0.056 0.000 2.451 608 Q HA 0.608 5.234 4.340 0.476 0.000 0.281 608 Q C -1.504 174.555 176.000 0.098 0.000 1.099 608 Q CA -0.842 55.006 55.803 0.075 0.000 0.806 608 Q CB 3.136 31.910 28.738 0.059 0.000 1.419 608 Q HN 0.285 nan 8.270 nan 0.000 0.427 609 V N 2.125 122.112 119.914 0.123 0.000 2.444 609 V HA 0.431 4.837 4.120 0.476 0.000 0.294 609 V C -0.870 175.241 176.094 0.028 0.000 1.022 609 V CA -0.676 61.690 62.300 0.111 0.000 0.850 609 V CB 1.596 33.550 31.823 0.218 0.000 0.992 609 V HN 0.537 nan 8.190 nan 0.000 0.426 610 K N 3.845 124.245 120.400 -0.001 0.000 2.579 610 K HA 0.779 5.385 4.320 0.476 0.000 0.250 610 K C 0.431 176.999 176.600 -0.052 0.000 0.952 610 K CA 0.303 56.569 56.287 -0.034 0.000 0.857 610 K CB 1.663 34.151 32.500 -0.020 0.000 1.123 610 K HN 0.926 nan 8.250 nan 0.000 0.433 611 A N 3.447 126.222 122.820 -0.075 0.000 5.308 611 A HA -0.343 4.263 4.320 0.476 0.000 0.321 611 A C 0.685 178.230 177.584 -0.066 0.000 1.849 611 A CA 1.762 53.753 52.037 -0.077 0.000 0.713 611 A CB -1.429 17.524 19.000 -0.078 0.000 1.360 611 A HN 0.877 nan 8.150 nan 0.000 0.384 612 N N 1.447 120.108 118.700 -0.067 0.000 2.295 612 N HA 0.179 5.205 4.740 0.476 0.000 0.221 612 N C 0.099 175.556 175.510 -0.087 0.000 1.129 612 N CA 0.421 53.425 53.050 -0.077 0.000 0.836 612 N CB -0.135 38.313 38.487 -0.066 0.000 1.040 612 N HN 0.689 nan 8.380 nan 0.000 0.494 613 R N -0.036 120.423 120.500 -0.068 0.000 2.589 613 R HA 0.552 5.178 4.340 0.476 0.000 0.293 613 R C -0.911 175.366 176.300 -0.038 0.000 0.963 613 R CA -0.961 55.103 56.100 -0.060 0.000 0.905 613 R CB 2.719 32.990 30.300 -0.048 0.000 1.144 613 R HN 0.044 nan 8.270 nan 0.000 0.459 614 V N 4.157 124.044 119.914 -0.044 0.000 2.588 614 V HA 0.669 5.075 4.120 0.476 0.000 0.304 614 V C -1.320 174.791 176.094 0.028 0.000 1.042 614 V CA -0.681 61.617 62.300 -0.002 0.000 0.877 614 V CB 1.670 33.463 31.823 -0.050 0.000 0.996 614 V HN 0.717 nan 8.190 nan 0.000 0.425 615 L N 6.073 127.330 121.223 0.056 0.000 2.422 615 L HA 0.674 5.299 4.340 0.476 0.000 0.264 615 L C -1.131 175.784 176.870 0.074 0.000 0.984 615 L CA -0.772 54.109 54.840 0.070 0.000 0.819 615 L CB 2.183 44.268 42.059 0.043 0.000 1.330 615 L HN 0.754 nan 8.230 nan 0.000 0.410 616 I N 2.766 123.390 120.570 0.090 0.000 2.331 616 I HA 0.193 4.648 4.170 0.476 0.000 0.292 616 I C 0.276 176.415 176.117 0.036 0.000 0.998 616 I CA -0.267 61.051 61.300 0.031 0.000 1.267 616 I CB 1.721 39.694 38.000 -0.046 0.000 1.386 616 I HN 0.591 nan 8.210 nan 0.000 0.476 617 S N 8.202 123.918 115.700 0.027 0.000 2.629 617 S HA 0.053 4.809 4.470 0.476 0.000 0.302 617 S C -1.932 172.685 174.600 0.029 0.000 1.244 617 S CA -0.956 57.262 58.200 0.031 0.000 1.098 617 S CB -0.431 62.787 63.200 0.031 0.000 0.858 617 S HN 0.404 nan 8.310 nan 0.000 0.502 632 E N 0.289 120.525 120.200 0.059 0.000 2.222 632 E HA 0.709 5.344 4.350 0.476 0.000 0.267 632 E C -1.745 174.901 176.600 0.077 0.000 0.884 632 E CA -0.494 55.970 56.400 0.107 0.000 0.764 632 E CB 2.141 31.919 29.700 0.130 0.000 1.169 632 E HN 0.454 nan 8.360 nan 0.000 0.413 633 I N 2.961 123.597 120.570 0.110 0.000 2.474 633 I HA 0.283 4.739 4.170 0.476 0.000 0.294 633 I C -0.415 175.735 176.117 0.055 0.000 1.005 633 I CA -0.580 60.760 61.300 0.067 0.000 1.113 633 I CB 1.954 39.992 38.000 0.064 0.000 1.289 633 I HN 0.486 nan 8.210 nan 0.000 0.436 634 E N 7.355 127.546 120.200 -0.015 0.000 2.182 634 E HA 0.438 5.073 4.350 0.476 0.000 0.258 634 E C -1.258 175.249 176.600 -0.156 0.000 0.879 634 E CA -0.623 55.659 56.400 -0.197 0.000 0.754 634 E CB 1.317 30.910 29.700 -0.177 0.000 1.162 634 E HN 0.516 nan 8.360 nan 0.000 0.419 635 L N 3.186 124.279 121.223 -0.216 0.000 2.464 635 L HA 0.107 4.733 4.340 0.476 0.000 0.264 635 L C 1.363 178.278 176.870 0.076 0.000 1.199 635 L CA -0.404 54.374 54.840 -0.102 0.000 0.818 635 L CB 0.418 42.384 42.059 -0.156 0.000 1.102 635 L HN 0.670 nan 8.230 nan 0.000 0.473 636 D N -0.370 120.250 120.400 0.367 0.000 2.378 636 D HA 0.142 5.067 4.640 0.476 0.000 0.227 636 D C 0.228 176.592 176.300 0.107 0.000 1.012 636 D CA 0.552 54.668 54.000 0.193 0.000 0.905 636 D CB 0.301 41.207 40.800 0.175 0.000 0.895 636 D HN 0.526 nan 8.370 nan 0.000 0.532 637 A N -0.592 122.285 122.820 0.096 0.000 2.536 637 A HA 0.568 5.174 4.320 0.476 0.000 0.293 637 A C -1.331 176.117 177.584 -0.226 0.000 1.119 637 A CA -0.952 51.000 52.037 -0.141 0.000 0.654 637 A CB 0.458 19.272 19.000 -0.310 0.000 1.291 637 A HN 0.083 nan 8.150 nan 0.000 0.439 638 I N 1.058 121.457 120.570 -0.284 0.000 2.371 638 I HA 0.396 4.852 4.170 0.476 0.000 0.290 638 I C -1.054 174.845 176.117 -0.363 0.000 1.028 638 I CA 0.100 61.292 61.300 -0.181 0.000 1.345 638 I CB 0.355 38.304 38.000 -0.085 0.000 1.407 638 I HN 0.555 nan 8.210 nan 0.000 0.501 639 Y N 6.186 126.478 120.300 -0.012 0.000 2.536 639 Y HA 0.421 5.257 4.550 0.477 0.000 0.347 639 Y C -2.314 173.584 175.900 -0.003 0.000 1.000 639 Y CA -2.925 55.170 58.100 -0.007 0.000 1.051 639 Y CB 1.319 39.767 38.460 -0.020 0.000 1.259 639 Y HN 0.387 nan 8.280 nan 0.000 0.468 640 P HA 0.093 nan 4.420 nan 0.000 0.271 640 P C -0.026 177.328 177.300 0.090 0.000 1.233 640 P CA -0.045 63.114 63.100 0.099 0.000 0.764 640 P CB 0.413 32.157 31.700 0.073 0.000 0.825 641 G N 2.607 111.444 108.800 0.063 0.000 2.403 641 G HA2 0.103 4.349 3.960 0.476 0.000 0.259 641 G HA3 0.103 4.349 3.960 0.476 0.000 0.259 641 G C 0.550 175.459 174.900 0.014 0.000 1.244 641 G CA -0.066 45.054 45.100 0.033 0.000 0.849 641 G HN 0.364 nan 8.290 nan 0.000 0.532 642 E N 0.705 120.902 120.200 -0.006 0.000 2.094 642 E HA 0.152 4.788 4.350 0.476 0.000 0.193 642 E C 0.820 177.406 176.600 -0.023 0.000 0.950 642 E CA 0.906 57.298 56.400 -0.014 0.000 0.842 642 E CB 0.347 30.033 29.700 -0.025 0.000 0.816 642 E HN 0.819 nan 8.360 nan 0.000 0.465 643 N N -1.795 116.882 118.700 -0.038 0.000 3.355 643 N HA 0.294 5.320 4.740 0.476 0.000 0.238 643 N C -1.669 173.793 175.510 -0.079 0.000 1.466 643 N CA -0.664 52.356 53.050 -0.051 0.000 0.882 643 N CB 0.860 39.316 38.487 -0.053 0.000 1.406 643 N HN -0.080 nan 8.380 nan 0.000 0.500 644 I N -0.135 120.372 120.570 -0.105 0.000 2.499 644 I HA 0.330 4.785 4.170 0.476 0.000 0.288 644 I C -1.057 174.926 176.117 -0.222 0.000 1.048 644 I CA -0.529 60.663 61.300 -0.180 0.000 1.062 644 I CB 2.072 39.953 38.000 -0.200 0.000 1.238 644 I HN 0.457 nan 8.210 nan 0.000 0.426 645 Q N 6.428 126.065 119.800 -0.272 0.000 2.381 645 Q HA 0.616 5.242 4.340 0.476 0.000 0.263 645 Q C -0.955 174.795 176.000 -0.417 0.000 1.030 645 Q CA -0.355 55.283 55.803 -0.275 0.000 0.772 645 Q CB 2.516 31.144 28.738 -0.184 0.000 1.232 645 Q HN 0.538 nan 8.270 nan 0.000 0.476 646 I N 1.286 121.551 120.570 -0.507 0.000 2.822 646 I HA 0.479 4.934 4.170 0.476 0.000 0.312 646 I C -0.306 175.462 176.117 -0.583 0.000 1.011 646 I CA -0.931 59.951 61.300 -0.697 0.000 1.105 646 I CB 1.871 39.306 38.000 -0.943 0.000 1.291 646 I HN 0.569 nan 8.210 nan 0.000 0.474 647 N N 2.474 120.741 118.700 -0.721 0.000 2.697 647 N HA 0.420 5.446 4.740 0.476 0.000 0.271 647 N C -1.544 173.684 175.510 -0.469 0.000 1.149 647 N CA -0.360 52.394 53.050 -0.494 0.000 0.939 647 N CB 1.027 39.373 38.487 -0.237 0.000 1.534 647 N HN 0.279 nan 8.380 nan 0.000 0.556 680 L N 1.693 122.844 121.223 -0.121 0.000 2.439 680 L HA 0.800 5.426 4.340 0.476 0.000 0.269 680 L C 0.963 177.757 176.870 -0.128 0.000 1.179 680 L CA 0.535 55.311 54.840 -0.108 0.000 0.828 680 L CB 1.845 43.822 42.059 -0.137 0.000 1.106 680 L HN 0.822 nan 8.230 nan 0.000 0.467 681 S N 1.137 116.786 115.700 -0.085 0.000 2.542 681 S HA 0.901 5.657 4.470 0.476 0.000 0.276 681 S C -1.208 173.361 174.600 -0.052 0.000 1.148 681 S CA -0.352 57.797 58.200 -0.084 0.000 0.886 681 S CB 1.682 64.840 63.200 -0.070 0.000 1.109 681 S HN 1.024 nan 8.310 nan 0.000 0.458 682 A N 1.657 124.445 122.820 -0.054 0.000 2.485 682 A HA 0.799 5.405 4.320 0.476 0.000 0.285 682 A C 0.220 177.786 177.584 -0.029 0.000 1.045 682 A CA -0.231 51.789 52.037 -0.028 0.000 0.792 682 A CB 0.704 19.697 19.000 -0.011 0.000 1.307 682 A HN 1.818 nan 8.150 nan 0.000 0.406 683 G N 0.549 109.336 108.800 -0.021 0.000 2.491 683 G HA2 0.467 4.712 3.960 0.476 0.000 0.242 683 G HA3 0.467 4.712 3.960 0.476 0.000 0.242 683 G C 0.401 175.297 174.900 -0.006 0.000 1.266 683 G CA -0.380 44.710 45.100 -0.016 0.000 0.844 683 G HN 0.809 nan 8.290 nan 0.000 0.571 684 L N 0.576 121.797 121.223 -0.003 0.000 2.693 684 L HA 0.180 4.806 4.340 0.476 0.000 0.235 684 L C 0.939 177.816 176.870 0.012 0.000 1.127 684 L CA -0.179 54.665 54.840 0.008 0.000 0.914 684 L CB -0.057 42.008 42.059 0.011 0.000 1.193 684 L HN 0.545 nan 8.230 nan 0.000 0.502 685 Q N 1.410 121.214 119.800 0.007 0.000 2.416 685 Q HA -0.235 4.391 4.340 0.476 0.000 0.319 685 Q C 0.081 176.089 176.000 0.014 0.000 1.318 685 Q CA 0.429 56.238 55.803 0.009 0.000 0.915 685 Q CB -0.984 27.760 28.738 0.009 0.000 1.184 685 Q HN 0.250 nan 8.270 nan 0.000 0.444 686 K N -4.604 115.806 120.400 0.016 0.000 3.274 686 K HA -0.233 4.373 4.320 0.476 0.000 0.300 686 K C -0.021 176.597 176.600 0.030 0.000 1.230 686 K CA 1.172 57.473 56.287 0.024 0.000 0.884 686 K CB -2.255 30.258 32.500 0.021 0.000 1.242 686 K HN 0.648 nan 8.250 nan 0.000 0.467 687 A N 1.764 124.602 122.820 0.030 0.000 2.492 687 A HA 0.366 4.972 4.320 0.476 0.000 0.254 687 A C -1.941 175.671 177.584 0.046 0.000 1.091 687 A CA -0.752 51.305 52.037 0.035 0.000 0.768 687 A CB -0.039 18.981 19.000 0.034 0.000 1.028 687 A HN -0.062 nan 8.150 nan 0.000 0.498 688 P HA 0.191 nan 4.420 nan 0.000 0.265 688 P C -0.549 176.794 177.300 0.072 0.000 1.187 688 P CA 0.282 63.414 63.100 0.054 0.000 0.766 688 P CB 0.676 32.400 31.700 0.040 0.000 0.820 689 V N 3.502 123.469 119.914 0.089 0.000 2.752 689 V HA 0.328 4.733 4.120 0.476 0.000 0.302 689 V C 0.264 176.418 176.094 0.101 0.000 1.133 689 V CA -0.355 62.008 62.300 0.105 0.000 0.919 689 V CB 1.834 33.711 31.823 0.090 0.000 1.026 689 V HN 0.581 nan 8.190 nan 0.000 0.429 690 K N 4.744 125.196 120.400 0.087 0.000 2.380 690 K HA 0.434 5.040 4.320 0.476 0.000 0.200 690 K C -0.281 176.169 176.600 -0.250 0.000 1.201 690 K CA 0.145 56.378 56.287 -0.091 0.000 0.916 690 K CB 0.394 32.786 32.500 -0.180 0.000 1.187 690 K HN 0.523 nan 8.250 nan 0.000 0.498 691 F N 1.017 121.002 119.950 0.059 0.000 2.470 691 F HA 0.513 5.326 4.527 0.477 0.000 0.329 691 F C -0.564 175.279 175.800 0.072 0.000 1.072 691 F CA -1.111 56.925 58.000 0.060 0.000 0.989 691 F CB 2.160 41.192 39.000 0.054 0.000 1.193 691 F HN -0.376 nan 8.300 nan 0.000 0.481 692 V N 2.837 122.912 119.914 0.269 0.000 2.555 692 V HA 0.367 4.772 4.120 0.476 0.000 0.283 692 V C -0.546 175.709 176.094 0.269 0.000 1.020 692 V CA -0.684 61.756 62.300 0.233 0.000 0.883 692 V CB 1.558 33.502 31.823 0.202 0.000 1.030 692 V HN 0.759 nan 8.190 nan 0.000 0.448 693 R N 3.022 123.675 120.500 0.256 0.000 2.720 693 R HA 0.837 5.463 4.340 0.476 0.000 0.272 693 R C -1.555 174.958 176.300 0.355 0.000 0.991 693 R CA -0.356 55.893 56.100 0.249 0.000 1.010 693 R CB 1.914 32.305 30.300 0.152 0.000 1.141 693 R HN 0.519 nan 8.270 nan 0.000 0.494 709 F N 1.758 121.612 119.950 -0.161 0.000 3.228 709 F HA 0.562 5.374 4.527 0.476 0.000 0.385 709 F C -1.960 173.768 175.800 -0.120 0.000 1.247 709 F CA -0.402 57.489 58.000 -0.183 0.000 1.211 709 F CB 1.559 40.464 39.000 -0.159 0.000 1.719 709 F HN 0.482 nan 8.300 nan 0.000 0.630 710 V N 6.317 126.141 119.914 -0.151 0.000 2.443 710 V HA 0.367 4.773 4.120 0.476 0.000 0.293 710 V C -0.638 175.374 176.094 -0.137 0.000 1.021 710 V CA -0.761 61.494 62.300 -0.075 0.000 0.848 710 V CB 1.597 33.375 31.823 -0.076 0.000 0.998 710 V HN 0.550 nan 8.190 nan 0.000 0.424 711 L N 5.180 126.363 121.223 -0.068 0.000 2.305 711 L HA 0.661 5.287 4.340 0.476 0.000 0.281 711 L C 0.310 177.129 176.870 -0.084 0.000 1.085 711 L CA 1.047 55.839 54.840 -0.081 0.000 0.813 711 L CB 1.452 43.484 42.059 -0.044 0.000 1.157 711 L HN 0.709 nan 8.230 nan 0.000 0.436 712 T N 6.838 121.341 114.554 -0.085 0.000 2.824 712 T HA 0.660 5.296 4.350 0.476 0.000 0.280 712 T C -0.186 174.467 174.700 -0.078 0.000 0.995 712 T CA -0.279 61.773 62.100 -0.081 0.000 1.009 712 T CB 0.962 69.788 68.868 -0.069 0.000 0.955 712 T HN 0.627 nan 8.240 nan 0.000 0.452 713 I N -0.833 119.680 120.570 -0.096 0.000 3.042 713 I HA 0.657 5.113 4.170 0.476 0.000 0.310 713 I C -0.398 175.693 176.117 -0.043 0.000 1.117 713 I CA -1.211 60.039 61.300 -0.082 0.000 1.003 713 I CB 2.228 40.106 38.000 -0.204 0.000 1.228 713 I HN 0.452 nan 8.210 nan 0.000 0.443 714 E N 3.037 123.249 120.200 0.020 0.000 2.152 714 E HA 0.213 4.849 4.350 0.476 0.000 0.285 714 E C -0.492 176.160 176.600 0.087 0.000 1.043 714 E CA -0.040 56.386 56.400 0.044 0.000 0.839 714 E CB 1.158 30.893 29.700 0.059 0.000 1.069 714 E HN 0.725 nan 8.360 nan 0.000 0.399 715 K N 3.330 123.759 120.400 0.049 0.000 2.735 715 K HA 0.187 4.793 4.320 0.476 0.000 0.197 715 K C 0.110 176.742 176.600 0.053 0.000 1.468 715 K CA -0.035 56.295 56.287 0.073 0.000 1.109 715 K CB 0.749 33.256 32.500 0.012 0.000 1.732 715 K HN 0.258 nan 8.250 nan 0.000 0.541 716 K N 0.000 120.413 120.400 0.021 0.000 2.780 716 K HA 0.000 4.606 4.320 0.476 0.000 0.191 716 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 716 K CB 0.000 32.501 32.500 0.002 0.000 1.064 716 K HN 0.000 nan 8.250 nan 0.000 0.543