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 1ud3_1_A DATA FIRST_RESID 1 DATA SEQUENCE DGLNGTMMQY YEWHLENDGQ HWNRLHDDAA ALSDAGITAI WIPPAYKGNS DATA SEQUENCE QADVGYGAYD LYDLGEFNQK GTVRTKYGTK AQLERAIGSL KSNDINVYGD DATA SEQUENCE VVMNHKMGAD FTEAVQAVQV NPTNRWQDIS GAYTIDAWTG FDFSGRNNAY DATA SEQUENCE SDFKWRWFHF NGVDWDQRYQ ENHIFRFANT NWNWRVDEEN GNYDYLLGSN DATA SEQUENCE IDFSHPEVQD ELKDWGSWFT DELDLDGYRL DAIKHIPFWY TSDWVRHQRN DATA SEQUENCE EADQDLFVVG EYWKDDVGAL EFYLDEMNWE MSLFDVPLHY NFYRASQQGG DATA SEQUENCE SYDMRNILRG SLVEAHPMHA VTFVDNHDTQ PGESLESWVA DWFKPLAYAT DATA SEQUENCE ILTREGGYPN VFYGDYYGIP NDNISAKKDM IDELLDARQN YAYGTQHDYF DATA SEQUENCE DHWDVVGWTR EGSSSRPNSG LATIMSNGPG GSKWMYVGRQ NAGQTWTDLT DATA SEQUENCE GNNGASVTIN GDGWGEFFTN GGSVSVYVNQ 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.267 176.300 -0.055 0.000 2.045 1 D CA 0.000 53.972 54.000 -0.047 0.000 0.868 1 D CB 0.000 40.777 40.800 -0.039 0.000 0.688 2 G N -0.555 108.224 108.800 -0.035 0.000 2.284 2 G HA2 -0.245 3.715 3.960 0.000 0.000 0.261 2 G HA3 -0.245 3.715 3.960 0.000 0.000 0.261 2 G C 0.168 175.101 174.900 0.056 0.000 0.997 2 G CA 0.450 45.540 45.100 -0.018 0.000 0.621 2 G HN 0.772 nan 8.290 nan 0.000 0.534 3 L N 2.258 123.504 121.223 0.037 0.000 2.540 3 L HA 0.357 4.697 4.340 0.000 0.000 0.276 3 L C 0.548 177.507 176.870 0.147 0.000 1.212 3 L CA -0.580 54.336 54.840 0.127 0.000 0.893 3 L CB 0.098 42.185 42.059 0.048 0.000 1.138 3 L HN 0.297 nan 8.230 nan 0.000 0.491 4 N N 3.080 121.903 118.700 0.205 0.000 2.344 4 N HA 0.150 4.890 4.740 0.000 0.000 0.236 4 N C -0.108 175.411 175.510 0.016 0.000 1.279 4 N CA 0.746 53.815 53.050 0.032 0.000 0.882 4 N CB 0.567 38.995 38.487 -0.098 0.000 1.110 4 N HN 0.854 nan 8.380 nan 0.000 0.436 5 G N -0.432 108.352 108.800 -0.027 0.000 2.343 5 G HA2 0.475 4.435 3.960 0.000 0.000 0.319 5 G HA3 0.475 4.435 3.960 0.000 0.000 0.319 5 G C -0.786 174.257 174.900 0.238 0.000 1.126 5 G CA -0.287 44.823 45.100 0.017 0.000 0.889 5 G HN 0.357 nan 8.290 nan 0.000 0.457 6 T N 3.250 117.962 114.554 0.264 0.000 2.937 6 T HA 0.385 4.735 4.350 0.000 0.000 0.297 6 T C -0.063 174.742 174.700 0.175 0.000 0.991 6 T CA -0.422 61.819 62.100 0.237 0.000 0.990 6 T CB 1.411 70.355 68.868 0.127 0.000 0.991 6 T HN 0.535 nan 8.240 nan 0.000 0.440 7 M N 4.156 123.808 119.600 0.085 0.000 2.359 7 M HA 0.700 5.181 4.480 0.000 0.000 0.322 7 M C -1.014 175.360 176.300 0.123 0.000 1.166 7 M CA -0.674 54.638 55.300 0.020 0.000 1.067 7 M CB 1.332 33.823 32.600 -0.182 0.000 1.523 7 M HN 0.699 nan 8.290 nan 0.000 0.467 8 M N 3.547 123.249 119.600 0.169 0.000 2.238 8 M HA 0.242 4.722 4.480 0.000 0.000 0.278 8 M C -1.538 174.923 176.300 0.268 0.000 1.040 8 M CA -0.462 54.953 55.300 0.192 0.000 0.969 8 M CB 2.094 34.747 32.600 0.089 0.000 1.694 8 M HN 0.756 nan 8.290 nan 0.000 0.472 9 Q N 3.546 123.472 119.800 0.210 0.000 2.369 9 Q HA 0.076 4.417 4.340 0.000 0.000 0.247 9 Q C -1.544 174.435 176.000 -0.036 0.000 1.083 9 Q CA -0.082 55.623 55.803 -0.163 0.000 0.905 9 Q CB 0.476 28.841 28.738 -0.622 0.000 1.305 9 Q HN 0.770 nan 8.270 nan 0.000 0.465 10 Y N 7.002 127.306 120.300 0.006 0.000 2.851 10 Y HA 0.119 4.669 4.550 0.000 0.000 0.369 10 Y C -1.439 174.506 175.900 0.076 0.000 1.226 10 Y CA -0.039 58.167 58.100 0.176 0.000 1.949 10 Y CB -0.443 38.141 38.460 0.206 0.000 2.059 10 Y HN 0.549 nan 8.280 nan 0.000 0.420 11 Y N -0.773 119.222 120.300 -0.509 0.000 2.841 11 Y HA 0.471 5.021 4.550 0.000 0.000 0.373 11 Y C -1.868 173.809 175.900 -0.371 0.000 1.170 11 Y CA -1.937 55.692 58.100 -0.786 0.000 1.196 11 Y CB 0.451 38.535 38.460 -0.627 0.000 1.433 11 Y HN 0.166 nan 8.280 nan 0.000 0.479 12 E N 1.527 121.600 120.200 -0.212 0.000 2.408 12 E HA 0.250 4.601 4.350 0.000 0.000 0.275 12 E C -0.358 176.366 176.600 0.207 0.000 0.935 12 E CA -1.049 55.413 56.400 0.104 0.000 0.775 12 E CB 1.401 31.149 29.700 0.080 0.000 1.277 12 E HN 0.813 nan 8.360 nan 0.000 0.455 13 W N 1.617 122.998 121.300 0.135 0.000 2.321 13 W HA -0.164 4.497 4.660 0.000 0.000 0.306 13 W C 0.240 176.639 176.519 -0.200 0.000 1.217 13 W CA 1.602 58.933 57.345 -0.023 0.000 1.257 13 W CB 0.073 29.440 29.460 -0.155 0.000 1.145 13 W HN 0.695 nan 8.180 nan 0.000 0.509 14 H N 0.237 119.452 119.070 0.241 0.000 2.567 14 H HA 0.182 4.738 4.556 0.000 0.000 0.294 14 H C 0.910 176.234 175.328 -0.008 0.000 1.050 14 H CA 0.015 56.127 56.048 0.107 0.000 1.168 14 H CB -0.598 29.235 29.762 0.118 0.000 1.422 14 H HN -0.017 nan 8.280 nan 0.000 0.562 15 L N 1.339 122.555 121.223 -0.012 0.000 2.503 15 L HA -0.068 4.272 4.340 0.000 0.000 0.287 15 L C 0.979 177.782 176.870 -0.111 0.000 1.252 15 L CA 0.459 55.234 54.840 -0.108 0.000 0.835 15 L CB 0.601 42.477 42.059 -0.305 0.000 1.099 15 L HN 0.156 nan 8.230 nan 0.000 0.516 16 E N 1.943 122.085 120.200 -0.097 0.000 2.360 16 E HA -0.045 4.305 4.350 0.000 0.000 0.269 16 E C -0.309 176.195 176.600 -0.161 0.000 1.022 16 E CA -0.143 56.202 56.400 -0.092 0.000 0.887 16 E CB 0.644 30.312 29.700 -0.053 0.000 0.990 16 E HN 0.302 nan 8.360 nan 0.000 0.426 17 N N 2.917 121.521 118.700 -0.161 0.000 3.245 17 N HA -0.050 4.690 4.740 0.000 0.000 0.296 17 N C -0.287 175.131 175.510 -0.153 0.000 1.254 17 N CA -0.127 52.797 53.050 -0.211 0.000 1.190 17 N CB -0.037 38.330 38.487 -0.200 0.000 1.460 17 N HN 0.274 nan 8.380 nan 0.000 0.538 18 D N -0.152 120.167 120.400 -0.134 0.000 2.398 18 D HA 0.153 4.794 4.640 0.000 0.000 0.210 18 D C 1.156 177.407 176.300 -0.082 0.000 1.094 18 D CA 0.098 54.046 54.000 -0.086 0.000 0.839 18 D CB -0.527 40.242 40.800 -0.052 0.000 0.963 18 D HN 0.274 nan 8.370 nan 0.000 0.506 19 G N 0.880 109.603 108.800 -0.129 0.000 2.187 19 G HA2 -0.328 3.632 3.960 0.000 0.000 0.261 19 G HA3 -0.328 3.632 3.960 0.000 0.000 0.261 19 G C 0.819 175.691 174.900 -0.047 0.000 1.000 19 G CA 0.447 45.482 45.100 -0.109 0.000 0.718 19 G HN 0.376 nan 8.290 nan 0.000 0.519 20 Q N -1.256 118.529 119.800 -0.024 0.000 2.217 20 Q HA 0.176 4.516 4.340 0.000 0.000 0.217 20 Q C 1.572 177.615 176.000 0.073 0.000 0.844 20 Q CA 0.264 56.085 55.803 0.031 0.000 0.957 20 Q CB 0.185 28.941 28.738 0.030 0.000 1.127 20 Q HN 0.730 nan 8.270 nan 0.000 0.503 21 H N -0.155 118.857 119.070 -0.096 0.000 2.352 21 H HA -0.150 4.406 4.556 0.000 0.000 0.299 21 H C 1.352 176.723 175.328 0.072 0.000 1.097 21 H CA 2.066 58.074 56.048 -0.067 0.000 1.311 21 H CB -0.046 29.607 29.762 -0.182 0.000 1.377 21 H HN 0.278 nan 8.280 nan 0.000 0.504 22 W N 0.542 121.918 121.300 0.126 0.000 2.338 22 W HA -0.207 4.454 4.660 0.000 0.000 0.304 22 W C 2.270 178.794 176.519 0.009 0.000 1.212 22 W CA 0.396 57.759 57.345 0.030 0.000 1.264 22 W CB -0.186 29.304 29.460 0.051 0.000 1.142 22 W HN 0.206 nan 8.180 nan 0.000 0.512 23 N N 0.375 119.223 118.700 0.245 0.000 2.166 23 N HA -0.133 4.607 4.740 0.000 0.000 0.186 23 N C 1.581 177.179 175.510 0.146 0.000 1.019 23 N CA 1.323 54.460 53.050 0.145 0.000 0.856 23 N CB -0.639 37.895 38.487 0.079 0.000 0.993 23 N HN 0.255 nan 8.380 nan 0.000 0.426 24 R N 0.224 120.789 120.500 0.109 0.000 2.081 24 R HA -0.072 4.268 4.340 0.000 0.000 0.235 24 R C 2.051 178.417 176.300 0.109 0.000 1.131 24 R CA 0.725 56.889 56.100 0.106 0.000 0.960 24 R CB -0.483 29.877 30.300 0.100 0.000 0.856 24 R HN 0.127 nan 8.270 nan 0.000 0.436 25 L N 0.782 122.026 121.223 0.035 0.000 2.042 25 L HA -0.229 4.111 4.340 0.000 0.000 0.210 25 L C 2.405 179.218 176.870 -0.096 0.000 1.076 25 L CA 1.958 56.673 54.840 -0.207 0.000 0.749 25 L CB -0.993 40.932 42.059 -0.223 0.000 0.893 25 L HN 0.282 nan 8.230 nan 0.000 0.432 26 H N -0.306 118.734 119.070 -0.050 0.000 2.289 26 H HA -0.188 4.368 4.556 0.000 0.000 0.296 26 H C 1.503 176.812 175.328 -0.032 0.000 1.091 26 H CA 2.242 58.266 56.048 -0.041 0.000 1.274 26 H CB -0.116 29.643 29.762 -0.004 0.000 1.364 26 H HN 0.399 nan 8.280 nan 0.000 0.490 27 D N 0.096 120.581 120.400 0.142 0.000 2.264 27 D HA -0.102 4.539 4.640 0.000 0.000 0.208 27 D C 1.618 177.918 176.300 0.000 0.000 0.966 27 D CA 0.932 54.981 54.000 0.082 0.000 0.864 27 D CB -0.396 40.489 40.800 0.143 0.000 0.933 27 D HN 0.422 nan 8.370 nan 0.000 0.499 28 D N -0.274 120.128 120.400 0.004 0.000 2.349 28 D HA 0.131 4.771 4.640 0.000 0.000 0.215 28 D C 1.883 178.165 176.300 -0.029 0.000 1.016 28 D CA 0.371 54.396 54.000 0.042 0.000 0.870 28 D CB 0.158 41.058 40.800 0.166 0.000 0.917 28 D HN 0.014 nan 8.370 nan 0.000 0.524 29 A N 1.011 123.758 122.820 -0.122 0.000 1.869 29 A HA -0.203 4.118 4.320 0.000 0.000 0.218 29 A C 2.375 179.905 177.584 -0.090 0.000 1.203 29 A CA 2.621 54.573 52.037 -0.142 0.000 0.638 29 A CB -1.175 17.702 19.000 -0.204 0.000 0.831 29 A HN 0.276 nan 8.150 nan 0.000 0.450 30 A N -0.534 122.235 122.820 -0.084 0.000 1.892 30 A HA 0.077 4.397 4.320 0.000 0.000 0.218 30 A C 2.552 180.125 177.584 -0.018 0.000 1.188 30 A CA 2.676 54.682 52.037 -0.052 0.000 0.631 30 A CB -1.161 17.811 19.000 -0.047 0.000 0.822 30 A HN 1.278 nan 8.150 nan 0.000 0.447 31 A N -0.526 122.299 122.820 0.009 0.000 1.933 31 A HA -0.000 4.320 4.320 0.000 0.000 0.218 31 A C 2.185 179.802 177.584 0.055 0.000 1.175 31 A CA 1.460 53.526 52.037 0.049 0.000 0.628 31 A CB -0.560 18.497 19.000 0.095 0.000 0.814 31 A HN 0.481 nan 8.150 nan 0.000 0.444 32 L N -0.927 120.319 121.223 0.038 0.000 2.056 32 L HA -0.148 4.192 4.340 0.000 0.000 0.207 32 L C 2.933 179.794 176.870 -0.015 0.000 1.078 32 L CA 1.479 56.325 54.840 0.010 0.000 0.749 32 L CB -0.520 41.527 42.059 -0.021 0.000 0.901 32 L HN 0.501 nan 8.230 nan 0.000 0.433 33 S N -0.252 115.432 115.700 -0.027 0.000 2.348 33 S HA -0.282 4.189 4.470 0.000 0.000 0.221 33 S C 1.920 176.513 174.600 -0.013 0.000 1.033 33 S CA 1.835 60.017 58.200 -0.029 0.000 1.010 33 S CB -0.386 62.789 63.200 -0.042 0.000 0.891 33 S HN 0.521 nan 8.310 nan 0.000 0.442 34 D N 0.740 121.137 120.400 -0.006 0.000 2.158 34 D HA -0.136 4.505 4.640 0.000 0.000 0.197 34 D C 1.857 178.166 176.300 0.014 0.000 0.995 34 D CA 1.403 55.404 54.000 0.002 0.000 0.846 34 D CB -0.304 40.500 40.800 0.007 0.000 0.941 34 D HN 0.496 nan 8.370 nan 0.000 0.456 35 A N -0.457 122.378 122.820 0.026 0.000 2.119 35 A HA 0.262 4.582 4.320 0.000 0.000 0.217 35 A C 1.879 179.479 177.584 0.026 0.000 1.153 35 A CA 1.674 53.736 52.037 0.041 0.000 0.692 35 A CB -0.143 18.903 19.000 0.077 0.000 0.799 35 A HN 0.521 nan 8.150 nan 0.000 0.458 36 G N -1.888 106.919 108.800 0.011 0.000 2.198 36 G HA2 -0.089 3.872 3.960 0.000 0.000 0.156 36 G HA3 -0.089 3.872 3.960 0.000 0.000 0.156 36 G C -0.129 174.777 174.900 0.010 0.000 1.012 36 G CA -0.109 45.000 45.100 0.016 0.000 0.692 36 G HN 0.206 nan 8.290 nan 0.000 0.492 37 I N 2.781 123.344 120.570 -0.013 0.000 2.416 37 I HA 0.350 4.520 4.170 0.000 0.000 0.288 37 I C 1.719 177.827 176.117 -0.016 0.000 1.051 37 I CA 1.023 62.313 61.300 -0.018 0.000 1.375 37 I CB 0.907 38.874 38.000 -0.055 0.000 1.407 37 I HN 0.283 nan 8.210 nan 0.000 0.516 38 T N 1.788 116.345 114.554 0.006 0.000 2.985 38 T HA 0.522 4.872 4.350 0.000 0.000 0.254 38 T C 0.423 175.091 174.700 -0.055 0.000 1.021 38 T CA -0.072 62.021 62.100 -0.011 0.000 0.957 38 T CB 0.557 69.436 68.868 0.019 0.000 1.047 38 T HN 0.629 nan 8.240 nan 0.000 0.511 39 A N 1.194 123.973 122.820 -0.068 0.000 2.488 39 A HA 0.702 5.022 4.320 0.000 0.000 0.298 39 A C -1.337 176.138 177.584 -0.181 0.000 1.044 39 A CA -0.778 51.112 52.037 -0.244 0.000 0.693 39 A CB 1.218 20.020 19.000 -0.330 0.000 1.272 39 A HN 0.284 nan 8.150 nan 0.000 0.402 40 I N 2.187 122.624 120.570 -0.222 0.000 2.362 40 I HA 0.284 4.454 4.170 0.000 0.000 0.289 40 I C -0.981 175.215 176.117 0.130 0.000 0.994 40 I CA -0.355 60.935 61.300 -0.017 0.000 1.158 40 I CB 1.505 39.472 38.000 -0.055 0.000 1.315 40 I HN 0.878 nan 8.210 nan 0.000 0.451 41 W N 10.233 131.622 121.300 0.148 0.000 2.308 41 W HA 0.531 5.192 4.660 0.001 0.000 0.311 41 W C -0.534 176.191 176.519 0.343 0.000 1.088 41 W CA -1.632 55.894 57.345 0.301 0.000 1.309 41 W CB 0.183 29.883 29.460 0.400 0.000 1.229 41 W HN 0.380 nan 8.180 nan 0.000 0.427 42 I N 6.472 127.393 120.570 0.586 0.000 2.577 42 I HA 0.600 4.771 4.170 0.000 0.000 0.300 42 I C -1.852 174.407 176.117 0.238 0.000 0.990 42 I CA -2.559 58.951 61.300 0.351 0.000 1.283 42 I CB 1.288 39.457 38.000 0.281 0.000 1.411 42 I HN 0.214 nan 8.210 nan 0.000 0.515 43 P HA 0.261 nan 4.420 nan 0.000 0.273 43 P C -2.648 174.417 177.300 -0.392 0.000 1.250 43 P CA -1.533 61.009 63.100 -0.930 0.000 0.793 43 P CB -0.624 29.789 31.700 -2.145 0.000 1.011 44 P HA -0.035 nan 4.420 nan 0.000 0.260 44 P C 0.336 177.304 177.300 -0.553 0.000 1.185 44 P CA 0.804 63.534 63.100 -0.616 0.000 0.763 44 P CB -0.236 31.023 31.700 -0.735 0.000 0.776 45 A N 3.565 126.109 122.820 -0.460 0.000 2.275 45 A HA 0.111 4.431 4.320 0.000 0.000 0.212 45 A C 0.162 177.790 177.584 0.073 0.000 1.201 45 A CA 0.313 52.396 52.037 0.076 0.000 0.843 45 A CB -0.773 18.392 19.000 0.275 0.000 0.873 45 A HN 0.569 nan 8.150 nan 0.000 0.492 46 Y N -2.236 118.195 120.300 0.219 0.000 2.432 46 Y HA 0.679 5.229 4.550 0.000 0.000 0.322 46 Y C 0.356 176.336 175.900 0.134 0.000 1.246 46 Y CA -2.533 55.667 58.100 0.167 0.000 1.268 46 Y CB 0.343 38.820 38.460 0.029 0.000 1.276 46 Y HN -0.112 nan 8.280 nan 0.000 0.499 47 K N 1.264 121.876 120.400 0.355 0.000 2.453 47 K HA 0.300 4.621 4.320 0.000 0.000 0.280 47 K C 0.134 176.917 176.600 0.306 0.000 1.045 47 K CA 0.597 57.067 56.287 0.305 0.000 1.059 47 K CB -0.222 32.522 32.500 0.405 0.000 0.901 47 K HN 0.950 nan 8.250 nan 0.000 0.475 48 G N 2.618 111.522 108.800 0.174 0.000 2.568 48 G HA2 0.033 3.993 3.960 0.000 0.000 0.293 48 G HA3 0.033 3.993 3.960 0.000 0.000 0.293 48 G C 0.578 175.552 174.900 0.124 0.000 1.347 48 G CA -0.555 44.633 45.100 0.147 0.000 1.039 48 G HN 0.745 nan 8.290 nan 0.000 0.523 49 N N -1.120 117.624 118.700 0.074 0.000 2.258 49 N HA -0.088 4.653 4.740 0.000 0.000 0.187 49 N C 0.782 176.242 175.510 -0.084 0.000 1.012 49 N CA 1.625 54.669 53.050 -0.010 0.000 0.870 49 N CB 0.037 38.508 38.487 -0.027 0.000 0.977 49 N HN 0.612 nan 8.380 nan 0.000 0.434 50 S N -2.873 112.784 115.700 -0.072 0.000 2.588 50 S HA 0.132 4.602 4.470 0.000 0.000 0.269 50 S C 0.344 174.885 174.600 -0.099 0.000 1.157 50 S CA -0.823 57.322 58.200 -0.092 0.000 0.824 50 S CB 1.158 64.298 63.200 -0.100 0.000 1.126 50 S HN 0.174 nan 8.310 nan 0.000 0.464 51 Q N 0.705 120.446 119.800 -0.099 0.000 2.112 51 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 51 Q C 1.923 177.803 176.000 -0.200 0.000 0.987 51 Q CA 2.139 57.868 55.803 -0.124 0.000 0.858 51 Q CB -0.599 28.078 28.738 -0.103 0.000 0.905 51 Q HN 0.953 nan 8.270 nan 0.000 0.420 52 A N 0.641 123.349 122.820 -0.186 0.000 2.235 52 A HA -0.055 4.265 4.320 0.000 0.000 0.208 52 A C 0.563 177.978 177.584 -0.281 0.000 1.172 52 A CA 0.193 52.090 52.037 -0.233 0.000 0.786 52 A CB -0.225 18.677 19.000 -0.164 0.000 0.804 52 A HN 0.463 nan 8.150 nan 0.000 0.479 53 D N 0.102 120.358 120.400 -0.240 0.000 2.488 53 D HA 0.052 4.692 4.640 0.000 0.000 0.238 53 D C 1.030 177.098 176.300 -0.386 0.000 1.138 53 D CA 0.091 53.946 54.000 -0.242 0.000 0.873 53 D CB 1.139 41.855 40.800 -0.139 0.000 1.183 53 D HN 0.035 nan 8.370 nan 0.000 0.458 54 V N 3.536 123.157 119.914 -0.489 0.000 2.867 54 V HA -0.031 4.090 4.120 0.000 0.000 0.260 54 V C 1.853 177.683 176.094 -0.439 0.000 1.099 54 V CA 1.792 63.737 62.300 -0.591 0.000 1.122 54 V CB -0.296 30.907 31.823 -1.035 0.000 0.708 54 V HN 0.953 nan 8.190 nan 0.000 0.490 55 G N -2.072 106.500 108.800 -0.380 0.000 2.421 55 G HA2 -0.232 3.728 3.960 0.000 0.000 0.188 55 G HA3 -0.232 3.728 3.960 0.000 0.000 0.188 55 G C 0.516 175.170 174.900 -0.410 0.000 1.001 55 G CA 0.135 44.983 45.100 -0.420 0.000 0.693 55 G HN 0.381 nan 8.290 nan 0.000 0.479 56 Y N 1.352 121.674 120.300 0.037 0.000 2.519 56 Y HA 0.334 4.884 4.550 0.000 0.000 0.287 56 Y C 2.417 178.438 175.900 0.202 0.000 1.128 56 Y CA 0.859 59.049 58.100 0.150 0.000 1.282 56 Y CB 0.177 38.771 38.460 0.223 0.000 1.027 56 Y HN 0.311 nan 8.280 nan 0.000 0.551 57 G N 0.557 109.482 108.800 0.208 0.000 3.581 57 G HA2 0.377 4.337 3.960 0.000 0.000 0.255 57 G HA3 0.377 4.337 3.960 0.000 0.000 0.255 57 G C 0.079 175.077 174.900 0.163 0.000 1.121 57 G CA -0.134 45.081 45.100 0.192 0.000 1.739 57 G HN 0.327 nan 8.290 nan 0.000 0.646 58 A N 0.561 123.462 122.820 0.135 0.000 2.553 58 A HA 0.242 4.562 4.320 0.000 0.000 0.258 58 A C 0.611 178.252 177.584 0.095 0.000 1.069 58 A CA 0.035 52.125 52.037 0.088 0.000 0.767 58 A CB 0.185 19.146 19.000 -0.065 0.000 0.997 58 A HN 0.701 nan 8.150 nan 0.000 0.512 59 Y N 2.140 122.491 120.300 0.086 0.000 2.265 59 Y HA 0.235 4.785 4.550 0.000 0.000 0.290 59 Y C 0.275 176.296 175.900 0.202 0.000 1.137 59 Y CA 1.110 59.336 58.100 0.209 0.000 1.147 59 Y CB 0.506 39.111 38.460 0.241 0.000 1.104 59 Y HN 0.562 nan 8.280 nan 0.000 0.514 60 D N 0.225 120.559 120.400 -0.110 0.000 2.473 60 D HA 0.228 4.868 4.640 0.000 0.000 0.253 60 D C 0.373 176.498 176.300 -0.293 0.000 1.233 60 D CA -0.154 53.639 54.000 -0.345 0.000 0.908 60 D CB 0.845 41.523 40.800 -0.204 0.000 1.170 60 D HN 0.329 nan 8.370 nan 0.000 0.558 61 L N 2.678 123.474 121.223 -0.711 0.000 2.353 61 L HA -0.122 4.218 4.340 0.000 0.000 0.220 61 L C 0.974 177.588 176.870 -0.427 0.000 1.133 61 L CA 0.868 55.072 54.840 -1.061 0.000 0.798 61 L CB -0.298 40.435 42.059 -2.211 0.000 0.922 61 L HN 0.514 nan 8.230 nan 0.000 0.445 62 Y N -1.482 118.696 120.300 -0.204 0.000 2.457 62 Y HA 0.066 4.617 4.550 0.000 0.000 0.263 62 Y C 0.811 176.915 175.900 0.340 0.000 1.164 62 Y CA -0.336 57.728 58.100 -0.059 0.000 1.274 62 Y CB 0.165 38.435 38.460 -0.316 0.000 1.097 62 Y HN 0.009 nan 8.280 nan 0.000 0.523 63 D N 0.708 121.387 120.400 0.466 0.000 2.485 63 D HA 0.188 4.829 4.640 0.000 0.000 0.221 63 D C -0.127 176.458 176.300 0.475 0.000 1.112 63 D CA -0.055 54.301 54.000 0.594 0.000 0.911 63 D CB 0.283 41.429 40.800 0.576 0.000 1.019 63 D HN 0.213 nan 8.370 nan 0.000 0.516 64 L N 2.943 124.440 121.223 0.457 0.000 2.862 64 L HA 0.321 4.661 4.340 0.000 0.000 0.240 64 L C 1.249 178.285 176.870 0.277 0.000 1.283 64 L CA -0.234 54.839 54.840 0.388 0.000 1.117 64 L CB -0.361 41.926 42.059 0.380 0.000 1.444 64 L HN 0.645 nan 8.230 nan 0.000 0.456 65 G N 1.059 110.003 108.800 0.241 0.000 2.303 65 G HA2 -0.264 3.696 3.960 0.000 0.000 0.260 65 G HA3 -0.264 3.696 3.960 0.000 0.000 0.260 65 G C 0.377 175.316 174.900 0.065 0.000 1.106 65 G CA 0.502 45.707 45.100 0.175 0.000 0.900 65 G HN 0.620 nan 8.290 nan 0.000 0.495 66 E N -1.429 118.729 120.200 -0.071 0.000 2.441 66 E HA 0.393 4.743 4.350 0.000 0.000 0.212 66 E C 0.117 176.385 176.600 -0.554 0.000 0.840 66 E CA -0.208 55.964 56.400 -0.380 0.000 1.143 66 E CB 0.484 29.808 29.700 -0.626 0.000 1.153 66 E HN 0.367 nan 8.360 nan 0.000 0.539 67 F N 0.911 120.980 119.950 0.198 0.000 2.556 67 F HA 0.377 4.904 4.527 0.000 0.000 0.327 67 F C 0.193 176.085 175.800 0.153 0.000 1.059 67 F CA -1.392 56.709 58.000 0.169 0.000 0.953 67 F CB 0.822 39.935 39.000 0.189 0.000 1.227 67 F HN -0.208 nan 8.300 nan 0.000 0.478 68 N N 2.435 121.323 118.700 0.314 0.000 2.448 68 N HA 0.189 4.929 4.740 0.000 0.000 0.250 68 N C -1.345 174.286 175.510 0.203 0.000 1.136 68 N CA 0.073 53.243 53.050 0.201 0.000 0.953 68 N CB -0.113 38.460 38.487 0.143 0.000 1.251 68 N HN 0.659 nan 8.380 nan 0.000 0.502 69 Q N 1.851 121.765 119.800 0.190 0.000 2.418 69 Q HA 0.338 4.678 4.340 0.000 0.000 0.282 69 Q C -0.375 175.635 176.000 0.016 0.000 1.044 69 Q CA -0.967 54.921 55.803 0.141 0.000 0.813 69 Q CB 1.644 30.569 28.738 0.312 0.000 1.428 69 Q HN 0.171 nan 8.270 nan 0.000 0.402 70 K N -0.344 119.979 120.400 -0.130 0.000 3.209 70 K HA -0.218 4.102 4.320 0.000 0.000 0.289 70 K C 0.453 176.999 176.600 -0.089 0.000 1.191 70 K CA 1.183 57.359 56.287 -0.185 0.000 0.851 70 K CB -2.160 30.208 32.500 -0.220 0.000 1.242 70 K HN 1.258 nan 8.250 nan 0.000 0.480 71 G N -1.041 107.734 108.800 -0.042 0.000 2.132 71 G HA2 -0.248 3.712 3.960 0.000 0.000 0.228 71 G HA3 -0.248 3.712 3.960 0.000 0.000 0.228 71 G C 0.012 174.907 174.900 -0.010 0.000 1.000 71 G CA 1.095 46.180 45.100 -0.025 0.000 0.693 71 G HN 0.987 nan 8.290 nan 0.000 0.515 72 T N -2.749 111.814 114.554 0.015 0.000 2.907 72 T HA 0.466 4.816 4.350 0.000 0.000 0.344 72 T C 0.924 175.663 174.700 0.065 0.000 1.675 72 T CA 0.460 62.575 62.100 0.024 0.000 1.076 72 T CB 1.352 70.218 68.868 -0.003 0.000 1.483 72 T HN 0.594 nan 8.240 nan 0.000 0.487 73 V N 2.934 122.886 119.914 0.063 0.000 2.391 73 V HA 0.227 4.347 4.120 0.000 0.000 0.237 73 V C 1.558 177.702 176.094 0.083 0.000 1.046 73 V CA 1.215 63.566 62.300 0.085 0.000 1.053 73 V CB -0.553 31.309 31.823 0.065 0.000 0.704 73 V HN 0.888 nan 8.190 nan 0.000 0.475 74 R N 1.748 122.284 120.500 0.059 0.000 2.707 74 R HA 0.265 4.605 4.340 0.000 0.000 0.270 74 R C 0.324 176.651 176.300 0.045 0.000 1.083 74 R CA 0.321 56.462 56.100 0.068 0.000 1.182 74 R CB 0.140 30.466 30.300 0.044 0.000 1.084 74 R HN 0.432 nan 8.270 nan 0.000 0.528 75 T N -1.910 112.679 114.554 0.058 0.000 2.852 75 T HA 0.124 4.474 4.350 0.000 0.000 0.281 75 T C 1.074 175.650 174.700 -0.208 0.000 0.993 75 T CA -0.617 61.468 62.100 -0.025 0.000 0.933 75 T CB 0.904 69.816 68.868 0.073 0.000 1.187 75 T HN 0.782 nan 8.240 nan 0.000 0.559 76 K N -0.657 119.471 120.400 -0.453 0.000 2.103 76 K HA -0.158 4.162 4.320 0.000 0.000 0.207 76 K C 1.650 177.785 176.600 -0.775 0.000 1.048 76 K CA 1.495 57.374 56.287 -0.681 0.000 0.930 76 K CB -0.390 31.503 32.500 -1.011 0.000 0.716 76 K HN 0.702 nan 8.250 nan 0.000 0.444 77 Y N -0.462 119.560 120.300 -0.462 0.000 2.475 77 Y HA 0.221 4.771 4.550 0.000 0.000 0.289 77 Y C 1.323 176.775 175.900 -0.748 0.000 1.121 77 Y CA 0.542 58.161 58.100 -0.802 0.000 1.257 77 Y CB 0.437 37.968 38.460 -1.548 0.000 1.026 77 Y HN 0.298 nan 8.280 nan 0.000 0.555 78 G N -0.745 107.928 108.800 -0.212 0.000 2.340 78 G HA2 0.202 4.163 3.960 0.000 0.000 0.282 78 G HA3 0.202 4.163 3.960 0.000 0.000 0.282 78 G C -0.803 174.303 174.900 0.343 0.000 1.312 78 G CA -0.629 44.535 45.100 0.106 0.000 0.942 78 G HN 0.170 nan 8.290 nan 0.000 0.495 79 T N -1.552 113.203 114.554 0.334 0.000 2.918 79 T HA 0.541 4.892 4.350 0.000 0.000 0.283 79 T C 1.396 176.224 174.700 0.212 0.000 1.001 79 T CA 0.516 62.753 62.100 0.228 0.000 1.041 79 T CB 1.975 70.917 68.868 0.124 0.000 1.028 79 T HN 0.882 nan 8.240 nan 0.000 0.511 80 K N 0.757 121.229 120.400 0.119 0.000 2.074 80 K HA -0.139 4.181 4.320 0.000 0.000 0.209 80 K C 2.360 178.949 176.600 -0.019 0.000 1.048 80 K CA 1.498 57.812 56.287 0.044 0.000 0.926 80 K CB -0.844 31.692 32.500 0.060 0.000 0.713 80 K HN 0.746 nan 8.250 nan 0.000 0.444 81 A N 0.822 123.650 122.820 0.013 0.000 1.930 81 A HA -0.192 4.128 4.320 0.000 0.000 0.217 81 A C 1.952 179.524 177.584 -0.019 0.000 1.175 81 A CA 1.492 53.526 52.037 -0.005 0.000 0.627 81 A CB -0.415 18.591 19.000 0.011 0.000 0.815 81 A HN 0.504 nan 8.150 nan 0.000 0.443 82 Q N -1.076 118.742 119.800 0.031 0.000 2.172 82 Q HA -0.066 4.274 4.340 0.000 0.000 0.200 82 Q C 2.039 178.023 176.000 -0.027 0.000 0.964 82 Q CA 1.165 57.006 55.803 0.063 0.000 0.855 82 Q CB -0.298 28.562 28.738 0.203 0.000 0.918 82 Q HN 0.608 nan 8.270 nan 0.000 0.444 83 L N 1.352 122.409 121.223 -0.277 0.000 1.994 83 L HA -0.168 4.173 4.340 0.000 0.000 0.208 83 L C 1.787 178.401 176.870 -0.427 0.000 1.071 83 L CA 1.905 56.263 54.840 -0.803 0.000 0.745 83 L CB -0.409 40.965 42.059 -1.140 0.000 0.892 83 L HN 0.096 nan 8.230 nan 0.000 0.431 84 E N -0.419 119.618 120.200 -0.272 0.000 2.085 84 E HA -0.298 4.052 4.350 0.000 0.000 0.194 84 E C 2.309 178.836 176.600 -0.122 0.000 0.994 84 E CA 1.444 57.732 56.400 -0.187 0.000 0.801 84 E CB -0.316 29.308 29.700 -0.126 0.000 0.743 84 E HN 0.485 nan 8.360 nan 0.000 0.453 85 R N 0.856 121.309 120.500 -0.079 0.000 2.081 85 R HA -0.153 4.188 4.340 0.000 0.000 0.235 85 R C 2.256 178.605 176.300 0.081 0.000 1.131 85 R CA 1.366 57.459 56.100 -0.011 0.000 0.960 85 R CB -0.199 30.072 30.300 -0.048 0.000 0.856 85 R HN 0.164 nan 8.270 nan 0.000 0.436 86 A N 1.215 124.055 122.820 0.033 0.000 1.858 86 A HA -0.134 4.186 4.320 0.000 0.000 0.216 86 A C 2.189 179.738 177.584 -0.058 0.000 1.190 86 A CA 1.519 53.592 52.037 0.060 0.000 0.617 86 A CB -0.580 18.437 19.000 0.027 0.000 0.827 86 A HN 0.373 nan 8.150 nan 0.000 0.443 87 I N -0.136 120.350 120.570 -0.140 0.000 2.194 87 I HA -0.269 3.901 4.170 0.000 0.000 0.246 87 I C 2.674 178.721 176.117 -0.117 0.000 1.093 87 I CA 1.203 62.408 61.300 -0.159 0.000 1.355 87 I CB -0.686 37.190 38.000 -0.206 0.000 1.046 87 I HN 0.429 nan 8.210 nan 0.000 0.413 88 G N -0.395 108.355 108.800 -0.082 0.000 2.440 88 G HA2 -0.316 3.645 3.960 0.000 0.000 0.218 88 G HA3 -0.316 3.645 3.960 0.000 0.000 0.218 88 G C 1.775 176.635 174.900 -0.066 0.000 1.154 88 G CA 1.115 46.179 45.100 -0.061 0.000 0.767 88 G HN 0.405 nan 8.290 nan 0.000 0.552 89 S N -0.153 115.507 115.700 -0.067 0.000 2.368 89 S HA 0.015 4.485 4.470 0.000 0.000 0.224 89 S C 2.445 176.948 174.600 -0.161 0.000 1.029 89 S CA 0.978 59.079 58.200 -0.165 0.000 0.988 89 S CB -0.264 62.702 63.200 -0.391 0.000 0.838 89 S HN 0.339 nan 8.310 nan 0.000 0.462 90 L N 1.056 122.190 121.223 -0.149 0.000 2.017 90 L HA -0.124 4.216 4.340 0.000 0.000 0.208 90 L C 2.826 179.623 176.870 -0.122 0.000 1.073 90 L CA 1.298 56.051 54.840 -0.146 0.000 0.745 90 L CB -0.543 41.423 42.059 -0.154 0.000 0.894 90 L HN 0.242 nan 8.230 nan 0.000 0.432 91 K N 0.324 120.656 120.400 -0.112 0.000 2.009 91 K HA -0.164 4.156 4.320 0.000 0.000 0.210 91 K C 2.209 178.759 176.600 -0.083 0.000 1.049 91 K CA 1.926 58.156 56.287 -0.096 0.000 0.929 91 K CB -0.800 31.645 32.500 -0.091 0.000 0.714 91 K HN 0.432 nan 8.250 nan 0.000 0.440 92 S N 0.999 116.650 115.700 -0.081 0.000 2.500 92 S HA -0.040 4.431 4.470 0.000 0.000 0.239 92 S C 1.140 175.697 174.600 -0.072 0.000 0.989 92 S CA 0.731 58.890 58.200 -0.070 0.000 0.951 92 S CB -0.141 63.021 63.200 -0.064 0.000 0.759 92 S HN 0.190 nan 8.310 nan 0.000 0.523 93 N N 1.553 120.203 118.700 -0.084 0.000 2.273 93 N HA 0.104 4.844 4.740 0.000 0.000 0.231 93 N C -0.971 174.496 175.510 -0.072 0.000 1.134 93 N CA 0.194 53.196 53.050 -0.079 0.000 0.856 93 N CB 0.237 38.667 38.487 -0.095 0.000 1.068 93 N HN 0.332 nan 8.380 nan 0.000 0.510 94 D N 0.855 121.213 120.400 -0.070 0.000 2.723 94 D HA -0.183 4.457 4.640 0.000 0.000 0.236 94 D C -0.269 175.988 176.300 -0.073 0.000 1.138 94 D CA 0.801 54.762 54.000 -0.065 0.000 0.676 94 D CB -1.225 39.543 40.800 -0.052 0.000 1.069 94 D HN 0.427 nan 8.370 nan 0.000 0.430 95 I N 0.742 121.257 120.570 -0.092 0.000 2.436 95 I HA 0.156 4.327 4.170 0.000 0.000 0.289 95 I C 0.581 176.614 176.117 -0.141 0.000 1.010 95 I CA -0.740 60.493 61.300 -0.112 0.000 1.098 95 I CB 1.558 39.485 38.000 -0.122 0.000 1.266 95 I HN -0.191 nan 8.210 nan 0.000 0.434 96 N N 4.810 123.405 118.700 -0.176 0.000 2.482 96 N HA 0.286 5.026 4.740 0.000 0.000 0.260 96 N C -0.731 174.574 175.510 -0.342 0.000 1.236 96 N CA -0.135 52.780 53.050 -0.225 0.000 0.938 96 N CB 2.002 40.349 38.487 -0.232 0.000 1.128 96 N HN 0.190 nan 8.380 nan 0.000 0.448 97 V N 2.962 122.731 119.914 -0.243 0.000 2.378 97 V HA 0.288 4.409 4.120 0.000 0.000 0.288 97 V C -1.079 175.017 176.094 0.003 0.000 1.016 97 V CA -0.722 61.471 62.300 -0.178 0.000 0.840 97 V CB 0.429 32.173 31.823 -0.132 0.000 0.994 97 V HN 0.418 nan 8.190 nan 0.000 0.431 98 Y N 2.399 122.762 120.300 0.105 0.000 2.335 98 Y HA 0.729 5.279 4.550 0.000 0.000 0.338 98 Y C 0.783 176.824 175.900 0.234 0.000 0.977 98 Y CA -1.446 56.738 58.100 0.140 0.000 1.114 98 Y CB 1.864 40.451 38.460 0.211 0.000 1.182 98 Y HN 0.692 nan 8.280 nan 0.000 0.463 99 G N 2.173 111.216 108.800 0.406 0.000 2.356 99 G HA2 0.210 4.171 3.960 0.000 0.000 0.298 99 G HA3 0.210 4.171 3.960 0.000 0.000 0.298 99 G C -0.754 174.502 174.900 0.593 0.000 1.145 99 G CA -0.519 44.862 45.100 0.470 0.000 0.850 99 G HN 0.512 nan 8.290 nan 0.000 0.487 100 D N 0.916 121.658 120.400 0.570 0.000 2.390 100 D HA 0.235 4.875 4.640 0.000 0.000 0.249 100 D C -0.292 176.323 176.300 0.526 0.000 1.144 100 D CA 0.126 54.427 54.000 0.503 0.000 0.880 100 D CB 1.583 42.698 40.800 0.525 0.000 1.182 100 D HN -0.003 nan 8.370 nan 0.000 0.451 101 V N 4.498 124.659 119.914 0.412 0.000 2.407 101 V HA 0.229 4.350 4.120 0.000 0.000 0.291 101 V C 0.029 176.218 176.094 0.158 0.000 1.018 101 V CA -0.850 61.656 62.300 0.343 0.000 0.842 101 V CB 1.854 33.777 31.823 0.166 0.000 0.996 101 V HN 0.322 nan 8.190 nan 0.000 0.426 102 V N 6.826 126.802 119.914 0.103 0.000 2.293 102 V HA 0.386 4.506 4.120 0.000 0.000 0.275 102 V C 0.423 176.317 176.094 -0.333 0.000 1.021 102 V CA -0.043 62.224 62.300 -0.055 0.000 0.815 102 V CB 1.136 32.982 31.823 0.039 0.000 1.025 102 V HN 0.925 nan 8.190 nan 0.000 0.448 103 M N 2.167 121.598 119.600 -0.281 0.000 2.300 103 M HA 0.176 4.656 4.480 0.000 0.000 0.313 103 M C 1.593 177.841 176.300 -0.086 0.000 0.988 103 M CA 0.046 55.187 55.300 -0.265 0.000 1.012 103 M CB 0.217 32.696 32.600 -0.201 0.000 1.586 103 M HN 0.658 nan 8.290 nan 0.000 0.562 104 N N 1.411 120.045 118.700 -0.111 0.000 2.244 104 N HA -0.094 4.646 4.740 0.000 0.000 0.183 104 N C 0.429 175.978 175.510 0.066 0.000 1.016 104 N CA 1.166 54.258 53.050 0.070 0.000 0.866 104 N CB 0.331 38.901 38.487 0.138 0.000 0.980 104 N HN 0.466 nan 8.380 nan 0.000 0.430 105 H N -3.414 115.610 119.070 -0.075 0.000 2.928 105 H HA 0.535 5.091 4.556 0.000 0.000 0.285 105 H C -1.117 174.106 175.328 -0.175 0.000 1.438 105 H CA -0.947 55.050 56.048 -0.085 0.000 1.176 105 H CB 0.726 30.437 29.762 -0.084 0.000 1.864 105 H HN -0.167 nan 8.280 nan 0.000 0.567 106 K N 0.247 120.634 120.400 -0.021 0.000 2.512 106 K HA 0.630 4.950 4.320 0.000 0.000 0.263 106 K C -1.009 175.701 176.600 0.183 0.000 0.966 106 K CA -0.743 55.469 56.287 -0.125 0.000 0.851 106 K CB 3.291 35.470 32.500 -0.535 0.000 1.395 106 K HN 0.506 nan 8.250 nan 0.000 0.440 107 M N -0.551 119.222 119.600 0.289 0.000 2.683 107 M HA 0.343 4.823 4.480 0.000 0.000 0.274 107 M C -0.073 176.440 176.300 0.355 0.000 1.272 107 M CA -0.359 55.110 55.300 0.281 0.000 0.833 107 M CB 2.316 35.023 32.600 0.177 0.000 1.708 107 M HN 0.867 nan 8.290 nan 0.000 0.463 108 G N 1.022 109.886 108.800 0.107 0.000 2.182 108 G HA2 -0.077 3.883 3.960 0.000 0.000 0.248 108 G HA3 -0.077 3.883 3.960 0.000 0.000 0.248 108 G C 0.039 174.902 174.900 -0.061 0.000 1.042 108 G CA 0.153 45.246 45.100 -0.012 0.000 0.775 108 G HN 1.152 nan 8.290 nan 0.000 0.501 109 A N -0.213 122.437 122.820 -0.283 0.000 2.561 109 A HA 0.424 4.744 4.320 0.000 0.000 0.234 109 A C 1.416 178.836 177.584 -0.274 0.000 1.055 109 A CA 0.913 52.412 52.037 -0.896 0.000 0.756 109 A CB 0.312 18.927 19.000 -0.641 0.000 0.986 109 A HN 0.356 nan 8.150 nan 0.000 0.505 110 D N 0.367 120.560 120.400 -0.345 0.000 2.178 110 D HA 0.023 4.663 4.640 0.000 0.000 0.202 110 D C 0.220 176.681 176.300 0.269 0.000 0.974 110 D CA 1.985 55.997 54.000 0.020 0.000 0.841 110 D CB -0.090 40.774 40.800 0.107 0.000 0.953 110 D HN 0.623 nan 8.370 nan 0.000 0.478 111 F N -1.448 118.533 119.950 0.052 0.000 2.713 111 F HA 0.379 4.906 4.527 0.000 0.000 0.311 111 F C -0.240 175.342 175.800 -0.363 0.000 1.141 111 F CA -1.378 56.542 58.000 -0.133 0.000 0.939 111 F CB 0.865 39.800 39.000 -0.109 0.000 1.325 111 F HN -0.320 nan 8.300 nan 0.000 0.453 112 T N -1.531 112.740 114.554 -0.470 0.000 2.902 112 T HA 0.722 5.073 4.350 0.000 0.000 0.280 112 T C -0.848 173.769 174.700 -0.138 0.000 0.992 112 T CA -0.516 61.250 62.100 -0.557 0.000 1.015 112 T CB 1.745 70.099 68.868 -0.858 0.000 1.044 112 T HN 0.792 nan 8.240 nan 0.000 0.520 113 E N -0.316 119.767 120.200 -0.196 0.000 2.331 113 E HA 0.538 4.888 4.350 0.000 0.000 0.275 113 E C -1.066 175.323 176.600 -0.352 0.000 0.895 113 E CA -1.259 55.059 56.400 -0.137 0.000 0.753 113 E CB 2.241 31.960 29.700 0.030 0.000 1.216 113 E HN 0.927 nan 8.360 nan 0.000 0.434 114 A N 2.092 124.691 122.820 -0.367 0.000 2.451 114 A HA 0.446 4.767 4.320 0.000 0.000 0.266 114 A C -0.333 176.806 177.584 -0.740 0.000 1.119 114 A CA -0.102 51.654 52.037 -0.468 0.000 0.786 114 A CB 0.089 18.885 19.000 -0.340 0.000 1.061 114 A HN 0.274 nan 8.150 nan 0.000 0.503 115 V N 3.756 123.173 119.914 -0.830 0.000 2.760 115 V HA 0.257 4.378 4.120 0.000 0.000 0.309 115 V C -0.452 175.138 176.094 -0.840 0.000 1.077 115 V CA -0.952 60.658 62.300 -1.150 0.000 0.910 115 V CB 1.950 32.857 31.823 -1.528 0.000 1.008 115 V HN 0.905 nan 8.190 nan 0.000 0.424 116 Q N 2.681 122.052 119.800 -0.716 0.000 2.286 116 Q HA 0.668 5.008 4.340 0.000 0.000 0.267 116 Q C -0.037 175.728 176.000 -0.393 0.000 1.028 116 Q CA 0.193 55.731 55.803 -0.442 0.000 0.901 116 Q CB 1.660 30.237 28.738 -0.268 0.000 1.183 116 Q HN 0.958 nan 8.270 nan 0.000 0.392 117 A N 2.025 124.610 122.820 -0.390 0.000 2.593 117 A HA 0.813 5.133 4.320 0.000 0.000 0.290 117 A C -0.986 176.495 177.584 -0.171 0.000 1.126 117 A CA -0.580 51.318 52.037 -0.232 0.000 0.695 117 A CB 1.575 20.389 19.000 -0.311 0.000 1.290 117 A HN 0.496 nan 8.150 nan 0.000 0.414 118 V N -1.776 118.171 119.914 0.054 0.000 2.925 118 V HA 0.704 4.824 4.120 0.000 0.000 0.311 118 V C -0.854 175.397 176.094 0.261 0.000 1.104 118 V CA -0.799 61.583 62.300 0.137 0.000 0.954 118 V CB 1.464 33.348 31.823 0.101 0.000 1.022 118 V HN 0.936 nan 8.190 nan 0.000 0.427 119 Q N 1.982 121.907 119.800 0.209 0.000 2.259 119 Q HA 0.701 5.042 4.340 0.000 0.000 0.249 119 Q C -0.191 175.856 176.000 0.078 0.000 0.914 119 Q CA -0.604 55.218 55.803 0.031 0.000 0.904 119 Q CB 2.092 30.780 28.738 -0.084 0.000 1.213 119 Q HN 1.032 nan 8.270 nan 0.000 0.428 120 V N -0.928 119.032 119.914 0.078 0.000 3.103 120 V HA 0.493 4.614 4.120 0.000 0.000 0.318 120 V C -0.410 175.738 176.094 0.089 0.000 1.114 120 V CA -1.304 61.081 62.300 0.142 0.000 1.020 120 V CB 1.864 33.856 31.823 0.283 0.000 1.085 120 V HN 0.709 nan 8.190 nan 0.000 0.446 121 N N 2.262 121.020 118.700 0.097 0.000 2.431 121 N HA 0.323 5.063 4.740 0.000 0.000 0.265 121 N C -1.768 173.753 175.510 0.017 0.000 1.184 121 N CA -1.749 51.335 53.050 0.057 0.000 0.943 121 N CB 1.087 39.614 38.487 0.067 0.000 1.080 121 N HN 0.430 nan 8.380 nan 0.000 0.477 122 P HA -0.167 nan 4.420 nan 0.000 0.217 122 P C 0.646 177.894 177.300 -0.087 0.000 1.151 122 P CA 1.784 64.860 63.100 -0.041 0.000 0.849 122 P CB 0.085 31.768 31.700 -0.028 0.000 0.787 123 T N -6.606 107.909 114.554 -0.064 0.000 3.122 123 T HA 0.158 4.508 4.350 0.000 0.000 0.250 123 T C 0.566 175.221 174.700 -0.076 0.000 1.067 123 T CA -0.129 61.917 62.100 -0.089 0.000 0.966 123 T CB -0.595 68.242 68.868 -0.051 0.000 1.002 123 T HN -0.101 nan 8.240 nan 0.000 0.542 124 N N 0.561 119.229 118.700 -0.054 0.000 2.946 124 N HA 0.232 4.972 4.740 0.000 0.000 0.213 124 N C 0.158 175.679 175.510 0.018 0.000 1.440 124 N CA -0.289 52.757 53.050 -0.007 0.000 0.745 124 N CB 0.820 39.359 38.487 0.087 0.000 1.471 124 N HN -0.057 nan 8.380 nan 0.000 0.569 125 R N -0.079 120.340 120.500 -0.135 0.000 2.355 125 R HA 0.020 4.360 4.340 0.000 0.000 0.219 125 R C 1.149 177.634 176.300 0.308 0.000 1.107 125 R CA 1.192 57.279 56.100 -0.022 0.000 1.021 125 R CB -0.260 29.715 30.300 -0.541 0.000 0.852 125 R HN 0.611 nan 8.270 nan 0.000 0.475 126 W N 0.059 121.489 121.300 0.217 0.000 2.518 126 W HA 0.029 4.689 4.660 0.000 0.000 0.273 126 W C 0.857 177.467 176.519 0.151 0.000 1.247 126 W CA -0.439 57.027 57.345 0.202 0.000 1.288 126 W CB 0.276 29.798 29.460 0.103 0.000 1.107 126 W HN 0.070 nan 8.180 nan 0.000 0.586 127 Q N 2.020 122.035 119.800 0.358 0.000 2.349 127 Q HA 0.063 4.404 4.340 0.000 0.000 0.254 127 Q C -1.055 175.057 176.000 0.187 0.000 0.980 127 Q CA -0.392 55.545 55.803 0.224 0.000 0.924 127 Q CB 0.549 29.386 28.738 0.164 0.000 1.209 127 Q HN -0.120 nan 8.270 nan 0.000 0.445 128 D N 3.821 124.319 120.400 0.163 0.000 2.382 128 D HA 0.098 4.738 4.640 0.000 0.000 0.245 128 D C 0.865 177.228 176.300 0.104 0.000 1.120 128 D CA 0.153 54.234 54.000 0.134 0.000 0.890 128 D CB 0.864 41.732 40.800 0.113 0.000 1.201 128 D HN 0.661 nan 8.370 nan 0.000 0.433 129 I N -1.596 119.031 120.570 0.094 0.000 4.240 129 I HA 0.226 4.397 4.170 0.000 0.000 0.331 129 I C 0.091 176.249 176.117 0.068 0.000 1.381 129 I CA -0.323 61.021 61.300 0.073 0.000 1.136 129 I CB 0.357 38.395 38.000 0.064 0.000 1.137 129 I HN 0.174 nan 8.210 nan 0.000 0.411 130 S N 0.104 115.859 115.700 0.091 0.000 2.607 130 S HA 0.799 5.270 4.470 0.000 0.000 0.273 130 S C -0.012 174.667 174.600 0.131 0.000 1.148 130 S CA -0.229 58.037 58.200 0.110 0.000 0.833 130 S CB 1.428 64.727 63.200 0.165 0.000 1.130 130 S HN 0.244 nan 8.310 nan 0.000 0.470 131 G N 0.228 109.108 108.800 0.134 0.000 2.580 131 G HA2 0.602 4.562 3.960 0.000 0.000 0.278 131 G HA3 0.602 4.562 3.960 0.000 0.000 0.278 131 G C 0.148 175.160 174.900 0.186 0.000 1.212 131 G CA -0.497 44.677 45.100 0.123 0.000 0.939 131 G HN 1.345 nan 8.290 nan 0.000 0.513 132 A N -0.265 122.628 122.820 0.120 0.000 2.409 132 A HA 0.652 4.972 4.320 0.000 0.000 0.262 132 A C -0.575 177.096 177.584 0.145 0.000 1.113 132 A CA -0.176 51.908 52.037 0.077 0.000 0.790 132 A CB -0.209 18.800 19.000 0.015 0.000 1.046 132 A HN 1.328 nan 8.150 nan 0.000 0.496 133 Y N -1.017 119.255 120.300 -0.047 0.000 2.655 133 Y HA 0.703 5.253 4.550 0.000 0.000 0.336 133 Y C -0.318 175.486 175.900 -0.159 0.000 1.154 133 Y CA -1.062 56.999 58.100 -0.065 0.000 1.055 133 Y CB 0.712 39.172 38.460 -0.001 0.000 1.295 133 Y HN 0.363 nan 8.280 nan 0.000 0.465 134 T N 4.505 119.017 114.554 -0.072 0.000 2.743 134 T HA 0.551 4.901 4.350 0.000 0.000 0.293 134 T C -0.068 174.387 174.700 -0.408 0.000 0.945 134 T CA -0.380 61.539 62.100 -0.302 0.000 1.030 134 T CB -0.132 68.595 68.868 -0.234 0.000 0.912 134 T HN 0.697 nan 8.240 nan 0.000 0.483 135 I N -0.433 119.764 120.570 -0.621 0.000 3.023 135 I HA 0.708 4.878 4.170 0.000 0.000 0.312 135 I C -1.017 174.755 176.117 -0.575 0.000 1.056 135 I CA -1.155 59.745 61.300 -0.666 0.000 1.033 135 I CB 2.102 39.566 38.000 -0.893 0.000 1.233 135 I HN 0.220 nan 8.210 nan 0.000 0.462 136 D N 3.449 123.543 120.400 -0.510 0.000 2.349 136 D HA 0.579 5.219 4.640 0.000 0.000 0.232 136 D C -0.585 175.481 176.300 -0.391 0.000 1.071 136 D CA 0.040 53.778 54.000 -0.437 0.000 0.832 136 D CB 1.968 42.533 40.800 -0.391 0.000 1.086 136 D HN 0.775 nan 8.370 nan 0.000 0.504 137 A N 2.415 125.030 122.820 -0.342 0.000 2.330 137 A HA 0.435 4.755 4.320 0.000 0.000 0.327 137 A C -0.799 176.694 177.584 -0.151 0.000 1.155 137 A CA -0.804 51.149 52.037 -0.140 0.000 0.803 137 A CB 0.640 19.654 19.000 0.024 0.000 1.208 137 A HN 0.552 nan 8.150 nan 0.000 0.477 138 W N 2.463 123.766 121.300 0.005 0.000 2.351 138 W HA 0.313 4.973 4.660 0.000 0.000 0.421 138 W C 0.990 177.417 176.519 -0.154 0.000 1.000 138 W CA 0.661 57.956 57.345 -0.083 0.000 1.610 138 W CB 0.447 29.882 29.460 -0.043 0.000 1.700 138 W HN 0.816 nan 8.180 nan 0.000 0.351 139 T N -1.479 113.059 114.554 -0.026 0.000 2.975 139 T HA 0.234 4.584 4.350 0.000 0.000 0.261 139 T C 0.856 175.641 174.700 0.142 0.000 0.984 139 T CA -0.116 62.056 62.100 0.119 0.000 0.911 139 T CB 0.272 69.352 68.868 0.354 0.000 1.127 139 T HN 0.219 nan 8.240 nan 0.000 0.514 140 G N 1.368 109.842 108.800 -0.544 0.000 2.338 140 G HA2 0.537 4.497 3.960 0.000 0.000 0.295 140 G HA3 0.537 4.497 3.960 0.000 0.000 0.295 140 G C -1.164 173.175 174.900 -0.935 0.000 1.132 140 G CA -0.459 43.964 45.100 -1.129 0.000 0.922 140 G HN 0.306 nan 8.290 nan 0.000 0.427 141 F N 1.504 121.259 119.950 -0.324 0.000 2.460 141 F HA 0.377 4.904 4.527 0.000 0.000 0.341 141 F C 0.382 175.872 175.800 -0.516 0.000 1.130 141 F CA -1.179 56.576 58.000 -0.408 0.000 0.962 141 F CB 2.531 41.224 39.000 -0.512 0.000 1.171 141 F HN 0.369 nan 8.300 nan 0.000 0.436 142 D N 2.484 122.732 120.400 -0.254 0.000 2.479 142 D HA 0.090 4.730 4.640 0.000 0.000 0.216 142 D C 0.211 176.498 176.300 -0.022 0.000 1.110 142 D CA 0.344 54.294 54.000 -0.083 0.000 0.841 142 D CB 0.228 41.118 40.800 0.149 0.000 1.040 142 D HN 0.398 nan 8.370 nan 0.000 0.505 143 F N 1.106 121.251 119.950 0.324 0.000 2.943 143 F HA -0.263 4.264 4.527 0.000 0.000 0.258 143 F C 1.712 177.612 175.800 0.166 0.000 0.995 143 F CA -0.006 58.160 58.000 0.277 0.000 0.896 143 F CB -2.781 36.299 39.000 0.133 0.000 0.821 143 F HN -0.191 nan 8.300 nan 0.000 0.828 144 S N 0.781 116.644 115.700 0.270 0.000 2.401 144 S HA -0.301 4.170 4.470 0.000 0.000 0.236 144 S C 2.390 177.068 174.600 0.129 0.000 1.058 144 S CA 1.999 60.299 58.200 0.167 0.000 1.151 144 S CB -0.777 62.508 63.200 0.141 0.000 1.049 144 S HN 0.838 nan 8.310 nan 0.000 0.432 145 G N 0.543 109.440 108.800 0.162 0.000 2.535 145 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 145 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 145 G C 1.282 176.186 174.900 0.007 0.000 1.122 145 G CA 0.854 46.040 45.100 0.143 0.000 0.769 145 G HN 0.476 nan 8.290 nan 0.000 0.549 146 R N -0.073 120.320 120.500 -0.179 0.000 2.161 146 R HA 0.023 4.363 4.340 0.000 0.000 0.213 146 R C 1.069 177.037 176.300 -0.552 0.000 1.055 146 R CA 0.688 56.282 56.100 -0.844 0.000 0.996 146 R CB -0.165 29.685 30.300 -0.751 0.000 0.901 146 R HN 0.209 nan 8.270 nan 0.000 0.456 147 N N 0.826 119.397 118.700 -0.216 0.000 2.754 147 N HA -0.198 4.542 4.740 0.000 0.000 0.248 147 N C -1.173 174.238 175.510 -0.166 0.000 1.093 147 N CA 0.926 53.895 53.050 -0.134 0.000 0.699 147 N CB -1.204 37.221 38.487 -0.103 0.000 1.016 147 N HN 0.520 nan 8.380 nan 0.000 0.552 148 N N -3.520 115.078 118.700 -0.171 0.000 2.741 148 N HA -0.238 4.503 4.740 0.000 0.000 0.251 148 N C -0.046 175.294 175.510 -0.283 0.000 1.112 148 N CA 1.224 54.166 53.050 -0.179 0.000 0.750 148 N CB -1.531 36.897 38.487 -0.099 0.000 1.119 148 N HN 0.665 nan 8.380 nan 0.000 0.561 149 A N -0.453 122.112 122.820 -0.424 0.000 2.477 149 A HA 0.384 4.704 4.320 0.000 0.000 0.246 149 A C 0.942 178.151 177.584 -0.625 0.000 1.078 149 A CA 0.546 52.237 52.037 -0.577 0.000 0.770 149 A CB 0.049 18.615 19.000 -0.724 0.000 1.011 149 A HN 0.365 nan 8.150 nan 0.000 0.494 150 Y N -0.073 120.103 120.300 -0.207 0.000 3.299 150 Y HA -0.248 4.303 4.550 0.000 0.000 0.448 150 Y C 0.830 176.370 175.900 -0.601 0.000 1.224 150 Y CA 1.456 59.314 58.100 -0.402 0.000 2.431 150 Y CB -1.858 36.163 38.460 -0.733 0.000 0.866 150 Y HN 1.418 nan 8.280 nan 0.000 0.499 151 S N -0.001 115.377 115.700 -0.537 0.000 2.560 151 S HA 0.513 4.984 4.470 0.000 0.000 0.283 151 S C -0.786 173.645 174.600 -0.283 0.000 1.141 151 S CA -0.172 57.733 58.200 -0.491 0.000 0.902 151 S CB 1.212 63.818 63.200 -0.991 0.000 1.104 151 S HN 0.301 nan 8.310 nan 0.000 0.454 152 D N 2.288 122.626 120.400 -0.103 0.000 2.463 152 D HA 0.195 4.835 4.640 0.000 0.000 0.224 152 D C -0.023 176.301 176.300 0.040 0.000 1.174 152 D CA -0.309 53.676 54.000 -0.026 0.000 0.829 152 D CB -0.272 40.510 40.800 -0.031 0.000 0.993 152 D HN 0.293 nan 8.370 nan 0.000 0.497 153 F N 2.090 122.002 119.950 -0.064 0.000 2.484 153 F HA 0.318 4.845 4.527 0.000 0.000 0.360 153 F C 0.133 175.992 175.800 0.098 0.000 1.101 153 F CA -0.177 57.785 58.000 -0.062 0.000 1.251 153 F CB 0.639 39.553 39.000 -0.144 0.000 1.132 153 F HN -0.307 nan 8.300 nan 0.000 0.570 154 K N 5.602 125.795 120.400 -0.345 0.000 2.316 154 K HA 0.230 4.550 4.320 0.000 0.000 0.251 154 K C -1.591 174.913 176.600 -0.159 0.000 0.934 154 K CA -0.508 55.775 56.287 -0.006 0.000 0.802 154 K CB 1.549 34.035 32.500 -0.024 0.000 1.171 154 K HN 0.620 nan 8.250 nan 0.000 0.426 155 W N 1.432 122.811 121.300 0.132 0.000 2.438 155 W HA 0.446 5.106 4.660 0.001 0.000 0.324 155 W C 0.542 177.175 176.519 0.191 0.000 1.119 155 W CA -0.291 57.196 57.345 0.235 0.000 1.221 155 W CB 1.029 30.569 29.460 0.135 0.000 1.253 155 W HN 0.305 nan 8.180 nan 0.000 0.555 156 R N 1.916 122.505 120.500 0.149 0.000 2.888 156 R HA 0.299 4.640 4.340 0.000 0.000 0.264 156 R C 1.050 177.217 176.300 -0.221 0.000 1.045 156 R CA -1.002 54.922 56.100 -0.294 0.000 0.962 156 R CB 0.264 29.909 30.300 -1.092 0.000 1.210 156 R HN 0.704 nan 8.270 nan 0.000 0.479 157 W N 1.734 122.986 121.300 -0.079 0.000 2.331 157 W HA -0.205 4.456 4.660 0.000 0.000 0.291 157 W C 0.773 177.435 176.519 0.237 0.000 1.214 157 W CA 1.211 58.719 57.345 0.272 0.000 1.228 157 W CB -0.640 28.854 29.460 0.057 0.000 1.135 157 W HN 0.564 nan 8.180 nan 0.000 0.537 158 F N 0.474 119.866 119.950 -0.929 0.000 2.722 158 F HA 0.126 4.653 4.527 0.000 0.000 0.298 158 F C 1.640 177.146 175.800 -0.489 0.000 1.175 158 F CA 1.071 58.476 58.000 -0.992 0.000 1.462 158 F CB -1.723 36.446 39.000 -1.386 0.000 1.111 158 F HN -0.037 nan 8.300 nan 0.000 0.592 159 H N -1.448 117.406 119.070 -0.361 0.000 2.562 159 H HA 0.230 4.786 4.556 0.000 0.000 0.267 159 H C -0.023 175.175 175.328 -0.217 0.000 0.959 159 H CA -0.207 55.659 56.048 -0.303 0.000 1.204 159 H CB 0.173 29.633 29.762 -0.504 0.000 1.430 159 H HN 0.196 nan 8.280 nan 0.000 0.545 160 F N 0.674 120.860 119.950 0.393 0.000 2.525 160 F HA 0.203 4.731 4.527 0.001 0.000 0.346 160 F C 1.058 176.985 175.800 0.211 0.000 1.072 160 F CA -1.045 57.122 58.000 0.278 0.000 1.033 160 F CB 0.684 39.849 39.000 0.275 0.000 1.324 160 F HN 0.046 nan 8.300 nan 0.000 0.491 161 N N -1.139 117.621 118.700 0.099 0.000 2.081 161 N HA 0.373 5.113 4.740 0.000 0.000 0.230 161 N C -0.465 174.691 175.510 -0.590 0.000 1.351 161 N CA 0.197 53.165 53.050 -0.136 0.000 0.840 161 N CB 1.013 39.554 38.487 0.090 0.000 1.189 161 N HN 0.805 nan 8.380 nan 0.000 0.503 162 G N -0.340 108.002 108.800 -0.762 0.000 2.489 162 G HA2 0.555 4.515 3.960 0.000 0.000 0.291 162 G HA3 0.555 4.515 3.960 0.000 0.000 0.291 162 G C -1.735 173.070 174.900 -0.159 0.000 1.487 162 G CA -0.138 44.699 45.100 -0.438 0.000 0.795 162 G HN 0.749 nan 8.290 nan 0.000 0.513 163 V N -2.491 117.377 119.914 -0.077 0.000 3.232 163 V HA 0.854 4.974 4.120 0.000 0.000 0.303 163 V C -0.749 175.340 176.094 -0.007 0.000 1.311 163 V CA -0.179 62.185 62.300 0.107 0.000 1.061 163 V CB 2.229 34.225 31.823 0.287 0.000 1.085 163 V HN 0.957 nan 8.190 nan 0.000 0.447 164 D N -0.829 119.698 120.400 0.212 0.000 2.501 164 D HA 0.178 4.819 4.640 0.000 0.000 0.224 164 D C -0.152 176.435 176.300 0.480 0.000 1.202 164 D CA 0.084 54.212 54.000 0.213 0.000 0.829 164 D CB 0.567 41.516 40.800 0.249 0.000 1.023 164 D HN 0.801 nan 8.370 nan 0.000 0.499 165 W N 1.942 123.454 121.300 0.354 0.000 2.934 165 W HA 0.298 4.958 4.660 0.000 0.000 0.333 165 W C -1.950 174.780 176.519 0.352 0.000 1.035 165 W CA -0.757 56.795 57.345 0.346 0.000 1.256 165 W CB 1.663 31.265 29.460 0.236 0.000 1.306 165 W HN -0.200 nan 8.180 nan 0.000 0.430 166 D N 4.033 124.285 120.400 -0.245 0.000 2.380 166 D HA 0.036 4.676 4.640 0.000 0.000 0.230 166 D C 0.825 176.644 176.300 -0.801 0.000 1.154 166 D CA 0.225 53.951 54.000 -0.456 0.000 0.859 166 D CB 1.655 42.329 40.800 -0.211 0.000 1.045 166 D HN 0.396 nan 8.370 nan 0.000 0.495 167 Q N 3.477 122.961 119.800 -0.526 0.000 2.472 167 Q HA -0.023 4.318 4.340 0.000 0.000 0.208 167 Q C 1.719 177.589 176.000 -0.216 0.000 0.958 167 Q CA 0.955 56.614 55.803 -0.240 0.000 0.932 167 Q CB 0.018 28.809 28.738 0.089 0.000 1.007 167 Q HN 0.585 nan 8.270 nan 0.000 0.508 168 R N -1.154 119.131 120.500 -0.359 0.000 2.055 168 R HA -0.097 4.243 4.340 0.000 0.000 0.228 168 R C 1.075 177.253 176.300 -0.205 0.000 1.143 168 R CA 1.617 57.487 56.100 -0.383 0.000 0.945 168 R CB -0.234 29.641 30.300 -0.707 0.000 0.841 168 R HN 0.431 nan 8.270 nan 0.000 0.429 169 Y N 0.570 120.806 120.300 -0.107 0.000 2.457 169 Y HA 0.207 4.757 4.550 0.000 0.000 0.263 169 Y C -0.155 175.679 175.900 -0.111 0.000 1.164 169 Y CA -0.649 57.411 58.100 -0.067 0.000 1.274 169 Y CB 0.508 38.956 38.460 -0.020 0.000 1.097 169 Y HN 0.193 nan 8.280 nan 0.000 0.523 170 Q N 1.944 121.640 119.800 -0.172 0.000 2.448 170 Q HA -0.201 4.139 4.340 0.000 0.000 0.357 170 Q C -1.083 174.656 176.000 -0.436 0.000 1.443 170 Q CA 0.716 56.262 55.803 -0.428 0.000 0.996 170 Q CB -1.382 27.441 28.738 0.141 0.000 1.180 170 Q HN 0.604 nan 8.270 nan 0.000 0.338 171 E N 0.515 120.305 120.200 -0.683 0.000 2.383 171 E HA 0.443 4.793 4.350 0.000 0.000 0.275 171 E C -0.950 175.642 176.600 -0.014 0.000 0.918 171 E CA -1.064 55.270 56.400 -0.110 0.000 0.764 171 E CB 1.335 31.187 29.700 0.253 0.000 1.252 171 E HN 0.204 nan 8.360 nan 0.000 0.449 172 N N 1.330 120.057 118.700 0.045 0.000 2.426 172 N HA 0.344 5.085 4.740 0.000 0.000 0.275 172 N C -1.218 173.976 175.510 -0.526 0.000 1.019 172 N CA -0.137 52.953 53.050 0.067 0.000 0.941 172 N CB 0.685 39.255 38.487 0.138 0.000 1.123 172 N HN 0.322 nan 8.380 nan 0.000 0.486 173 H N 0.832 119.816 119.070 -0.144 0.000 3.037 173 H HA 0.255 4.811 4.556 0.000 0.000 0.336 173 H C -0.895 174.079 175.328 -0.591 0.000 1.323 173 H CA -0.617 55.127 56.048 -0.506 0.000 1.159 173 H CB 1.186 30.301 29.762 -1.079 0.000 1.882 173 H HN 0.266 nan 8.280 nan 0.000 0.535 174 I N 2.981 123.366 120.570 -0.310 0.000 2.291 174 I HA 0.139 4.309 4.170 0.000 0.000 0.292 174 I C -0.054 175.934 176.117 -0.214 0.000 1.064 174 I CA 0.170 61.319 61.300 -0.252 0.000 1.269 174 I CB -1.220 36.719 38.000 -0.101 0.000 1.418 174 I HN 0.281 nan 8.210 nan 0.000 0.485 175 F N 5.597 125.534 119.950 -0.021 0.000 2.421 175 F HA 0.495 5.022 4.527 0.000 0.000 0.337 175 F C 0.857 176.669 175.800 0.020 0.000 1.105 175 F CA -0.739 57.280 58.000 0.030 0.000 1.049 175 F CB 1.400 40.420 39.000 0.032 0.000 1.139 175 F HN 0.362 nan 8.300 nan 0.000 0.479 176 R N 3.717 124.313 120.500 0.161 0.000 2.343 176 R HA 0.388 4.728 4.340 0.000 0.000 0.320 176 R C -1.248 175.070 176.300 0.029 0.000 0.956 176 R CA -0.742 55.192 56.100 -0.276 0.000 0.836 176 R CB 0.516 30.427 30.300 -0.648 0.000 1.151 176 R HN 0.385 nan 8.270 nan 0.000 0.450 177 F N 2.890 122.780 119.950 -0.099 0.000 2.590 177 F HA 0.059 4.587 4.527 0.000 0.000 0.389 177 F C 1.144 176.924 175.800 -0.033 0.000 1.049 177 F CA -0.523 57.467 58.000 -0.018 0.000 1.199 177 F CB -0.203 38.900 39.000 0.171 0.000 1.058 177 F HN 0.620 nan 8.300 nan 0.000 0.556 178 A N 4.661 127.551 122.820 0.117 0.000 2.565 178 A HA 0.108 4.429 4.320 0.000 0.000 0.237 178 A C 1.025 178.674 177.584 0.109 0.000 1.053 178 A CA 0.001 52.074 52.037 0.059 0.000 0.755 178 A CB -0.237 18.763 19.000 -0.001 0.000 0.980 178 A HN 0.868 nan 8.150 nan 0.000 0.506 179 N N -0.738 118.010 118.700 0.080 0.000 2.776 179 N HA -0.146 4.594 4.740 0.000 0.000 0.249 179 N C -0.026 175.563 175.510 0.131 0.000 1.111 179 N CA 1.643 54.751 53.050 0.097 0.000 0.711 179 N CB -1.835 36.717 38.487 0.108 0.000 1.065 179 N HN 1.342 nan 8.380 nan 0.000 0.556 180 T N -2.885 111.732 114.554 0.105 0.000 2.909 180 T HA 0.671 5.021 4.350 0.000 0.000 0.299 180 T C -0.321 174.380 174.700 0.002 0.000 1.073 180 T CA -0.879 61.286 62.100 0.108 0.000 0.999 180 T CB 2.207 71.191 68.868 0.192 0.000 1.098 180 T HN 0.081 nan 8.240 nan 0.000 0.477 181 N N 0.217 118.946 118.700 0.048 0.000 2.443 181 N HA 0.510 5.251 4.740 0.000 0.000 0.293 181 N C -1.049 174.559 175.510 0.163 0.000 1.159 181 N CA -0.813 52.286 53.050 0.082 0.000 0.904 181 N CB 1.063 39.654 38.487 0.175 0.000 1.214 181 N HN 0.678 nan 8.380 nan 0.000 0.513 182 W N 0.897 122.353 121.300 0.261 0.000 2.190 182 W HA 0.172 4.833 4.660 0.000 0.000 0.330 182 W C 0.812 177.518 176.519 0.311 0.000 1.299 182 W CA -0.662 56.816 57.345 0.220 0.000 1.215 182 W CB 0.407 29.916 29.460 0.082 0.000 1.147 182 W HN 0.320 nan 8.180 nan 0.000 0.563 183 N N 1.881 120.943 118.700 0.604 0.000 2.273 183 N HA -0.058 4.682 4.740 0.000 0.000 0.227 183 N C -0.675 175.213 175.510 0.629 0.000 1.292 183 N CA 0.655 54.025 53.050 0.533 0.000 0.875 183 N CB 0.467 39.213 38.487 0.431 0.000 1.105 183 N HN 0.490 nan 8.380 nan 0.000 0.434 184 W N 0.559 122.066 121.300 0.346 0.000 3.645 184 W HA 0.167 4.827 4.660 0.000 0.000 0.285 184 W C -0.981 175.762 176.519 0.373 0.000 1.266 184 W CA -0.496 57.010 57.345 0.268 0.000 1.212 184 W CB 1.217 30.867 29.460 0.316 0.000 1.306 184 W HN 0.430 nan 8.180 nan 0.000 0.552 185 R N 3.196 123.474 120.500 -0.369 0.000 2.490 185 R HA 0.574 4.914 4.340 0.000 0.000 0.278 185 R C -0.490 174.967 176.300 -1.404 0.000 1.069 185 R CA 0.004 55.163 56.100 -1.569 0.000 1.080 185 R CB 1.351 30.753 30.300 -1.497 0.000 1.030 185 R HN 0.322 nan 8.270 nan 0.000 0.491 186 V N -0.595 118.524 119.914 -1.325 0.000 3.181 186 V HA 0.344 4.465 4.120 0.000 0.000 0.308 186 V C -0.691 175.129 176.094 -0.457 0.000 1.214 186 V CA -1.271 60.576 62.300 -0.756 0.000 1.053 186 V CB 1.601 33.308 31.823 -0.193 0.000 1.069 186 V HN 0.834 nan 8.190 nan 0.000 0.441 187 D N 0.582 120.939 120.400 -0.072 0.000 2.506 187 D HA 0.075 4.715 4.640 0.000 0.000 0.234 187 D C 0.800 177.143 176.300 0.071 0.000 1.143 187 D CA 0.719 54.753 54.000 0.056 0.000 0.871 187 D CB 0.790 41.582 40.800 -0.012 0.000 1.190 187 D HN 0.767 nan 8.370 nan 0.000 0.459 188 E N 1.540 121.801 120.200 0.101 0.000 2.465 188 E HA 0.022 4.372 4.350 0.000 0.000 0.195 188 E C -0.131 176.511 176.600 0.069 0.000 1.028 188 E CA -0.130 56.356 56.400 0.143 0.000 0.899 188 E CB 0.273 30.110 29.700 0.229 0.000 1.032 188 E HN 0.515 nan 8.360 nan 0.000 0.468 189 E N 1.746 121.978 120.200 0.054 0.000 2.360 189 E HA -0.032 4.319 4.350 0.000 0.000 0.269 189 E C -0.046 176.380 176.600 -0.290 0.000 1.022 189 E CA 0.043 56.407 56.400 -0.060 0.000 0.887 189 E CB 0.262 29.970 29.700 0.012 0.000 0.990 189 E HN 0.069 nan 8.360 nan 0.000 0.426 190 N N 2.708 121.253 118.700 -0.259 0.000 2.829 190 N HA -0.242 4.498 4.740 0.000 0.000 0.250 190 N C 0.629 175.994 175.510 -0.243 0.000 1.090 190 N CA 0.906 53.775 53.050 -0.302 0.000 0.781 190 N CB -1.562 36.594 38.487 -0.551 0.000 1.124 190 N HN 0.877 nan 8.380 nan 0.000 0.559 191 G N 0.745 109.472 108.800 -0.121 0.000 5.155 191 G HA2 -0.376 3.584 3.960 0.000 0.000 0.239 191 G HA3 -0.376 3.584 3.960 0.000 0.000 0.239 191 G C -0.197 174.532 174.900 -0.285 0.000 1.409 191 G CA 0.618 45.669 45.100 -0.081 0.000 0.927 191 G HN 0.668 nan 8.290 nan 0.000 0.710 192 N N -0.322 117.996 118.700 -0.637 0.000 2.461 192 N HA 0.424 5.164 4.740 0.000 0.000 0.284 192 N C -1.114 174.147 175.510 -0.414 0.000 1.049 192 N CA -0.511 52.169 53.050 -0.617 0.000 0.889 192 N CB 1.199 38.872 38.487 -1.356 0.000 1.365 192 N HN 0.194 nan 8.380 nan 0.000 0.499 193 Y N 2.670 122.814 120.300 -0.260 0.000 2.811 193 Y HA 0.142 4.693 4.550 0.000 0.000 0.330 193 Y C 1.319 177.172 175.900 -0.079 0.000 1.081 193 Y CA -0.776 57.232 58.100 -0.154 0.000 1.408 193 Y CB -0.287 38.145 38.460 -0.046 0.000 1.235 193 Y HN 0.640 nan 8.280 nan 0.000 0.529 194 D N -0.344 120.016 120.400 -0.066 0.000 2.117 194 D HA -0.210 4.431 4.640 0.000 0.000 0.198 194 D C 0.136 176.404 176.300 -0.052 0.000 0.982 194 D CA 1.013 55.005 54.000 -0.012 0.000 0.828 194 D CB -0.169 40.662 40.800 0.052 0.000 0.967 194 D HN 0.229 nan 8.370 nan 0.000 0.464 195 Y N 0.265 120.356 120.300 -0.348 0.000 2.336 195 Y HA 0.336 4.887 4.550 0.000 0.000 0.335 195 Y C 0.492 176.283 175.900 -0.181 0.000 1.046 195 Y CA -0.449 57.503 58.100 -0.247 0.000 1.198 195 Y CB 1.121 39.366 38.460 -0.359 0.000 1.182 195 Y HN -0.009 nan 8.280 nan 0.000 0.502 196 L N 6.366 126.898 121.223 -1.152 0.000 2.675 196 L HA 0.492 4.832 4.340 0.000 0.000 0.178 196 L C -0.935 175.372 176.870 -0.939 0.000 1.135 196 L CA 0.794 55.081 54.840 -0.921 0.000 0.855 196 L CB 0.300 41.710 42.059 -1.082 0.000 1.235 196 L HN 0.628 nan 8.230 nan 0.000 0.499 197 L N -3.875 116.667 121.223 -1.134 0.000 2.892 197 L HA 0.750 5.091 4.340 0.000 0.000 0.269 197 L C 0.114 176.717 176.870 -0.446 0.000 1.058 197 L CA -0.518 53.956 54.840 -0.609 0.000 0.923 197 L CB 0.909 42.710 42.059 -0.429 0.000 1.518 197 L HN 0.455 nan 8.230 nan 0.000 0.402 198 G N 1.169 109.935 108.800 -0.057 0.000 2.601 198 G HA2 -0.216 3.744 3.960 0.000 0.000 0.261 198 G HA3 -0.216 3.744 3.960 0.000 0.000 0.261 198 G C -0.279 174.742 174.900 0.202 0.000 1.289 198 G CA 0.046 45.184 45.100 0.062 0.000 0.920 198 G HN 1.029 nan 8.290 nan 0.000 0.571 199 S N 0.715 116.477 115.700 0.104 0.000 2.411 199 S HA 0.426 4.896 4.470 0.000 0.000 0.294 199 S C 0.310 175.005 174.600 0.160 0.000 1.115 199 S CA -0.279 57.896 58.200 -0.042 0.000 1.071 199 S CB 1.145 63.938 63.200 -0.680 0.000 0.967 199 S HN 0.766 nan 8.310 nan 0.000 0.488 200 N N 3.176 122.076 118.700 0.333 0.000 2.442 200 N HA 0.172 4.912 4.740 0.000 0.000 0.265 200 N C -0.449 175.317 175.510 0.427 0.000 1.138 200 N CA -0.113 53.155 53.050 0.364 0.000 0.956 200 N CB 0.201 38.972 38.487 0.474 0.000 1.067 200 N HN 0.522 nan 8.380 nan 0.000 0.474 201 I N 1.842 122.560 120.570 0.246 0.000 2.556 201 I HA -0.009 4.161 4.170 0.000 0.000 0.284 201 I C 0.416 176.408 176.117 -0.209 0.000 1.114 201 I CA 0.128 61.385 61.300 -0.071 0.000 1.418 201 I CB 0.433 38.153 38.000 -0.467 0.000 1.394 201 I HN 0.485 nan 8.210 nan 0.000 0.552 202 D N 6.687 126.994 120.400 -0.155 0.000 2.359 202 D HA 0.154 4.794 4.640 0.000 0.000 0.230 202 D C 0.303 176.447 176.300 -0.259 0.000 1.118 202 D CA -0.274 53.687 54.000 -0.065 0.000 0.844 202 D CB 0.688 41.523 40.800 0.058 0.000 1.059 202 D HN 0.276 nan 8.370 nan 0.000 0.493 203 F N 1.423 121.376 119.950 0.004 0.000 2.811 203 F HA -0.049 4.478 4.527 0.000 0.000 0.301 203 F C 2.571 178.466 175.800 0.158 0.000 1.151 203 F CA 0.039 57.992 58.000 -0.079 0.000 1.412 203 F CB -0.041 38.726 39.000 -0.388 0.000 1.113 203 F HN 0.339 nan 8.300 nan 0.000 0.579 204 S N -1.322 114.492 115.700 0.191 0.000 2.419 204 S HA -0.144 4.327 4.470 0.000 0.000 0.233 204 S C 0.731 175.358 174.600 0.045 0.000 1.016 204 S CA 0.619 58.899 58.200 0.133 0.000 0.974 204 S CB -0.721 62.459 63.200 -0.033 0.000 0.786 204 S HN 0.283 nan 8.310 nan 0.000 0.492 205 H N 2.704 121.872 119.070 0.163 0.000 2.767 205 H HA 0.257 4.813 4.556 0.000 0.000 0.316 205 H C -1.821 173.574 175.328 0.113 0.000 1.059 205 H CA -1.958 54.158 56.048 0.114 0.000 1.461 205 H CB 0.551 30.372 29.762 0.099 0.000 1.475 205 H HN 0.197 nan 8.280 nan 0.000 0.531 206 P HA -0.172 nan 4.420 nan 0.000 0.216 206 P C 1.492 178.875 177.300 0.139 0.000 1.150 206 P CA 1.283 64.489 63.100 0.176 0.000 0.837 206 P CB 0.434 32.216 31.700 0.137 0.000 0.786 207 E N -0.450 119.827 120.200 0.127 0.000 2.204 207 E HA -0.102 4.248 4.350 0.000 0.000 0.195 207 E C 1.909 178.497 176.600 -0.020 0.000 0.990 207 E CA 1.155 57.612 56.400 0.095 0.000 0.821 207 E CB -1.436 28.344 29.700 0.133 0.000 0.750 207 E HN 0.146 nan 8.360 nan 0.000 0.477 208 V N 1.574 121.455 119.914 -0.055 0.000 2.407 208 V HA -0.211 3.909 4.120 0.000 0.000 0.245 208 V C 2.541 178.566 176.094 -0.116 0.000 1.041 208 V CA 1.713 63.863 62.300 -0.249 0.000 1.040 208 V CB -0.556 31.136 31.823 -0.218 0.000 0.671 208 V HN 0.176 nan 8.190 nan 0.000 0.455 209 Q N -0.129 119.687 119.800 0.027 0.000 2.061 209 Q HA -0.245 4.096 4.340 0.000 0.000 0.204 209 Q C 2.000 178.162 176.000 0.269 0.000 0.984 209 Q CA 1.955 57.868 55.803 0.182 0.000 0.846 209 Q CB -0.238 28.715 28.738 0.359 0.000 0.902 209 Q HN 0.607 nan 8.270 nan 0.000 0.421 210 D N 0.115 120.595 120.400 0.134 0.000 2.149 210 D HA -0.148 4.492 4.640 0.000 0.000 0.201 210 D C 1.798 178.122 176.300 0.040 0.000 0.972 210 D CA 1.032 55.078 54.000 0.078 0.000 0.835 210 D CB -0.112 40.728 40.800 0.067 0.000 0.966 210 D HN 0.191 nan 8.370 nan 0.000 0.476 211 E N 1.186 121.334 120.200 -0.087 0.000 2.058 211 E HA -0.122 4.228 4.350 0.000 0.000 0.194 211 E C 2.119 178.741 176.600 0.037 0.000 0.997 211 E CA 0.920 57.180 56.400 -0.233 0.000 0.801 211 E CB -0.529 28.577 29.700 -0.989 0.000 0.746 211 E HN 0.238 nan 8.360 nan 0.000 0.450 212 L N -0.044 121.269 121.223 0.150 0.000 2.275 212 L HA -0.085 4.256 4.340 0.000 0.000 0.215 212 L C 2.467 179.730 176.870 0.655 0.000 1.119 212 L CA 1.055 56.156 54.840 0.434 0.000 0.790 212 L CB -0.252 42.070 42.059 0.438 0.000 0.919 212 L HN 0.105 nan 8.230 nan 0.000 0.443 213 K N -0.218 120.441 120.400 0.431 0.000 2.031 213 K HA -0.120 4.200 4.320 0.000 0.000 0.205 213 K C 1.680 178.372 176.600 0.154 0.000 1.049 213 K CA 1.200 57.583 56.287 0.160 0.000 0.939 213 K CB -0.039 32.242 32.500 -0.365 0.000 0.717 213 K HN 0.210 nan 8.250 nan 0.000 0.438 214 D N 0.136 120.643 120.400 0.178 0.000 2.117 214 D HA -0.190 4.450 4.640 0.000 0.000 0.197 214 D C 1.575 178.069 176.300 0.323 0.000 0.987 214 D CA 0.890 55.036 54.000 0.243 0.000 0.829 214 D CB -0.264 40.669 40.800 0.222 0.000 0.961 214 D HN 0.296 nan 8.370 nan 0.000 0.460 215 W N 2.233 123.671 121.300 0.230 0.000 2.355 215 W HA -0.084 4.576 4.660 0.000 0.000 0.309 215 W C 2.320 179.007 176.519 0.281 0.000 1.206 215 W CA 2.261 59.702 57.345 0.160 0.000 1.284 215 W CB -0.773 28.584 29.460 -0.172 0.000 1.145 215 W HN -0.031 nan 8.180 nan 0.000 0.502 216 G N -0.275 108.464 108.800 -0.103 0.000 2.469 216 G HA2 -0.402 3.558 3.960 0.000 0.000 0.219 216 G HA3 -0.402 3.558 3.960 0.000 0.000 0.219 216 G C 1.641 176.375 174.900 -0.276 0.000 1.150 216 G CA 1.585 46.501 45.100 -0.307 0.000 0.763 216 G HN 0.386 nan 8.290 nan 0.000 0.561 217 S N -0.920 114.726 115.700 -0.090 0.000 2.387 217 S HA -0.091 4.379 4.470 0.000 0.000 0.226 217 S C 1.936 176.519 174.600 -0.029 0.000 1.026 217 S CA 1.319 59.489 58.200 -0.050 0.000 0.972 217 S CB -0.377 62.849 63.200 0.044 0.000 0.814 217 S HN 0.614 nan 8.310 nan 0.000 0.477 218 W N 1.266 122.509 121.300 -0.095 0.000 2.355 218 W HA -0.092 4.568 4.660 0.000 0.000 0.309 218 W C 1.731 178.198 176.519 -0.088 0.000 1.206 218 W CA 1.454 58.780 57.345 -0.031 0.000 1.284 218 W CB -0.862 28.678 29.460 0.133 0.000 1.145 218 W HN 0.352 nan 8.180 nan 0.000 0.502 219 F N 1.652 121.273 119.950 -0.548 0.000 2.069 219 F HA -0.226 4.301 4.527 0.000 0.000 0.298 219 F C 2.435 177.928 175.800 -0.512 0.000 1.113 219 F CA 2.695 60.275 58.000 -0.700 0.000 1.214 219 F CB -1.109 37.420 39.000 -0.785 0.000 0.978 219 F HN -0.213 nan 8.300 nan 0.000 0.474 220 T N 0.140 114.500 114.554 -0.324 0.000 2.665 220 T HA -0.210 4.140 4.350 0.000 0.000 0.268 220 T C 1.449 175.950 174.700 -0.331 0.000 1.035 220 T CA 1.855 63.792 62.100 -0.271 0.000 1.151 220 T CB -0.431 68.389 68.868 -0.080 0.000 0.862 220 T HN 0.231 nan 8.240 nan 0.000 0.438 221 D N 0.279 120.481 120.400 -0.331 0.000 2.183 221 D HA -0.020 4.620 4.640 0.000 0.000 0.203 221 D C 2.201 178.268 176.300 -0.388 0.000 0.969 221 D CA 0.706 54.528 54.000 -0.297 0.000 0.842 221 D CB -0.290 40.378 40.800 -0.220 0.000 0.957 221 D HN 0.324 nan 8.370 nan 0.000 0.484 222 E N 0.222 120.048 120.200 -0.623 0.000 2.072 222 E HA -0.033 4.317 4.350 0.000 0.000 0.191 222 E C 1.655 177.976 176.600 -0.464 0.000 0.985 222 E CA 0.823 56.829 56.400 -0.656 0.000 0.801 222 E CB -0.032 28.960 29.700 -1.179 0.000 0.750 222 E HN 0.246 nan 8.360 nan 0.000 0.452 223 L N -0.271 120.648 121.223 -0.507 0.000 2.640 223 L HA 0.175 4.515 4.340 0.000 0.000 0.230 223 L C 0.243 176.918 176.870 -0.326 0.000 1.123 223 L CA 0.158 54.746 54.840 -0.421 0.000 0.900 223 L CB 0.152 41.886 42.059 -0.542 0.000 1.146 223 L HN 0.075 nan 8.230 nan 0.000 0.484 224 D N 1.564 121.785 120.400 -0.299 0.000 2.699 224 D HA -0.189 4.452 4.640 0.000 0.000 0.239 224 D C 0.006 176.181 176.300 -0.208 0.000 1.136 224 D CA 0.493 54.360 54.000 -0.221 0.000 0.668 224 D CB -0.985 39.709 40.800 -0.175 0.000 1.060 224 D HN 0.155 nan 8.370 nan 0.000 0.429 225 L N 0.071 121.147 121.223 -0.245 0.000 2.473 225 L HA 0.145 4.485 4.340 0.000 0.000 0.268 225 L C 1.622 178.397 176.870 -0.158 0.000 1.215 225 L CA 0.089 54.808 54.840 -0.201 0.000 0.823 225 L CB 0.321 42.244 42.059 -0.227 0.000 1.099 225 L HN 0.013 nan 8.230 nan 0.000 0.483 226 D N 0.832 121.198 120.400 -0.056 0.000 2.431 226 D HA 0.298 4.938 4.640 0.000 0.000 0.213 226 D C 0.552 176.882 176.300 0.051 0.000 1.130 226 D CA 0.336 54.347 54.000 0.018 0.000 0.834 226 D CB 1.429 42.294 40.800 0.108 0.000 0.985 226 D HN 0.744 nan 8.370 nan 0.000 0.504 227 G N -0.021 108.686 108.800 -0.155 0.000 2.327 227 G HA2 0.330 4.290 3.960 0.000 0.000 0.291 227 G HA3 0.330 4.290 3.960 0.000 0.000 0.291 227 G C -2.088 172.503 174.900 -0.515 0.000 1.290 227 G CA -0.955 43.861 45.100 -0.473 0.000 0.857 227 G HN 0.058 nan 8.290 nan 0.000 0.520 228 Y N -0.985 119.302 120.300 -0.021 0.000 2.615 228 Y HA 0.824 5.374 4.550 0.000 0.000 0.341 228 Y C 0.110 175.968 175.900 -0.070 0.000 1.089 228 Y CA -1.232 56.918 58.100 0.083 0.000 1.049 228 Y CB 2.137 40.719 38.460 0.203 0.000 1.296 228 Y HN 0.546 nan 8.280 nan 0.000 0.470 229 R N 2.589 123.179 120.500 0.152 0.000 2.360 229 R HA 0.494 4.835 4.340 0.000 0.000 0.318 229 R C -2.064 174.263 176.300 0.046 0.000 0.950 229 R CA -0.493 55.545 56.100 -0.104 0.000 0.837 229 R CB 0.774 30.781 30.300 -0.489 0.000 1.165 229 R HN 0.861 nan 8.270 nan 0.000 0.458 230 L N 4.137 125.358 121.223 -0.004 0.000 2.255 230 L HA 0.241 4.582 4.340 0.000 0.000 0.289 230 L C 0.266 177.149 176.870 0.023 0.000 1.046 230 L CA -0.736 54.099 54.840 -0.007 0.000 0.816 230 L CB 1.072 43.089 42.059 -0.071 0.000 1.197 230 L HN 0.550 nan 8.230 nan 0.000 0.427 231 D N 3.312 123.762 120.400 0.082 0.000 2.414 231 D HA 0.270 4.910 4.640 0.000 0.000 0.242 231 D C 0.869 177.183 176.300 0.024 0.000 1.129 231 D CA 0.424 54.498 54.000 0.122 0.000 0.885 231 D CB 1.106 42.068 40.800 0.270 0.000 1.198 231 D HN 0.723 nan 8.370 nan 0.000 0.437 232 A N 3.450 126.273 122.820 0.006 0.000 2.500 232 A HA -0.223 4.097 4.320 0.000 0.000 0.296 232 A C 1.529 179.042 177.584 -0.118 0.000 1.469 232 A CA 1.217 53.244 52.037 -0.016 0.000 0.793 232 A CB -2.116 16.942 19.000 0.097 0.000 1.042 232 A HN 0.710 nan 8.150 nan 0.000 0.409 233 I N -2.265 118.170 120.570 -0.225 0.000 3.083 233 I HA -0.161 4.009 4.170 0.000 0.000 0.273 233 I C 1.815 177.665 176.117 -0.445 0.000 1.297 233 I CA 1.674 62.803 61.300 -0.284 0.000 1.452 233 I CB -0.365 37.465 38.000 -0.285 0.000 1.078 233 I HN 0.616 nan 8.210 nan 0.000 0.484 234 K N 0.461 120.388 120.400 -0.789 0.000 2.418 234 K HA -0.039 4.281 4.320 0.000 0.000 0.195 234 K C 1.230 177.452 176.600 -0.631 0.000 1.035 234 K CA 0.789 56.455 56.287 -1.035 0.000 1.003 234 K CB -0.273 31.139 32.500 -1.813 0.000 0.793 234 K HN 0.451 nan 8.250 nan 0.000 0.494 235 H N 0.282 119.170 119.070 -0.304 0.000 2.551 235 H HA 0.309 4.865 4.556 0.000 0.000 0.271 235 H C 0.025 175.304 175.328 -0.081 0.000 0.984 235 H CA -0.034 55.879 56.048 -0.225 0.000 1.164 235 H CB 0.399 29.977 29.762 -0.307 0.000 1.437 235 H HN 0.134 nan 8.280 nan 0.000 0.550 236 I N 3.647 124.221 120.570 0.007 0.000 2.404 236 I HA 0.200 4.370 4.170 0.000 0.000 0.293 236 I C -2.175 173.922 176.117 -0.032 0.000 0.992 236 I CA -2.355 58.925 61.300 -0.033 0.000 1.149 236 I CB 2.324 40.230 38.000 -0.156 0.000 1.315 236 I HN -0.224 nan 8.210 nan 0.000 0.446 237 P HA -0.108 nan 4.420 nan 0.000 0.258 237 P C 0.536 177.721 177.300 -0.191 0.000 1.172 237 P CA 0.290 63.234 63.100 -0.259 0.000 0.762 237 P CB 0.183 31.616 31.700 -0.446 0.000 0.764 238 F N 3.360 123.210 119.950 -0.166 0.000 2.120 238 F HA -0.179 4.349 4.527 0.000 0.000 0.300 238 F C 2.470 178.181 175.800 -0.148 0.000 1.095 238 F CA 0.727 58.666 58.000 -0.101 0.000 1.249 238 F CB -1.999 36.968 39.000 -0.055 0.000 0.995 238 F HN 0.526 nan 8.300 nan 0.000 0.480 239 W N -0.409 120.992 121.300 0.168 0.000 2.342 239 W HA -0.295 4.365 4.660 0.001 0.000 0.297 239 W C 2.253 178.834 176.519 0.103 0.000 1.213 239 W CA 1.268 58.678 57.345 0.109 0.000 1.251 239 W CB -1.908 27.622 29.460 0.118 0.000 1.136 239 W HN 0.165 nan 8.180 nan 0.000 0.526 240 Y N 2.952 122.699 120.300 -0.921 0.000 2.220 240 Y HA -0.135 4.415 4.550 0.000 0.000 0.291 240 Y C 2.831 178.540 175.900 -0.319 0.000 1.129 240 Y CA 2.981 60.582 58.100 -0.832 0.000 1.161 240 Y CB -0.801 36.769 38.460 -1.484 0.000 0.997 240 Y HN -0.151 nan 8.280 nan 0.000 0.522 241 T N -0.906 113.394 114.554 -0.422 0.000 2.684 241 T HA -0.263 4.087 4.350 0.000 0.000 0.267 241 T C 2.181 176.796 174.700 -0.142 0.000 1.036 241 T CA 1.793 63.728 62.100 -0.275 0.000 1.148 241 T CB -0.715 68.094 68.868 -0.098 0.000 0.863 241 T HN 0.399 nan 8.240 nan 0.000 0.436 242 S N 0.710 116.336 115.700 -0.123 0.000 2.356 242 S HA -0.184 4.287 4.470 0.000 0.000 0.223 242 S C 1.865 176.442 174.600 -0.038 0.000 1.032 242 S CA 1.468 59.626 58.200 -0.070 0.000 1.005 242 S CB -0.625 62.543 63.200 -0.053 0.000 0.867 242 S HN 0.375 nan 8.310 nan 0.000 0.449 243 D N -0.119 120.256 120.400 -0.041 0.000 2.106 243 D HA -0.147 4.493 4.640 0.000 0.000 0.191 243 D C 1.446 177.709 176.300 -0.061 0.000 0.997 243 D CA 1.314 55.311 54.000 -0.006 0.000 0.834 243 D CB -0.530 40.315 40.800 0.076 0.000 0.956 243 D HN 0.646 nan 8.370 nan 0.000 0.448 244 W N 1.564 122.582 121.300 -0.470 0.000 2.333 244 W HA -0.248 4.412 4.660 0.000 0.000 0.316 244 W C 2.328 178.763 176.519 -0.140 0.000 1.215 244 W CA 1.518 58.634 57.345 -0.381 0.000 1.278 244 W CB -0.570 28.520 29.460 -0.617 0.000 1.154 244 W HN -0.229 nan 8.180 nan 0.000 0.486 245 V N 1.302 121.270 119.914 0.089 0.000 2.252 245 V HA -0.373 3.748 4.120 0.000 0.000 0.249 245 V C 2.473 178.499 176.094 -0.113 0.000 1.056 245 V CA 2.537 64.835 62.300 -0.003 0.000 1.022 245 V CB -0.981 30.886 31.823 0.074 0.000 0.641 245 V HN 0.192 nan 8.190 nan 0.000 0.445 246 R N -0.985 119.477 120.500 -0.063 0.000 2.105 246 R HA -0.225 4.115 4.340 0.000 0.000 0.239 246 R C 2.298 178.545 176.300 -0.089 0.000 1.135 246 R CA 1.957 58.022 56.100 -0.058 0.000 0.967 246 R CB -0.551 29.739 30.300 -0.016 0.000 0.861 246 R HN 0.700 nan 8.270 nan 0.000 0.442 247 H N 0.709 119.663 119.070 -0.193 0.000 2.321 247 H HA -0.085 4.471 4.556 0.000 0.000 0.300 247 H C 2.029 177.192 175.328 -0.275 0.000 1.087 247 H CA 1.591 57.514 56.048 -0.209 0.000 1.319 247 H CB 0.187 29.813 29.762 -0.226 0.000 1.379 247 H HN 0.025 nan 8.280 nan 0.000 0.501 248 Q N 0.643 120.192 119.800 -0.418 0.000 2.050 248 Q HA -0.116 4.225 4.340 0.000 0.000 0.202 248 Q C 2.505 178.345 176.000 -0.265 0.000 0.980 248 Q CA 1.461 57.016 55.803 -0.414 0.000 0.840 248 Q CB -0.385 28.047 28.738 -0.509 0.000 0.898 248 Q HN 0.498 nan 8.270 nan 0.000 0.424 249 R N 0.495 120.872 120.500 -0.204 0.000 2.152 249 R HA -0.059 4.281 4.340 0.000 0.000 0.232 249 R C 2.041 178.245 176.300 -0.159 0.000 1.117 249 R CA 0.880 56.891 56.100 -0.149 0.000 0.981 249 R CB -0.088 30.148 30.300 -0.107 0.000 0.870 249 R HN 0.275 nan 8.270 nan 0.000 0.451 250 N N 0.499 119.075 118.700 -0.206 0.000 2.171 250 N HA -0.131 4.609 4.740 0.000 0.000 0.184 250 N C 1.208 176.585 175.510 -0.220 0.000 1.021 250 N CA 1.076 54.007 53.050 -0.199 0.000 0.854 250 N CB 0.273 38.627 38.487 -0.222 0.000 0.994 250 N HN 0.179 nan 8.380 nan 0.000 0.426 251 E N 0.491 120.507 120.200 -0.307 0.000 2.216 251 E HA 0.072 4.423 4.350 0.000 0.000 0.192 251 E C 0.328 176.831 176.600 -0.162 0.000 0.988 251 E CA 0.052 56.305 56.400 -0.244 0.000 0.834 251 E CB -0.053 29.467 29.700 -0.300 0.000 0.772 251 E HN 0.277 nan 8.360 nan 0.000 0.479 252 A N 1.645 124.370 122.820 -0.160 0.000 2.309 252 A HA 0.184 4.504 4.320 0.000 0.000 0.298 252 A C 0.468 177.987 177.584 -0.107 0.000 1.165 252 A CA -0.534 51.427 52.037 -0.127 0.000 0.821 252 A CB 0.631 19.552 19.000 -0.132 0.000 1.102 252 A HN -0.164 nan 8.150 nan 0.000 0.500 253 D N 0.619 120.965 120.400 -0.091 0.000 2.123 253 D HA -0.082 4.558 4.640 0.000 0.000 0.200 253 D C 1.108 177.364 176.300 -0.073 0.000 0.976 253 D CA 1.029 54.984 54.000 -0.075 0.000 0.831 253 D CB -0.046 40.715 40.800 -0.064 0.000 0.974 253 D HN 0.806 nan 8.370 nan 0.000 0.469 254 Q N 2.002 121.754 119.800 -0.080 0.000 2.454 254 Q HA 0.018 4.359 4.340 0.000 0.000 0.247 254 Q C -0.320 175.634 176.000 -0.077 0.000 1.028 254 Q CA 0.121 55.879 55.803 -0.075 0.000 0.910 254 Q CB 0.758 29.446 28.738 -0.082 0.000 1.276 254 Q HN 0.001 nan 8.270 nan 0.000 0.489 255 D N 1.320 121.685 120.400 -0.059 0.000 2.357 255 D HA 0.373 5.014 4.640 0.000 0.000 0.242 255 D C -0.286 175.973 176.300 -0.068 0.000 1.153 255 D CA -0.048 53.920 54.000 -0.052 0.000 0.918 255 D CB 0.734 41.520 40.800 -0.024 0.000 1.181 255 D HN 0.393 nan 8.370 nan 0.000 0.435 256 L N 1.737 122.908 121.223 -0.087 0.000 2.404 256 L HA 0.308 4.648 4.340 0.000 0.000 0.272 256 L C -0.560 176.236 176.870 -0.123 0.000 0.980 256 L CA -0.980 53.763 54.840 -0.162 0.000 0.836 256 L CB 1.352 43.252 42.059 -0.264 0.000 1.238 256 L HN 0.239 nan 8.230 nan 0.000 0.408 257 F N 4.749 124.538 119.950 -0.268 0.000 2.396 257 F HA 0.606 5.133 4.527 0.000 0.000 0.343 257 F C -0.484 175.091 175.800 -0.374 0.000 1.104 257 F CA -0.329 57.490 58.000 -0.301 0.000 1.161 257 F CB 1.180 39.947 39.000 -0.388 0.000 1.146 257 F HN 0.058 nan 8.300 nan 0.000 0.522 258 V N 7.216 126.390 119.914 -1.233 0.000 2.577 258 V HA 0.507 4.627 4.120 0.000 0.000 0.303 258 V C -1.080 174.368 176.094 -1.075 0.000 1.042 258 V CA -0.914 60.879 62.300 -0.844 0.000 0.872 258 V CB 1.472 33.113 31.823 -0.303 0.000 0.998 258 V HN 0.709 nan 8.190 nan 0.000 0.423 259 V N 4.298 123.756 119.914 -0.760 0.000 2.531 259 V HA 0.938 5.059 4.120 0.000 0.000 0.301 259 V C 0.258 176.080 176.094 -0.454 0.000 1.034 259 V CA 0.177 62.089 62.300 -0.648 0.000 0.865 259 V CB 1.749 33.158 31.823 -0.691 0.000 0.995 259 V HN 0.985 nan 8.190 nan 0.000 0.424 260 G N 3.869 112.463 108.800 -0.343 0.000 2.400 260 G HA2 0.497 4.457 3.960 0.000 0.000 0.333 260 G HA3 0.497 4.457 3.960 0.000 0.000 0.333 260 G C -0.749 174.111 174.900 -0.067 0.000 1.143 260 G CA -0.433 44.560 45.100 -0.178 0.000 0.914 260 G HN 0.773 nan 8.290 nan 0.000 0.480 261 E N 1.458 121.703 120.200 0.076 0.000 1.993 261 E HA 0.129 4.480 4.350 0.000 0.000 0.271 261 E C -1.415 175.213 176.600 0.045 0.000 1.008 261 E CA -0.625 55.926 56.400 0.252 0.000 0.814 261 E CB 0.660 30.501 29.700 0.235 0.000 1.098 261 E HN 0.414 nan 8.360 nan 0.000 0.407 262 Y N 5.886 126.131 120.300 -0.092 0.000 2.841 262 Y HA 0.135 4.685 4.550 0.000 0.000 0.329 262 Y C -0.771 175.068 175.900 -0.101 0.000 1.062 262 Y CA -1.008 56.938 58.100 -0.257 0.000 1.281 262 Y CB 0.329 38.499 38.460 -0.483 0.000 1.147 262 Y HN 0.547 nan 8.280 nan 0.000 0.521 263 W N 8.573 129.764 121.300 -0.182 0.000 2.510 263 W HA 0.304 4.964 4.660 0.000 0.000 0.388 263 W C -0.902 175.631 176.519 0.023 0.000 1.092 263 W CA -0.086 57.236 57.345 -0.039 0.000 1.562 263 W CB 0.164 29.568 29.460 -0.093 0.000 1.603 263 W HN 0.487 nan 8.180 nan 0.000 0.396 264 K N 3.655 123.949 120.400 -0.177 0.000 2.561 264 K HA 0.014 4.334 4.320 0.000 0.000 0.254 264 K C -0.886 175.614 176.600 -0.168 0.000 0.942 264 K CA -0.551 55.691 56.287 -0.075 0.000 0.818 264 K CB 1.225 33.805 32.500 0.133 0.000 1.306 264 K HN 0.022 nan 8.250 nan 0.000 0.435 265 D N 3.077 123.359 120.400 -0.197 0.000 2.845 265 D HA 0.074 4.714 4.640 0.000 0.000 0.235 265 D C -1.267 174.969 176.300 -0.106 0.000 1.158 265 D CA 0.363 54.251 54.000 -0.186 0.000 0.990 265 D CB 0.167 40.712 40.800 -0.425 0.000 1.094 265 D HN 0.427 nan 8.370 nan 0.000 0.486 266 D N 2.171 122.528 120.400 -0.071 0.000 2.354 266 D HA -0.064 4.576 4.640 0.000 0.000 0.230 266 D C 0.698 176.970 176.300 -0.047 0.000 1.361 266 D CA -0.503 53.471 54.000 -0.043 0.000 0.992 266 D CB 1.141 41.927 40.800 -0.024 0.000 1.409 266 D HN 0.060 nan 8.370 nan 0.000 0.573 267 V N 4.017 123.913 119.914 -0.029 0.000 2.490 267 V HA -0.057 4.064 4.120 0.000 0.000 0.250 267 V C 2.083 178.175 176.094 -0.004 0.000 1.061 267 V CA 2.804 65.095 62.300 -0.015 0.000 1.064 267 V CB -0.205 31.626 31.823 0.014 0.000 0.670 267 V HN 0.645 nan 8.190 nan 0.000 0.461 268 G N -0.629 108.179 108.800 0.013 0.000 2.446 268 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 268 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 268 G C 1.795 176.706 174.900 0.019 0.000 1.168 268 G CA 1.040 46.167 45.100 0.045 0.000 0.771 268 G HN 0.731 nan 8.290 nan 0.000 0.551 269 A N 0.402 123.192 122.820 -0.050 0.000 1.908 269 A HA 0.010 4.330 4.320 0.000 0.000 0.218 269 A C 2.366 179.711 177.584 -0.398 0.000 1.181 269 A CA 1.679 53.611 52.037 -0.175 0.000 0.627 269 A CB -0.421 18.488 19.000 -0.151 0.000 0.818 269 A HN 0.301 nan 8.150 nan 0.000 0.445 270 L N -0.135 120.866 121.223 -0.370 0.000 2.093 270 L HA -0.145 4.195 4.340 0.000 0.000 0.208 270 L C 2.387 179.068 176.870 -0.316 0.000 1.085 270 L CA 2.020 56.597 54.840 -0.438 0.000 0.755 270 L CB -0.840 41.072 42.059 -0.246 0.000 0.904 270 L HN 0.476 nan 8.230 nan 0.000 0.435 271 E N -1.188 118.919 120.200 -0.157 0.000 2.106 271 E HA -0.238 4.112 4.350 0.000 0.000 0.192 271 E C 2.161 178.681 176.600 -0.133 0.000 0.984 271 E CA 1.123 57.442 56.400 -0.135 0.000 0.806 271 E CB -0.279 29.484 29.700 0.106 0.000 0.750 271 E HN 0.474 nan 8.360 nan 0.000 0.458 272 F N 0.492 120.319 119.950 -0.205 0.000 2.075 272 F HA -0.321 4.206 4.527 0.000 0.000 0.297 272 F C 2.382 178.008 175.800 -0.290 0.000 1.113 272 F CA 1.270 59.173 58.000 -0.161 0.000 1.218 272 F CB -0.143 38.816 39.000 -0.069 0.000 0.984 272 F HN 0.003 nan 8.300 nan 0.000 0.472 273 Y N 1.221 121.417 120.300 -0.175 0.000 2.128 273 Y HA -0.268 4.282 4.550 0.001 0.000 0.284 273 Y C 2.083 177.664 175.900 -0.532 0.000 1.154 273 Y CA 2.013 59.805 58.100 -0.514 0.000 1.149 273 Y CB -0.659 37.258 38.460 -0.905 0.000 0.976 273 Y HN 0.082 nan 8.280 nan 0.000 0.505 274 L N -0.215 120.633 121.223 -0.626 0.000 2.127 274 L HA -0.246 4.094 4.340 0.000 0.000 0.211 274 L C 2.114 178.204 176.870 -1.301 0.000 1.089 274 L CA 1.466 55.620 54.840 -1.142 0.000 0.757 274 L CB -0.551 40.451 42.059 -1.763 0.000 0.899 274 L HN 0.218 nan 8.230 nan 0.000 0.434 275 D N -0.256 119.674 120.400 -0.783 0.000 2.084 275 D HA -0.173 4.467 4.640 0.000 0.000 0.194 275 D C 2.189 178.308 176.300 -0.301 0.000 0.990 275 D CA 1.019 54.813 54.000 -0.343 0.000 0.826 275 D CB 0.043 40.728 40.800 -0.192 0.000 0.971 275 D HN 0.208 nan 8.370 nan 0.000 0.453 276 E N -0.213 119.803 120.200 -0.306 0.000 2.153 276 E HA -0.123 4.228 4.350 0.000 0.000 0.194 276 E C 1.920 178.335 176.600 -0.309 0.000 0.988 276 E CA 0.606 56.876 56.400 -0.217 0.000 0.811 276 E CB -0.138 29.507 29.700 -0.091 0.000 0.746 276 E HN 0.358 nan 8.360 nan 0.000 0.466 277 M N 0.048 119.337 119.600 -0.519 0.000 2.595 277 M HA -0.012 4.468 4.480 0.000 0.000 0.248 277 M C 0.469 176.610 176.300 -0.265 0.000 1.119 277 M CA 0.370 55.409 55.300 -0.436 0.000 1.079 277 M CB -1.145 31.128 32.600 -0.546 0.000 1.472 277 M HN 0.033 nan 8.290 nan 0.000 0.501 278 N N -0.096 118.462 118.700 -0.237 0.000 2.780 278 N HA -0.218 4.522 4.740 0.000 0.000 0.248 278 N C -1.193 174.364 175.510 0.079 0.000 1.102 278 N CA 0.811 53.853 53.050 -0.013 0.000 0.697 278 N CB -1.585 36.903 38.487 0.001 0.000 1.028 278 N HN 0.461 nan 8.380 nan 0.000 0.554 279 W N -1.492 119.665 121.300 -0.239 0.000 5.950 279 W HA -0.242 4.418 4.660 0.000 0.000 0.383 279 W C 0.602 177.053 176.519 -0.113 0.000 1.418 279 W CA 0.732 57.891 57.345 -0.310 0.000 0.994 279 W CB -2.127 27.052 29.460 -0.468 0.000 2.552 279 W HN 0.465 nan 8.180 nan 0.000 1.551 280 E N -0.227 119.963 120.200 -0.018 0.000 2.394 280 E HA 0.188 4.538 4.350 0.000 0.000 0.191 280 E C 0.968 177.548 176.600 -0.033 0.000 1.044 280 E CA 0.531 56.938 56.400 0.010 0.000 0.939 280 E CB -0.131 29.553 29.700 -0.026 0.000 1.089 280 E HN 0.470 nan 8.360 nan 0.000 0.456 281 M N -3.467 116.115 119.600 -0.030 0.000 3.012 281 M HA 0.460 4.940 4.480 0.000 0.000 0.272 281 M C -1.303 174.980 176.300 -0.029 0.000 1.187 281 M CA -0.905 54.320 55.300 -0.125 0.000 0.813 281 M CB 1.755 34.250 32.600 -0.176 0.000 1.626 281 M HN -0.305 nan 8.290 nan 0.000 0.507 282 S N 0.520 116.131 115.700 -0.149 0.000 2.704 282 S HA 0.909 5.379 4.470 0.000 0.000 0.305 282 S C -0.914 173.601 174.600 -0.143 0.000 1.107 282 S CA -0.871 57.321 58.200 -0.013 0.000 0.993 282 S CB 1.567 64.828 63.200 0.102 0.000 1.110 282 S HN 0.577 nan 8.310 nan 0.000 0.534 283 L N 0.843 122.014 121.223 -0.086 0.000 2.371 283 L HA 0.575 4.915 4.340 0.000 0.000 0.262 283 L C -1.204 175.623 176.870 -0.071 0.000 1.006 283 L CA -0.825 53.937 54.840 -0.132 0.000 0.818 283 L CB 1.135 43.148 42.059 -0.077 0.000 1.354 283 L HN 0.520 nan 8.230 nan 0.000 0.415 284 F N 0.536 120.506 119.950 0.034 0.000 2.529 284 F HA 0.003 4.530 4.527 0.000 0.000 0.365 284 F C 1.075 176.995 175.800 0.200 0.000 1.102 284 F CA -0.026 58.044 58.000 0.116 0.000 1.271 284 F CB 0.175 39.142 39.000 -0.054 0.000 1.120 284 F HN 0.368 nan 8.300 nan 0.000 0.579 285 D N 3.863 124.556 120.400 0.487 0.000 2.498 285 D HA 0.059 4.699 4.640 0.000 0.000 0.229 285 D C 1.093 177.487 176.300 0.156 0.000 1.188 285 D CA 0.210 54.346 54.000 0.226 0.000 1.028 285 D CB 0.399 41.265 40.800 0.110 0.000 1.087 285 D HN 0.308 nan 8.370 nan 0.000 0.510 286 V N 4.521 124.488 119.914 0.089 0.000 2.407 286 V HA -0.142 3.979 4.120 0.000 0.000 0.248 286 V C -0.745 175.293 176.094 -0.095 0.000 1.055 286 V CA 1.316 63.527 62.300 -0.148 0.000 1.049 286 V CB -0.963 30.555 31.823 -0.508 0.000 0.662 286 V HN 0.433 nan 8.190 nan 0.000 0.455 287 P HA -0.113 nan 4.420 nan 0.000 0.217 287 P C 1.901 179.111 177.300 -0.150 0.000 1.151 287 P CA 0.941 64.018 63.100 -0.038 0.000 0.828 287 P CB -0.017 31.651 31.700 -0.054 0.000 0.788 288 L N -0.689 120.369 121.223 -0.274 0.000 2.046 288 L HA -0.176 4.164 4.340 0.000 0.000 0.208 288 L C 2.432 178.782 176.870 -0.868 0.000 1.077 288 L CA 1.997 56.504 54.840 -0.555 0.000 0.747 288 L CB -1.488 40.249 42.059 -0.537 0.000 0.896 288 L HN 0.022 nan 8.230 nan 0.000 0.432 289 H N -1.641 116.964 119.070 -0.775 0.000 2.319 289 H HA -0.258 4.298 4.556 0.000 0.000 0.299 289 H C 1.871 176.907 175.328 -0.487 0.000 1.092 289 H CA 2.504 58.093 56.048 -0.765 0.000 1.302 289 H CB -0.540 28.684 29.762 -0.898 0.000 1.373 289 H HN 0.443 nan 8.280 nan 0.000 0.497 290 Y N 0.355 120.409 120.300 -0.410 0.000 2.352 290 Y HA -0.131 4.419 4.550 0.000 0.000 0.292 290 Y C 2.295 178.068 175.900 -0.211 0.000 1.136 290 Y CA 1.129 59.076 58.100 -0.256 0.000 1.227 290 Y CB -0.252 38.164 38.460 -0.074 0.000 0.991 290 Y HN 0.360 nan 8.280 nan 0.000 0.545 291 N N -0.597 117.990 118.700 -0.189 0.000 2.142 291 N HA -0.151 4.589 4.740 0.000 0.000 0.186 291 N C 1.617 176.987 175.510 -0.232 0.000 1.023 291 N CA 1.187 54.141 53.050 -0.158 0.000 0.852 291 N CB -0.650 37.726 38.487 -0.185 0.000 0.998 291 N HN 0.183 nan 8.380 nan 0.000 0.424 292 F N 0.485 120.252 119.950 -0.305 0.000 2.126 292 F HA -0.147 4.381 4.527 0.000 0.000 0.299 292 F C 2.350 177.818 175.800 -0.554 0.000 1.096 292 F CA 0.393 58.167 58.000 -0.376 0.000 1.255 292 F CB -1.356 37.494 39.000 -0.250 0.000 0.997 292 F HN 0.091 nan 8.300 nan 0.000 0.479 293 Y N 0.977 121.049 120.300 -0.380 0.000 2.145 293 Y HA -0.172 4.378 4.550 0.000 0.000 0.286 293 Y C 2.639 178.381 175.900 -0.264 0.000 1.145 293 Y CA 1.605 59.507 58.100 -0.330 0.000 1.148 293 Y CB -0.553 37.706 38.460 -0.335 0.000 0.981 293 Y HN -0.106 nan 8.280 nan 0.000 0.507 294 R N -0.144 120.182 120.500 -0.289 0.000 2.091 294 R HA -0.202 4.138 4.340 0.000 0.000 0.238 294 R C 2.464 178.450 176.300 -0.523 0.000 1.136 294 R CA 1.367 57.284 56.100 -0.305 0.000 0.959 294 R CB -0.633 29.640 30.300 -0.045 0.000 0.856 294 R HN 0.477 nan 8.270 nan 0.000 0.437 295 A N -0.156 122.095 122.820 -0.949 0.000 1.898 295 A HA -0.156 4.164 4.320 0.000 0.000 0.216 295 A C 2.135 179.164 177.584 -0.925 0.000 1.181 295 A CA 1.714 52.916 52.037 -1.392 0.000 0.620 295 A CB -0.572 17.224 19.000 -2.007 0.000 0.819 295 A HN 0.327 nan 8.150 nan 0.000 0.442 296 S N -1.025 114.103 115.700 -0.954 0.000 2.368 296 S HA -0.193 4.277 4.470 0.000 0.000 0.225 296 S C 2.171 176.734 174.600 -0.060 0.000 1.030 296 S CA 1.621 59.515 58.200 -0.510 0.000 0.999 296 S CB -0.334 62.625 63.200 -0.401 0.000 0.844 296 S HN 0.582 nan 8.310 nan 0.000 0.459 297 Q N 0.539 120.163 119.800 -0.293 0.000 2.123 297 Q HA -0.060 4.280 4.340 0.000 0.000 0.199 297 Q C 2.251 178.217 176.000 -0.056 0.000 0.966 297 Q CA 1.193 56.876 55.803 -0.199 0.000 0.845 297 Q CB -0.503 27.972 28.738 -0.439 0.000 0.907 297 Q HN 0.745 nan 8.270 nan 0.000 0.439 298 Q N -0.315 119.452 119.800 -0.055 0.000 2.083 298 Q HA 0.026 4.366 4.340 0.000 0.000 0.198 298 Q C 0.404 176.465 176.000 0.102 0.000 0.969 298 Q CA 1.126 56.955 55.803 0.043 0.000 0.838 298 Q CB 0.263 29.068 28.738 0.111 0.000 0.900 298 Q HN 0.336 nan 8.270 nan 0.000 0.436 299 G N -1.937 106.985 108.800 0.204 0.000 2.500 299 G HA2 -0.214 3.746 3.960 0.000 0.000 0.209 299 G HA3 -0.214 3.746 3.960 0.000 0.000 0.209 299 G C 0.479 175.554 174.900 0.293 0.000 1.283 299 G CA -0.221 44.987 45.100 0.181 0.000 0.960 299 G HN 0.395 nan 8.290 nan 0.000 0.528 300 G N -0.069 108.843 108.800 0.186 0.000 2.462 300 G HA2 0.094 4.054 3.960 0.000 0.000 0.220 300 G HA3 0.094 4.054 3.960 0.000 0.000 0.220 300 G C 2.282 177.339 174.900 0.262 0.000 1.121 300 G CA 2.582 47.842 45.100 0.266 0.000 0.758 300 G HN 2.120 nan 8.290 nan 0.000 0.559 301 S N -0.837 114.971 115.700 0.180 0.000 2.440 301 S HA -0.075 4.395 4.470 0.000 0.000 0.238 301 S C 1.104 175.805 174.600 0.169 0.000 1.010 301 S CA 0.030 58.306 58.200 0.127 0.000 0.972 301 S CB -0.485 62.756 63.200 0.069 0.000 0.774 301 S HN 0.395 nan 8.310 nan 0.000 0.501 302 Y N 3.504 123.876 120.300 0.120 0.000 2.632 302 Y HA 0.184 4.734 4.550 0.000 0.000 0.329 302 Y C 0.219 176.223 175.900 0.173 0.000 1.174 302 Y CA -0.501 57.667 58.100 0.113 0.000 1.469 302 Y CB 0.228 38.743 38.460 0.091 0.000 1.242 302 Y HN 0.102 nan 8.280 nan 0.000 0.540 303 D N 7.361 127.573 120.400 -0.313 0.000 2.359 303 D HA -0.006 4.634 4.640 0.000 0.000 0.250 303 D C 0.876 177.121 176.300 -0.091 0.000 1.264 303 D CA -0.073 53.869 54.000 -0.097 0.000 0.911 303 D CB 0.640 41.374 40.800 -0.111 0.000 1.056 303 D HN 0.694 nan 8.370 nan 0.000 0.499 304 M N 3.171 122.935 119.600 0.273 0.000 2.435 304 M HA -0.130 4.350 4.480 0.000 0.000 0.262 304 M C 1.610 178.146 176.300 0.394 0.000 1.065 304 M CA 0.931 56.494 55.300 0.439 0.000 1.076 304 M CB -0.486 32.395 32.600 0.469 0.000 1.403 304 M HN 0.388 nan 8.290 nan 0.000 0.454 305 R N -0.082 120.580 120.500 0.270 0.000 2.237 305 R HA -0.068 4.273 4.340 0.000 0.000 0.219 305 R C 1.003 177.374 176.300 0.117 0.000 1.080 305 R CA 0.933 57.194 56.100 0.269 0.000 0.995 305 R CB -0.310 30.112 30.300 0.203 0.000 0.875 305 R HN 0.601 nan 8.270 nan 0.000 0.462 306 N N 0.021 118.748 118.700 0.046 0.000 2.230 306 N HA 0.019 4.759 4.740 0.000 0.000 0.202 306 N C 1.065 176.621 175.510 0.077 0.000 1.119 306 N CA -0.276 52.763 53.050 -0.017 0.000 0.851 306 N CB 0.310 38.731 38.487 -0.110 0.000 0.990 306 N HN 0.023 nan 8.380 nan 0.000 0.497 307 I N 1.142 121.849 120.570 0.229 0.000 2.194 307 I HA -0.226 3.945 4.170 0.000 0.000 0.246 307 I C 1.382 177.551 176.117 0.087 0.000 1.093 307 I CA 1.611 63.114 61.300 0.338 0.000 1.355 307 I CB 0.106 38.410 38.000 0.507 0.000 1.046 307 I HN 0.202 nan 8.210 nan 0.000 0.413 308 L N -0.367 120.798 121.223 -0.097 0.000 2.567 308 L HA 0.127 4.467 4.340 0.000 0.000 0.225 308 L C 1.139 177.909 176.870 -0.167 0.000 1.119 308 L CA -0.192 54.534 54.840 -0.190 0.000 0.871 308 L CB -0.352 41.494 42.059 -0.354 0.000 1.036 308 L HN 0.036 nan 8.230 nan 0.000 0.459 309 R N 0.590 121.016 120.500 -0.124 0.000 2.449 309 R HA 0.227 4.567 4.340 0.000 0.000 0.296 309 R C 1.101 177.361 176.300 -0.067 0.000 1.047 309 R CA 1.051 57.094 56.100 -0.094 0.000 1.018 309 R CB 0.330 30.590 30.300 -0.068 0.000 0.962 309 R HN 0.263 nan 8.270 nan 0.000 0.428 310 G N 2.306 111.068 108.800 -0.063 0.000 2.176 310 G HA2 -0.331 3.630 3.960 0.000 0.000 0.253 310 G HA3 -0.331 3.630 3.960 0.000 0.000 0.253 310 G C 0.005 174.873 174.900 -0.053 0.000 0.979 310 G CA 0.346 45.419 45.100 -0.045 0.000 0.641 310 G HN 0.796 nan 8.290 nan 0.000 0.530 311 S N -0.304 115.348 115.700 -0.080 0.000 2.592 311 S HA 0.590 5.060 4.470 0.000 0.000 0.271 311 S C 1.420 175.997 174.600 -0.038 0.000 1.326 311 S CA 0.109 58.255 58.200 -0.090 0.000 1.024 311 S CB 1.865 64.981 63.200 -0.139 0.000 0.921 311 S HN 1.152 nan 8.310 nan 0.000 0.527 312 L N 3.455 124.677 121.223 -0.003 0.000 2.109 312 L HA 0.066 4.406 4.340 0.000 0.000 0.207 312 L C 2.362 179.284 176.870 0.087 0.000 1.086 312 L CA 1.575 56.461 54.840 0.077 0.000 0.760 312 L CB -0.797 41.320 42.059 0.097 0.000 0.910 312 L HN 0.738 nan 8.230 nan 0.000 0.437 313 V N -0.191 119.746 119.914 0.038 0.000 2.490 313 V HA -0.295 3.826 4.120 0.000 0.000 0.250 313 V C 2.537 178.615 176.094 -0.027 0.000 1.061 313 V CA 2.169 64.487 62.300 0.030 0.000 1.064 313 V CB -0.338 31.489 31.823 0.007 0.000 0.670 313 V HN 0.755 nan 8.190 nan 0.000 0.461 314 E N -0.182 119.976 120.200 -0.070 0.000 2.085 314 E HA -0.210 4.140 4.350 0.000 0.000 0.194 314 E C 2.059 178.580 176.600 -0.131 0.000 0.994 314 E CA 1.671 58.004 56.400 -0.111 0.000 0.801 314 E CB -0.282 29.343 29.700 -0.126 0.000 0.743 314 E HN 0.683 nan 8.360 nan 0.000 0.453 315 A N -0.072 122.659 122.820 -0.148 0.000 1.943 315 A HA -0.011 4.309 4.320 0.000 0.000 0.213 315 A C 0.692 177.890 177.584 -0.644 0.000 1.181 315 A CA 0.683 52.496 52.037 -0.373 0.000 0.653 315 A CB 0.102 18.904 19.000 -0.330 0.000 0.833 315 A HN 0.352 nan 8.150 nan 0.000 0.451 316 H N -1.036 118.099 119.070 0.107 0.000 2.514 316 H HA 0.171 4.728 4.556 0.000 0.000 0.226 316 H C -2.244 173.185 175.328 0.169 0.000 1.421 316 H CA -1.177 54.980 56.048 0.183 0.000 1.394 316 H CB 0.477 30.474 29.762 0.392 0.000 1.701 316 H HN 0.336 nan 8.280 nan 0.000 0.515 317 P HA -0.177 nan 4.420 nan 0.000 0.220 317 P C 1.398 178.740 177.300 0.070 0.000 1.144 317 P CA 0.911 64.059 63.100 0.079 0.000 0.800 317 P CB 0.476 32.183 31.700 0.012 0.000 0.772 318 M N -1.385 118.243 119.600 0.047 0.000 2.558 318 M HA 0.003 4.483 4.480 0.000 0.000 0.255 318 M C 1.220 177.340 176.300 -0.300 0.000 1.113 318 M CA 1.162 56.385 55.300 -0.128 0.000 1.097 318 M CB -0.516 31.966 32.600 -0.196 0.000 1.426 318 M HN -0.042 nan 8.290 nan 0.000 0.488 319 H N -1.571 117.634 119.070 0.225 0.000 2.567 319 H HA 0.574 5.130 4.556 0.000 0.000 0.267 319 H C -0.585 174.847 175.328 0.174 0.000 1.148 319 H CA -0.011 56.169 56.048 0.220 0.000 1.031 319 H CB 0.153 30.100 29.762 0.308 0.000 1.691 319 H HN 0.172 nan 8.280 nan 0.000 0.588 320 A N 1.275 124.235 122.820 0.234 0.000 2.331 320 A HA 0.540 4.860 4.320 0.000 0.000 0.320 320 A C -0.332 177.385 177.584 0.220 0.000 1.138 320 A CA -0.525 51.633 52.037 0.202 0.000 0.790 320 A CB 1.518 20.625 19.000 0.178 0.000 1.206 320 A HN 0.068 nan 8.150 nan 0.000 0.470 321 V N 3.394 123.430 119.914 0.204 0.000 2.311 321 V HA 0.374 4.494 4.120 0.000 0.000 0.275 321 V C 0.561 176.902 176.094 0.411 0.000 1.022 321 V CA -0.193 62.248 62.300 0.235 0.000 0.830 321 V CB 1.049 32.874 31.823 0.003 0.000 1.012 321 V HN 1.028 nan 8.190 nan 0.000 0.452 322 T N 3.077 117.846 114.554 0.359 0.000 2.897 322 T HA 0.770 5.120 4.350 0.000 0.000 0.294 322 T C -0.609 174.385 174.700 0.490 0.000 1.004 322 T CA -0.362 61.952 62.100 0.356 0.000 1.106 322 T CB 1.105 70.097 68.868 0.206 0.000 0.949 322 T HN 0.627 nan 8.240 nan 0.000 0.520 323 F N -0.528 119.550 119.950 0.214 0.000 2.713 323 F HA 0.669 5.197 4.527 0.000 0.000 0.311 323 F C -0.240 175.656 175.800 0.160 0.000 1.141 323 F CA -1.563 56.543 58.000 0.177 0.000 0.939 323 F CB 0.508 39.626 39.000 0.196 0.000 1.325 323 F HN 0.255 nan 8.300 nan 0.000 0.453 324 V N -0.581 119.307 119.914 -0.043 0.000 2.672 324 V HA 0.258 4.378 4.120 0.000 0.000 0.242 324 V C -0.172 175.969 176.094 0.079 0.000 1.059 324 V CA 1.084 63.304 62.300 -0.132 0.000 1.081 324 V CB -0.241 31.217 31.823 -0.607 0.000 0.752 324 V HN 0.813 nan 8.190 nan 0.000 0.472 325 D N -0.806 119.699 120.400 0.176 0.000 2.639 325 D HA 0.411 5.052 4.640 0.000 0.000 0.271 325 D C -1.413 174.698 176.300 -0.316 0.000 1.254 325 D CA -0.236 53.808 54.000 0.074 0.000 0.810 325 D CB 2.622 43.444 40.800 0.037 0.000 1.351 325 D HN 0.411 nan 8.370 nan 0.000 0.427 326 N N -1.910 116.404 118.700 -0.643 0.000 3.204 326 N HA 0.117 4.857 4.740 0.000 0.000 0.285 326 N C 0.843 175.874 175.510 -0.799 0.000 1.536 326 N CA -0.492 51.900 53.050 -1.097 0.000 0.832 326 N CB 0.164 38.322 38.487 -0.549 0.000 1.645 326 N HN 0.360 nan 8.380 nan 0.000 0.586 327 H N -1.600 117.191 119.070 -0.465 0.000 2.518 327 H HA 0.015 4.571 4.556 0.000 0.000 0.292 327 H C -0.468 174.832 175.328 -0.047 0.000 1.068 327 H CA 1.373 57.450 56.048 0.048 0.000 1.275 327 H CB -0.246 29.687 29.762 0.286 0.000 1.375 327 H HN 0.559 nan 8.280 nan 0.000 0.563 328 D N 0.655 120.592 120.400 -0.771 0.000 2.355 328 D HA -0.033 4.607 4.640 0.000 0.000 0.206 328 D C 1.872 177.847 176.300 -0.541 0.000 1.010 328 D CA 1.502 55.047 54.000 -0.760 0.000 0.875 328 D CB 0.194 40.383 40.800 -1.017 0.000 0.966 328 D HN 0.630 nan 8.370 nan 0.000 0.512 329 T N -1.411 112.902 114.554 -0.402 0.000 3.037 329 T HA -0.007 4.343 4.350 0.000 0.000 0.251 329 T C 1.107 175.858 174.700 0.086 0.000 1.079 329 T CA -0.319 61.686 62.100 -0.159 0.000 1.067 329 T CB -0.027 68.771 68.868 -0.117 0.000 0.948 329 T HN 0.156 nan 8.240 nan 0.000 0.496 330 Q N 1.719 121.554 119.800 0.057 0.000 2.474 330 Q HA 0.254 4.594 4.340 0.000 0.000 0.256 330 Q C -2.680 173.203 176.000 -0.196 0.000 1.048 330 Q CA -1.926 53.841 55.803 -0.061 0.000 0.922 330 Q CB -0.639 28.080 28.738 -0.031 0.000 1.288 330 Q HN 0.088 nan 8.270 nan 0.000 0.484 331 P HA -0.086 nan 4.420 nan 0.000 0.261 331 P C 0.540 177.757 177.300 -0.139 0.000 1.173 331 P CA 1.849 64.814 63.100 -0.227 0.000 0.760 331 P CB 0.212 31.724 31.700 -0.313 0.000 0.783 332 G N 1.282 110.016 108.800 -0.111 0.000 2.234 332 G HA2 -0.216 3.744 3.960 0.000 0.000 0.260 332 G HA3 -0.216 3.744 3.960 0.000 0.000 0.260 332 G C 0.284 175.056 174.900 -0.212 0.000 0.987 332 G CA -0.098 44.935 45.100 -0.111 0.000 0.625 332 G HN 0.498 nan 8.290 nan 0.000 0.532 333 E N 0.545 120.563 120.200 -0.303 0.000 2.312 333 E HA 0.504 4.855 4.350 0.000 0.000 0.259 333 E C 1.875 178.222 176.600 -0.421 0.000 1.122 333 E CA 0.195 56.289 56.400 -0.511 0.000 0.922 333 E CB 0.805 30.107 29.700 -0.664 0.000 1.109 333 E HN 0.411 nan 8.360 nan 0.000 0.442 334 S N 0.384 115.776 115.700 -0.513 0.000 2.407 334 S HA -0.179 4.292 4.470 0.000 0.000 0.235 334 S C 1.334 175.736 174.600 -0.330 0.000 1.036 334 S CA 1.197 59.164 58.200 -0.387 0.000 1.013 334 S CB -0.176 62.775 63.200 -0.415 0.000 0.820 334 S HN 0.463 nan 8.310 nan 0.000 0.476 335 L N 1.385 122.362 121.223 -0.409 0.000 3.141 335 L HA 0.387 4.727 4.340 0.000 0.000 0.267 335 L C 0.365 177.116 176.870 -0.197 0.000 1.281 335 L CA -0.355 54.282 54.840 -0.337 0.000 1.037 335 L CB -0.008 41.617 42.059 -0.722 0.000 1.407 335 L HN 0.330 nan 8.230 nan 0.000 0.566 336 E N 2.277 122.375 120.200 -0.170 0.000 2.820 336 E HA -0.072 4.278 4.350 0.000 0.000 0.251 336 E C -0.109 176.449 176.600 -0.069 0.000 0.944 336 E CA 0.633 56.979 56.400 -0.089 0.000 0.955 336 E CB 0.421 30.080 29.700 -0.067 0.000 0.904 336 E HN 0.381 nan 8.360 nan 0.000 0.513 337 S N 4.854 120.514 115.700 -0.067 0.000 2.753 337 S HA 0.031 4.501 4.470 0.000 0.000 0.147 337 S C -0.741 173.860 174.600 0.003 0.000 0.980 337 S CA -0.898 56.991 58.200 -0.520 0.000 1.044 337 S CB -0.678 62.182 63.200 -0.567 0.000 1.715 337 S HN 0.618 nan 8.310 nan 0.000 0.515 338 W N 2.555 123.911 121.300 0.093 0.000 2.216 338 W HA 0.443 5.103 4.660 0.000 0.000 0.326 338 W C -0.912 175.798 176.519 0.317 0.000 1.319 338 W CA -0.287 57.190 57.345 0.220 0.000 1.213 338 W CB 1.047 30.618 29.460 0.185 0.000 1.171 338 W HN 0.274 nan 8.180 nan 0.000 0.557 339 V N 7.628 127.359 119.914 -0.305 0.000 2.389 339 V HA 0.175 4.295 4.120 0.000 0.000 0.264 339 V C 1.024 176.844 176.094 -0.457 0.000 1.049 339 V CA -0.630 61.493 62.300 -0.294 0.000 0.932 339 V CB -0.165 31.479 31.823 -0.297 0.000 1.011 339 V HN 0.633 nan 8.190 nan 0.000 0.475 340 A N 3.853 126.615 122.820 -0.097 0.000 2.521 340 A HA 0.052 4.372 4.320 0.000 0.000 0.237 340 A C 1.298 178.897 177.584 0.024 0.000 1.087 340 A CA 0.043 52.145 52.037 0.108 0.000 0.777 340 A CB -0.010 19.211 19.000 0.368 0.000 1.035 340 A HN 0.851 nan 8.150 nan 0.000 0.510 341 D N 0.186 120.695 120.400 0.182 0.000 2.149 341 D HA -0.176 4.464 4.640 0.000 0.000 0.198 341 D C 1.849 178.230 176.300 0.136 0.000 0.990 341 D CA 1.933 56.019 54.000 0.144 0.000 0.839 341 D CB -0.276 40.642 40.800 0.196 0.000 0.948 341 D HN 0.849 nan 8.370 nan 0.000 0.460 342 W N 0.265 121.609 121.300 0.073 0.000 2.358 342 W HA -0.152 4.508 4.660 0.000 0.000 0.303 342 W C 1.695 178.250 176.519 0.060 0.000 1.208 342 W CA 0.299 57.683 57.345 0.066 0.000 1.274 342 W CB -1.371 28.141 29.460 0.087 0.000 1.138 342 W HN -0.037 nan 8.180 nan 0.000 0.515 343 F N 2.383 121.702 119.950 -1.052 0.000 2.473 343 F HA 0.106 4.633 4.527 0.000 0.000 0.294 343 F C 2.704 178.146 175.800 -0.596 0.000 1.103 343 F CA 1.635 58.964 58.000 -1.119 0.000 1.442 343 F CB -0.438 37.672 39.000 -1.483 0.000 1.097 343 F HN -0.222 nan 8.300 nan 0.000 0.547 344 K N 0.751 120.943 120.400 -0.347 0.000 2.127 344 K HA -0.187 4.133 4.320 0.000 0.000 0.208 344 K C -0.974 175.489 176.600 -0.229 0.000 1.047 344 K CA 2.044 58.169 56.287 -0.269 0.000 0.927 344 K CB -1.134 31.289 32.500 -0.128 0.000 0.716 344 K HN 0.159 nan 8.250 nan 0.000 0.450 345 P HA -0.132 nan 4.420 nan 0.000 0.217 345 P C 0.905 178.047 177.300 -0.262 0.000 1.150 345 P CA 0.978 63.985 63.100 -0.155 0.000 0.832 345 P CB 0.096 31.715 31.700 -0.134 0.000 0.787 346 L N -0.482 120.426 121.223 -0.525 0.000 2.056 346 L HA -0.116 4.224 4.340 0.000 0.000 0.207 346 L C 2.511 179.027 176.870 -0.590 0.000 1.078 346 L CA 2.057 56.534 54.840 -0.605 0.000 0.749 346 L CB -1.969 39.470 42.059 -1.033 0.000 0.901 346 L HN -0.099 nan 8.230 nan 0.000 0.433 347 A N -1.516 120.763 122.820 -0.902 0.000 1.908 347 A HA -0.259 4.061 4.320 0.000 0.000 0.218 347 A C 2.253 179.428 177.584 -0.681 0.000 1.181 347 A CA 1.683 53.002 52.037 -1.196 0.000 0.627 347 A CB -0.985 17.062 19.000 -1.588 0.000 0.818 347 A HN 0.403 nan 8.150 nan 0.000 0.445 348 Y N -0.173 119.913 120.300 -0.356 0.000 2.242 348 Y HA -0.060 4.490 4.550 0.000 0.000 0.291 348 Y C 2.890 178.765 175.900 -0.041 0.000 1.137 348 Y CA 0.821 58.839 58.100 -0.137 0.000 1.181 348 Y CB -0.485 37.916 38.460 -0.097 0.000 0.989 348 Y HN 0.338 nan 8.280 nan 0.000 0.527 349 A N -0.744 122.133 122.820 0.094 0.000 1.902 349 A HA -0.190 4.131 4.320 0.000 0.000 0.217 349 A C 2.279 180.050 177.584 0.312 0.000 1.181 349 A CA 2.196 54.327 52.037 0.157 0.000 0.623 349 A CB -1.195 17.847 19.000 0.069 0.000 0.818 349 A HN 0.411 nan 8.150 nan 0.000 0.443 350 T N 0.787 115.509 114.554 0.280 0.000 2.720 350 T HA -0.171 4.180 4.350 0.000 0.000 0.268 350 T C 1.786 176.573 174.700 0.144 0.000 1.037 350 T CA 1.793 64.072 62.100 0.298 0.000 1.144 350 T CB -0.548 68.495 68.868 0.290 0.000 0.864 350 T HN 0.754 nan 8.240 nan 0.000 0.444 351 I N -1.758 118.904 120.570 0.152 0.000 3.228 351 I HA 0.227 4.397 4.170 0.000 0.000 0.279 351 I C 1.781 177.985 176.117 0.145 0.000 1.221 351 I CA 0.849 62.236 61.300 0.144 0.000 1.458 351 I CB -0.261 37.842 38.000 0.170 0.000 1.105 351 I HN 0.127 nan 8.210 nan 0.000 0.445 352 L N 1.247 122.572 121.223 0.171 0.000 2.354 352 L HA 0.066 4.406 4.340 0.000 0.000 0.212 352 L C 2.474 179.415 176.870 0.118 0.000 1.091 352 L CA 1.261 56.193 54.840 0.153 0.000 0.828 352 L CB -0.212 41.951 42.059 0.173 0.000 0.973 352 L HN 0.414 nan 8.230 nan 0.000 0.461 353 T N -3.636 111.023 114.554 0.174 0.000 3.014 353 T HA 0.155 4.505 4.350 0.000 0.000 0.250 353 T C 1.074 175.877 174.700 0.171 0.000 1.060 353 T CA -0.340 61.883 62.100 0.204 0.000 1.040 353 T CB 0.167 69.232 68.868 0.329 0.000 0.971 353 T HN 0.052 nan 8.240 nan 0.000 0.497 354 R N 1.701 122.214 120.500 0.022 0.000 2.560 354 R HA 0.302 4.642 4.340 0.000 0.000 0.270 354 R C 1.750 177.989 176.300 -0.102 0.000 1.074 354 R CA 0.038 56.021 56.100 -0.194 0.000 1.140 354 R CB 0.702 30.738 30.300 -0.440 0.000 1.073 354 R HN 0.565 nan 8.270 nan 0.000 0.527 355 E N 0.748 120.883 120.200 -0.108 0.000 2.158 355 E HA -0.034 4.317 4.350 0.000 0.000 0.191 355 E C 0.540 177.103 176.600 -0.062 0.000 0.982 355 E CA 0.530 56.883 56.400 -0.079 0.000 0.823 355 E CB 0.108 29.768 29.700 -0.067 0.000 0.766 355 E HN 0.613 nan 8.360 nan 0.000 0.468 356 G N 0.252 109.013 108.800 -0.066 0.000 2.395 356 G HA2 0.483 4.443 3.960 0.000 0.000 0.283 356 G HA3 0.483 4.443 3.960 0.000 0.000 0.283 356 G C 0.112 175.015 174.900 0.005 0.000 1.178 356 G CA 0.029 45.108 45.100 -0.034 0.000 0.837 356 G HN 0.542 nan 8.290 nan 0.000 0.518 357 G N -0.374 108.453 108.800 0.046 0.000 2.675 357 G HA2 0.134 4.095 3.960 0.000 0.000 0.686 357 G HA3 0.134 4.095 3.960 0.000 0.000 0.686 357 G C -1.058 173.952 174.900 0.184 0.000 1.215 357 G CA -0.595 44.575 45.100 0.116 0.000 0.777 357 G HN 1.285 nan 8.290 nan 0.000 0.638 358 Y N 3.702 124.044 120.300 0.070 0.000 2.721 358 Y HA 0.549 5.099 4.550 0.000 0.000 0.328 358 Y C -1.920 174.059 175.900 0.131 0.000 1.003 358 Y CA -3.086 55.045 58.100 0.052 0.000 1.275 358 Y CB 1.137 39.598 38.460 0.002 0.000 1.097 358 Y HN 0.520 nan 8.280 nan 0.000 0.514 359 P HA 0.056 nan 4.420 nan 0.000 0.268 359 P C -0.803 176.614 177.300 0.194 0.000 1.204 359 P CA 0.091 63.339 63.100 0.247 0.000 0.768 359 P CB 1.214 33.052 31.700 0.230 0.000 0.842 360 N N 2.492 121.362 118.700 0.283 0.000 2.354 360 N HA 0.289 5.030 4.740 0.000 0.000 0.287 360 N C -1.343 174.412 175.510 0.407 0.000 1.016 360 N CA -0.762 52.480 53.050 0.321 0.000 0.871 360 N CB 1.254 40.011 38.487 0.451 0.000 1.299 360 N HN -0.020 nan 8.380 nan 0.000 0.482 361 V N 3.764 123.884 119.914 0.342 0.000 2.465 361 V HA 0.349 4.469 4.120 0.000 0.000 0.279 361 V C -0.287 176.038 176.094 0.385 0.000 1.045 361 V CA -0.638 61.885 62.300 0.372 0.000 0.938 361 V CB 0.414 32.291 31.823 0.089 0.000 0.986 361 V HN 0.594 nan 8.190 nan 0.000 0.467 362 F N 5.095 125.223 119.950 0.296 0.000 2.411 362 F HA 0.309 4.836 4.527 0.000 0.000 0.355 362 F C 0.750 176.654 175.800 0.174 0.000 1.117 362 F CA -1.422 56.702 58.000 0.207 0.000 1.139 362 F CB 0.606 39.777 39.000 0.284 0.000 1.120 362 F HN 0.612 nan 8.300 nan 0.000 0.493 363 Y N 5.189 125.294 120.300 -0.325 0.000 2.139 363 Y HA -0.180 4.370 4.550 0.000 0.000 0.282 363 Y C 2.154 177.704 175.900 -0.582 0.000 1.179 363 Y CA 2.329 60.182 58.100 -0.412 0.000 1.161 363 Y CB -0.534 37.700 38.460 -0.376 0.000 0.970 363 Y HN 0.700 nan 8.280 nan 0.000 0.511 364 G N -0.482 107.607 108.800 -1.186 0.000 2.450 364 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 364 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 364 G C 1.335 176.105 174.900 -0.217 0.000 1.130 364 G CA 1.243 45.893 45.100 -0.750 0.000 0.760 364 G HN 0.420 nan 8.290 nan 0.000 0.557 365 D N -0.830 119.494 120.400 -0.126 0.000 2.120 365 D HA -0.044 4.597 4.640 0.000 0.000 0.202 365 D C 1.963 178.224 176.300 -0.066 0.000 0.972 365 D CA 0.450 54.522 54.000 0.120 0.000 0.837 365 D CB -0.315 40.659 40.800 0.290 0.000 0.989 365 D HN 0.294 nan 8.370 nan 0.000 0.469 366 Y N 0.427 120.524 120.300 -0.340 0.000 2.070 366 Y HA -0.283 4.268 4.550 0.000 0.000 0.280 366 Y C 1.614 177.160 175.900 -0.590 0.000 1.148 366 Y CA 1.709 59.484 58.100 -0.543 0.000 1.125 366 Y CB -0.283 37.733 38.460 -0.741 0.000 0.975 366 Y HN -0.020 nan 8.280 nan 0.000 0.492 367 Y N -0.130 119.969 120.300 -0.335 0.000 2.458 367 Y HA 0.395 4.945 4.550 0.000 0.000 0.256 367 Y C 1.120 176.884 175.900 -0.226 0.000 1.159 367 Y CA 0.033 57.908 58.100 -0.375 0.000 1.261 367 Y CB 0.127 38.225 38.460 -0.603 0.000 1.119 367 Y HN 0.207 nan 8.280 nan 0.000 0.524 368 G N 0.910 109.685 108.800 -0.042 0.000 2.781 368 G HA2 -0.206 3.754 3.960 0.000 0.000 0.683 368 G HA3 -0.206 3.754 3.960 0.000 0.000 0.683 368 G C -0.843 174.089 174.900 0.055 0.000 1.390 368 G CA -0.648 44.469 45.100 0.029 0.000 0.850 368 G HN 0.127 nan 8.290 nan 0.000 0.557 369 I N 2.075 122.686 120.570 0.069 0.000 2.595 369 I HA 0.223 4.393 4.170 0.000 0.000 0.275 369 I C -1.572 174.565 176.117 0.033 0.000 1.092 369 I CA -1.993 59.347 61.300 0.065 0.000 1.145 369 I CB 2.154 40.180 38.000 0.043 0.000 1.276 369 I HN 0.277 nan 8.210 nan 0.000 0.497 370 P HA -0.199 nan 4.420 nan 0.000 0.216 370 P C 1.385 178.667 177.300 -0.030 0.000 1.154 370 P CA 1.414 64.518 63.100 0.006 0.000 0.865 370 P CB 0.170 31.877 31.700 0.012 0.000 0.789 371 N N -0.644 118.025 118.700 -0.050 0.000 2.184 371 N HA -0.160 4.580 4.740 0.000 0.000 0.190 371 N C 0.639 176.050 175.510 -0.165 0.000 1.011 371 N CA 1.437 54.392 53.050 -0.159 0.000 0.867 371 N CB -0.378 37.889 38.487 -0.367 0.000 0.993 371 N HN 0.087 nan 8.380 nan 0.000 0.433 372 D N -0.808 119.522 120.400 -0.117 0.000 2.538 372 D HA 0.127 4.767 4.640 0.000 0.000 0.231 372 D C -0.663 175.606 176.300 -0.052 0.000 1.229 372 D CA -0.135 53.801 54.000 -0.105 0.000 0.828 372 D CB -0.319 40.392 40.800 -0.148 0.000 1.035 372 D HN 0.332 nan 8.370 nan 0.000 0.495 373 N N 0.935 119.618 118.700 -0.029 0.000 2.727 373 N HA -0.186 4.554 4.740 0.000 0.000 0.249 373 N C -0.591 174.938 175.510 0.031 0.000 1.048 373 N CA 0.271 53.322 53.050 0.001 0.000 0.714 373 N CB -0.935 37.553 38.487 0.002 0.000 0.959 373 N HN 0.391 nan 8.380 nan 0.000 0.544 374 I N 1.068 121.662 120.570 0.041 0.000 2.330 374 I HA 0.140 4.311 4.170 0.000 0.000 0.289 374 I C 0.806 176.979 176.117 0.095 0.000 1.001 374 I CA -0.638 60.724 61.300 0.104 0.000 1.193 374 I CB 1.166 39.245 38.000 0.132 0.000 1.345 374 I HN 0.172 nan 8.210 nan 0.000 0.461 375 S N 5.244 120.998 115.700 0.090 0.000 2.579 375 S HA 0.473 4.943 4.470 0.000 0.000 0.275 375 S C 0.312 174.934 174.600 0.036 0.000 1.345 375 S CA -0.940 57.290 58.200 0.051 0.000 1.031 375 S CB 1.251 64.474 63.200 0.039 0.000 0.892 375 S HN 0.674 nan 8.310 nan 0.000 0.529 376 A N 2.068 124.881 122.820 -0.011 0.000 2.450 376 A HA 0.400 4.720 4.320 0.000 0.000 0.255 376 A C 0.794 178.308 177.584 -0.118 0.000 1.096 376 A CA -0.622 51.370 52.037 -0.075 0.000 0.778 376 A CB 0.110 19.057 19.000 -0.088 0.000 1.031 376 A HN 0.747 nan 8.150 nan 0.000 0.494 377 K N 2.355 122.653 120.400 -0.170 0.000 2.498 377 K HA 0.081 4.402 4.320 0.000 0.000 0.207 377 K C 1.254 177.662 176.600 -0.321 0.000 1.033 377 K CA -0.032 56.145 56.287 -0.182 0.000 1.138 377 K CB 0.263 32.686 32.500 -0.129 0.000 0.860 377 K HN 0.856 nan 8.250 nan 0.000 0.490 378 K N 1.578 121.680 120.400 -0.498 0.000 2.089 378 K HA -0.230 4.090 4.320 0.000 0.000 0.210 378 K C 0.733 177.072 176.600 -0.435 0.000 1.048 378 K CA 1.984 57.795 56.287 -0.794 0.000 0.926 378 K CB 0.198 32.177 32.500 -0.868 0.000 0.714 378 K HN 0.012 nan 8.250 nan 0.000 0.448 379 D N 0.455 120.692 120.400 -0.272 0.000 2.084 379 D HA -0.219 4.421 4.640 0.000 0.000 0.194 379 D C 1.859 178.071 176.300 -0.146 0.000 0.990 379 D CA 1.194 55.092 54.000 -0.171 0.000 0.826 379 D CB -0.257 40.470 40.800 -0.123 0.000 0.971 379 D HN 0.264 nan 8.370 nan 0.000 0.453 380 M N 0.646 120.155 119.600 -0.151 0.000 2.065 380 M HA -0.145 4.335 4.480 0.000 0.000 0.259 380 M C 2.167 178.382 176.300 -0.143 0.000 1.069 380 M CA 1.322 56.543 55.300 -0.131 0.000 1.110 380 M CB -0.527 31.998 32.600 -0.124 0.000 1.328 380 M HN -0.020 nan 8.290 nan 0.000 0.405 381 I N 0.361 120.813 120.570 -0.198 0.000 2.286 381 I HA -0.301 3.870 4.170 0.000 0.000 0.248 381 I C 1.805 177.890 176.117 -0.054 0.000 1.115 381 I CA 1.187 62.377 61.300 -0.182 0.000 1.392 381 I CB -0.743 37.121 38.000 -0.226 0.000 1.065 381 I HN 0.242 nan 8.210 nan 0.000 0.418 382 D N 0.903 121.279 120.400 -0.041 0.000 2.218 382 D HA -0.172 4.468 4.640 0.000 0.000 0.204 382 D C 2.052 178.352 176.300 -0.001 0.000 0.976 382 D CA 1.165 55.173 54.000 0.014 0.000 0.853 382 D CB -0.094 40.699 40.800 -0.012 0.000 0.939 382 D HN 0.465 nan 8.370 nan 0.000 0.481 383 E N -0.250 119.930 120.200 -0.032 0.000 2.158 383 E HA 0.007 4.358 4.350 0.000 0.000 0.191 383 E C 2.158 178.750 176.600 -0.014 0.000 0.982 383 E CA 0.211 56.593 56.400 -0.029 0.000 0.823 383 E CB 0.146 29.809 29.700 -0.061 0.000 0.766 383 E HN 0.264 nan 8.360 nan 0.000 0.468 384 L N 0.485 121.699 121.223 -0.016 0.000 2.240 384 L HA -0.055 4.285 4.340 0.000 0.000 0.211 384 L C 2.198 179.094 176.870 0.044 0.000 1.106 384 L CA 0.496 55.344 54.840 0.013 0.000 0.793 384 L CB -0.088 41.983 42.059 0.019 0.000 0.927 384 L HN 0.166 nan 8.230 nan 0.000 0.446 385 L N -0.361 120.885 121.223 0.039 0.000 2.156 385 L HA -0.175 4.165 4.340 0.000 0.000 0.208 385 L C 2.169 179.074 176.870 0.058 0.000 1.095 385 L CA 0.944 55.815 54.840 0.050 0.000 0.770 385 L CB -0.378 41.709 42.059 0.046 0.000 0.914 385 L HN 0.266 nan 8.230 nan 0.000 0.439 386 D N 0.287 120.725 120.400 0.063 0.000 2.144 386 D HA -0.165 4.475 4.640 0.000 0.000 0.200 386 D C 2.137 178.535 176.300 0.164 0.000 0.978 386 D CA 1.372 55.426 54.000 0.090 0.000 0.833 386 D CB 0.231 41.086 40.800 0.091 0.000 0.961 386 D HN 0.215 nan 8.370 nan 0.000 0.470 387 A N 0.534 123.453 122.820 0.164 0.000 1.858 387 A HA -0.166 4.154 4.320 0.000 0.000 0.216 387 A C 2.343 180.022 177.584 0.159 0.000 1.190 387 A CA 1.815 53.988 52.037 0.228 0.000 0.617 387 A CB -0.738 18.309 19.000 0.077 0.000 0.827 387 A HN 0.278 nan 8.150 nan 0.000 0.443 388 R N -0.561 119.982 120.500 0.071 0.000 2.073 388 R HA -0.190 4.150 4.340 0.000 0.000 0.234 388 R C 2.459 178.737 176.300 -0.036 0.000 1.134 388 R CA 1.833 57.928 56.100 -0.010 0.000 0.952 388 R CB -0.372 29.938 30.300 0.017 0.000 0.850 388 R HN 0.711 nan 8.270 nan 0.000 0.433 389 Q N -0.348 119.477 119.800 0.042 0.000 2.124 389 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 389 Q C 0.749 176.839 176.000 0.151 0.000 0.977 389 Q CA 1.693 57.545 55.803 0.082 0.000 0.850 389 Q CB 0.178 28.944 28.738 0.047 0.000 0.901 389 Q HN 0.449 nan 8.270 nan 0.000 0.429 390 N N -1.749 116.967 118.700 0.027 0.000 2.257 390 N HA 0.036 4.776 4.740 0.000 0.000 0.200 390 N C 0.258 175.557 175.510 -0.352 0.000 1.163 390 N CA 0.344 53.264 53.050 -0.216 0.000 0.891 390 N CB 0.548 38.689 38.487 -0.577 0.000 1.067 390 N HN 0.273 nan 8.380 nan 0.000 0.497 391 Y N 0.410 120.805 120.300 0.158 0.000 2.452 391 Y HA 0.433 4.983 4.550 0.000 0.000 0.262 391 Y C 1.128 177.058 175.900 0.049 0.000 1.089 391 Y CA -0.558 57.593 58.100 0.085 0.000 1.262 391 Y CB 0.229 38.643 38.460 -0.077 0.000 1.236 391 Y HN -0.122 nan 8.280 nan 0.000 0.512 392 A N 0.818 123.630 122.820 -0.014 0.000 3.048 392 A HA 0.386 4.706 4.320 0.000 0.000 0.264 392 A C -1.182 176.086 177.584 -0.526 0.000 1.796 392 A CA 0.305 52.228 52.037 -0.189 0.000 1.445 392 A CB -1.715 17.177 19.000 -0.180 0.000 1.074 392 A HN 0.355 nan 8.150 nan 0.000 0.621 393 Y N -0.305 120.023 120.300 0.047 0.000 2.634 393 Y HA 0.645 5.195 4.550 0.000 0.000 0.340 393 Y C 0.898 176.821 175.900 0.039 0.000 1.058 393 Y CA -0.198 57.917 58.100 0.026 0.000 1.081 393 Y CB 1.397 39.859 38.460 0.003 0.000 1.295 393 Y HN 0.987 nan 8.280 nan 0.000 0.487 394 G N 0.147 109.066 108.800 0.198 0.000 2.828 394 G HA2 -0.177 3.783 3.960 0.000 0.000 0.463 394 G HA3 -0.177 3.783 3.960 0.000 0.000 0.463 394 G C -0.613 174.326 174.900 0.065 0.000 1.394 394 G CA -0.655 44.518 45.100 0.122 0.000 0.862 394 G HN 0.671 nan 8.290 nan 0.000 0.540 395 T N 0.891 115.473 114.554 0.045 0.000 2.933 395 T HA 0.339 4.689 4.350 0.000 0.000 0.306 395 T C 0.667 175.301 174.700 -0.110 0.000 1.045 395 T CA 1.283 63.361 62.100 -0.037 0.000 1.143 395 T CB 0.950 69.811 68.868 -0.011 0.000 1.003 395 T HN 0.752 nan 8.240 nan 0.000 0.540 396 Q N 1.865 121.536 119.800 -0.215 0.000 2.309 396 Q HA 0.280 4.621 4.340 0.000 0.000 0.264 396 Q C -1.231 174.531 176.000 -0.397 0.000 1.008 396 Q CA -0.827 54.870 55.803 -0.176 0.000 0.853 396 Q CB 0.883 29.584 28.738 -0.061 0.000 1.314 396 Q HN 0.714 nan 8.270 nan 0.000 0.448 397 H N 2.740 121.884 119.070 0.123 0.000 2.658 397 H HA 0.314 4.870 4.556 0.000 0.000 0.337 397 H C -1.271 174.076 175.328 0.032 0.000 1.009 397 H CA -0.725 55.352 56.048 0.049 0.000 1.231 397 H CB 1.709 31.539 29.762 0.114 0.000 1.508 397 H HN 0.648 nan 8.280 nan 0.000 0.517 398 D N 1.886 122.270 120.400 -0.027 0.000 2.193 398 D HA 0.212 4.852 4.640 0.000 0.000 0.249 398 D C -0.311 175.792 176.300 -0.327 0.000 1.034 398 D CA -0.108 53.912 54.000 0.033 0.000 0.902 398 D CB 1.259 42.214 40.800 0.259 0.000 1.182 398 D HN 0.476 nan 8.370 nan 0.000 0.436 399 Y N 0.891 121.203 120.300 0.020 0.000 2.512 399 Y HA 0.261 4.811 4.550 0.000 0.000 0.326 399 Y C -0.489 175.351 175.900 -0.101 0.000 1.008 399 Y CA -0.604 57.500 58.100 0.007 0.000 1.139 399 Y CB 0.042 38.498 38.460 -0.005 0.000 1.137 399 Y HN 0.230 nan 8.280 nan 0.000 0.630 400 F N 1.346 121.447 119.950 0.252 0.000 2.606 400 F HA 0.211 4.738 4.527 0.000 0.000 0.347 400 F C 0.388 176.293 175.800 0.174 0.000 1.207 400 F CA -0.722 57.412 58.000 0.223 0.000 1.306 400 F CB -0.055 39.058 39.000 0.188 0.000 1.657 400 F HN 0.335 nan 8.300 nan 0.000 0.606 401 D N -2.468 118.091 120.400 0.265 0.000 2.433 401 D HA 0.021 4.662 4.640 0.000 0.000 0.211 401 D C 0.375 176.760 176.300 0.142 0.000 1.114 401 D CA 0.182 54.304 54.000 0.204 0.000 0.837 401 D CB 0.048 40.971 40.800 0.204 0.000 0.984 401 D HN 0.296 nan 8.370 nan 0.000 0.505 402 H N -0.124 118.942 119.070 -0.007 0.000 2.851 402 H HA 0.211 4.767 4.556 0.000 0.000 0.372 402 H C -0.226 175.038 175.328 -0.107 0.000 1.158 402 H CA -0.889 55.009 56.048 -0.249 0.000 1.159 402 H CB 1.233 30.752 29.762 -0.406 0.000 1.757 402 H HN 0.085 nan 8.280 nan 0.000 0.546 403 W N 3.313 124.402 121.300 -0.352 0.000 2.465 403 W HA 0.041 4.701 4.660 0.000 0.000 0.268 403 W C 0.104 176.706 176.519 0.138 0.000 1.242 403 W CA 0.836 58.121 57.345 -0.101 0.000 1.248 403 W CB 0.028 29.377 29.460 -0.185 0.000 1.118 403 W HN 0.403 nan 8.180 nan 0.000 0.587 404 D N 0.187 120.749 120.400 0.269 0.000 2.995 404 D HA 0.051 4.691 4.640 0.000 0.000 0.289 404 D C 0.242 176.710 176.300 0.281 0.000 1.116 404 D CA 0.536 54.778 54.000 0.403 0.000 0.994 404 D CB -0.168 40.883 40.800 0.419 0.000 1.209 404 D HN -0.109 nan 8.370 nan 0.000 0.458 405 V N 2.942 122.969 119.914 0.188 0.000 2.432 405 V HA 0.449 4.570 4.120 0.000 0.000 0.275 405 V C 0.382 176.491 176.094 0.026 0.000 1.043 405 V CA -0.503 61.796 62.300 -0.002 0.000 0.925 405 V CB 1.271 32.962 31.823 -0.219 0.000 0.985 405 V HN 0.079 nan 8.190 nan 0.000 0.466 406 V N 2.134 122.048 119.914 -0.001 0.000 3.159 406 V HA 1.151 5.271 4.120 0.000 0.000 0.308 406 V C -0.120 175.839 176.094 -0.224 0.000 1.190 406 V CA 0.032 62.304 62.300 -0.047 0.000 1.037 406 V CB 1.805 33.673 31.823 0.075 0.000 1.060 406 V HN 1.144 nan 8.190 nan 0.000 0.437 407 G N 0.278 108.894 108.800 -0.307 0.000 2.489 407 G HA2 0.760 4.721 3.960 0.000 0.000 0.305 407 G HA3 0.760 4.721 3.960 0.000 0.000 0.305 407 G C -1.985 172.815 174.900 -0.166 0.000 1.311 407 G CA 0.010 44.797 45.100 -0.522 0.000 0.813 407 G HN 2.222 nan 8.290 nan 0.000 0.480 408 W N -1.381 119.883 121.300 -0.060 0.000 3.057 408 W HA 0.721 5.381 4.660 0.001 0.000 0.328 408 W C -0.433 176.108 176.519 0.036 0.000 1.232 408 W CA -0.611 56.774 57.345 0.068 0.000 1.187 408 W CB 0.658 30.122 29.460 0.007 0.000 1.417 408 W HN 1.047 nan 8.180 nan 0.000 0.569 409 T N -0.620 114.144 114.554 0.350 0.000 2.901 409 T HA 0.820 5.170 4.350 0.000 0.000 0.293 409 T C -1.015 173.849 174.700 0.274 0.000 1.084 409 T CA -1.180 61.050 62.100 0.216 0.000 1.008 409 T CB 2.236 71.196 68.868 0.154 0.000 1.170 409 T HN 0.656 nan 8.240 nan 0.000 0.509 410 R N 1.243 121.876 120.500 0.222 0.000 2.483 410 R HA 0.338 4.678 4.340 0.000 0.000 0.303 410 R C 0.461 176.883 176.300 0.205 0.000 0.987 410 R CA -0.515 55.692 56.100 0.179 0.000 0.881 410 R CB 1.537 31.920 30.300 0.138 0.000 1.177 410 R HN 0.899 nan 8.270 nan 0.000 0.451 411 E N 1.275 121.587 120.200 0.186 0.000 2.333 411 E HA -0.023 4.327 4.350 0.000 0.000 0.198 411 E C 0.685 177.396 176.600 0.185 0.000 1.007 411 E CA 0.924 57.428 56.400 0.174 0.000 0.845 411 E CB 0.154 29.940 29.700 0.143 0.000 0.766 411 E HN 0.917 nan 8.360 nan 0.000 0.507 412 G N 0.713 109.619 108.800 0.177 0.000 2.712 412 G HA2 -0.160 3.800 3.960 0.000 0.000 0.683 412 G HA3 -0.160 3.800 3.960 0.000 0.000 0.683 412 G C -0.490 174.494 174.900 0.141 0.000 1.320 412 G CA -0.376 44.831 45.100 0.177 0.000 0.847 412 G HN 0.382 nan 8.290 nan 0.000 0.553 413 S N -1.749 114.013 115.700 0.104 0.000 2.548 413 S HA 0.745 5.215 4.470 0.000 0.000 0.276 413 S C 1.278 175.884 174.600 0.009 0.000 1.129 413 S CA 0.743 58.977 58.200 0.057 0.000 0.931 413 S CB 1.618 64.849 63.200 0.052 0.000 1.068 413 S HN 2.455 nan 8.310 nan 0.000 0.480 414 S N 2.440 118.148 115.700 0.013 0.000 2.420 414 S HA -0.181 4.290 4.470 0.000 0.000 0.237 414 S C 1.780 176.359 174.600 -0.036 0.000 1.023 414 S CA 1.536 59.735 58.200 -0.001 0.000 0.991 414 S CB -1.271 61.934 63.200 0.009 0.000 0.792 414 S HN 1.190 nan 8.310 nan 0.000 0.488 415 S N 1.084 116.751 115.700 -0.055 0.000 2.442 415 S HA 0.005 4.475 4.470 0.000 0.000 0.236 415 S C 0.995 175.504 174.600 -0.151 0.000 1.007 415 S CA 0.546 58.691 58.200 -0.091 0.000 0.965 415 S CB -0.384 62.760 63.200 -0.093 0.000 0.773 415 S HN 0.647 nan 8.310 nan 0.000 0.504 416 R N 1.532 121.926 120.500 -0.177 0.000 2.545 416 R HA 0.361 4.701 4.340 0.000 0.000 0.289 416 R C -3.301 172.910 176.300 -0.148 0.000 1.327 416 R CA -2.181 53.774 56.100 -0.242 0.000 1.040 416 R CB 1.123 31.120 30.300 -0.505 0.000 1.176 416 R HN 0.052 nan 8.270 nan 0.000 0.518 417 P HA -0.060 nan 4.420 nan 0.000 0.266 417 P C -0.428 176.850 177.300 -0.037 0.000 1.180 417 P CA 0.618 63.689 63.100 -0.049 0.000 0.765 417 P CB 0.413 32.085 31.700 -0.046 0.000 0.806 418 N N -1.810 116.908 118.700 0.030 0.000 2.717 418 N HA -0.207 4.533 4.740 0.000 0.000 0.248 418 N C -0.200 175.391 175.510 0.134 0.000 1.099 418 N CA 1.511 54.615 53.050 0.090 0.000 0.843 418 N CB -1.582 36.968 38.487 0.106 0.000 1.155 418 N HN 0.547 nan 8.380 nan 0.000 0.580 419 S N -0.864 114.882 115.700 0.077 0.000 2.589 419 S HA 0.629 5.099 4.470 0.000 0.000 0.265 419 S C 0.810 175.513 174.600 0.171 0.000 1.342 419 S CA 0.105 58.395 58.200 0.150 0.000 1.005 419 S CB 1.818 65.104 63.200 0.142 0.000 0.909 419 S HN 1.076 nan 8.310 nan 0.000 0.555 420 G N -0.191 108.704 108.800 0.159 0.000 2.535 420 G HA2 0.465 4.425 3.960 0.000 0.000 0.662 420 G HA3 0.465 4.425 3.960 0.000 0.000 0.662 420 G C -1.434 173.312 174.900 -0.257 0.000 1.417 420 G CA -0.508 44.635 45.100 0.071 0.000 0.866 420 G HN 1.893 nan 8.290 nan 0.000 0.647 421 L N -1.654 119.481 121.223 -0.147 0.000 2.940 421 L HA 1.058 5.399 4.340 0.000 0.000 0.270 421 L C -0.313 176.580 176.870 0.038 0.000 1.030 421 L CA -0.742 53.932 54.840 -0.277 0.000 0.928 421 L CB 1.316 43.276 42.059 -0.164 0.000 1.506 421 L HN 2.424 nan 8.230 nan 0.000 0.405 422 A N 0.148 122.920 122.820 -0.080 0.000 2.446 422 A HA 0.794 5.114 4.320 0.000 0.000 0.282 422 A C -0.626 176.703 177.584 -0.424 0.000 1.102 422 A CA -0.331 51.468 52.037 -0.396 0.000 0.737 422 A CB 1.143 19.389 19.000 -1.257 0.000 1.212 422 A HN 0.712 nan 8.150 nan 0.000 0.434 423 T N 3.076 117.289 114.554 -0.568 0.000 2.767 423 T HA 0.619 4.969 4.350 0.000 0.000 0.284 423 T C -0.345 173.889 174.700 -0.777 0.000 0.973 423 T CA 0.017 61.707 62.100 -0.683 0.000 0.996 423 T CB 0.604 68.876 68.868 -0.992 0.000 0.927 423 T HN 0.636 nan 8.240 nan 0.000 0.456 424 I N 4.852 125.145 120.570 -0.461 0.000 2.686 424 I HA 0.726 4.896 4.170 0.000 0.000 0.295 424 I C -1.301 174.675 176.117 -0.235 0.000 1.114 424 I CA -1.316 59.774 61.300 -0.350 0.000 1.038 424 I CB 1.603 39.498 38.000 -0.175 0.000 1.238 424 I HN 0.816 nan 8.210 nan 0.000 0.420 425 M N 4.442 123.925 119.600 -0.194 0.000 2.773 425 M HA 0.639 5.119 4.480 0.000 0.000 0.270 425 M C -1.589 174.699 176.300 -0.020 0.000 1.238 425 M CA -0.689 54.548 55.300 -0.104 0.000 0.832 425 M CB 2.032 34.550 32.600 -0.137 0.000 1.672 425 M HN 0.394 nan 8.290 nan 0.000 0.480 426 S N 0.252 115.978 115.700 0.043 0.000 2.533 426 S HA 0.467 4.937 4.470 0.000 0.000 0.271 426 S C -1.010 173.723 174.600 0.222 0.000 1.143 426 S CA -0.548 57.731 58.200 0.131 0.000 0.891 426 S CB 1.425 64.689 63.200 0.107 0.000 1.105 426 S HN 0.963 nan 8.310 nan 0.000 0.468 427 N N 2.632 121.537 118.700 0.342 0.000 2.235 427 N HA 0.287 5.028 4.740 0.000 0.000 0.209 427 N C 0.479 176.286 175.510 0.495 0.000 1.122 427 N CA 0.185 53.553 53.050 0.531 0.000 0.845 427 N CB 0.712 39.582 38.487 0.639 0.000 1.004 427 N HN 0.637 nan 8.380 nan 0.000 0.499 428 G N -0.094 108.910 108.800 0.340 0.000 3.003 428 G HA2 0.465 4.426 3.960 0.000 0.000 0.243 428 G HA3 0.465 4.426 3.960 0.000 0.000 0.243 428 G C -3.068 171.949 174.900 0.195 0.000 1.176 428 G CA -0.983 44.271 45.100 0.257 0.000 0.812 428 G HN -0.015 nan 8.290 nan 0.000 0.584 429 P HA 0.236 nan 4.420 nan 0.000 0.267 429 P C 0.630 177.996 177.300 0.111 0.000 1.201 429 P CA 0.517 63.695 63.100 0.131 0.000 0.775 429 P CB 0.520 32.303 31.700 0.138 0.000 0.854 430 G N 0.590 109.439 108.800 0.083 0.000 2.653 430 G HA2 0.535 4.495 3.960 0.000 0.000 0.265 430 G HA3 0.535 4.495 3.960 0.000 0.000 0.265 430 G C 0.037 174.949 174.900 0.019 0.000 1.237 430 G CA 0.120 45.257 45.100 0.061 0.000 0.946 430 G HN 0.734 nan 8.290 nan 0.000 0.522 431 G N -1.775 107.019 108.800 -0.011 0.000 2.428 431 G HA2 0.667 4.627 3.960 0.000 0.000 0.305 431 G HA3 0.667 4.627 3.960 0.000 0.000 0.305 431 G C -0.719 174.066 174.900 -0.193 0.000 1.260 431 G CA 0.498 45.538 45.100 -0.101 0.000 0.853 431 G HN 1.657 nan 8.290 nan 0.000 0.480 432 S N -1.132 114.343 115.700 -0.375 0.000 2.685 432 S HA 0.881 5.351 4.470 0.000 0.000 0.282 432 S C -1.148 173.155 174.600 -0.495 0.000 1.159 432 S CA -0.721 57.074 58.200 -0.676 0.000 0.833 432 S CB 2.695 65.057 63.200 -1.396 0.000 1.151 432 S HN 1.020 nan 8.310 nan 0.000 0.485 433 K N 0.045 120.134 120.400 -0.518 0.000 2.580 433 K HA 0.229 4.550 4.320 0.000 0.000 0.258 433 K C -2.201 174.235 176.600 -0.274 0.000 0.936 433 K CA -0.403 55.702 56.287 -0.305 0.000 0.852 433 K CB 1.164 33.522 32.500 -0.237 0.000 1.329 433 K HN 0.754 nan 8.250 nan 0.000 0.430 434 W N 5.076 126.286 121.300 -0.150 0.000 2.287 434 W HA 0.400 5.060 4.660 0.000 0.000 0.313 434 W C 0.240 176.761 176.519 0.004 0.000 1.267 434 W CA -0.115 57.233 57.345 0.006 0.000 1.201 434 W CB 0.830 30.348 29.460 0.097 0.000 1.196 434 W HN 0.261 nan 8.180 nan 0.000 0.536 435 M N 3.512 123.234 119.600 0.203 0.000 2.484 435 M HA 0.189 4.669 4.480 0.000 0.000 0.289 435 M C -1.347 174.712 176.300 -0.401 0.000 1.206 435 M CA -1.249 53.827 55.300 -0.374 0.000 0.892 435 M CB 2.321 34.583 32.600 -0.563 0.000 1.712 435 M HN 0.272 nan 8.290 nan 0.000 0.462 436 Y N 2.149 121.832 120.300 -1.028 0.000 2.359 436 Y HA 0.412 4.963 4.550 0.000 0.000 0.334 436 Y C 0.416 176.014 175.900 -0.504 0.000 1.058 436 Y CA -0.181 57.176 58.100 -1.238 0.000 1.244 436 Y CB 0.936 38.480 38.460 -1.526 0.000 1.187 436 Y HN 0.429 nan 8.280 nan 0.000 0.510 437 V N 2.409 121.743 119.914 -0.966 0.000 3.346 437 V HA 0.637 4.757 4.120 0.000 0.000 0.309 437 V C 0.361 176.086 176.094 -0.615 0.000 1.457 437 V CA 0.142 62.116 62.300 -0.542 0.000 1.069 437 V CB -0.161 31.459 31.823 -0.337 0.000 0.944 437 V HN 1.388 nan 8.190 nan 0.000 0.449 438 G N 1.456 109.447 108.800 -1.348 0.000 3.448 438 G HA2 -0.143 3.817 3.960 0.000 0.000 0.685 438 G HA3 -0.143 3.817 3.960 0.000 0.000 0.685 438 G C 0.115 174.868 174.900 -0.245 0.000 1.151 438 G CA 0.010 44.727 45.100 -0.639 0.000 1.023 438 G HN 0.532 nan 8.290 nan 0.000 0.499 439 R N 1.327 121.858 120.500 0.051 0.000 2.276 439 R HA -0.199 4.141 4.340 0.000 0.000 0.243 439 R C 2.607 178.953 176.300 0.077 0.000 1.161 439 R CA 2.196 58.382 56.100 0.142 0.000 1.007 439 R CB -0.014 30.423 30.300 0.228 0.000 0.867 439 R HN 0.742 nan 8.270 nan 0.000 0.472 440 Q N -0.662 119.176 119.800 0.064 0.000 2.435 440 Q HA -0.080 4.261 4.340 0.000 0.000 0.207 440 Q C 0.159 176.202 176.000 0.072 0.000 0.956 440 Q CA 0.888 56.733 55.803 0.071 0.000 0.917 440 Q CB 0.071 28.857 28.738 0.080 0.000 0.997 440 Q HN 0.372 nan 8.270 nan 0.000 0.497 441 N N 1.000 119.728 118.700 0.048 0.000 2.230 441 N HA 0.204 4.944 4.740 0.000 0.000 0.202 441 N C 0.017 175.526 175.510 -0.001 0.000 1.119 441 N CA 0.453 53.549 53.050 0.078 0.000 0.851 441 N CB 0.641 39.203 38.487 0.125 0.000 0.990 441 N HN 0.281 nan 8.380 nan 0.000 0.497 442 A N 0.193 123.013 122.820 -0.001 0.000 2.555 442 A HA 0.373 4.693 4.320 0.000 0.000 0.233 442 A C 1.500 179.087 177.584 0.004 0.000 1.060 442 A CA 0.982 53.016 52.037 -0.004 0.000 0.759 442 A CB -0.338 18.684 19.000 0.037 0.000 0.995 442 A HN 0.451 nan 8.150 nan 0.000 0.506 443 G N 0.598 109.391 108.800 -0.012 0.000 2.189 443 G HA2 -0.258 3.702 3.960 0.000 0.000 0.267 443 G HA3 -0.258 3.702 3.960 0.000 0.000 0.267 443 G C 0.280 175.186 174.900 0.010 0.000 0.975 443 G CA 0.875 45.975 45.100 0.001 0.000 0.644 443 G HN 0.993 nan 8.290 nan 0.000 0.537 444 Q N 0.090 119.888 119.800 -0.003 0.000 2.260 444 Q HA 0.568 4.908 4.340 0.000 0.000 0.242 444 Q C -0.339 175.681 176.000 0.032 0.000 0.932 444 Q CA 0.136 55.983 55.803 0.072 0.000 0.891 444 Q CB 0.980 29.837 28.738 0.198 0.000 1.222 444 Q HN 0.199 nan 8.270 nan 0.000 0.453 445 T N 1.937 116.593 114.554 0.170 0.000 2.809 445 T HA 0.306 4.656 4.350 0.000 0.000 0.296 445 T C -1.292 173.649 174.700 0.402 0.000 1.015 445 T CA -0.595 61.603 62.100 0.164 0.000 0.954 445 T CB 0.231 69.159 68.868 0.100 0.000 0.950 445 T HN 0.316 nan 8.240 nan 0.000 0.450 446 W N 3.185 124.520 121.300 0.058 0.000 2.438 446 W HA 0.563 5.223 4.660 0.000 0.000 0.324 446 W C 0.670 177.322 176.519 0.221 0.000 1.119 446 W CA -1.033 56.391 57.345 0.133 0.000 1.221 446 W CB 0.798 30.393 29.460 0.226 0.000 1.253 446 W HN 0.591 nan 8.180 nan 0.000 0.555 447 T N -1.134 113.621 114.554 0.335 0.000 2.908 447 T HA 0.246 4.596 4.350 0.000 0.000 0.290 447 T C -0.751 173.915 174.700 -0.056 0.000 1.034 447 T CA -0.874 61.346 62.100 0.200 0.000 1.010 447 T CB 2.266 71.171 68.868 0.062 0.000 1.068 447 T HN 0.208 nan 8.240 nan 0.000 0.481 448 D N 1.346 121.556 120.400 -0.317 0.000 2.346 448 D HA 0.106 4.746 4.640 0.000 0.000 0.260 448 D C 1.167 177.273 176.300 -0.323 0.000 1.252 448 D CA -0.362 53.286 54.000 -0.586 0.000 0.895 448 D CB 0.342 40.748 40.800 -0.655 0.000 1.097 448 D HN 0.551 nan 8.370 nan 0.000 0.489 449 L N 2.908 123.946 121.223 -0.308 0.000 2.131 449 L HA -0.195 4.146 4.340 0.000 0.000 0.210 449 L C 2.368 179.138 176.870 -0.167 0.000 1.092 449 L CA 1.576 56.288 54.840 -0.214 0.000 0.759 449 L CB -0.398 41.538 42.059 -0.206 0.000 0.903 449 L HN 0.540 nan 8.230 nan 0.000 0.435 450 T N -4.071 110.369 114.554 -0.191 0.000 3.055 450 T HA 0.054 4.404 4.350 0.000 0.000 0.265 450 T C 1.542 176.165 174.700 -0.128 0.000 1.111 450 T CA 0.658 62.670 62.100 -0.147 0.000 1.118 450 T CB 0.143 68.921 68.868 -0.150 0.000 0.909 450 T HN 0.482 nan 8.240 nan 0.000 0.501 451 G N 1.725 110.437 108.800 -0.146 0.000 2.162 451 G HA2 -0.307 3.654 3.960 0.000 0.000 0.260 451 G HA3 -0.307 3.654 3.960 0.000 0.000 0.260 451 G C 0.805 175.649 174.900 -0.094 0.000 0.976 451 G CA 0.345 45.379 45.100 -0.110 0.000 0.655 451 G HN 0.536 nan 8.290 nan 0.000 0.533 452 N N 0.430 119.064 118.700 -0.109 0.000 2.494 452 N HA 0.034 4.775 4.740 0.000 0.000 0.182 452 N C 0.503 175.981 175.510 -0.053 0.000 1.076 452 N CA 0.775 53.782 53.050 -0.073 0.000 0.908 452 N CB 0.062 38.507 38.487 -0.071 0.000 0.967 452 N HN 0.587 nan 8.380 nan 0.000 0.449 453 N N -0.974 117.681 118.700 -0.076 0.000 2.336 453 N HA 0.215 4.956 4.740 0.000 0.000 0.290 453 N C 0.215 175.711 175.510 -0.024 0.000 1.058 453 N CA -0.228 52.810 53.050 -0.019 0.000 0.865 453 N CB 1.749 40.278 38.487 0.069 0.000 1.581 453 N HN 0.017 nan 8.380 nan 0.000 0.480 454 G N 0.942 109.733 108.800 -0.016 0.000 2.985 454 G HA2 0.171 4.131 3.960 0.000 0.000 0.209 454 G HA3 0.171 4.131 3.960 0.000 0.000 0.209 454 G C 0.588 175.490 174.900 0.003 0.000 1.165 454 G CA 0.257 45.346 45.100 -0.018 0.000 0.776 454 G HN 0.714 nan 8.290 nan 0.000 0.541 455 A N 0.296 123.132 122.820 0.027 0.000 2.565 455 A HA 0.464 4.784 4.320 0.000 0.000 0.237 455 A C 0.609 178.265 177.584 0.120 0.000 1.053 455 A CA 0.404 52.441 52.037 0.001 0.000 0.755 455 A CB 0.317 19.297 19.000 -0.033 0.000 0.980 455 A HN 0.271 nan 8.150 nan 0.000 0.506 456 S N 1.768 117.480 115.700 0.019 0.000 2.474 456 S HA 0.488 4.958 4.470 0.000 0.000 0.321 456 S C -0.595 173.987 174.600 -0.030 0.000 1.080 456 S CA -0.556 57.676 58.200 0.053 0.000 1.106 456 S CB 0.330 63.538 63.200 0.014 0.000 0.984 456 S HN 0.650 nan 8.310 nan 0.000 0.464 457 V N 5.722 125.620 119.914 -0.026 0.000 2.370 457 V HA 0.398 4.518 4.120 0.000 0.000 0.279 457 V C 0.331 176.299 176.094 -0.210 0.000 1.029 457 V CA -0.476 61.668 62.300 -0.259 0.000 0.870 457 V CB 1.457 32.909 31.823 -0.618 0.000 0.984 457 V HN 0.870 nan 8.190 nan 0.000 0.451 458 T N 6.343 120.758 114.554 -0.232 0.000 2.795 458 T HA 0.508 4.858 4.350 0.000 0.000 0.282 458 T C -0.026 174.525 174.700 -0.248 0.000 0.980 458 T CA -0.358 61.636 62.100 -0.178 0.000 1.012 458 T CB 0.881 69.693 68.868 -0.093 0.000 0.936 458 T HN 0.292 nan 8.240 nan 0.000 0.457 459 I N 4.762 125.166 120.570 -0.276 0.000 2.416 459 I HA 0.165 4.335 4.170 0.000 0.000 0.288 459 I C 1.053 177.125 176.117 -0.075 0.000 1.051 459 I CA -0.821 60.328 61.300 -0.252 0.000 1.375 459 I CB -0.198 37.581 38.000 -0.370 0.000 1.407 459 I HN 0.710 nan 8.210 nan 0.000 0.516 460 N N 5.236 123.956 118.700 0.033 0.000 2.267 460 N HA 0.045 4.785 4.740 0.000 0.000 0.266 460 N C 1.244 176.797 175.510 0.072 0.000 1.295 460 N CA 0.299 53.395 53.050 0.076 0.000 0.914 460 N CB -0.225 38.345 38.487 0.139 0.000 1.083 460 N HN 0.598 nan 8.380 nan 0.000 0.507 461 G N -1.844 106.998 108.800 0.070 0.000 2.464 461 G HA2 -0.135 3.825 3.960 0.000 0.000 0.217 461 G HA3 -0.135 3.825 3.960 0.000 0.000 0.217 461 G C 0.456 175.425 174.900 0.115 0.000 1.138 461 G CA 0.330 45.472 45.100 0.069 0.000 0.793 461 G HN 0.635 nan 8.290 nan 0.000 0.539 462 D N 0.646 121.146 120.400 0.166 0.000 2.324 462 D HA 0.173 4.813 4.640 0.000 0.000 0.235 462 D C 1.876 178.478 176.300 0.502 0.000 1.095 462 D CA 0.709 54.879 54.000 0.283 0.000 0.871 462 D CB -0.138 40.796 40.800 0.223 0.000 0.906 462 D HN 0.335 nan 8.370 nan 0.000 0.522 463 G N 0.526 109.507 108.800 0.302 0.000 2.168 463 G HA2 -0.277 3.683 3.960 0.000 0.000 0.257 463 G HA3 -0.277 3.683 3.960 0.000 0.000 0.257 463 G C -0.199 174.730 174.900 0.048 0.000 0.997 463 G CA 0.006 45.187 45.100 0.136 0.000 0.708 463 G HN 0.195 nan 8.290 nan 0.000 0.520 464 W N -0.623 120.736 121.300 0.098 0.000 2.576 464 W HA 0.701 5.361 4.660 0.000 0.000 0.360 464 W C 0.574 177.135 176.519 0.071 0.000 1.109 464 W CA 0.262 57.702 57.345 0.159 0.000 1.237 464 W CB 1.988 31.598 29.460 0.250 0.000 1.369 464 W HN 0.653 nan 8.180 nan 0.000 0.609 465 G N 0.523 109.472 108.800 0.248 0.000 2.742 465 G HA2 0.414 4.375 3.960 0.000 0.000 0.296 465 G HA3 0.414 4.375 3.960 0.000 0.000 0.296 465 G C -2.083 172.296 174.900 -0.869 0.000 1.436 465 G CA -0.855 44.002 45.100 -0.405 0.000 0.928 465 G HN 0.359 nan 8.290 nan 0.000 0.520 466 E N 0.863 120.181 120.200 -1.471 0.000 2.174 466 E HA 0.563 4.913 4.350 0.000 0.000 0.282 466 E C -1.110 174.698 176.600 -1.319 0.000 0.992 466 E CA -0.569 54.876 56.400 -1.591 0.000 0.803 466 E CB 0.780 29.327 29.700 -1.922 0.000 1.090 466 E HN 0.211 nan 8.360 nan 0.000 0.396 467 F N 3.834 123.339 119.950 -0.741 0.000 2.480 467 F HA 0.467 4.994 4.527 0.000 0.000 0.329 467 F C -0.477 174.981 175.800 -0.570 0.000 1.091 467 F CA -0.642 56.984 58.000 -0.624 0.000 0.972 467 F CB 0.979 39.646 39.000 -0.554 0.000 1.150 467 F HN 0.372 nan 8.300 nan 0.000 0.467 468 F N 0.526 120.403 119.950 -0.121 0.000 2.508 468 F HA 0.646 5.173 4.527 0.000 0.000 0.325 468 F C 0.223 176.093 175.800 0.117 0.000 1.090 468 F CA -0.816 57.172 58.000 -0.020 0.000 0.945 468 F CB 2.283 41.256 39.000 -0.044 0.000 1.156 468 F HN 0.306 nan 8.300 nan 0.000 0.463 469 T N 2.415 117.091 114.554 0.203 0.000 2.916 469 T HA 0.405 4.755 4.350 0.000 0.000 0.305 469 T C -0.659 174.103 174.700 0.105 0.000 1.119 469 T CA -0.789 61.390 62.100 0.131 0.000 1.008 469 T CB 0.888 69.784 68.868 0.047 0.000 1.129 469 T HN 0.513 nan 8.240 nan 0.000 0.480 470 N N 1.110 119.860 118.700 0.082 0.000 2.364 470 N HA 0.397 5.137 4.740 0.000 0.000 0.264 470 N C 0.635 176.190 175.510 0.075 0.000 1.263 470 N CA -0.197 52.896 53.050 0.072 0.000 0.959 470 N CB 0.487 39.006 38.487 0.054 0.000 1.204 470 N HN 0.834 nan 8.380 nan 0.000 0.550 471 G N -1.647 107.201 108.800 0.080 0.000 2.544 471 G HA2 0.336 4.296 3.960 0.000 0.000 0.242 471 G HA3 0.336 4.296 3.960 0.000 0.000 0.242 471 G C 0.766 175.745 174.900 0.132 0.000 1.247 471 G CA 0.118 45.280 45.100 0.105 0.000 0.840 471 G HN 0.716 nan 8.290 nan 0.000 0.578 472 G N -0.702 108.219 108.800 0.201 0.000 2.441 472 G HA2 -0.013 3.947 3.960 0.000 0.000 0.298 472 G HA3 -0.013 3.947 3.960 0.000 0.000 0.298 472 G C 0.461 175.484 174.900 0.205 0.000 0.949 472 G CA 1.188 46.476 45.100 0.313 0.000 1.072 472 G HN 1.307 nan 8.290 nan 0.000 0.512 473 S N -2.300 113.462 115.700 0.104 0.000 2.794 473 S HA 0.830 5.301 4.470 0.000 0.000 0.299 473 S C -0.897 173.680 174.600 -0.037 0.000 1.179 473 S CA 0.109 58.325 58.200 0.026 0.000 0.838 473 S CB 2.383 65.600 63.200 0.029 0.000 1.206 473 S HN 1.604 nan 8.310 nan 0.000 0.523 474 V N 1.175 121.046 119.914 -0.073 0.000 2.969 474 V HA 0.823 4.943 4.120 0.000 0.000 0.304 474 V C -1.424 174.596 176.094 -0.123 0.000 1.192 474 V CA -0.103 62.128 62.300 -0.115 0.000 0.962 474 V CB 1.934 33.662 31.823 -0.159 0.000 1.045 474 V HN 0.911 nan 8.190 nan 0.000 0.428 475 S N 3.883 119.500 115.700 -0.138 0.000 2.548 475 S HA 0.804 5.274 4.470 0.000 0.000 0.286 475 S C -1.106 173.348 174.600 -0.243 0.000 1.098 475 S CA -0.585 57.484 58.200 -0.217 0.000 0.930 475 S CB 2.028 65.096 63.200 -0.220 0.000 1.070 475 S HN 0.790 nan 8.310 nan 0.000 0.480 476 V N 3.429 123.145 119.914 -0.330 0.000 2.340 476 V HA 0.338 4.459 4.120 0.000 0.000 0.277 476 V C -1.529 174.385 176.094 -0.301 0.000 1.017 476 V CA -0.615 61.535 62.300 -0.250 0.000 0.820 476 V CB 0.106 31.815 31.823 -0.191 0.000 1.028 476 V HN 0.830 nan 8.190 nan 0.000 0.436 477 Y N 3.864 124.079 120.300 -0.141 0.000 2.309 477 Y HA 0.625 5.175 4.550 0.000 0.000 0.327 477 Y C 0.492 176.195 175.900 -0.329 0.000 1.172 477 Y CA -0.411 57.664 58.100 -0.042 0.000 1.280 477 Y CB 1.530 40.208 38.460 0.364 0.000 1.234 477 Y HN 0.517 nan 8.280 nan 0.000 0.512 478 V N -0.460 119.199 119.914 -0.424 0.000 3.188 478 V HA 0.431 4.551 4.120 0.000 0.000 0.305 478 V C -0.800 174.707 176.094 -0.978 0.000 1.232 478 V CA -1.359 60.288 62.300 -1.088 0.000 1.043 478 V CB 2.226 33.219 31.823 -1.384 0.000 1.068 478 V HN 0.831 nan 8.190 nan 0.000 0.439 479 N N 2.196 120.254 118.700 -1.070 0.000 2.968 479 N HA 0.223 4.963 4.740 0.000 0.000 0.271 479 N C 0.020 175.447 175.510 -0.137 0.000 1.174 479 N CA -0.287 52.530 53.050 -0.388 0.000 1.096 479 N CB 0.339 38.778 38.487 -0.080 0.000 1.403 479 N HN 0.899 nan 8.380 nan 0.000 0.522 480 Q N 0.000 119.718 119.800 -0.137 0.000 2.315 480 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 480 Q CA 0.000 55.783 55.803 -0.033 0.000 1.022 480 Q CB 0.000 28.685 28.738 -0.088 0.000 1.108 480 Q HN 0.000 nan 8.270 nan 0.000 0.481