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 2e6k_1_A DATA FIRST_RESID 5 DATA SEQUENCE RDLETLSVNA IRFLAIDAVE KARSGHPGXP XGXAPLAYLL FREVXRHNPL DATA SEQUENCE DPDWPDRDRF VLSAGHGSXL LYAVLHLTGY DLPLEELKSF RQWGSKTPGH DATA SEQUENCE PERGHTPGVE VTTGPLGQGI STAVGLALAE RKLAAEFNRP GHVVVDHYTY DATA SEQUENCE VLASDGDLXE GVSGEAASLA GHWGLSKLIV FWDDNRISID GPTDLAFTED DATA SEQUENCE VLARYRAYGW QTLRVEDVND LEALRKAIKL AKLDERPTLI AVRSHIGFGS DATA SEQUENCE PKQDSAKAHG EPLGPEAVEA TRRNLGWPYP PFVVPEEVYR HXDXREKGRA DATA SEQUENCE WQEAWEKALE AYARAYPDLH QELXRRLRGE LPPLPEEPPS FDKPIATRAA DATA SEQUENCE SGRALNLLAP RLPELLGGSA DLTPSNNTKA EGXEDFSRAN PLGRYLHFGV DATA SEQUENCE REHAXGAILN GLNLHGGYRA YGGTFLVFSD YXRPAIRLAA LXGVPTVFVF DATA SEQUENCE THDSIALGED GPTHQPVEHL XSLRAXPNLF VIRPADAYET FYAWLVALRR DATA SEQUENCE KEGPTALVLT RQAVPLLSPE KARGLLRGGY VLEDVEEPQG VLVATGSEVH DATA SEQUENCE LALRAQALLR EKGVRVRVVS LPSFELFAAQ PEAYRKEVLP PGLPVVAVEA DATA SEQUENCE GASLGWERYA HKVVALDRFG ASAPYPEVYE RLGFTPERVA EAFLSLV 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.278 176.300 -0.037 0.000 0.893 5 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 5 R CB 0.000 30.294 30.300 -0.009 0.000 0.687 6 D N 0.617 120.995 120.400 -0.037 0.000 2.137 6 D HA -0.016 4.624 4.640 -0.000 0.000 0.202 6 D C 1.524 177.797 176.300 -0.045 0.000 0.970 6 D CA 0.911 54.896 54.000 -0.025 0.000 0.837 6 D CB 0.120 40.912 40.800 -0.014 0.000 0.981 6 D HN 0.256 nan 8.370 nan 0.000 0.475 7 L N 1.432 122.596 121.223 -0.097 0.000 2.093 7 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 7 L C 2.408 179.190 176.870 -0.145 0.000 1.085 7 L CA 1.411 56.164 54.840 -0.146 0.000 0.755 7 L CB -0.951 40.879 42.059 -0.382 0.000 0.904 7 L HN 0.109 nan 8.230 nan 0.000 0.435 8 E N -0.893 119.201 120.200 -0.177 0.000 2.017 8 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 8 E C 1.961 178.338 176.600 -0.371 0.000 0.997 8 E CA 1.866 58.043 56.400 -0.371 0.000 0.804 8 E CB -0.189 29.389 29.700 -0.203 0.000 0.757 8 E HN 0.406 nan 8.360 nan 0.000 0.448 9 T N 1.693 116.143 114.554 -0.173 0.000 2.720 9 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 9 T C 1.861 176.546 174.700 -0.024 0.000 1.037 9 T CA 0.859 62.904 62.100 -0.092 0.000 1.144 9 T CB -0.234 68.627 68.868 -0.012 0.000 0.864 9 T HN -0.007 nan 8.240 nan 0.000 0.444 10 L N 0.901 122.138 121.223 0.023 0.000 2.056 10 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 10 L C 2.572 179.510 176.870 0.113 0.000 1.078 10 L CA 1.603 56.542 54.840 0.166 0.000 0.749 10 L CB -0.693 41.449 42.059 0.139 0.000 0.901 10 L HN 0.109 nan 8.230 nan 0.000 0.433 11 S N -1.422 114.262 115.700 -0.027 0.000 2.368 11 S HA -0.132 4.337 4.470 -0.000 0.000 0.224 11 S C 1.977 176.495 174.600 -0.136 0.000 1.029 11 S CA 1.267 59.443 58.200 -0.040 0.000 0.988 11 S CB -0.332 62.890 63.200 0.038 0.000 0.838 11 S HN 0.293 nan 8.310 nan 0.000 0.462 12 V N 3.188 122.932 119.914 -0.283 0.000 2.332 12 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 12 V C 2.134 178.102 176.094 -0.209 0.000 1.055 12 V CA 1.572 63.722 62.300 -0.249 0.000 1.038 12 V CB -0.715 30.936 31.823 -0.286 0.000 0.651 12 V HN 0.452 nan 8.190 nan 0.000 0.450 13 N N 0.251 118.839 118.700 -0.187 0.000 2.244 13 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 13 N C 1.883 177.060 175.510 -0.555 0.000 1.016 13 N CA 1.473 54.348 53.050 -0.291 0.000 0.866 13 N CB -0.349 38.044 38.487 -0.158 0.000 0.980 13 N HN 0.504 nan 8.380 nan 0.000 0.430 14 A N 1.402 123.975 122.820 -0.412 0.000 1.883 14 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 14 A C 2.317 179.785 177.584 -0.194 0.000 1.186 14 A CA 0.955 52.838 52.037 -0.257 0.000 0.624 14 A CB -0.653 18.337 19.000 -0.016 0.000 0.822 14 A HN 0.202 nan 8.150 nan 0.000 0.444 15 I N -0.982 119.482 120.570 -0.175 0.000 2.179 15 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 15 I C 2.811 178.787 176.117 -0.235 0.000 1.088 15 I CA 1.443 62.645 61.300 -0.164 0.000 1.357 15 I CB -0.386 37.525 38.000 -0.147 0.000 1.051 15 I HN 0.297 nan 8.210 nan 0.000 0.409 16 R N 0.246 120.554 120.500 -0.319 0.000 2.083 16 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 16 R C 2.282 178.234 176.300 -0.579 0.000 1.137 16 R CA 1.782 57.609 56.100 -0.456 0.000 0.951 16 R CB -0.470 29.488 30.300 -0.571 0.000 0.851 16 R HN 0.253 nan 8.270 nan 0.000 0.434 17 F N 0.471 120.141 119.950 -0.466 0.000 2.367 17 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 17 F C 2.145 177.773 175.800 -0.287 0.000 1.094 17 F CA 0.613 58.368 58.000 -0.408 0.000 1.409 17 F CB -0.170 38.455 39.000 -0.625 0.000 1.064 17 F HN -0.061 nan 8.300 nan 0.000 0.528 18 L N -0.519 120.644 121.223 -0.101 0.000 2.131 18 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 18 L C 2.662 179.438 176.870 -0.156 0.000 1.092 18 L CA 1.055 55.843 54.840 -0.087 0.000 0.759 18 L CB -0.758 41.295 42.059 -0.010 0.000 0.903 18 L HN 0.168 nan 8.230 nan 0.000 0.435 19 A N 0.244 122.944 122.820 -0.201 0.000 1.872 19 A HA -0.143 4.176 4.320 -0.000 0.000 0.214 19 A C 2.173 179.627 177.584 -0.217 0.000 1.187 19 A CA 1.236 53.132 52.037 -0.235 0.000 0.614 19 A CB -0.533 18.322 19.000 -0.241 0.000 0.826 19 A HN 0.301 nan 8.150 nan 0.000 0.442 20 I N 0.141 120.574 120.570 -0.230 0.000 2.179 20 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 20 I C 1.826 177.864 176.117 -0.131 0.000 1.088 20 I CA 1.622 62.816 61.300 -0.177 0.000 1.357 20 I CB -0.469 37.400 38.000 -0.219 0.000 1.051 20 I HN 0.281 nan 8.210 nan 0.000 0.409 21 D N 1.033 121.310 120.400 -0.206 0.000 2.144 21 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 21 D C 2.239 178.385 176.300 -0.256 0.000 0.978 21 D CA 1.485 55.272 54.000 -0.354 0.000 0.833 21 D CB -0.180 40.150 40.800 -0.783 0.000 0.961 21 D HN 0.358 nan 8.370 nan 0.000 0.470 22 A N 0.768 123.508 122.820 -0.133 0.000 1.902 22 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 22 A C 2.538 180.276 177.584 0.256 0.000 1.181 22 A CA 1.097 53.256 52.037 0.203 0.000 0.623 22 A CB -0.702 18.298 19.000 -0.000 0.000 0.818 22 A HN 0.141 nan 8.150 nan 0.000 0.443 23 V N -0.150 119.835 119.914 0.118 0.000 2.358 23 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 23 V C 2.580 178.779 176.094 0.175 0.000 1.047 23 V CA 2.344 64.787 62.300 0.238 0.000 1.035 23 V CB -0.621 31.272 31.823 0.116 0.000 0.658 23 V HN 0.680 nan 8.190 nan 0.000 0.452 24 E N 0.748 121.007 120.200 0.099 0.000 2.051 24 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 24 E C 2.246 178.924 176.600 0.130 0.000 0.991 24 E CA 1.724 58.175 56.400 0.085 0.000 0.799 24 E CB -0.301 29.425 29.700 0.043 0.000 0.748 24 E HN 0.520 nan 8.360 nan 0.000 0.449 25 K N -0.593 119.923 120.400 0.193 0.000 2.057 25 K HA -0.082 4.237 4.320 -0.000 0.000 0.207 25 K C 1.892 178.609 176.600 0.196 0.000 1.049 25 K CA 1.287 57.715 56.287 0.235 0.000 0.931 25 K CB -0.219 32.519 32.500 0.396 0.000 0.714 25 K HN 0.174 nan 8.250 nan 0.000 0.440 26 A N 0.878 123.837 122.820 0.232 0.000 2.119 26 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 26 A C 0.447 178.096 177.584 0.109 0.000 1.152 26 A CA 0.765 52.905 52.037 0.172 0.000 0.708 26 A CB -0.234 18.896 19.000 0.217 0.000 0.805 26 A HN 0.483 nan 8.150 nan 0.000 0.460 27 R N -1.154 119.414 120.500 0.114 0.000 3.641 27 R HA -0.143 4.196 4.340 -0.000 0.000 0.286 27 R C -0.138 176.192 176.300 0.050 0.000 1.153 27 R CA 0.844 56.987 56.100 0.072 0.000 0.775 27 R CB -2.578 27.756 30.300 0.056 0.000 1.215 27 R HN 0.552 nan 8.270 nan 0.000 0.474 28 S N -1.710 114.030 115.700 0.066 0.000 2.565 28 S HA 0.711 5.181 4.470 -0.000 0.000 0.274 28 S C -0.450 174.195 174.600 0.075 0.000 1.144 28 S CA 0.422 58.633 58.200 0.019 0.000 0.849 28 S CB 2.203 65.389 63.200 -0.024 0.000 1.103 28 S HN 1.008 nan 8.310 nan 0.000 0.455 29 G N 2.407 111.210 108.800 0.004 0.000 2.353 29 G HA2 0.205 4.165 3.960 -0.000 0.000 0.615 29 G HA3 0.205 4.165 3.960 -0.000 0.000 0.615 29 G C -2.049 172.792 174.900 -0.098 0.000 1.280 29 G CA -0.804 44.386 45.100 0.151 0.000 1.000 29 G HN 1.027 nan 8.290 nan 0.000 0.516 30 H N 1.208 120.326 119.070 0.079 0.000 2.685 30 H HA 0.532 5.088 4.556 -0.000 0.000 0.307 30 H C -1.468 173.838 175.328 -0.037 0.000 1.017 30 H CA -1.289 54.739 56.048 -0.033 0.000 1.237 30 H CB 2.024 31.748 29.762 -0.063 0.000 1.409 30 H HN 0.368 nan 8.280 nan 0.000 0.488 31 P HA 0.065 nan 4.420 nan 0.000 0.232 31 P C 1.063 178.346 177.300 -0.027 0.000 1.170 31 P CA 0.314 63.397 63.100 -0.028 0.000 0.824 31 P CB 0.600 32.272 31.700 -0.046 0.000 0.896 39 P HA -0.122 nan 4.420 nan 0.000 0.216 39 P C 1.663 178.920 177.300 -0.071 0.000 1.150 39 P CA 1.408 64.444 63.100 -0.107 0.000 0.837 39 P CB 0.060 31.659 31.700 -0.168 0.000 0.786 40 L N -0.614 120.513 121.223 -0.160 0.000 2.072 40 L HA 0.039 4.379 4.340 -0.000 0.000 0.205 40 L C 2.171 178.883 176.870 -0.263 0.000 1.079 40 L CA 1.791 56.474 54.840 -0.262 0.000 0.752 40 L CB -1.548 40.301 42.059 -0.349 0.000 0.906 40 L HN -0.141 nan 8.230 nan 0.000 0.436 41 A N -0.979 121.715 122.820 -0.210 0.000 1.883 41 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 41 A C 2.319 179.836 177.584 -0.111 0.000 1.186 41 A CA 1.938 53.837 52.037 -0.229 0.000 0.624 41 A CB -1.300 17.544 19.000 -0.260 0.000 0.822 41 A HN 0.656 nan 8.150 nan 0.000 0.444 42 Y N 0.144 120.346 120.300 -0.163 0.000 2.097 42 Y HA -0.201 4.349 4.550 -0.000 0.000 0.282 42 Y C 2.040 177.902 175.900 -0.064 0.000 1.152 42 Y CA 1.898 59.942 58.100 -0.092 0.000 1.136 42 Y CB -0.397 38.014 38.460 -0.082 0.000 0.975 42 Y HN 0.234 nan 8.280 nan 0.000 0.498 43 L N -0.425 120.685 121.223 -0.190 0.000 2.012 43 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 43 L C 2.382 179.058 176.870 -0.325 0.000 1.073 43 L CA 1.758 56.428 54.840 -0.283 0.000 0.748 43 L CB -0.490 41.473 42.059 -0.161 0.000 0.891 43 L HN 0.400 nan 8.230 nan 0.000 0.431 44 L N -1.482 119.536 121.223 -0.343 0.000 2.017 44 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 44 L C 2.380 178.993 176.870 -0.429 0.000 1.073 44 L CA 1.361 55.927 54.840 -0.456 0.000 0.745 44 L CB -0.530 41.179 42.059 -0.583 0.000 0.894 44 L HN 0.145 nan 8.230 nan 0.000 0.432 45 F N -0.933 118.783 119.950 -0.389 0.000 2.456 45 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 45 F C 2.668 178.471 175.800 0.005 0.000 1.104 45 F CA 0.799 58.651 58.000 -0.247 0.000 1.435 45 F CB -0.182 38.679 39.000 -0.232 0.000 1.078 45 F HN -0.056 nan 8.300 nan 0.000 0.546 46 R N 0.230 120.685 120.500 -0.075 0.000 2.167 46 R HA 0.082 4.422 4.340 -0.000 0.000 0.201 46 R C 1.434 177.678 176.300 -0.094 0.000 1.024 46 R CA 1.116 57.125 56.100 -0.152 0.000 1.053 46 R CB 0.152 30.131 30.300 -0.535 0.000 0.987 46 R HN 0.262 nan 8.270 nan 0.000 0.493 47 E N -0.495 119.615 120.200 -0.150 0.000 2.306 47 E HA 0.128 4.478 4.350 -0.000 0.000 0.201 47 E C 0.481 177.059 176.600 -0.037 0.000 0.874 47 E CA -0.022 56.343 56.400 -0.059 0.000 0.972 47 E CB 0.674 30.321 29.700 -0.088 0.000 0.957 47 E HN -0.081 nan 8.360 nan 0.000 0.492 51 H N -0.528 118.582 119.070 0.067 0.000 3.003 51 H HA 0.487 5.043 4.556 -0.000 0.000 0.327 51 H C -1.481 174.111 175.328 0.440 0.000 1.353 51 H CA -1.141 55.119 56.048 0.353 0.000 1.142 51 H CB 1.770 31.648 29.762 0.193 0.000 1.864 51 H HN 0.314 nan 8.280 nan 0.000 0.529 52 N N 1.882 120.771 118.700 0.315 0.000 2.573 52 N HA 0.219 4.959 4.740 -0.000 0.000 0.262 52 N C -2.046 173.357 175.510 -0.179 0.000 1.029 52 N CA -2.748 50.307 53.050 0.008 0.000 0.882 52 N CB 1.758 40.224 38.487 -0.035 0.000 1.204 52 N HN 0.481 nan 8.380 nan 0.000 0.519 53 P HA -0.124 nan 4.420 nan 0.000 0.221 53 P C 1.102 178.097 177.300 -0.509 0.000 1.145 53 P CA 0.578 63.007 63.100 -1.118 0.000 0.795 53 P CB 0.553 31.700 31.700 -0.923 0.000 0.775 54 L N -0.612 120.452 121.223 -0.264 0.000 2.395 54 L HA 0.100 4.440 4.340 -0.000 0.000 0.218 54 L C 0.690 177.520 176.870 -0.067 0.000 1.130 54 L CA 1.378 56.135 54.840 -0.139 0.000 0.826 54 L CB -1.426 40.563 42.059 -0.116 0.000 0.941 54 L HN 0.053 nan 8.230 nan 0.000 0.451 55 D N -1.168 119.209 120.400 -0.039 0.000 2.472 55 D HA 0.235 4.875 4.640 -0.000 0.000 0.248 55 D C -2.084 174.296 176.300 0.134 0.000 1.271 55 D CA -1.469 52.562 54.000 0.051 0.000 0.888 55 D CB 1.437 42.273 40.800 0.060 0.000 1.337 55 D HN -0.146 nan 8.370 nan 0.000 0.526 56 P HA 0.017 nan 4.420 nan 0.000 0.228 56 P C 0.308 177.703 177.300 0.159 0.000 1.151 56 P CA 0.688 63.945 63.100 0.261 0.000 0.770 56 P CB 0.370 32.264 31.700 0.323 0.000 0.786 57 D N -2.777 117.691 120.400 0.115 0.000 2.340 57 D HA -0.011 4.629 4.640 -0.000 0.000 0.217 57 D C 0.131 176.445 176.300 0.023 0.000 1.081 57 D CA -0.227 53.797 54.000 0.041 0.000 0.842 57 D CB -0.181 40.643 40.800 0.040 0.000 0.934 57 D HN 0.193 nan 8.370 nan 0.000 0.511 58 W N 3.453 124.677 121.300 -0.127 0.000 2.613 58 W HA 0.051 4.710 4.660 -0.000 0.000 0.342 58 W C -1.810 174.442 176.519 -0.445 0.000 1.416 58 W CA -1.891 55.311 57.345 -0.238 0.000 1.335 58 W CB 0.322 29.669 29.460 -0.189 0.000 1.396 58 W HN -0.079 nan 8.180 nan 0.000 0.572 59 P HA -0.257 nan 4.420 nan 0.000 0.217 59 P C 0.844 177.346 177.300 -1.330 0.000 1.148 59 P CA 2.141 64.721 63.100 -0.867 0.000 0.834 59 P CB 0.252 31.631 31.700 -0.535 0.000 0.783 60 D N -1.600 117.515 120.400 -2.141 0.000 2.342 60 D HA 0.010 4.650 4.640 -0.000 0.000 0.221 60 D C 0.541 175.632 176.300 -2.015 0.000 1.101 60 D CA -0.268 52.652 54.000 -1.800 0.000 0.837 60 D CB -0.213 39.682 40.800 -1.508 0.000 0.938 60 D HN 0.167 nan 8.370 nan 0.000 0.508 61 R N 0.054 119.276 120.500 -2.129 0.000 2.694 61 R HA 0.195 4.535 4.340 -0.000 0.000 0.268 61 R C -0.339 175.512 176.300 -0.748 0.000 1.061 61 R CA -0.348 54.968 56.100 -1.305 0.000 1.133 61 R CB 0.592 30.549 30.300 -0.571 0.000 1.020 61 R HN -0.127 nan 8.270 nan 0.000 0.475 62 D N 1.710 121.904 120.400 -0.342 0.000 2.362 62 D HA 0.129 4.769 4.640 -0.000 0.000 0.242 62 D C -0.196 176.059 176.300 -0.074 0.000 1.132 62 D CA 0.087 54.036 54.000 -0.084 0.000 0.907 62 D CB 0.879 41.749 40.800 0.116 0.000 1.195 62 D HN 0.388 nan 8.370 nan 0.000 0.429 63 R N 0.738 121.251 120.500 0.023 0.000 2.494 63 R HA 0.384 4.724 4.340 -0.000 0.000 0.305 63 R C -0.763 175.646 176.300 0.182 0.000 0.959 63 R CA -0.803 55.323 56.100 0.044 0.000 0.864 63 R CB 1.422 31.720 30.300 -0.003 0.000 1.159 63 R HN 0.297 nan 8.270 nan 0.000 0.446 64 F N 3.326 123.294 119.950 0.031 0.000 2.436 64 F HA 0.490 5.017 4.527 -0.000 0.000 0.340 64 F C -0.955 174.909 175.800 0.107 0.000 1.113 64 F CA -0.872 57.185 58.000 0.094 0.000 1.022 64 F CB 1.300 40.313 39.000 0.021 0.000 1.128 64 F HN 0.125 nan 8.300 nan 0.000 0.466 65 V N 7.693 127.146 119.914 -0.769 0.000 2.444 65 V HA 0.281 4.401 4.120 -0.000 0.000 0.294 65 V C -0.716 174.866 176.094 -0.854 0.000 1.022 65 V CA -0.793 61.155 62.300 -0.587 0.000 0.850 65 V CB 1.489 33.178 31.823 -0.223 0.000 0.992 65 V HN 0.675 nan 8.190 nan 0.000 0.426 66 L N 4.527 125.392 121.223 -0.597 0.000 2.389 66 L HA 0.347 4.687 4.340 -0.000 0.000 0.265 66 L C 1.545 178.328 176.870 -0.145 0.000 1.167 66 L CA 0.835 55.478 54.840 -0.327 0.000 1.045 66 L CB 0.802 42.802 42.059 -0.099 0.000 1.351 66 L HN 0.723 nan 8.230 nan 0.000 0.419 67 S N 3.061 118.697 115.700 -0.107 0.000 2.399 67 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 67 S C 1.289 175.900 174.600 0.018 0.000 1.022 67 S CA 0.898 59.082 58.200 -0.027 0.000 0.983 67 S CB -0.050 63.150 63.200 -0.000 0.000 0.803 67 S HN 0.763 nan 8.310 nan 0.000 0.480 68 A N 0.940 123.770 122.820 0.016 0.000 3.056 68 A HA 0.550 4.870 4.320 -0.000 0.000 0.274 68 A C 1.446 178.952 177.584 -0.130 0.000 1.661 68 A CA 0.197 52.253 52.037 0.032 0.000 1.363 68 A CB -0.799 18.215 19.000 0.023 0.000 1.139 68 A HN 0.496 nan 8.150 nan 0.000 0.598 69 G N 1.433 110.250 108.800 0.028 0.000 2.475 69 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.220 69 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.220 69 G C 1.426 176.296 174.900 -0.049 0.000 1.125 69 G CA 1.301 46.433 45.100 0.053 0.000 0.755 69 G HN 0.993 nan 8.290 nan 0.000 0.565 70 H N 0.292 119.332 119.070 -0.049 0.000 2.460 70 H HA -0.041 4.515 4.556 -0.000 0.000 0.297 70 H C 2.117 177.215 175.328 -0.382 0.000 1.103 70 H CA 1.093 56.835 56.048 -0.510 0.000 1.292 70 H CB -0.885 28.377 29.762 -0.833 0.000 1.376 70 H HN 0.256 nan 8.280 nan 0.000 0.531 71 G N 1.851 110.211 108.800 -0.733 0.000 3.424 71 G HA2 0.103 4.063 3.960 -0.000 0.000 0.263 71 G HA3 0.103 4.063 3.960 -0.000 0.000 0.263 71 G C 0.455 175.159 174.900 -0.327 0.000 1.310 71 G CA 0.153 44.989 45.100 -0.440 0.000 1.089 71 G HN 0.648 nan 8.290 nan 0.000 0.534 75 L N -0.674 120.350 121.223 -0.333 0.000 2.068 75 L HA -0.089 4.251 4.340 -0.000 0.000 0.204 75 L C 2.245 178.965 176.870 -0.249 0.000 1.076 75 L CA 1.562 56.208 54.840 -0.324 0.000 0.753 75 L CB -0.215 41.694 42.059 -0.250 0.000 0.910 75 L HN 0.376 nan 8.230 nan 0.000 0.439 76 Y N -0.001 120.212 120.300 -0.146 0.000 2.207 76 Y HA -0.201 4.349 4.550 -0.000 0.000 0.287 76 Y C 2.661 178.506 175.900 -0.091 0.000 1.156 76 Y CA 0.704 58.742 58.100 -0.104 0.000 1.182 76 Y CB -1.391 37.022 38.460 -0.079 0.000 0.979 76 Y HN 0.223 nan 8.280 nan 0.000 0.521 77 A N -0.553 122.267 122.820 -0.000 0.000 1.873 77 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 77 A C 2.535 180.098 177.584 -0.035 0.000 1.186 77 A CA 1.770 53.805 52.037 -0.004 0.000 0.616 77 A CB -1.236 17.713 19.000 -0.085 0.000 0.823 77 A HN 0.275 nan 8.150 nan 0.000 0.442 78 V N -0.122 119.657 119.914 -0.225 0.000 2.667 78 V HA -0.124 3.996 4.120 -0.000 0.000 0.252 78 V C 2.322 178.225 176.094 -0.318 0.000 1.065 78 V CA 1.626 63.712 62.300 -0.358 0.000 1.083 78 V CB -0.377 30.992 31.823 -0.757 0.000 0.692 78 V HN 0.568 nan 8.190 nan 0.000 0.468 79 L N -0.560 120.490 121.223 -0.288 0.000 2.072 79 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 79 L C 2.512 179.479 176.870 0.160 0.000 1.079 79 L CA 2.005 56.746 54.840 -0.164 0.000 0.752 79 L CB -0.787 41.148 42.059 -0.206 0.000 0.906 79 L HN 0.496 nan 8.230 nan 0.000 0.436 80 H N 0.434 119.557 119.070 0.088 0.000 2.321 80 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 80 H C 2.172 177.630 175.328 0.217 0.000 1.087 80 H CA 1.708 57.852 56.048 0.160 0.000 1.319 80 H CB -0.109 29.739 29.762 0.142 0.000 1.379 80 H HN 0.123 nan 8.280 nan 0.000 0.501 81 L N 0.050 121.318 121.223 0.075 0.000 2.131 81 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 81 L C 2.259 179.181 176.870 0.087 0.000 1.092 81 L CA 1.746 56.615 54.840 0.049 0.000 0.759 81 L CB -0.527 41.552 42.059 0.033 0.000 0.903 81 L HN 0.558 nan 8.230 nan 0.000 0.435 82 T N -4.208 110.435 114.554 0.149 0.000 3.129 82 T HA 0.276 4.626 4.350 -0.000 0.000 0.251 82 T C 1.326 176.130 174.700 0.172 0.000 1.117 82 T CA 0.483 62.712 62.100 0.215 0.000 1.034 82 T CB 0.680 69.803 68.868 0.424 0.000 0.968 82 T HN 0.469 nan 8.240 nan 0.000 0.526 83 G N -0.065 108.816 108.800 0.135 0.000 2.192 83 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.193 83 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.193 83 G C -0.121 174.796 174.900 0.027 0.000 0.999 83 G CA -0.531 44.588 45.100 0.031 0.000 0.659 83 G HN 0.514 nan 8.290 nan 0.000 0.503 84 Y N 0.963 121.304 120.300 0.067 0.000 2.385 84 Y HA 0.389 4.938 4.550 -0.000 0.000 0.346 84 Y C 1.083 177.018 175.900 0.058 0.000 1.270 84 Y CA 0.341 58.493 58.100 0.087 0.000 1.472 84 Y CB 0.422 38.961 38.460 0.132 0.000 1.354 84 Y HN 0.065 nan 8.280 nan 0.000 0.611 85 D N 2.133 122.655 120.400 0.204 0.000 2.671 85 D HA 0.112 4.752 4.640 -0.000 0.000 0.228 85 D C -1.142 175.235 176.300 0.127 0.000 1.102 85 D CA 0.428 54.500 54.000 0.120 0.000 1.044 85 D CB -0.858 39.989 40.800 0.077 0.000 1.113 85 D HN 0.360 nan 8.370 nan 0.000 0.480 86 L N 3.993 125.315 121.223 0.166 0.000 2.514 86 L HA 0.324 4.664 4.340 -0.000 0.000 0.257 86 L C -2.411 174.615 176.870 0.260 0.000 1.101 86 L CA -1.600 53.331 54.840 0.152 0.000 0.911 86 L CB 2.015 44.172 42.059 0.163 0.000 1.162 86 L HN 0.091 nan 8.230 nan 0.000 0.477 87 P HA 0.017 nan 4.420 nan 0.000 0.270 87 P C 1.112 178.441 177.300 0.048 0.000 1.223 87 P CA -0.294 62.913 63.100 0.178 0.000 0.785 87 P CB 1.570 33.311 31.700 0.068 0.000 0.923 88 L N 0.509 121.722 121.223 -0.017 0.000 2.081 88 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 88 L C 2.537 179.284 176.870 -0.205 0.000 1.080 88 L CA 1.890 56.580 54.840 -0.250 0.000 0.754 88 L CB -0.564 41.438 42.059 -0.095 0.000 0.893 88 L HN 0.466 nan 8.230 nan 0.000 0.433 89 E N 0.161 120.286 120.200 -0.125 0.000 2.130 89 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 89 E C 1.985 178.511 176.600 -0.124 0.000 0.998 89 E CA 1.408 57.728 56.400 -0.132 0.000 0.806 89 E CB 0.031 29.689 29.700 -0.071 0.000 0.738 89 E HN 0.345 nan 8.360 nan 0.000 0.459 90 E N -0.057 120.087 120.200 -0.093 0.000 2.107 90 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 90 E C 2.245 178.800 176.600 -0.075 0.000 0.982 90 E CA 0.714 57.065 56.400 -0.081 0.000 0.809 90 E CB -0.233 29.415 29.700 -0.087 0.000 0.756 90 E HN 0.396 nan 8.360 nan 0.000 0.459 91 L N 0.459 121.623 121.223 -0.099 0.000 2.131 91 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 91 L C 2.088 178.968 176.870 0.016 0.000 1.092 91 L CA 1.080 55.910 54.840 -0.017 0.000 0.759 91 L CB -0.376 41.674 42.059 -0.015 0.000 0.903 91 L HN 0.004 nan 8.230 nan 0.000 0.435 92 K N -0.472 119.779 120.400 -0.249 0.000 2.525 92 K HA 0.043 4.363 4.320 -0.000 0.000 0.192 92 K C 1.157 177.715 176.600 -0.070 0.000 1.029 92 K CA 0.270 56.324 56.287 -0.387 0.000 1.029 92 K CB 0.212 32.324 32.500 -0.646 0.000 0.814 92 K HN 0.094 nan 8.250 nan 0.000 0.503 93 S N 0.685 116.389 115.700 0.007 0.000 2.664 93 S HA 0.129 4.599 4.470 -0.000 0.000 0.245 93 S C -0.333 174.345 174.600 0.130 0.000 1.019 93 S CA -0.680 57.553 58.200 0.054 0.000 0.996 93 S CB -0.115 63.093 63.200 0.014 0.000 0.878 93 S HN 0.232 nan 8.310 nan 0.000 0.493 94 F N 3.855 123.821 119.950 0.027 0.000 2.623 94 F HA 0.094 4.621 4.527 -0.000 0.000 0.383 94 F C 1.232 177.081 175.800 0.081 0.000 1.077 94 F CA 0.198 58.236 58.000 0.063 0.000 1.268 94 F CB -0.131 38.948 39.000 0.131 0.000 1.053 94 F HN 0.252 nan 8.300 nan 0.000 0.571 95 R N 1.225 121.489 120.500 -0.392 0.000 3.953 95 R HA -0.216 4.123 4.340 -0.000 0.000 0.340 95 R C -0.482 175.755 176.300 -0.106 0.000 1.195 95 R CA 0.786 56.657 56.100 -0.382 0.000 0.929 95 R CB -1.363 28.551 30.300 -0.644 0.000 1.402 95 R HN 0.615 nan 8.270 nan 0.000 0.540 96 Q N -0.132 119.661 119.800 -0.011 0.000 2.226 96 Q HA 0.171 4.510 4.340 -0.000 0.000 0.256 96 Q C -0.062 176.013 176.000 0.124 0.000 0.962 96 Q CA -0.549 55.299 55.803 0.074 0.000 0.887 96 Q CB 0.596 29.385 28.738 0.085 0.000 1.282 96 Q HN 0.204 nan 8.270 nan 0.000 0.449 97 W N 1.799 123.099 121.300 0.000 0.000 2.385 97 W HA 0.082 4.742 4.660 -0.000 0.000 0.336 97 W C 0.694 177.229 176.519 0.026 0.000 1.351 97 W CA 2.063 59.414 57.345 0.010 0.000 1.295 97 W CB 0.129 29.593 29.460 0.006 0.000 1.239 97 W HN 0.905 nan 8.180 nan 0.000 0.565 98 G N 3.611 112.131 108.800 -0.467 0.000 2.168 98 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.263 98 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.263 98 G C 0.341 175.215 174.900 -0.044 0.000 0.977 98 G CA 0.567 45.492 45.100 -0.292 0.000 0.659 98 G HN 1.106 nan 8.290 nan 0.000 0.533 99 S N -0.958 114.740 115.700 -0.004 0.000 2.614 99 S HA 0.579 5.048 4.470 -0.000 0.000 0.265 99 S C 0.882 175.487 174.600 0.008 0.000 1.303 99 S CA 0.159 58.360 58.200 0.002 0.000 1.000 99 S CB 1.411 64.615 63.200 0.007 0.000 0.935 99 S HN 0.308 nan 8.310 nan 0.000 0.551 100 K N 0.634 120.952 120.400 -0.136 0.000 2.469 100 K HA 0.113 4.432 4.320 -0.000 0.000 0.201 100 K C 0.094 176.501 176.600 -0.321 0.000 1.028 100 K CA 0.229 56.321 56.287 -0.325 0.000 1.170 100 K CB -0.028 32.282 32.500 -0.316 0.000 0.874 100 K HN 0.829 nan 8.250 nan 0.000 0.507 101 T N -0.396 114.011 114.554 -0.245 0.000 3.504 101 T HA 0.235 4.585 4.350 -0.000 0.000 0.286 101 T C -2.619 172.106 174.700 0.042 0.000 1.530 101 T CA -2.037 59.777 62.100 -0.478 0.000 1.652 101 T CB 0.689 69.325 68.868 -0.386 0.000 0.895 101 T HN -0.126 nan 8.240 nan 0.000 0.674 102 P HA 0.186 nan 4.420 nan 0.000 0.272 102 P C 1.431 178.865 177.300 0.223 0.000 1.230 102 P CA -0.032 63.159 63.100 0.152 0.000 0.788 102 P CB 0.679 32.475 31.700 0.161 0.000 0.949 103 G N 0.995 109.789 108.800 -0.010 0.000 2.503 103 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.221 103 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.221 103 G C 0.085 174.913 174.900 -0.120 0.000 1.131 103 G CA 1.119 46.149 45.100 -0.117 0.000 0.756 103 G HN 0.653 nan 8.290 nan 0.000 0.572 104 H N -0.615 118.552 119.070 0.163 0.000 2.690 104 H HA 0.462 5.017 4.556 -0.000 0.000 0.368 104 H C -2.481 172.945 175.328 0.164 0.000 1.150 104 H CA -1.932 54.188 56.048 0.121 0.000 1.174 104 H CB 1.824 31.628 29.762 0.070 0.000 1.684 104 H HN -0.090 nan 8.280 nan 0.000 0.538 105 P HA -0.026 nan 4.420 nan 0.000 0.264 105 P C -0.781 176.642 177.300 0.206 0.000 1.183 105 P CA 0.430 63.662 63.100 0.220 0.000 0.763 105 P CB 0.548 32.308 31.700 0.100 0.000 0.807 106 E N 2.198 122.537 120.200 0.233 0.000 2.235 106 E HA 0.180 4.530 4.350 -0.000 0.000 0.252 106 E C -0.269 176.437 176.600 0.177 0.000 0.886 106 E CA -0.944 55.563 56.400 0.178 0.000 0.767 106 E CB 1.210 31.008 29.700 0.163 0.000 1.205 106 E HN 0.280 nan 8.360 nan 0.000 0.421 107 R N 1.382 121.958 120.500 0.126 0.000 2.570 107 R HA 0.044 4.383 4.340 -0.000 0.000 0.277 107 R C 0.760 177.128 176.300 0.113 0.000 1.039 107 R CA 1.625 57.791 56.100 0.109 0.000 1.065 107 R CB 0.302 30.649 30.300 0.078 0.000 0.964 107 R HN 0.866 nan 8.270 nan 0.000 0.428 108 G N 2.748 111.614 108.800 0.110 0.000 2.179 108 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 108 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 108 G C 0.525 175.513 174.900 0.147 0.000 0.977 108 G CA 0.784 45.946 45.100 0.104 0.000 0.641 108 G HN 0.823 nan 8.290 nan 0.000 0.533 109 H N -0.272 118.825 119.070 0.044 0.000 2.927 109 H HA 0.396 4.952 4.556 -0.000 0.000 0.255 109 H C 0.705 176.052 175.328 0.031 0.000 0.974 109 H CA 1.548 57.611 56.048 0.026 0.000 1.199 109 H CB 1.011 30.783 29.762 0.016 0.000 1.447 109 H HN 0.270 nan 8.280 nan 0.000 0.467 110 T N 2.874 117.433 114.554 0.008 0.000 2.848 110 T HA 0.372 4.722 4.350 -0.000 0.000 0.285 110 T C -2.808 171.930 174.700 0.064 0.000 0.995 110 T CA -1.481 60.604 62.100 -0.026 0.000 0.970 110 T CB 2.191 71.097 68.868 0.063 0.000 0.976 110 T HN 0.027 nan 8.240 nan 0.000 0.441 111 P HA 0.326 nan 4.420 nan 0.000 0.267 111 P C 1.036 178.442 177.300 0.176 0.000 1.205 111 P CA 0.712 63.912 63.100 0.167 0.000 0.765 111 P CB 0.420 32.252 31.700 0.220 0.000 0.828 112 G N 1.457 110.377 108.800 0.201 0.000 2.176 112 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.253 112 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.253 112 G C 0.026 174.986 174.900 0.100 0.000 0.979 112 G CA -0.228 44.934 45.100 0.104 0.000 0.641 112 G HN 0.522 nan 8.290 nan 0.000 0.530 113 V N 2.012 121.998 119.914 0.120 0.000 2.368 113 V HA 0.317 4.437 4.120 -0.000 0.000 0.266 113 V C 1.368 177.522 176.094 0.100 0.000 1.045 113 V CA -0.162 62.214 62.300 0.127 0.000 0.899 113 V CB 1.454 33.370 31.823 0.155 0.000 1.006 113 V HN 0.303 nan 8.190 nan 0.000 0.470 114 E N 3.461 123.710 120.200 0.083 0.000 2.112 114 E HA 0.027 4.376 4.350 -0.000 0.000 0.190 114 E C 0.225 176.846 176.600 0.036 0.000 0.979 114 E CA 0.856 57.285 56.400 0.048 0.000 0.814 114 E CB 0.472 30.191 29.700 0.031 0.000 0.762 114 E HN 0.505 nan 8.360 nan 0.000 0.460 115 V N 0.607 120.541 119.914 0.033 0.000 2.971 115 V HA 0.185 4.305 4.120 -0.000 0.000 0.309 115 V C -0.328 175.794 176.094 0.046 0.000 1.130 115 V CA -0.825 61.494 62.300 0.033 0.000 0.964 115 V CB 2.239 34.067 31.823 0.009 0.000 1.029 115 V HN -0.125 nan 8.190 nan 0.000 0.427 116 T N 3.676 118.264 114.554 0.055 0.000 2.737 116 T HA 0.509 4.859 4.350 -0.000 0.000 0.296 116 T C 0.279 175.009 174.700 0.051 0.000 0.922 116 T CA -0.003 62.137 62.100 0.066 0.000 1.079 116 T CB 0.493 69.399 68.868 0.063 0.000 0.892 116 T HN 1.016 nan 8.240 nan 0.000 0.514 117 T N 0.195 114.785 114.554 0.060 0.000 2.883 117 T HA 0.875 5.224 4.350 -0.000 0.000 0.284 117 T C 0.873 175.610 174.700 0.062 0.000 1.041 117 T CA -0.025 62.103 62.100 0.046 0.000 1.007 117 T CB 2.116 71.001 68.868 0.028 0.000 1.220 117 T HN 0.656 nan 8.240 nan 0.000 0.552 118 G N 0.267 109.091 108.800 0.040 0.000 4.020 118 G HA2 0.068 4.028 3.960 -0.000 0.000 0.195 118 G HA3 0.068 4.028 3.960 -0.000 0.000 0.195 118 G C -2.450 172.413 174.900 -0.062 0.000 1.819 118 G CA -0.214 44.856 45.100 -0.050 0.000 1.109 118 G HN 0.911 nan 8.290 nan 0.000 0.385 119 P HA 0.414 nan 4.420 nan 0.000 0.270 119 P C 0.472 177.770 177.300 -0.002 0.000 1.242 119 P CA 0.019 63.100 63.100 -0.032 0.000 0.768 119 P CB 0.626 32.315 31.700 -0.017 0.000 0.820 120 L N 2.434 123.659 121.223 0.003 0.000 2.506 120 L HA 0.162 4.501 4.340 -0.000 0.000 0.281 120 L C 1.900 178.757 176.870 -0.021 0.000 1.228 120 L CA 0.961 55.804 54.840 0.005 0.000 0.850 120 L CB -0.608 41.451 42.059 -0.001 0.000 1.110 120 L HN 0.772 nan 8.230 nan 0.000 0.496 121 G N 0.624 109.405 108.800 -0.031 0.000 2.299 121 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.237 121 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.237 121 G C 0.989 175.843 174.900 -0.076 0.000 1.027 121 G CA 0.177 45.236 45.100 -0.070 0.000 0.619 121 G HN 0.582 nan 8.290 nan 0.000 0.513 122 Q N 0.639 120.413 119.800 -0.044 0.000 2.079 122 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 122 Q C 2.751 178.745 176.000 -0.011 0.000 0.974 122 Q CA 2.136 57.924 55.803 -0.025 0.000 0.840 122 Q CB -0.922 27.824 28.738 0.013 0.000 0.898 122 Q HN 0.678 nan 8.270 nan 0.000 0.430 123 G N 1.473 110.269 108.800 -0.007 0.000 2.433 123 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.216 123 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.216 123 G C 1.496 176.392 174.900 -0.005 0.000 1.186 123 G CA 0.627 45.720 45.100 -0.012 0.000 0.779 123 G HN 0.383 nan 8.290 nan 0.000 0.543 124 I N 0.569 121.141 120.570 0.003 0.000 2.454 124 I HA -0.134 4.035 4.170 -0.000 0.000 0.254 124 I C 2.546 178.689 176.117 0.045 0.000 1.156 124 I CA 1.338 62.658 61.300 0.033 0.000 1.433 124 I CB 0.111 38.132 38.000 0.035 0.000 1.082 124 I HN 0.123 nan 8.210 nan 0.000 0.432 125 S N -0.055 115.648 115.700 0.005 0.000 2.388 125 S HA -0.108 4.362 4.470 -0.000 0.000 0.223 125 S C 1.794 176.414 174.600 0.033 0.000 1.034 125 S CA 1.598 59.799 58.200 0.001 0.000 0.963 125 S CB -0.192 62.964 63.200 -0.074 0.000 0.827 125 S HN 0.488 nan 8.310 nan 0.000 0.481 126 T N 2.634 117.204 114.554 0.026 0.000 2.833 126 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 126 T C 2.052 176.781 174.700 0.048 0.000 1.054 126 T CA 1.129 63.254 62.100 0.041 0.000 1.135 126 T CB -0.415 68.474 68.868 0.035 0.000 0.869 126 T HN 0.445 nan 8.240 nan 0.000 0.466 127 A N 0.861 123.707 122.820 0.043 0.000 2.070 127 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 127 A C 2.486 180.104 177.584 0.057 0.000 1.159 127 A CA 0.963 53.027 52.037 0.045 0.000 0.656 127 A CB -0.793 18.233 19.000 0.043 0.000 0.800 127 A HN 0.389 nan 8.150 nan 0.000 0.453 128 V N -0.384 119.581 119.914 0.086 0.000 2.515 128 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 128 V C 2.727 178.872 176.094 0.084 0.000 1.058 128 V CA 1.767 64.135 62.300 0.113 0.000 1.064 128 V CB -1.115 30.811 31.823 0.173 0.000 0.675 128 V HN 0.605 nan 8.190 nan 0.000 0.461 129 G N -0.307 108.537 108.800 0.073 0.000 2.408 129 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 129 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 129 G C 1.572 176.457 174.900 -0.024 0.000 1.150 129 G CA 0.643 45.755 45.100 0.021 0.000 0.776 129 G HN 0.452 nan 8.290 nan 0.000 0.542 130 L N 0.628 121.866 121.223 0.025 0.000 2.017 130 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 130 L C 3.397 180.257 176.870 -0.015 0.000 1.073 130 L CA 1.094 55.976 54.840 0.070 0.000 0.745 130 L CB -0.395 41.724 42.059 0.101 0.000 0.894 130 L HN 0.302 nan 8.230 nan 0.000 0.432 131 A N -0.272 122.517 122.820 -0.051 0.000 1.930 131 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 131 A C 2.302 179.763 177.584 -0.205 0.000 1.175 131 A CA 1.237 53.199 52.037 -0.125 0.000 0.627 131 A CB -0.651 18.288 19.000 -0.102 0.000 0.815 131 A HN 0.378 nan 8.150 nan 0.000 0.443 132 L N -0.717 120.377 121.223 -0.215 0.000 2.046 132 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 132 L C 2.870 179.476 176.870 -0.441 0.000 1.077 132 L CA 1.495 56.100 54.840 -0.392 0.000 0.747 132 L CB -0.510 41.237 42.059 -0.519 0.000 0.896 132 L HN 0.441 nan 8.230 nan 0.000 0.432 133 A N -0.568 122.028 122.820 -0.373 0.000 1.902 133 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 133 A C 2.227 179.527 177.584 -0.473 0.000 1.181 133 A CA 1.759 53.574 52.037 -0.370 0.000 0.623 133 A CB -0.583 18.198 19.000 -0.364 0.000 0.818 133 A HN 0.513 nan 8.150 nan 0.000 0.443 134 E N -0.028 119.826 120.200 -0.576 0.000 2.047 134 E HA -0.212 4.137 4.350 -0.000 0.000 0.191 134 E C 2.279 178.681 176.600 -0.329 0.000 0.987 134 E CA 0.975 57.076 56.400 -0.498 0.000 0.799 134 E CB -0.334 29.040 29.700 -0.544 0.000 0.752 134 E HN 0.439 nan 8.360 nan 0.000 0.449 135 R N 1.142 121.467 120.500 -0.291 0.000 2.081 135 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 135 R C 2.188 178.415 176.300 -0.122 0.000 1.131 135 R CA 1.487 57.466 56.100 -0.202 0.000 0.960 135 R CB -0.166 30.029 30.300 -0.175 0.000 0.856 135 R HN 0.122 nan 8.270 nan 0.000 0.436 136 K N 0.035 120.349 120.400 -0.143 0.000 2.103 136 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 136 K C 2.075 178.739 176.600 0.105 0.000 1.052 136 K CA 0.784 57.041 56.287 -0.050 0.000 0.945 136 K CB -0.180 32.178 32.500 -0.236 0.000 0.722 136 K HN 0.033 nan 8.250 nan 0.000 0.443 137 L N 1.073 122.381 121.223 0.142 0.000 2.093 137 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 137 L C 2.164 179.140 176.870 0.177 0.000 1.085 137 L CA 1.446 56.404 54.840 0.197 0.000 0.755 137 L CB -0.512 41.589 42.059 0.068 0.000 0.904 137 L HN 0.099 nan 8.230 nan 0.000 0.435 138 A N -0.797 122.043 122.820 0.033 0.000 1.873 138 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 138 A C 2.447 180.040 177.584 0.016 0.000 1.186 138 A CA 1.608 53.651 52.037 0.009 0.000 0.616 138 A CB -1.062 17.888 19.000 -0.084 0.000 0.823 138 A HN 0.475 nan 8.150 nan 0.000 0.442 139 A N -0.322 122.493 122.820 -0.009 0.000 1.933 139 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 139 A C 1.953 179.497 177.584 -0.066 0.000 1.175 139 A CA 1.706 53.724 52.037 -0.032 0.000 0.628 139 A CB -0.490 18.493 19.000 -0.028 0.000 0.814 139 A HN 0.641 nan 8.150 nan 0.000 0.444 140 E N -1.743 118.408 120.200 -0.081 0.000 2.072 140 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 140 E C 1.304 177.597 176.600 -0.512 0.000 0.982 140 E CA 1.211 57.423 56.400 -0.314 0.000 0.803 140 E CB -0.120 29.322 29.700 -0.429 0.000 0.755 140 E HN 0.746 nan 8.360 nan 0.000 0.453 141 F N 0.225 120.169 119.950 -0.011 0.000 2.653 141 F HA 0.151 4.678 4.527 -0.000 0.000 0.288 141 F C 0.757 176.558 175.800 0.001 0.000 1.121 141 F CA -0.476 57.535 58.000 0.018 0.000 1.384 141 F CB 0.125 39.124 39.000 -0.001 0.000 1.115 141 F HN -0.243 nan 8.300 nan 0.000 0.599 142 N N 1.955 120.726 118.700 0.118 0.000 2.441 142 N HA 0.181 4.921 4.740 -0.000 0.000 0.251 142 N C 0.007 175.559 175.510 0.070 0.000 1.242 142 N CA 0.386 53.484 53.050 0.080 0.000 0.898 142 N CB 0.451 38.965 38.487 0.046 0.000 1.100 142 N HN -0.016 nan 8.380 nan 0.000 0.443 143 R N 0.692 121.276 120.500 0.141 0.000 2.764 143 R HA 0.459 4.799 4.340 -0.000 0.000 0.270 143 R C -2.698 173.748 176.300 0.245 0.000 1.014 143 R CA -1.838 54.335 56.100 0.121 0.000 0.904 143 R CB 0.437 30.696 30.300 -0.069 0.000 1.236 143 R HN 0.313 nan 8.270 nan 0.000 0.466 144 P HA -0.011 nan 4.420 nan 0.000 0.260 144 P C 0.602 178.039 177.300 0.228 0.000 1.172 144 P CA 1.373 64.591 63.100 0.196 0.000 0.760 144 P CB 0.228 32.034 31.700 0.176 0.000 0.773 145 G N 2.389 111.237 108.800 0.080 0.000 2.166 145 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 145 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 145 G C 0.118 174.839 174.900 -0.297 0.000 0.986 145 G CA -0.130 44.918 45.100 -0.087 0.000 0.683 145 G HN 0.742 nan 8.290 nan 0.000 0.527 146 H N -0.772 118.403 119.070 0.175 0.000 2.607 146 H HA 0.384 4.940 4.556 -0.000 0.000 0.248 146 H C -0.567 174.820 175.328 0.097 0.000 1.355 146 H CA -0.403 55.767 56.048 0.205 0.000 1.524 146 H CB 1.117 31.141 29.762 0.437 0.000 1.563 146 H HN 0.116 nan 8.280 nan 0.000 0.509 147 V N 3.800 123.788 119.914 0.125 0.000 2.258 147 V HA -0.003 4.117 4.120 -0.000 0.000 0.258 147 V C 1.643 177.789 176.094 0.087 0.000 1.121 147 V CA -0.219 62.132 62.300 0.085 0.000 0.942 147 V CB 0.588 32.458 31.823 0.078 0.000 1.170 147 V HN 0.559 nan 8.190 nan 0.000 0.487 148 V N 2.597 122.513 119.914 0.002 0.000 3.608 148 V HA 0.281 4.401 4.120 -0.000 0.000 0.269 148 V C 0.503 176.744 176.094 0.244 0.000 1.245 148 V CA 0.250 62.576 62.300 0.043 0.000 1.138 148 V CB 0.520 32.128 31.823 -0.359 0.000 0.841 148 V HN 0.417 nan 8.190 nan 0.000 0.451 149 V N 2.075 122.057 119.914 0.113 0.000 2.380 149 V HA 0.676 4.796 4.120 -0.000 0.000 0.286 149 V C -1.302 174.768 176.094 -0.039 0.000 1.015 149 V CA -0.067 62.276 62.300 0.071 0.000 0.834 149 V CB 1.229 33.068 31.823 0.027 0.000 1.009 149 V HN 0.514 nan 8.190 nan 0.000 0.428 150 D N 3.948 124.320 120.400 -0.047 0.000 2.445 150 D HA 0.328 4.968 4.640 -0.000 0.000 0.236 150 D C -0.832 175.376 176.300 -0.154 0.000 1.315 150 D CA -0.202 53.705 54.000 -0.155 0.000 0.924 150 D CB 0.543 41.320 40.800 -0.038 0.000 1.447 150 D HN 0.780 nan 8.370 nan 0.000 0.532 151 H N 0.325 119.209 119.070 -0.310 0.000 3.037 151 H HA 0.408 4.964 4.556 -0.000 0.000 0.355 151 H C -1.255 173.823 175.328 -0.417 0.000 1.263 151 H CA -0.711 55.159 56.048 -0.297 0.000 1.129 151 H CB 0.406 29.983 29.762 -0.308 0.000 1.861 151 H HN 0.051 nan 8.280 nan 0.000 0.546 152 Y N 0.147 120.384 120.300 -0.105 0.000 2.488 152 Y HA 0.430 4.980 4.550 -0.000 0.000 0.325 152 Y C 0.586 176.294 175.900 -0.320 0.000 1.204 152 Y CA -0.448 57.464 58.100 -0.314 0.000 1.229 152 Y CB 1.858 39.983 38.460 -0.557 0.000 1.274 152 Y HN 0.566 nan 8.280 nan 0.000 0.493 153 T N 1.797 116.194 114.554 -0.262 0.000 2.815 153 T HA 0.444 4.794 4.350 -0.000 0.000 0.289 153 T C -1.471 173.089 174.700 -0.233 0.000 1.000 153 T CA -0.674 61.335 62.100 -0.152 0.000 0.958 153 T CB -0.137 68.689 68.868 -0.069 0.000 0.944 153 T HN 0.255 nan 8.240 nan 0.000 0.442 154 Y N 1.367 121.769 120.300 0.169 0.000 2.409 154 Y HA 0.702 5.252 4.550 -0.000 0.000 0.339 154 Y C -0.015 175.997 175.900 0.187 0.000 1.033 154 Y CA -1.070 57.187 58.100 0.261 0.000 1.094 154 Y CB 1.607 40.333 38.460 0.443 0.000 1.210 154 Y HN 0.320 nan 8.280 nan 0.000 0.456 155 V N 3.923 124.062 119.914 0.374 0.000 2.841 155 V HA 0.403 4.523 4.120 -0.000 0.000 0.310 155 V C -1.392 174.900 176.094 0.329 0.000 1.090 155 V CA -0.852 61.540 62.300 0.152 0.000 0.930 155 V CB 2.321 34.204 31.823 0.100 0.000 1.014 155 V HN 0.504 nan 8.190 nan 0.000 0.425 156 L N 4.127 125.459 121.223 0.181 0.000 2.298 156 L HA 0.949 5.289 4.340 -0.000 0.000 0.284 156 L C -0.019 176.958 176.870 0.178 0.000 1.013 156 L CA -0.213 54.812 54.840 0.308 0.000 0.824 156 L CB 0.812 43.093 42.059 0.368 0.000 1.221 156 L HN 0.865 nan 8.230 nan 0.000 0.418 157 A N 3.299 126.257 122.820 0.230 0.000 2.384 157 A HA 0.905 5.225 4.320 -0.000 0.000 0.312 157 A C -0.444 177.328 177.584 0.314 0.000 1.113 157 A CA -0.063 52.092 52.037 0.198 0.000 0.779 157 A CB 1.501 20.577 19.000 0.126 0.000 1.307 157 A HN 0.853 nan 8.150 nan 0.000 0.436 158 S N -0.140 115.726 115.700 0.277 0.000 2.747 158 S HA 0.428 4.898 4.470 -0.000 0.000 0.300 158 S C 0.012 174.801 174.600 0.314 0.000 1.121 158 S CA -0.341 58.075 58.200 0.360 0.000 0.995 158 S CB 0.979 64.379 63.200 0.334 0.000 1.113 158 S HN 0.549 nan 8.310 nan 0.000 0.547 159 D N 1.293 121.935 120.400 0.402 0.000 2.133 159 D HA -0.065 4.575 4.640 -0.000 0.000 0.195 159 D C 2.065 178.268 176.300 -0.162 0.000 0.997 159 D CA 1.907 56.053 54.000 0.244 0.000 0.840 159 D CB -1.086 39.898 40.800 0.306 0.000 0.947 159 D HN 0.781 nan 8.370 nan 0.000 0.452 160 G N 1.127 109.876 108.800 -0.085 0.000 2.440 160 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 160 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 160 G C 1.363 176.184 174.900 -0.133 0.000 1.154 160 G CA 0.929 45.943 45.100 -0.143 0.000 0.767 160 G HN 0.189 nan 8.290 nan 0.000 0.552 161 D N 0.366 120.731 120.400 -0.058 0.000 2.104 161 D HA -0.044 4.596 4.640 -0.000 0.000 0.194 161 D C 1.725 177.955 176.300 -0.117 0.000 0.994 161 D CA 0.460 54.425 54.000 -0.057 0.000 0.830 161 D CB -0.068 40.730 40.800 -0.004 0.000 0.959 161 D HN 0.243 nan 8.370 nan 0.000 0.452 165 G N 1.256 110.027 108.800 -0.047 0.000 2.442 165 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 165 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 165 G C 1.310 176.163 174.900 -0.079 0.000 1.141 165 G CA 1.083 46.161 45.100 -0.036 0.000 0.763 165 G HN 0.323 nan 8.290 nan 0.000 0.554 166 V N 1.761 121.594 119.914 -0.135 0.000 2.392 166 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 166 V C 3.174 179.139 176.094 -0.215 0.000 1.059 166 V CA 2.997 65.134 62.300 -0.271 0.000 1.051 166 V CB -0.438 30.941 31.823 -0.739 0.000 0.658 166 V HN 0.578 nan 8.190 nan 0.000 0.455 167 S N -0.034 115.564 115.700 -0.171 0.000 2.383 167 S HA -0.041 4.428 4.470 -0.000 0.000 0.227 167 S C 2.083 176.557 174.600 -0.209 0.000 1.026 167 S CA 1.329 59.446 58.200 -0.137 0.000 0.981 167 S CB -0.972 62.178 63.200 -0.083 0.000 0.818 167 S HN 0.678 nan 8.310 nan 0.000 0.472 168 G N 1.363 110.040 108.800 -0.206 0.000 2.402 168 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 168 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 168 G C 1.394 176.012 174.900 -0.470 0.000 1.162 168 G CA 0.672 45.586 45.100 -0.310 0.000 0.777 168 G HN 0.625 nan 8.290 nan 0.000 0.539 169 E N 0.509 120.546 120.200 -0.271 0.000 2.051 169 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 169 E C 2.925 179.360 176.600 -0.275 0.000 0.991 169 E CA 0.885 57.144 56.400 -0.236 0.000 0.799 169 E CB -0.179 29.442 29.700 -0.131 0.000 0.748 169 E HN 0.404 nan 8.360 nan 0.000 0.449 170 A N 1.363 124.049 122.820 -0.223 0.000 1.930 170 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 170 A C 2.369 179.857 177.584 -0.160 0.000 1.175 170 A CA 1.515 53.469 52.037 -0.139 0.000 0.627 170 A CB -0.551 18.417 19.000 -0.053 0.000 0.815 170 A HN 0.288 nan 8.150 nan 0.000 0.443 171 A N -0.732 121.880 122.820 -0.347 0.000 1.877 171 A HA -0.131 4.188 4.320 -0.000 0.000 0.216 171 A C 2.479 179.765 177.584 -0.497 0.000 1.186 171 A CA 2.194 53.952 52.037 -0.465 0.000 0.620 171 A CB -1.065 17.152 19.000 -1.304 0.000 0.822 171 A HN 0.531 nan 8.150 nan 0.000 0.443 172 S N -0.565 114.597 115.700 -0.896 0.000 2.359 172 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 172 S C 1.945 176.380 174.600 -0.275 0.000 1.035 172 S CA 1.624 59.512 58.200 -0.521 0.000 1.018 172 S CB -0.477 62.487 63.200 -0.393 0.000 0.876 172 S HN 0.485 nan 8.310 nan 0.000 0.448 173 L N 0.855 121.848 121.223 -0.385 0.000 2.056 173 L HA -0.066 4.273 4.340 -0.000 0.000 0.207 173 L C 2.895 179.462 176.870 -0.505 0.000 1.078 173 L CA 1.187 55.622 54.840 -0.675 0.000 0.749 173 L CB -0.670 40.832 42.059 -0.929 0.000 0.901 173 L HN 0.413 nan 8.230 nan 0.000 0.433 174 A N 0.137 122.893 122.820 -0.107 0.000 1.940 174 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 174 A C 2.357 179.943 177.584 0.003 0.000 1.176 174 A CA 1.852 53.935 52.037 0.077 0.000 0.631 174 A CB -1.177 17.932 19.000 0.181 0.000 0.814 174 A HN 0.464 nan 8.150 nan 0.000 0.446 175 G N -1.554 107.316 108.800 0.117 0.000 2.394 175 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 175 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 175 G C 1.472 176.412 174.900 0.067 0.000 1.165 175 G CA 1.271 46.430 45.100 0.098 0.000 0.784 175 G HN 0.744 nan 8.290 nan 0.000 0.535 176 H N -0.727 118.298 119.070 -0.075 0.000 2.352 176 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 176 H C 1.814 177.165 175.328 0.039 0.000 1.097 176 H CA 1.634 57.618 56.048 -0.106 0.000 1.311 176 H CB -0.144 29.434 29.762 -0.306 0.000 1.377 176 H HN 0.395 nan 8.280 nan 0.000 0.504 177 W N 0.626 121.894 121.300 -0.053 0.000 3.180 177 W HA 0.350 5.010 4.660 -0.000 0.000 0.254 177 W C 1.154 177.626 176.519 -0.079 0.000 1.318 177 W CA 0.917 58.234 57.345 -0.047 0.000 1.608 177 W CB -0.833 28.714 29.460 0.145 0.000 1.124 177 W HN 0.490 nan 8.180 nan 0.000 0.694 178 G N 1.773 110.618 108.800 0.076 0.000 2.338 178 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.296 178 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.296 178 G C -0.018 174.855 174.900 -0.045 0.000 1.040 178 G CA -0.318 44.768 45.100 -0.023 0.000 1.004 178 G HN 0.220 nan 8.290 nan 0.000 0.509 179 L N 1.489 122.666 121.223 -0.076 0.000 2.415 179 L HA 0.189 4.529 4.340 -0.000 0.000 0.269 179 L C 2.052 178.796 176.870 -0.211 0.000 1.244 179 L CA 0.216 54.981 54.840 -0.124 0.000 1.113 179 L CB 0.260 42.254 42.059 -0.107 0.000 1.352 179 L HN 0.495 nan 8.230 nan 0.000 0.433 180 S N 0.695 116.299 115.700 -0.160 0.000 2.469 180 S HA -0.137 4.332 4.470 -0.000 0.000 0.238 180 S C 1.323 175.855 174.600 -0.113 0.000 0.998 180 S CA 0.677 58.795 58.200 -0.137 0.000 0.957 180 S CB -0.107 63.040 63.200 -0.088 0.000 0.764 180 S HN 0.626 nan 8.310 nan 0.000 0.514 181 K N 0.380 120.681 120.400 -0.165 0.000 2.397 181 K HA 0.346 4.666 4.320 -0.000 0.000 0.202 181 K C -0.445 176.075 176.600 -0.133 0.000 1.022 181 K CA -0.312 55.887 56.287 -0.147 0.000 1.141 181 K CB 0.240 32.453 32.500 -0.477 0.000 0.857 181 K HN 0.298 nan 8.250 nan 0.000 0.514 182 L N 1.750 122.863 121.223 -0.185 0.000 2.265 182 L HA 0.397 4.737 4.340 -0.000 0.000 0.288 182 L C -0.914 175.849 176.870 -0.178 0.000 1.058 182 L CA -0.242 54.484 54.840 -0.191 0.000 0.809 182 L CB 0.521 42.441 42.059 -0.231 0.000 1.179 182 L HN 0.023 nan 8.230 nan 0.000 0.429 183 I N 6.149 126.640 120.570 -0.132 0.000 2.468 183 I HA 0.370 4.540 4.170 -0.000 0.000 0.285 183 I C -0.966 175.096 176.117 -0.091 0.000 1.039 183 I CA -0.747 60.487 61.300 -0.110 0.000 1.074 183 I CB 1.931 39.894 38.000 -0.062 0.000 1.228 183 I HN 0.249 nan 8.210 nan 0.000 0.436 184 V N 6.520 126.387 119.914 -0.079 0.000 2.459 184 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 184 V C -0.565 175.405 176.094 -0.207 0.000 1.029 184 V CA -0.522 61.770 62.300 -0.014 0.000 0.874 184 V CB 1.692 33.621 31.823 0.177 0.000 0.985 184 V HN 0.359 nan 8.190 nan 0.000 0.438 185 F N 3.450 123.533 119.950 0.222 0.000 2.427 185 F HA 0.464 4.991 4.527 -0.000 0.000 0.346 185 F C -0.344 175.600 175.800 0.240 0.000 1.120 185 F CA -0.387 57.733 58.000 0.201 0.000 1.033 185 F CB 1.301 40.404 39.000 0.172 0.000 1.126 185 F HN 0.604 nan 8.300 nan 0.000 0.462 186 W N 5.508 126.898 121.300 0.151 0.000 2.429 186 W HA 0.339 4.999 4.660 -0.000 0.000 0.314 186 W C -0.668 175.910 176.519 0.098 0.000 1.062 186 W CA -1.539 55.857 57.345 0.084 0.000 1.211 186 W CB 0.931 30.388 29.460 -0.005 0.000 1.305 186 W HN 0.397 nan 8.180 nan 0.000 0.476 187 D N 4.559 124.988 120.400 0.047 0.000 2.435 187 D HA -0.008 4.632 4.640 -0.000 0.000 0.230 187 D C -0.575 175.382 176.300 -0.571 0.000 1.215 187 D CA 0.187 54.084 54.000 -0.170 0.000 0.947 187 D CB 0.066 40.887 40.800 0.035 0.000 1.048 187 D HN 0.306 nan 8.370 nan 0.000 0.512 188 D N 2.742 122.580 120.400 -0.937 0.000 2.558 188 D HA 0.008 4.648 4.640 -0.000 0.000 0.221 188 D C 0.519 176.546 176.300 -0.456 0.000 1.143 188 D CA -0.362 52.980 54.000 -1.097 0.000 1.010 188 D CB -0.394 39.580 40.800 -1.377 0.000 1.068 188 D HN 0.371 nan 8.370 nan 0.000 0.511 189 N N 1.412 119.974 118.700 -0.229 0.000 2.230 189 N HA -0.019 4.721 4.740 -0.000 0.000 0.202 189 N C 0.303 175.800 175.510 -0.021 0.000 1.119 189 N CA -0.347 52.640 53.050 -0.105 0.000 0.851 189 N CB 0.216 38.688 38.487 -0.025 0.000 0.990 189 N HN 0.049 nan 8.380 nan 0.000 0.497 190 R N -0.854 119.647 120.500 0.003 0.000 3.946 190 R HA -0.142 4.198 4.340 -0.000 0.000 0.329 190 R C -0.703 175.647 176.300 0.084 0.000 1.209 190 R CA 0.572 56.711 56.100 0.065 0.000 0.909 190 R CB -2.530 27.791 30.300 0.034 0.000 1.355 190 R HN 0.387 nan 8.270 nan 0.000 0.539 191 I N 0.366 120.985 120.570 0.082 0.000 2.509 191 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 191 I C 0.684 176.817 176.117 0.028 0.000 1.020 191 I CA -0.520 60.816 61.300 0.060 0.000 1.088 191 I CB 2.235 40.274 38.000 0.065 0.000 1.267 191 I HN -0.084 nan 8.210 nan 0.000 0.430 192 S N 5.028 120.716 115.700 -0.019 0.000 2.751 192 S HA 0.590 5.060 4.470 -0.000 0.000 0.310 192 S C 1.398 175.885 174.600 -0.187 0.000 1.128 192 S CA -0.637 57.502 58.200 -0.103 0.000 0.931 192 S CB 2.162 65.334 63.200 -0.046 0.000 1.177 192 S HN 0.464 nan 8.310 nan 0.000 0.530 193 I N 1.135 121.544 120.570 -0.267 0.000 2.252 193 I HA -0.155 4.014 4.170 -0.000 0.000 0.245 193 I C 1.031 177.094 176.117 -0.091 0.000 1.102 193 I CA 1.312 62.472 61.300 -0.234 0.000 1.385 193 I CB -0.224 37.663 38.000 -0.190 0.000 1.064 193 I HN 0.531 nan 8.210 nan 0.000 0.414 194 D N 0.609 120.971 120.400 -0.063 0.000 2.363 194 D HA 0.145 4.784 4.640 -0.000 0.000 0.220 194 D C 0.920 177.214 176.300 -0.012 0.000 0.994 194 D CA 0.933 54.918 54.000 -0.026 0.000 0.890 194 D CB 0.279 41.069 40.800 -0.017 0.000 0.906 194 D HN 0.520 nan 8.370 nan 0.000 0.530 195 G N -0.558 108.233 108.800 -0.015 0.000 2.255 195 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 195 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 195 G C -2.629 172.280 174.900 0.016 0.000 1.307 195 G CA -1.103 43.999 45.100 0.004 0.000 1.162 195 G HN -0.105 nan 8.290 nan 0.000 0.494 196 P HA 0.260 nan 4.420 nan 0.000 0.265 196 P C 0.964 178.301 177.300 0.061 0.000 1.193 196 P CA 0.752 63.878 63.100 0.044 0.000 0.765 196 P CB 0.642 32.366 31.700 0.040 0.000 0.823 197 T N 0.936 115.545 114.554 0.092 0.000 2.881 197 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 197 T C 1.023 175.820 174.700 0.162 0.000 1.068 197 T CA 1.799 63.989 62.100 0.149 0.000 1.131 197 T CB -0.787 68.225 68.868 0.240 0.000 0.871 197 T HN 0.627 nan 8.240 nan 0.000 0.479 198 D N 1.124 121.590 120.400 0.110 0.000 2.392 198 D HA -0.036 4.604 4.640 -0.000 0.000 0.228 198 D C 1.610 177.953 176.300 0.073 0.000 1.003 198 D CA 0.293 54.343 54.000 0.084 0.000 0.917 198 D CB -0.790 40.039 40.800 0.048 0.000 0.890 198 D HN 0.351 nan 8.370 nan 0.000 0.532 199 L N -0.665 120.602 121.223 0.073 0.000 2.291 199 L HA 0.142 4.482 4.340 -0.000 0.000 0.214 199 L C 1.902 178.809 176.870 0.063 0.000 1.120 199 L CA 1.234 56.107 54.840 0.054 0.000 0.799 199 L CB -0.016 42.066 42.059 0.040 0.000 0.925 199 L HN 0.282 nan 8.230 nan 0.000 0.446 200 A N -2.437 120.443 122.820 0.100 0.000 2.736 200 A HA 0.192 4.512 4.320 -0.000 0.000 0.222 200 A C -0.250 177.464 177.584 0.217 0.000 1.267 200 A CA -0.265 51.838 52.037 0.110 0.000 1.026 200 A CB 0.470 19.509 19.000 0.065 0.000 1.281 200 A HN 0.108 nan 8.150 nan 0.000 0.577 201 F N 1.874 121.836 119.950 0.019 0.000 2.610 201 F HA 0.504 5.031 4.527 -0.000 0.000 0.355 201 F C 0.663 176.486 175.800 0.038 0.000 1.140 201 F CA 0.044 58.059 58.000 0.025 0.000 1.037 201 F CB 1.843 40.867 39.000 0.040 0.000 1.287 201 F HN 0.034 nan 8.300 nan 0.000 0.457 202 T N 0.038 114.520 114.554 -0.120 0.000 3.130 202 T HA 0.171 4.521 4.350 -0.000 0.000 0.288 202 T C 0.208 174.772 174.700 -0.227 0.000 0.936 202 T CA -0.236 61.762 62.100 -0.170 0.000 0.897 202 T CB -0.403 68.433 68.868 -0.053 0.000 1.178 202 T HN 0.562 nan 8.240 nan 0.000 0.543 203 E N 1.299 121.316 120.200 -0.305 0.000 2.425 203 E HA 0.089 4.439 4.350 -0.000 0.000 0.258 203 E C -0.586 175.867 176.600 -0.245 0.000 1.151 203 E CA -0.595 55.671 56.400 -0.223 0.000 0.958 203 E CB 0.342 29.944 29.700 -0.163 0.000 0.968 203 E HN 0.034 nan 8.360 nan 0.000 0.451 204 D N 1.962 122.272 120.400 -0.148 0.000 2.517 204 D HA 0.045 4.685 4.640 -0.000 0.000 0.220 204 D C 0.885 177.120 176.300 -0.108 0.000 1.158 204 D CA -0.276 53.660 54.000 -0.107 0.000 0.992 204 D CB 0.682 41.441 40.800 -0.068 0.000 1.058 204 D HN 0.375 nan 8.370 nan 0.000 0.516 205 V N 3.904 123.726 119.914 -0.153 0.000 2.250 205 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 205 V C 2.555 178.627 176.094 -0.038 0.000 1.060 205 V CA 1.514 63.722 62.300 -0.154 0.000 1.030 205 V CB -0.445 31.135 31.823 -0.405 0.000 0.643 205 V HN 0.592 nan 8.190 nan 0.000 0.445 206 L N -0.217 121.006 121.223 0.001 0.000 2.141 206 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 206 L C 2.710 179.607 176.870 0.044 0.000 1.094 206 L CA 1.286 56.155 54.840 0.049 0.000 0.763 206 L CB -0.830 41.279 42.059 0.083 0.000 0.908 206 L HN 0.372 nan 8.230 nan 0.000 0.437 207 A N 0.516 123.335 122.820 -0.003 0.000 1.930 207 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 207 A C 2.442 179.967 177.584 -0.098 0.000 1.175 207 A CA 1.708 53.725 52.037 -0.034 0.000 0.627 207 A CB -0.524 18.448 19.000 -0.047 0.000 0.815 207 A HN 0.371 nan 8.150 nan 0.000 0.443 208 R N -2.076 118.342 120.500 -0.137 0.000 2.075 208 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 208 R C 1.779 177.766 176.300 -0.523 0.000 1.126 208 R CA 1.716 57.614 56.100 -0.338 0.000 0.963 208 R CB -0.451 29.667 30.300 -0.303 0.000 0.858 208 R HN 0.514 nan 8.270 nan 0.000 0.435 209 Y N 0.454 120.563 120.300 -0.318 0.000 2.352 209 Y HA -0.017 4.533 4.550 -0.000 0.000 0.292 209 Y C 2.313 178.180 175.900 -0.056 0.000 1.136 209 Y CA 1.276 59.243 58.100 -0.222 0.000 1.227 209 Y CB 0.066 38.379 38.460 -0.245 0.000 0.991 209 Y HN 0.033 nan 8.280 nan 0.000 0.545 210 R N -0.719 119.821 120.500 0.067 0.000 2.115 210 R HA -0.090 4.249 4.340 -0.000 0.000 0.230 210 R C 2.422 178.738 176.300 0.026 0.000 1.111 210 R CA 0.939 57.096 56.100 0.094 0.000 0.976 210 R CB -0.445 29.890 30.300 0.058 0.000 0.870 210 R HN 0.277 nan 8.270 nan 0.000 0.445 211 A N 0.379 123.127 122.820 -0.120 0.000 1.972 211 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 211 A C 1.440 178.973 177.584 -0.086 0.000 1.169 211 A CA 1.090 53.033 52.037 -0.156 0.000 0.635 211 A CB -0.490 18.336 19.000 -0.291 0.000 0.810 211 A HN 0.276 nan 8.150 nan 0.000 0.446 212 Y N -0.730 119.529 120.300 -0.068 0.000 2.571 212 Y HA 0.244 4.794 4.550 -0.000 0.000 0.294 212 Y C 1.969 177.966 175.900 0.162 0.000 1.141 212 Y CA 0.276 58.355 58.100 -0.034 0.000 1.308 212 Y CB -0.484 37.840 38.460 -0.226 0.000 1.002 212 Y HN 0.477 nan 8.280 nan 0.000 0.551 213 G N -2.668 106.323 108.800 0.319 0.000 2.134 213 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.209 213 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.209 213 G C -0.255 174.853 174.900 0.347 0.000 0.993 213 G CA -0.426 44.835 45.100 0.268 0.000 0.669 213 G HN 0.161 nan 8.290 nan 0.000 0.519 214 W N 0.400 121.772 121.300 0.120 0.000 2.390 214 W HA 0.715 5.374 4.660 -0.000 0.000 0.362 214 W C 0.639 177.221 176.519 0.106 0.000 1.206 214 W CA -0.793 56.633 57.345 0.136 0.000 1.355 214 W CB 0.641 30.248 29.460 0.246 0.000 1.278 214 W HN 0.214 nan 8.180 nan 0.000 0.653 215 Q N 1.064 121.064 119.800 0.335 0.000 2.230 215 Q HA 0.495 4.835 4.340 -0.000 0.000 0.253 215 Q C -0.522 175.623 176.000 0.243 0.000 0.919 215 Q CA -0.287 55.641 55.803 0.208 0.000 0.908 215 Q CB 1.309 30.118 28.738 0.118 0.000 1.245 215 Q HN 0.545 nan 8.270 nan 0.000 0.437 216 T N 1.595 116.253 114.554 0.173 0.000 2.863 216 T HA 0.722 5.072 4.350 -0.000 0.000 0.285 216 T C -0.364 174.400 174.700 0.106 0.000 1.009 216 T CA -0.765 61.423 62.100 0.147 0.000 0.989 216 T CB 1.038 69.985 68.868 0.131 0.000 1.004 216 T HN 0.543 nan 8.240 nan 0.000 0.455 217 L N 1.262 122.544 121.223 0.098 0.000 2.359 217 L HA 0.747 5.087 4.340 -0.000 0.000 0.256 217 L C -0.232 176.688 176.870 0.083 0.000 1.026 217 L CA -1.342 53.547 54.840 0.081 0.000 0.828 217 L CB 2.582 44.686 42.059 0.075 0.000 1.406 217 L HN 0.613 nan 8.230 nan 0.000 0.413 218 R N 0.343 120.883 120.500 0.067 0.000 2.621 218 R HA 0.713 5.053 4.340 -0.000 0.000 0.284 218 R C -1.662 174.661 176.300 0.039 0.000 0.998 218 R CA -0.761 55.371 56.100 0.052 0.000 0.895 218 R CB 2.778 33.101 30.300 0.038 0.000 1.195 218 R HN 0.226 nan 8.270 nan 0.000 0.450 219 V N 2.733 122.661 119.914 0.024 0.000 2.380 219 V HA 0.137 4.257 4.120 -0.000 0.000 0.286 219 V C 0.537 176.614 176.094 -0.028 0.000 1.015 219 V CA -0.504 61.803 62.300 0.012 0.000 0.834 219 V CB 1.377 33.221 31.823 0.034 0.000 1.009 219 V HN 0.857 nan 8.190 nan 0.000 0.428 220 E N 1.911 122.094 120.200 -0.027 0.000 2.409 220 E HA -0.071 4.279 4.350 -0.000 0.000 0.198 220 E C 0.155 176.715 176.600 -0.066 0.000 1.024 220 E CA 0.661 57.033 56.400 -0.046 0.000 0.861 220 E CB 0.340 30.026 29.700 -0.024 0.000 0.788 220 E HN 0.650 nan 8.360 nan 0.000 0.521 221 D N -0.424 119.938 120.400 -0.062 0.000 2.764 221 D HA 0.003 4.643 4.640 -0.000 0.000 0.227 221 D C 0.252 176.495 176.300 -0.095 0.000 1.347 221 D CA -0.322 53.630 54.000 -0.080 0.000 0.953 221 D CB 1.848 42.624 40.800 -0.040 0.000 1.476 221 D HN -0.172 nan 8.370 nan 0.000 0.585 222 V N 4.491 124.322 119.914 -0.139 0.000 2.568 222 V HA -0.182 3.938 4.120 -0.000 0.000 0.253 222 V C 1.389 177.388 176.094 -0.159 0.000 1.072 222 V CA 1.754 63.966 62.300 -0.148 0.000 1.084 222 V CB -0.283 31.430 31.823 -0.183 0.000 0.676 222 V HN 0.506 nan 8.190 nan 0.000 0.469 223 N N 0.282 118.870 118.700 -0.188 0.000 2.396 223 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 223 N C 0.857 176.308 175.510 -0.098 0.000 1.028 223 N CA 0.806 53.746 53.050 -0.184 0.000 0.893 223 N CB -0.404 37.950 38.487 -0.221 0.000 0.967 223 N HN 0.522 nan 8.380 nan 0.000 0.440 224 D N 1.370 121.729 120.400 -0.067 0.000 2.498 224 D HA 0.012 4.652 4.640 -0.000 0.000 0.229 224 D C 1.127 177.414 176.300 -0.022 0.000 1.188 224 D CA -0.302 53.679 54.000 -0.032 0.000 1.028 224 D CB 0.149 40.938 40.800 -0.019 0.000 1.087 224 D HN -0.136 nan 8.370 nan 0.000 0.510 225 L N 2.978 124.192 121.223 -0.015 0.000 2.043 225 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 225 L C 2.211 179.092 176.870 0.018 0.000 1.075 225 L CA 1.525 56.370 54.840 0.009 0.000 0.752 225 L CB -0.655 41.430 42.059 0.044 0.000 0.891 225 L HN 0.372 nan 8.230 nan 0.000 0.432 226 E N -0.646 119.566 120.200 0.019 0.000 2.153 226 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 226 E C 2.179 178.793 176.600 0.023 0.000 0.988 226 E CA 1.259 57.674 56.400 0.024 0.000 0.811 226 E CB -0.164 29.550 29.700 0.023 0.000 0.746 226 E HN 0.422 nan 8.360 nan 0.000 0.466 227 A N 0.293 123.123 122.820 0.018 0.000 1.902 227 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 227 A C 2.281 179.886 177.584 0.036 0.000 1.181 227 A CA 1.336 53.387 52.037 0.023 0.000 0.623 227 A CB -0.705 18.302 19.000 0.013 0.000 0.818 227 A HN 0.337 nan 8.150 nan 0.000 0.443 228 L N -0.926 120.314 121.223 0.028 0.000 2.017 228 L HA -0.213 4.126 4.340 -0.000 0.000 0.208 228 L C 2.921 179.826 176.870 0.057 0.000 1.073 228 L CA 1.513 56.380 54.840 0.045 0.000 0.745 228 L CB -0.476 41.576 42.059 -0.012 0.000 0.894 228 L HN 0.379 nan 8.230 nan 0.000 0.432 229 R N 0.200 120.719 120.500 0.031 0.000 2.083 229 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 229 R C 2.301 178.626 176.300 0.042 0.000 1.137 229 R CA 1.488 57.605 56.100 0.029 0.000 0.951 229 R CB -0.364 29.949 30.300 0.023 0.000 0.851 229 R HN 0.357 nan 8.270 nan 0.000 0.434 230 K N 0.414 120.840 120.400 0.042 0.000 2.097 230 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 230 K C 2.214 178.846 176.600 0.054 0.000 1.049 230 K CA 1.372 57.684 56.287 0.042 0.000 0.933 230 K CB -0.169 32.353 32.500 0.037 0.000 0.717 230 K HN 0.171 nan 8.250 nan 0.000 0.442 231 A N 1.551 124.414 122.820 0.071 0.000 1.877 231 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 231 A C 2.122 179.762 177.584 0.094 0.000 1.186 231 A CA 1.300 53.389 52.037 0.088 0.000 0.620 231 A CB -0.603 18.469 19.000 0.120 0.000 0.822 231 A HN 0.177 nan 8.150 nan 0.000 0.443 232 I N -0.538 120.106 120.570 0.123 0.000 2.286 232 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 232 I C 2.445 178.594 176.117 0.053 0.000 1.115 232 I CA 1.544 62.919 61.300 0.125 0.000 1.392 232 I CB -0.304 37.783 38.000 0.146 0.000 1.065 232 I HN 0.326 nan 8.210 nan 0.000 0.418 233 K N 0.770 121.193 120.400 0.039 0.000 2.057 233 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 233 K C 2.133 178.749 176.600 0.026 0.000 1.050 233 K CA 1.182 57.482 56.287 0.021 0.000 0.935 233 K CB -0.177 32.338 32.500 0.025 0.000 0.715 233 K HN 0.272 nan 8.250 nan 0.000 0.439 234 L N 0.653 121.897 121.223 0.036 0.000 2.042 234 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 234 L C 2.622 179.513 176.870 0.034 0.000 1.076 234 L CA 1.214 56.076 54.840 0.036 0.000 0.749 234 L CB -0.654 41.429 42.059 0.041 0.000 0.893 234 L HN 0.221 nan 8.230 nan 0.000 0.432 235 A N 0.175 123.016 122.820 0.034 0.000 1.902 235 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 235 A C 2.312 179.913 177.584 0.029 0.000 1.181 235 A CA 1.688 53.740 52.037 0.026 0.000 0.623 235 A CB -0.362 18.648 19.000 0.016 0.000 0.818 235 A HN 0.333 nan 8.150 nan 0.000 0.443 236 K N -0.466 119.948 120.400 0.023 0.000 2.147 236 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 236 K C 1.662 178.310 176.600 0.080 0.000 1.049 236 K CA 1.162 57.484 56.287 0.059 0.000 0.936 236 K CB -0.314 32.164 32.500 -0.037 0.000 0.722 236 K HN 0.478 nan 8.250 nan 0.000 0.446 237 L N 0.603 121.855 121.223 0.048 0.000 2.313 237 L HA -0.030 4.310 4.340 -0.000 0.000 0.214 237 L C 1.136 178.024 176.870 0.030 0.000 1.119 237 L CA 0.334 55.199 54.840 0.041 0.000 0.809 237 L CB -0.134 41.945 42.059 0.034 0.000 0.933 237 L HN 0.191 nan 8.230 nan 0.000 0.449 238 D N 0.787 121.202 120.400 0.026 0.000 2.350 238 D HA -0.006 4.634 4.640 -0.000 0.000 0.249 238 D C 0.518 176.815 176.300 -0.005 0.000 1.119 238 D CA -0.142 53.866 54.000 0.013 0.000 0.886 238 D CB 1.699 42.509 40.800 0.015 0.000 1.195 238 D HN 0.220 nan 8.370 nan 0.000 0.437 239 E N 2.348 122.539 120.200 -0.015 0.000 2.511 239 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 239 E C 0.115 176.677 176.600 -0.063 0.000 1.066 239 E CA 0.443 56.822 56.400 -0.035 0.000 0.871 239 E CB 0.006 29.688 29.700 -0.030 0.000 0.863 239 E HN 0.235 nan 8.360 nan 0.000 0.520 240 R N 1.195 121.654 120.500 -0.068 0.000 2.720 240 R HA 0.430 4.770 4.340 -0.000 0.000 0.272 240 R C -2.395 173.768 176.300 -0.230 0.000 0.991 240 R CA -2.565 53.460 56.100 -0.125 0.000 1.010 240 R CB 0.771 31.043 30.300 -0.048 0.000 1.141 240 R HN 0.040 nan 8.270 nan 0.000 0.494 241 P HA 0.063 nan 4.420 nan 0.000 0.272 241 P C -0.803 176.230 177.300 -0.444 0.000 1.230 241 P CA -0.124 62.528 63.100 -0.746 0.000 0.788 241 P CB 0.842 31.576 31.700 -1.609 0.000 0.949 242 T N 1.751 116.194 114.554 -0.185 0.000 2.861 242 T HA 0.443 4.793 4.350 -0.000 0.000 0.287 242 T C -0.628 174.280 174.700 0.347 0.000 1.003 242 T CA -0.392 61.805 62.100 0.161 0.000 0.977 242 T CB 1.036 69.929 68.868 0.040 0.000 0.996 242 T HN 0.233 nan 8.240 nan 0.000 0.448 243 L N 4.016 125.466 121.223 0.379 0.000 2.305 243 L HA 0.660 5.000 4.340 -0.000 0.000 0.284 243 L C -1.278 175.633 176.870 0.069 0.000 1.013 243 L CA -0.621 54.300 54.840 0.135 0.000 0.819 243 L CB 0.598 42.548 42.059 -0.181 0.000 1.227 243 L HN 0.645 nan 8.230 nan 0.000 0.417 244 I N 5.658 126.243 120.570 0.025 0.000 2.354 244 I HA 0.480 4.650 4.170 -0.000 0.000 0.286 244 I C 0.259 176.484 176.117 0.180 0.000 1.007 244 I CA -0.646 60.702 61.300 0.080 0.000 1.167 244 I CB 1.609 39.633 38.000 0.039 0.000 1.320 244 I HN 0.786 nan 8.210 nan 0.000 0.458 245 A N 7.060 129.992 122.820 0.186 0.000 2.396 245 A HA 0.528 4.848 4.320 -0.000 0.000 0.279 245 A C -0.190 177.395 177.584 0.001 0.000 1.165 245 A CA -0.221 51.912 52.037 0.161 0.000 0.824 245 A CB 0.151 19.264 19.000 0.189 0.000 1.100 245 A HN 0.496 nan 8.150 nan 0.000 0.516 246 V N 5.159 125.032 119.914 -0.069 0.000 2.334 246 V HA 0.288 4.408 4.120 -0.000 0.000 0.281 246 V C 0.448 176.414 176.094 -0.213 0.000 1.016 246 V CA -0.847 61.406 62.300 -0.078 0.000 0.832 246 V CB 1.099 32.932 31.823 0.017 0.000 0.999 246 V HN 0.893 nan 8.190 nan 0.000 0.439 247 R N 3.363 123.740 120.500 -0.206 0.000 2.442 247 R HA 0.472 4.812 4.340 -0.000 0.000 0.291 247 R C 0.189 176.330 176.300 -0.265 0.000 1.069 247 R CA 0.369 56.315 56.100 -0.257 0.000 1.022 247 R CB 1.282 31.454 30.300 -0.213 0.000 0.976 247 R HN 0.955 nan 8.270 nan 0.000 0.443 248 S N 2.895 118.412 115.700 -0.306 0.000 2.638 248 S HA 0.414 4.884 4.470 -0.000 0.000 0.274 248 S C -1.252 173.161 174.600 -0.313 0.000 1.157 248 S CA -0.932 57.094 58.200 -0.290 0.000 0.826 248 S CB 1.825 64.921 63.200 -0.174 0.000 1.139 248 S HN 0.636 nan 8.310 nan 0.000 0.474 249 H N 1.439 120.541 119.070 0.054 0.000 2.623 249 H HA 0.418 4.974 4.556 -0.000 0.000 0.299 249 H C -0.132 175.261 175.328 0.109 0.000 1.052 249 H CA -0.462 55.650 56.048 0.107 0.000 1.231 249 H CB 0.924 30.811 29.762 0.209 0.000 1.389 249 H HN 0.674 nan 8.280 nan 0.000 0.469 250 I N 1.848 122.521 120.570 0.172 0.000 2.775 250 I HA -0.023 4.147 4.170 -0.000 0.000 0.290 250 I C 1.057 177.257 176.117 0.138 0.000 1.203 250 I CA 1.199 62.583 61.300 0.140 0.000 1.433 250 I CB 0.316 38.400 38.000 0.139 0.000 1.354 250 I HN 0.967 nan 8.210 nan 0.000 0.579 251 G N 5.951 114.813 108.800 0.103 0.000 2.221 251 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 251 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 251 G C 0.157 175.095 174.900 0.063 0.000 1.041 251 G CA 0.172 45.305 45.100 0.055 0.000 0.807 251 G HN 0.731 nan 8.290 nan 0.000 0.502 252 F N 0.646 120.583 119.950 -0.021 0.000 2.629 252 F HA 0.345 4.872 4.527 -0.000 0.000 0.377 252 F C 1.596 177.353 175.800 -0.072 0.000 1.101 252 F CA 1.759 59.747 58.000 -0.020 0.000 1.301 252 F CB 0.445 39.445 39.000 0.000 0.000 1.062 252 F HN 1.164 nan 8.300 nan 0.000 0.583 253 G N 3.112 111.401 108.800 -0.851 0.000 2.205 253 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.261 253 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.261 253 G C 0.202 174.943 174.900 -0.266 0.000 0.980 253 G CA 0.412 45.161 45.100 -0.584 0.000 0.632 253 G HN 1.331 nan 8.290 nan 0.000 0.533 254 S N -0.418 115.164 115.700 -0.196 0.000 2.747 254 S HA 0.783 5.253 4.470 -0.000 0.000 0.300 254 S C -1.353 173.187 174.600 -0.100 0.000 1.121 254 S CA -0.666 57.467 58.200 -0.112 0.000 0.995 254 S CB 2.585 65.738 63.200 -0.079 0.000 1.113 254 S HN -0.081 nan 8.310 nan 0.000 0.547 255 P HA 0.116 nan 4.420 nan 0.000 0.226 255 P C 0.358 177.633 177.300 -0.042 0.000 1.153 255 P CA 0.906 63.974 63.100 -0.052 0.000 0.777 255 P CB 0.025 31.705 31.700 -0.032 0.000 0.794 256 K N -0.560 119.820 120.400 -0.033 0.000 2.410 256 K HA 0.067 4.386 4.320 -0.000 0.000 0.200 256 K C 0.771 177.367 176.600 -0.007 0.000 1.023 256 K CA -0.175 56.105 56.287 -0.013 0.000 1.149 256 K CB 0.032 32.531 32.500 -0.000 0.000 0.859 256 K HN 0.264 nan 8.250 nan 0.000 0.514 257 Q N 1.672 121.452 119.800 -0.033 0.000 2.349 257 Q HA -0.124 4.215 4.340 -0.000 0.000 0.287 257 Q C -0.540 175.466 176.000 0.009 0.000 1.044 257 Q CA 0.753 56.544 55.803 -0.020 0.000 0.918 257 Q CB 0.407 29.083 28.738 -0.103 0.000 1.242 257 Q HN 0.251 nan 8.270 nan 0.000 0.405 258 D N 0.979 121.421 120.400 0.069 0.000 2.911 258 D HA -0.167 4.473 4.640 -0.000 0.000 0.227 258 D C -1.080 175.255 176.300 0.059 0.000 1.164 258 D CA 1.360 55.412 54.000 0.087 0.000 0.782 258 D CB -1.236 39.610 40.800 0.076 0.000 1.094 258 D HN 0.358 nan 8.370 nan 0.000 0.425 259 S N -1.592 114.142 115.700 0.057 0.000 2.536 259 S HA 0.656 5.126 4.470 -0.000 0.000 0.287 259 S C 0.924 175.564 174.600 0.066 0.000 1.101 259 S CA 0.112 58.341 58.200 0.048 0.000 0.950 259 S CB 2.066 65.285 63.200 0.031 0.000 1.056 259 S HN 0.137 nan 8.310 nan 0.000 0.481 260 A N 3.881 126.735 122.820 0.056 0.000 2.178 260 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 260 A C 1.748 179.391 177.584 0.098 0.000 1.157 260 A CA 1.193 53.270 52.037 0.068 0.000 0.689 260 A CB -0.419 18.594 19.000 0.021 0.000 0.787 260 A HN 0.868 nan 8.150 nan 0.000 0.465 261 K N -0.451 119.989 120.400 0.067 0.000 2.365 261 K HA 0.054 4.374 4.320 -0.000 0.000 0.199 261 K C 1.792 178.428 176.600 0.061 0.000 1.045 261 K CA 0.795 57.116 56.287 0.056 0.000 0.962 261 K CB -0.119 32.401 32.500 0.032 0.000 0.759 261 K HN 0.454 nan 8.250 nan 0.000 0.469 262 A N 0.191 123.059 122.820 0.079 0.000 2.178 262 A HA -0.059 4.261 4.320 -0.000 0.000 0.211 262 A C 1.622 179.267 177.584 0.102 0.000 1.157 262 A CA 0.543 52.621 52.037 0.068 0.000 0.780 262 A CB -0.355 18.682 19.000 0.062 0.000 0.828 262 A HN 0.291 nan 8.150 nan 0.000 0.476 263 H N 0.229 119.333 119.070 0.057 0.000 2.253 263 H HA 0.049 4.605 4.556 -0.000 0.000 0.299 263 H C 1.578 176.974 175.328 0.113 0.000 1.064 263 H CA 2.239 58.350 56.048 0.105 0.000 1.264 263 H CB -0.160 29.652 29.762 0.083 0.000 1.371 263 H HN 0.280 nan 8.280 nan 0.000 0.493 264 G N -0.271 108.467 108.800 -0.104 0.000 4.331 264 G HA2 0.258 4.218 3.960 -0.000 0.000 0.299 264 G HA3 0.258 4.218 3.960 -0.000 0.000 0.299 264 G C -1.088 173.628 174.900 -0.307 0.000 1.158 264 G CA -0.022 44.794 45.100 -0.473 0.000 0.916 264 G HN 0.638 nan 8.290 nan 0.000 0.553 265 E N -0.237 119.872 120.200 -0.152 0.000 2.392 265 E HA 0.472 4.822 4.350 -0.000 0.000 0.279 265 E C -3.213 173.363 176.600 -0.039 0.000 0.964 265 E CA -2.278 54.073 56.400 -0.081 0.000 0.777 265 E CB 1.891 31.571 29.700 -0.033 0.000 1.249 265 E HN -0.129 nan 8.360 nan 0.000 0.449 266 P HA -0.013 nan 4.420 nan 0.000 0.265 266 P C 0.610 177.912 177.300 0.003 0.000 1.187 266 P CA 0.026 63.131 63.100 0.009 0.000 0.766 266 P CB 0.546 32.263 31.700 0.028 0.000 0.820 267 L N 1.438 122.661 121.223 -0.000 0.000 2.131 267 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 267 L C 1.240 178.114 176.870 0.007 0.000 1.092 267 L CA 1.385 56.223 54.840 -0.003 0.000 0.759 267 L CB -1.087 40.964 42.059 -0.013 0.000 0.903 267 L HN 0.751 nan 8.230 nan 0.000 0.435 268 G N -1.291 107.518 108.800 0.015 0.000 2.675 268 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 268 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 268 G C -2.100 172.814 174.900 0.024 0.000 1.215 268 G CA -0.366 44.746 45.100 0.019 0.000 0.777 268 G HN -0.036 nan 8.290 nan 0.000 0.638 269 P HA -0.146 nan 4.420 nan 0.000 0.216 269 P C 1.351 178.668 177.300 0.028 0.000 1.153 269 P CA 1.943 65.061 63.100 0.031 0.000 0.858 269 P CB 0.128 31.846 31.700 0.029 0.000 0.789 270 E N 0.207 120.419 120.200 0.021 0.000 2.023 270 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 270 E C 2.346 178.957 176.600 0.018 0.000 1.003 270 E CA 1.450 57.860 56.400 0.017 0.000 0.809 270 E CB -0.669 29.037 29.700 0.010 0.000 0.755 270 E HN 0.159 nan 8.360 nan 0.000 0.449 271 A N 1.038 123.866 122.820 0.014 0.000 1.917 271 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 271 A C 2.526 180.125 177.584 0.025 0.000 1.182 271 A CA 1.500 53.543 52.037 0.009 0.000 0.633 271 A CB -0.802 18.198 19.000 -0.000 0.000 0.819 271 A HN 0.131 nan 8.150 nan 0.000 0.448 272 V N -0.095 119.843 119.914 0.039 0.000 2.261 272 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 272 V C 2.637 178.799 176.094 0.115 0.000 1.047 272 V CA 2.500 64.847 62.300 0.078 0.000 1.015 272 V CB -0.729 31.139 31.823 0.075 0.000 0.642 272 V HN 0.731 nan 8.190 nan 0.000 0.446 273 E N 0.780 121.026 120.200 0.076 0.000 2.058 273 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 273 E C 2.126 178.767 176.600 0.068 0.000 0.997 273 E CA 1.847 58.288 56.400 0.068 0.000 0.801 273 E CB -0.603 29.120 29.700 0.038 0.000 0.746 273 E HN 0.494 nan 8.360 nan 0.000 0.450 274 A N -0.388 122.460 122.820 0.047 0.000 1.908 274 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 274 A C 2.468 180.083 177.584 0.052 0.000 1.181 274 A CA 2.318 54.373 52.037 0.032 0.000 0.627 274 A CB -1.181 17.823 19.000 0.007 0.000 0.818 274 A HN 0.402 nan 8.150 nan 0.000 0.445 275 T N -0.387 114.213 114.554 0.077 0.000 2.708 275 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 275 T C 2.044 176.911 174.700 0.280 0.000 1.037 275 T CA 1.524 63.689 62.100 0.109 0.000 1.146 275 T CB -0.262 68.642 68.868 0.060 0.000 0.865 275 T HN 0.503 nan 8.240 nan 0.000 0.435 276 R N 0.633 121.335 120.500 0.336 0.000 2.091 276 R HA -0.027 4.312 4.340 -0.000 0.000 0.238 276 R C 2.761 179.153 176.300 0.154 0.000 1.136 276 R CA 1.314 57.576 56.100 0.269 0.000 0.959 276 R CB -0.166 30.210 30.300 0.127 0.000 0.856 276 R HN 0.375 nan 8.270 nan 0.000 0.437 277 R N 0.009 120.568 120.500 0.097 0.000 2.062 277 R HA -0.004 4.336 4.340 -0.000 0.000 0.229 277 R C 2.027 178.360 176.300 0.054 0.000 1.128 277 R CA 1.125 57.255 56.100 0.049 0.000 0.960 277 R CB -0.227 30.087 30.300 0.022 0.000 0.855 277 R HN 0.250 nan 8.270 nan 0.000 0.432 278 N N 0.896 119.627 118.700 0.052 0.000 2.120 278 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 278 N C 1.625 177.168 175.510 0.054 0.000 1.024 278 N CA 1.224 54.284 53.050 0.016 0.000 0.852 278 N CB -0.025 38.436 38.487 -0.043 0.000 1.003 278 N HN 0.234 nan 8.380 nan 0.000 0.424 279 L N -0.282 121.028 121.223 0.144 0.000 2.592 279 L HA 0.225 4.565 4.340 -0.000 0.000 0.227 279 L C 0.743 177.750 176.870 0.229 0.000 1.127 279 L CA -0.054 54.915 54.840 0.215 0.000 0.884 279 L CB -0.278 41.986 42.059 0.341 0.000 1.065 279 L HN 0.114 nan 8.230 nan 0.000 0.457 280 G N 0.167 109.066 108.800 0.165 0.000 2.333 280 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.296 280 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.296 280 G C -0.341 174.646 174.900 0.145 0.000 1.059 280 G CA -0.192 44.974 45.100 0.109 0.000 1.050 280 G HN 0.483 nan 8.290 nan 0.000 0.508 281 W N 2.047 123.245 121.300 -0.170 0.000 2.296 281 W HA 0.486 5.146 4.660 -0.000 0.000 0.316 281 W C -1.688 174.591 176.519 -0.398 0.000 1.022 281 W CA -2.167 54.967 57.345 -0.352 0.000 1.324 281 W CB 1.966 30.879 29.460 -0.912 0.000 1.227 281 W HN 0.193 nan 8.180 nan 0.000 0.409 282 P HA -0.029 nan 4.420 nan 0.000 0.251 282 P C -0.337 176.450 177.300 -0.854 0.000 1.223 282 P CA 0.544 63.202 63.100 -0.736 0.000 0.796 282 P CB 0.364 31.613 31.700 -0.752 0.000 1.068 283 Y N 1.571 121.338 120.300 -0.888 0.000 2.309 283 Y HA 0.325 4.875 4.550 -0.000 0.000 0.327 283 Y C -1.721 174.008 175.900 -0.285 0.000 1.172 283 Y CA -2.731 54.992 58.100 -0.628 0.000 1.280 283 Y CB -0.807 37.146 38.460 -0.845 0.000 1.234 283 Y HN -0.038 nan 8.280 nan 0.000 0.512 284 P HA 0.155 nan 4.420 nan 0.000 0.274 284 P C -2.604 174.780 177.300 0.139 0.000 1.256 284 P CA -1.502 61.641 63.100 0.071 0.000 0.795 284 P CB 0.063 31.804 31.700 0.069 0.000 1.038 285 P HA -0.067 nan 4.420 nan 0.000 0.260 285 P C -0.343 177.043 177.300 0.143 0.000 1.172 285 P CA 0.907 64.008 63.100 0.002 0.000 0.760 285 P CB -0.478 31.230 31.700 0.015 0.000 0.773 286 F N -0.374 119.680 119.950 0.173 0.000 2.825 286 F HA -0.216 4.311 4.527 -0.000 0.000 0.358 286 F C 0.396 176.294 175.800 0.163 0.000 0.639 286 F CA 0.383 58.465 58.000 0.137 0.000 1.153 286 F CB -2.149 36.901 39.000 0.084 0.000 1.610 286 F HN 0.054 nan 8.300 nan 0.000 0.305 287 V N 1.579 121.671 119.914 0.297 0.000 2.407 287 V HA 0.592 4.711 4.120 -0.000 0.000 0.278 287 V C 0.312 176.482 176.094 0.128 0.000 1.037 287 V CA -0.836 61.595 62.300 0.218 0.000 0.900 287 V CB 1.691 33.614 31.823 0.167 0.000 0.983 287 V HN -0.051 nan 8.190 nan 0.000 0.459 288 V N 7.248 127.211 119.914 0.082 0.000 2.588 288 V HA 0.447 4.567 4.120 -0.000 0.000 0.304 288 V C -2.139 173.821 176.094 -0.223 0.000 1.042 288 V CA -1.781 60.444 62.300 -0.125 0.000 0.877 288 V CB 2.414 34.108 31.823 -0.216 0.000 0.996 288 V HN 0.767 nan 8.190 nan 0.000 0.425 289 P HA 0.059 nan 4.420 nan 0.000 0.265 289 P C 0.472 177.757 177.300 -0.024 0.000 1.193 289 P CA 0.135 63.049 63.100 -0.311 0.000 0.765 289 P CB 1.317 32.767 31.700 -0.416 0.000 0.823 290 E N 2.778 123.036 120.200 0.096 0.000 2.130 290 E HA -0.264 4.085 4.350 -0.000 0.000 0.196 290 E C 1.791 178.480 176.600 0.149 0.000 0.998 290 E CA 1.946 58.464 56.400 0.197 0.000 0.806 290 E CB -0.535 29.233 29.700 0.114 0.000 0.738 290 E HN 0.645 nan 8.360 nan 0.000 0.459 291 E N -0.659 119.585 120.200 0.074 0.000 2.130 291 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 291 E C 1.876 178.535 176.600 0.098 0.000 0.998 291 E CA 1.552 57.996 56.400 0.072 0.000 0.806 291 E CB 0.018 29.742 29.700 0.041 0.000 0.738 291 E HN 0.242 nan 8.360 nan 0.000 0.459 292 V N 0.158 120.101 119.914 0.049 0.000 2.379 292 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 292 V C 1.871 177.994 176.094 0.047 0.000 1.044 292 V CA 1.700 64.026 62.300 0.042 0.000 1.036 292 V CB -0.671 31.109 31.823 -0.072 0.000 0.664 292 V HN 0.348 nan 8.190 nan 0.000 0.453 293 Y N 0.822 121.164 120.300 0.069 0.000 2.207 293 Y HA -0.184 4.365 4.550 -0.000 0.000 0.287 293 Y C 2.683 178.603 175.900 0.034 0.000 1.156 293 Y CA 1.482 59.605 58.100 0.038 0.000 1.182 293 Y CB -0.395 38.075 38.460 0.016 0.000 0.979 293 Y HN 0.159 nan 8.280 nan 0.000 0.521 294 R N -1.237 119.386 120.500 0.205 0.000 2.073 294 R HA -0.102 4.238 4.340 -0.000 0.000 0.229 294 R C 1.035 177.416 176.300 0.135 0.000 1.120 294 R CA 0.928 57.110 56.100 0.136 0.000 0.967 294 R CB -0.710 29.658 30.300 0.114 0.000 0.862 294 R HN 0.312 nan 8.270 nan 0.000 0.436 300 E N 1.073 121.162 120.200 -0.186 0.000 2.076 300 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 300 E C 1.050 177.459 176.600 -0.319 0.000 0.979 300 E CA 0.896 57.171 56.400 -0.209 0.000 0.807 300 E CB 0.135 29.734 29.700 -0.168 0.000 0.761 300 E HN 0.167 nan 8.360 nan 0.000 0.454 301 K N 0.557 120.705 120.400 -0.420 0.000 2.097 301 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 301 K C 2.249 178.372 176.600 -0.794 0.000 1.050 301 K CA 1.040 56.851 56.287 -0.794 0.000 0.938 301 K CB -0.200 31.718 32.500 -0.971 0.000 0.718 301 K HN 0.130 nan 8.250 nan 0.000 0.442 302 G N 1.484 110.060 108.800 -0.374 0.000 2.421 302 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 302 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 302 G C 1.479 176.236 174.900 -0.238 0.000 1.171 302 G CA 0.444 45.463 45.100 -0.135 0.000 0.775 302 G HN 0.176 nan 8.290 nan 0.000 0.543 303 R N 0.433 120.783 120.500 -0.250 0.000 2.080 303 R HA -0.072 4.268 4.340 -0.000 0.000 0.236 303 R C 3.084 179.244 176.300 -0.234 0.000 1.137 303 R CA 1.306 57.272 56.100 -0.223 0.000 0.943 303 R CB -0.550 29.644 30.300 -0.177 0.000 0.846 303 R HN 0.347 nan 8.270 nan 0.000 0.431 304 A N 0.883 123.536 122.820 -0.278 0.000 1.892 304 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 304 A C 1.876 179.354 177.584 -0.176 0.000 1.188 304 A CA 1.416 53.295 52.037 -0.263 0.000 0.631 304 A CB -0.874 17.892 19.000 -0.390 0.000 0.822 304 A HN 0.437 nan 8.150 nan 0.000 0.447 305 W N -0.454 120.711 121.300 -0.224 0.000 2.354 305 W HA -0.143 4.516 4.660 -0.000 0.000 0.315 305 W C 2.601 178.842 176.519 -0.464 0.000 1.206 305 W CA 1.270 58.465 57.345 -0.250 0.000 1.290 305 W CB -1.256 28.052 29.460 -0.254 0.000 1.152 305 W HN 0.602 nan 8.180 nan 0.000 0.489 306 Q N 0.325 119.734 119.800 -0.651 0.000 2.084 306 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 306 Q C 1.977 177.881 176.000 -0.159 0.000 0.978 306 Q CA 1.847 57.136 55.803 -0.858 0.000 0.844 306 Q CB -0.025 28.154 28.738 -0.931 0.000 0.898 306 Q HN -0.030 nan 8.270 nan 0.000 0.426 307 E N 0.170 120.299 120.200 -0.118 0.000 2.118 307 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 307 E C 1.668 178.298 176.600 0.049 0.000 0.992 307 E CA 1.319 57.704 56.400 -0.025 0.000 0.804 307 E CB -0.365 29.302 29.700 -0.055 0.000 0.741 307 E HN 0.480 nan 8.360 nan 0.000 0.458 308 A N -0.394 122.479 122.820 0.089 0.000 1.930 308 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 308 A C 2.080 179.808 177.584 0.240 0.000 1.175 308 A CA 1.331 53.459 52.037 0.151 0.000 0.627 308 A CB -1.009 18.107 19.000 0.193 0.000 0.815 308 A HN 0.481 nan 8.150 nan 0.000 0.443 309 W N 1.039 122.422 121.300 0.137 0.000 2.355 309 W HA -0.132 4.528 4.660 -0.000 0.000 0.309 309 W C 1.925 178.541 176.519 0.162 0.000 1.206 309 W CA 1.842 59.324 57.345 0.228 0.000 1.284 309 W CB -0.264 29.480 29.460 0.473 0.000 1.145 309 W HN 0.476 nan 8.180 nan 0.000 0.502 310 E N -0.007 120.262 120.200 0.114 0.000 2.110 310 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 310 E C 2.077 178.623 176.600 -0.090 0.000 0.988 310 E CA 1.637 57.985 56.400 -0.087 0.000 0.804 310 E CB -0.343 29.375 29.700 0.031 0.000 0.745 310 E HN 0.265 nan 8.360 nan 0.000 0.458 311 K N 0.712 121.103 120.400 -0.016 0.000 2.097 311 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 311 K C 2.103 178.700 176.600 -0.005 0.000 1.050 311 K CA 1.010 57.294 56.287 -0.005 0.000 0.938 311 K CB -0.052 32.460 32.500 0.020 0.000 0.718 311 K HN 0.074 nan 8.250 nan 0.000 0.442 312 A N 1.280 124.095 122.820 -0.008 0.000 1.933 312 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 312 A C 2.046 179.632 177.584 0.002 0.000 1.175 312 A CA 1.199 53.246 52.037 0.017 0.000 0.628 312 A CB -0.537 18.482 19.000 0.032 0.000 0.814 312 A HN 0.331 nan 8.150 nan 0.000 0.444 313 L N -0.517 120.611 121.223 -0.158 0.000 2.141 313 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 313 L C 2.555 179.438 176.870 0.021 0.000 1.094 313 L CA 0.952 55.741 54.840 -0.085 0.000 0.763 313 L CB -0.473 41.410 42.059 -0.293 0.000 0.908 313 L HN 0.402 nan 8.230 nan 0.000 0.437 314 E N 0.435 120.614 120.200 -0.034 0.000 2.051 314 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 314 E C 2.319 178.906 176.600 -0.022 0.000 0.991 314 E CA 1.429 57.791 56.400 -0.063 0.000 0.799 314 E CB -0.211 29.466 29.700 -0.038 0.000 0.748 314 E HN 0.479 nan 8.360 nan 0.000 0.449 315 A N 1.015 123.879 122.820 0.073 0.000 1.877 315 A HA -0.214 4.105 4.320 -0.000 0.000 0.216 315 A C 2.156 179.881 177.584 0.235 0.000 1.186 315 A CA 1.490 53.623 52.037 0.159 0.000 0.620 315 A CB -0.926 18.200 19.000 0.210 0.000 0.822 315 A HN 0.310 nan 8.150 nan 0.000 0.443 316 Y N 0.735 121.124 120.300 0.148 0.000 2.128 316 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 316 Y C 2.657 178.546 175.900 -0.018 0.000 1.154 316 Y CA 1.272 59.419 58.100 0.078 0.000 1.149 316 Y CB -0.595 37.963 38.460 0.164 0.000 0.976 316 Y HN 0.305 nan 8.280 nan 0.000 0.505 317 A N -0.144 122.624 122.820 -0.087 0.000 2.019 317 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 317 A C 2.242 179.669 177.584 -0.261 0.000 1.164 317 A CA 1.773 53.563 52.037 -0.411 0.000 0.644 317 A CB -0.525 17.889 19.000 -0.977 0.000 0.805 317 A HN 0.509 nan 8.150 nan 0.000 0.449 318 R N -0.896 119.494 120.500 -0.183 0.000 2.080 318 R HA 0.141 4.481 4.340 -0.000 0.000 0.222 318 R C 2.295 178.464 176.300 -0.218 0.000 1.107 318 R CA 1.198 57.206 56.100 -0.154 0.000 0.980 318 R CB -0.291 29.957 30.300 -0.087 0.000 0.879 318 R HN 0.450 nan 8.270 nan 0.000 0.439 319 A N -0.926 121.711 122.820 -0.305 0.000 2.072 319 A HA 0.031 4.350 4.320 -0.000 0.000 0.216 319 A C -0.114 176.894 177.584 -0.961 0.000 1.156 319 A CA 0.746 52.432 52.037 -0.585 0.000 0.701 319 A CB 0.249 18.862 19.000 -0.645 0.000 0.816 319 A HN 0.297 nan 8.150 nan 0.000 0.458 320 Y N -1.556 118.492 120.300 -0.421 0.000 2.513 320 Y HA 0.304 4.854 4.550 -0.000 0.000 0.341 320 Y C -2.288 173.420 175.900 -0.320 0.000 1.075 320 Y CA -2.199 55.641 58.100 -0.434 0.000 1.190 320 Y CB 0.785 38.801 38.460 -0.739 0.000 1.111 320 Y HN 0.099 nan 8.280 nan 0.000 0.644 321 P HA -0.171 nan 4.420 nan 0.000 0.213 321 P C 1.035 178.366 177.300 0.052 0.000 1.170 321 P CA 1.926 65.011 63.100 -0.025 0.000 0.902 321 P CB 0.553 32.228 31.700 -0.042 0.000 0.789 322 D N -0.971 119.455 120.400 0.043 0.000 2.117 322 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 322 D C 2.084 178.447 176.300 0.105 0.000 0.987 322 D CA 1.000 55.038 54.000 0.065 0.000 0.829 322 D CB -0.863 39.964 40.800 0.046 0.000 0.961 322 D HN 0.146 nan 8.370 nan 0.000 0.460 323 L N -0.072 121.212 121.223 0.102 0.000 2.017 323 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 323 L C 2.473 179.531 176.870 0.313 0.000 1.073 323 L CA 1.207 56.175 54.840 0.213 0.000 0.745 323 L CB -0.459 41.653 42.059 0.089 0.000 0.894 323 L HN 0.151 nan 8.230 nan 0.000 0.432 324 H N -0.164 118.956 119.070 0.084 0.000 2.319 324 H HA -0.257 4.299 4.556 -0.000 0.000 0.299 324 H C 2.346 177.734 175.328 0.099 0.000 1.092 324 H CA 2.202 58.351 56.048 0.169 0.000 1.302 324 H CB 0.049 29.850 29.762 0.066 0.000 1.373 324 H HN 0.270 nan 8.280 nan 0.000 0.497 325 Q N -0.251 119.608 119.800 0.097 0.000 2.124 325 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 325 Q C 1.942 177.933 176.000 -0.015 0.000 0.977 325 Q CA 1.605 57.425 55.803 0.027 0.000 0.850 325 Q CB 0.118 28.907 28.738 0.086 0.000 0.901 325 Q HN 0.537 nan 8.270 nan 0.000 0.429 326 E N 0.441 120.678 120.200 0.061 0.000 2.072 326 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 326 E C 1.031 177.623 176.600 -0.012 0.000 0.982 326 E CA 0.116 56.571 56.400 0.091 0.000 0.803 326 E CB -0.281 29.552 29.700 0.222 0.000 0.755 326 E HN 0.255 nan 8.360 nan 0.000 0.453 330 R N 0.999 121.459 120.500 -0.066 0.000 2.092 330 R HA 0.103 4.443 4.340 -0.000 0.000 0.231 330 R C 2.098 178.346 176.300 -0.087 0.000 1.119 330 R CA 1.626 57.682 56.100 -0.073 0.000 0.970 330 R CB -0.148 30.094 30.300 -0.097 0.000 0.864 330 R HN 0.220 nan 8.270 nan 0.000 0.440 331 L N 0.139 121.298 121.223 -0.107 0.000 2.275 331 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 331 L C 1.846 178.696 176.870 -0.032 0.000 1.119 331 L CA 1.174 55.972 54.840 -0.071 0.000 0.790 331 L CB -0.105 41.929 42.059 -0.042 0.000 0.919 331 L HN 0.106 nan 8.230 nan 0.000 0.443 332 R N -0.239 120.245 120.500 -0.025 0.000 2.310 332 R HA 0.127 4.466 4.340 -0.000 0.000 0.202 332 R C 1.191 177.489 176.300 -0.004 0.000 0.933 332 R CA 0.532 56.629 56.100 -0.005 0.000 1.054 332 R CB 0.139 30.439 30.300 0.000 0.000 0.985 332 R HN 0.326 nan 8.270 nan 0.000 0.489 333 G N 1.743 110.537 108.800 -0.011 0.000 2.249 333 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.273 333 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.273 333 G C -0.526 174.378 174.900 0.007 0.000 1.036 333 G CA 0.129 45.229 45.100 -0.000 0.000 0.824 333 G HN 0.417 nan 8.290 nan 0.000 0.504 334 E N -0.272 119.931 120.200 0.005 0.000 2.115 334 E HA 0.484 4.834 4.350 -0.000 0.000 0.282 334 E C 0.743 177.354 176.600 0.018 0.000 0.987 334 E CA -0.658 55.749 56.400 0.011 0.000 0.797 334 E CB 1.282 30.988 29.700 0.009 0.000 1.086 334 E HN 0.338 nan 8.360 nan 0.000 0.397 335 L N 5.475 126.712 121.223 0.023 0.000 2.426 335 L HA 0.235 4.575 4.340 -0.000 0.000 0.271 335 L C -1.551 175.337 176.870 0.031 0.000 1.169 335 L CA -1.490 53.369 54.840 0.031 0.000 0.836 335 L CB 0.200 42.279 42.059 0.034 0.000 1.112 335 L HN 0.369 nan 8.230 nan 0.000 0.465 336 P HA 0.306 nan 4.420 nan 0.000 0.279 336 P C -2.675 174.647 177.300 0.036 0.000 1.276 336 P CA -1.596 61.525 63.100 0.033 0.000 0.801 336 P CB -0.191 31.530 31.700 0.035 0.000 1.127 337 P HA 0.087 nan 4.420 nan 0.000 0.265 337 P C -0.388 176.942 177.300 0.049 0.000 1.187 337 P CA 0.551 63.676 63.100 0.041 0.000 0.766 337 P CB 0.485 32.209 31.700 0.040 0.000 0.820 338 L N 4.372 125.629 121.223 0.057 0.000 2.344 338 L HA 0.441 4.781 4.340 -0.000 0.000 0.272 338 L C -1.642 175.289 176.870 0.101 0.000 1.035 338 L CA -2.359 52.522 54.840 0.069 0.000 0.807 338 L CB 1.194 43.285 42.059 0.053 0.000 1.237 338 L HN 0.294 nan 8.230 nan 0.000 0.442 339 P HA 0.069 nan 4.420 nan 0.000 0.269 339 P C -0.525 176.939 177.300 0.274 0.000 1.209 339 P CA -0.092 63.117 63.100 0.181 0.000 0.776 339 P CB 1.094 32.912 31.700 0.196 0.000 0.876 340 E N 0.058 120.396 120.200 0.230 0.000 2.389 340 E HA 0.009 4.359 4.350 -0.000 0.000 0.199 340 E C 0.511 177.304 176.600 0.321 0.000 0.978 340 E CA 0.080 56.649 56.400 0.281 0.000 0.912 340 E CB 0.454 30.265 29.700 0.185 0.000 0.907 340 E HN 0.589 nan 8.360 nan 0.000 0.494 341 E N 2.877 123.166 120.200 0.148 0.000 2.200 341 E HA 0.142 4.492 4.350 -0.000 0.000 0.283 341 E C -2.318 174.026 176.600 -0.426 0.000 1.015 341 E CA -2.579 53.808 56.400 -0.022 0.000 0.819 341 E CB 0.926 30.606 29.700 -0.033 0.000 1.081 341 E HN -0.166 nan 8.360 nan 0.000 0.397 342 P HA 0.191 nan 4.420 nan 0.000 0.274 342 P C -2.547 174.388 177.300 -0.608 0.000 1.246 342 P CA -1.340 60.961 63.100 -1.333 0.000 0.795 342 P CB 0.239 31.615 31.700 -0.541 0.000 1.006 343 P HA 0.090 nan 4.420 nan 0.000 0.274 343 P C -0.339 176.639 177.300 -0.537 0.000 1.246 343 P CA -0.083 62.716 63.100 -0.502 0.000 0.795 343 P CB 0.342 31.706 31.700 -0.559 0.000 1.006 344 S N 0.713 116.110 115.700 -0.504 0.000 2.489 344 S HA 0.438 4.908 4.470 -0.000 0.000 0.277 344 S C -0.361 173.883 174.600 -0.593 0.000 1.230 344 S CA -0.065 57.936 58.200 -0.333 0.000 1.053 344 S CB -0.560 62.537 63.200 -0.171 0.000 0.955 344 S HN 0.221 nan 8.310 nan 0.000 0.488 345 F N 1.851 121.794 119.950 -0.012 0.000 2.508 345 F HA 0.379 4.906 4.527 -0.000 0.000 0.325 345 F C 0.717 176.529 175.800 0.021 0.000 1.090 345 F CA -1.154 56.799 58.000 -0.077 0.000 0.945 345 F CB 1.691 40.522 39.000 -0.283 0.000 1.156 345 F HN 0.560 nan 8.300 nan 0.000 0.463 346 D N -0.614 119.885 120.400 0.165 0.000 2.527 346 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 346 D C -0.525 175.831 176.300 0.094 0.000 1.217 346 D CA -0.261 53.808 54.000 0.116 0.000 0.819 346 D CB 0.190 41.026 40.800 0.060 0.000 1.061 346 D HN 0.558 nan 8.370 nan 0.000 0.515 347 K N -1.582 118.878 120.400 0.099 0.000 2.615 347 K HA 0.504 4.824 4.320 -0.000 0.000 0.291 347 K C -3.298 173.316 176.600 0.024 0.000 1.017 347 K CA -1.821 54.498 56.287 0.054 0.000 0.882 347 K CB 0.252 32.774 32.500 0.038 0.000 1.522 347 K HN -0.351 nan 8.250 nan 0.000 0.412 348 P HA 0.110 nan 4.420 nan 0.000 0.264 348 P C -0.909 176.355 177.300 -0.060 0.000 1.183 348 P CA 0.138 63.205 63.100 -0.056 0.000 0.763 348 P CB 0.324 31.990 31.700 -0.056 0.000 0.807 349 I N 0.977 121.483 120.570 -0.107 0.000 2.842 349 I HA 0.562 4.732 4.170 -0.000 0.000 0.297 349 I C -1.014 175.021 176.117 -0.136 0.000 1.380 349 I CA -1.183 60.057 61.300 -0.099 0.000 1.018 349 I CB 1.933 39.886 38.000 -0.078 0.000 1.311 349 I HN 0.337 nan 8.210 nan 0.000 0.439 350 A N 3.321 126.075 122.820 -0.110 0.000 2.445 350 A HA 0.337 4.657 4.320 -0.000 0.000 0.242 350 A C 1.223 178.750 177.584 -0.095 0.000 1.075 350 A CA 0.462 52.428 52.037 -0.118 0.000 0.777 350 A CB 0.276 19.211 19.000 -0.109 0.000 1.013 350 A HN 0.897 nan 8.150 nan 0.000 0.493 351 T N -0.256 114.251 114.554 -0.079 0.000 2.962 351 T HA -0.188 4.162 4.350 -0.000 0.000 0.270 351 T C 1.579 176.292 174.700 0.022 0.000 1.088 351 T CA 1.290 63.364 62.100 -0.042 0.000 1.127 351 T CB -0.377 68.484 68.868 -0.012 0.000 0.883 351 T HN 0.842 nan 8.240 nan 0.000 0.493 352 R N 1.821 122.340 120.500 0.032 0.000 2.092 352 R HA 0.233 4.573 4.340 -0.000 0.000 0.231 352 R C 2.601 178.960 176.300 0.098 0.000 1.119 352 R CA 1.208 57.367 56.100 0.098 0.000 0.970 352 R CB -0.856 29.517 30.300 0.121 0.000 0.864 352 R HN 0.403 nan 8.270 nan 0.000 0.440 353 A N 1.459 124.312 122.820 0.055 0.000 1.930 353 A HA 0.175 4.495 4.320 -0.000 0.000 0.215 353 A C 2.479 180.117 177.584 0.091 0.000 1.176 353 A CA 1.060 53.136 52.037 0.066 0.000 0.632 353 A CB -0.535 18.490 19.000 0.042 0.000 0.819 353 A HN 0.497 nan 8.150 nan 0.000 0.445 354 A N -0.610 122.233 122.820 0.039 0.000 1.972 354 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 354 A C 2.440 180.120 177.584 0.161 0.000 1.169 354 A CA 2.052 54.108 52.037 0.031 0.000 0.635 354 A CB -0.812 18.020 19.000 -0.278 0.000 0.810 354 A HN 0.548 nan 8.150 nan 0.000 0.446 355 S N -0.464 115.339 115.700 0.172 0.000 2.368 355 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 355 S C 2.080 176.757 174.600 0.127 0.000 1.029 355 S CA 1.715 60.089 58.200 0.290 0.000 0.988 355 S CB -0.708 62.721 63.200 0.383 0.000 0.838 355 S HN 0.673 nan 8.310 nan 0.000 0.462 356 G N 1.903 110.765 108.800 0.104 0.000 2.442 356 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 356 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 356 G C 1.697 176.600 174.900 0.005 0.000 1.141 356 G CA 0.383 45.506 45.100 0.039 0.000 0.763 356 G HN 0.377 nan 8.290 nan 0.000 0.554 357 R N 0.588 121.129 120.500 0.068 0.000 2.075 357 R HA 0.073 4.412 4.340 -0.000 0.000 0.232 357 R C 2.971 179.276 176.300 0.010 0.000 1.126 357 R CA 1.213 57.344 56.100 0.051 0.000 0.963 357 R CB -0.946 29.460 30.300 0.176 0.000 0.858 357 R HN 0.350 nan 8.270 nan 0.000 0.435 358 A N 1.120 123.978 122.820 0.063 0.000 1.933 358 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 358 A C 2.338 179.813 177.584 -0.183 0.000 1.175 358 A CA 1.014 53.077 52.037 0.045 0.000 0.628 358 A CB -0.493 18.605 19.000 0.163 0.000 0.814 358 A HN 0.181 nan 8.150 nan 0.000 0.444 359 L N -0.235 120.789 121.223 -0.332 0.000 2.141 359 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 359 L C 2.083 178.838 176.870 -0.192 0.000 1.094 359 L CA 0.868 55.464 54.840 -0.407 0.000 0.763 359 L CB -0.554 41.249 42.059 -0.427 0.000 0.908 359 L HN 0.359 nan 8.230 nan 0.000 0.437 360 N N 0.102 118.729 118.700 -0.122 0.000 2.223 360 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 360 N C 1.767 177.231 175.510 -0.078 0.000 1.016 360 N CA 1.103 54.102 53.050 -0.084 0.000 0.863 360 N CB -0.142 38.301 38.487 -0.073 0.000 0.983 360 N HN 0.221 nan 8.380 nan 0.000 0.429 361 L N 0.593 121.768 121.223 -0.080 0.000 2.068 361 L HA 0.095 4.434 4.340 -0.000 0.000 0.204 361 L C 1.963 178.813 176.870 -0.033 0.000 1.076 361 L CA 1.071 55.878 54.840 -0.055 0.000 0.753 361 L CB -0.347 41.682 42.059 -0.049 0.000 0.910 361 L HN 0.010 nan 8.230 nan 0.000 0.439 362 L N -0.595 120.593 121.223 -0.057 0.000 2.044 362 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 362 L C 2.733 179.573 176.870 -0.050 0.000 1.075 362 L CA 1.050 55.856 54.840 -0.056 0.000 0.747 362 L CB -1.022 40.955 42.059 -0.138 0.000 0.903 362 L HN 0.320 nan 8.230 nan 0.000 0.435 363 A N 0.679 123.457 122.820 -0.071 0.000 1.903 363 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 363 A C 0.031 177.614 177.584 -0.003 0.000 1.191 363 A CA 2.104 54.128 52.037 -0.023 0.000 0.638 363 A CB -1.962 17.030 19.000 -0.014 0.000 0.823 363 A HN 0.286 nan 8.150 nan 0.000 0.451 364 P HA -0.148 nan 4.420 nan 0.000 0.218 364 P C 1.069 178.372 177.300 0.005 0.000 1.148 364 P CA 1.296 64.393 63.100 -0.006 0.000 0.822 364 P CB -0.096 31.595 31.700 -0.015 0.000 0.784 365 R N -1.303 119.202 120.500 0.008 0.000 2.317 365 R HA 0.216 4.556 4.340 -0.000 0.000 0.208 365 R C 0.306 176.623 176.300 0.030 0.000 0.914 365 R CA 0.255 56.367 56.100 0.019 0.000 1.060 365 R CB -0.039 30.274 30.300 0.023 0.000 1.015 365 R HN 0.224 nan 8.270 nan 0.000 0.498 366 L N 2.342 123.584 121.223 0.032 0.000 2.433 366 L HA 0.307 4.647 4.340 -0.000 0.000 0.256 366 L C -1.812 175.097 176.870 0.065 0.000 1.063 366 L CA -1.676 53.194 54.840 0.050 0.000 0.922 366 L CB 2.021 44.112 42.059 0.053 0.000 1.238 366 L HN -0.167 nan 8.230 nan 0.000 0.466 367 P HA -0.164 nan 4.420 nan 0.000 0.226 367 P C 0.820 178.201 177.300 0.135 0.000 1.153 367 P CA 1.013 64.161 63.100 0.079 0.000 0.777 367 P CB 0.329 32.067 31.700 0.065 0.000 0.794 368 E N -0.227 120.055 120.200 0.137 0.000 2.435 368 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 368 E C 0.699 177.463 176.600 0.273 0.000 1.029 368 E CA -0.123 56.398 56.400 0.203 0.000 0.865 368 E CB -0.690 29.070 29.700 0.100 0.000 0.833 368 E HN 0.216 nan 8.360 nan 0.000 0.510 369 L N 2.195 123.521 121.223 0.171 0.000 2.418 369 L HA 0.214 4.554 4.340 -0.000 0.000 0.274 369 L C -0.635 176.278 176.870 0.071 0.000 1.135 369 L CA 0.054 54.984 54.840 0.151 0.000 0.870 369 L CB 0.349 42.499 42.059 0.151 0.000 1.154 369 L HN 0.029 nan 8.230 nan 0.000 0.462 370 L N 5.190 126.388 121.223 -0.043 0.000 2.346 370 L HA 0.800 5.140 4.340 -0.000 0.000 0.276 370 L C 0.437 176.981 176.870 -0.542 0.000 1.006 370 L CA -0.564 54.124 54.840 -0.253 0.000 0.817 370 L CB 1.737 43.565 42.059 -0.385 0.000 1.272 370 L HN 0.708 nan 8.230 nan 0.000 0.421 371 G N 0.376 108.803 108.800 -0.621 0.000 2.816 371 G HA2 0.883 4.843 3.960 -0.000 0.000 0.288 371 G HA3 0.883 4.843 3.960 -0.000 0.000 0.288 371 G C -0.885 173.564 174.900 -0.751 0.000 1.334 371 G CA -0.462 43.965 45.100 -1.122 0.000 0.978 371 G HN 0.894 nan 8.290 nan 0.000 0.493 372 G N -1.840 106.627 108.800 -0.556 0.000 2.322 372 G HA2 0.603 4.563 3.960 -0.000 0.000 0.295 372 G HA3 0.603 4.563 3.960 -0.000 0.000 0.295 372 G C -1.367 173.526 174.900 -0.011 0.000 1.369 372 G CA 0.599 45.310 45.100 -0.649 0.000 0.821 372 G HN 1.546 nan 8.290 nan 0.000 0.536 373 S N -1.799 113.974 115.700 0.123 0.000 2.565 373 S HA 0.704 5.174 4.470 -0.000 0.000 0.269 373 S C -0.450 174.294 174.600 0.239 0.000 1.153 373 S CA 0.507 58.832 58.200 0.210 0.000 0.835 373 S CB 1.436 64.778 63.200 0.238 0.000 1.122 373 S HN 2.172 nan 8.310 nan 0.000 0.462 374 A N 2.685 125.575 122.820 0.117 0.000 3.078 374 A HA 0.511 4.831 4.320 -0.000 0.000 0.279 374 A C 0.379 177.968 177.584 0.008 0.000 1.594 374 A CA 0.391 52.467 52.037 0.065 0.000 1.301 374 A CB -1.401 17.577 19.000 -0.037 0.000 1.162 374 A HN 1.180 nan 8.150 nan 0.000 0.585 375 D N -0.141 120.309 120.400 0.084 0.000 2.772 375 D HA -0.168 4.472 4.640 -0.000 0.000 0.233 375 D C -0.030 176.279 176.300 0.014 0.000 1.143 375 D CA 1.346 55.383 54.000 0.061 0.000 0.700 375 D CB -1.367 39.428 40.800 -0.008 0.000 1.076 375 D HN 0.515 nan 8.370 nan 0.000 0.430 376 L N -0.598 120.647 121.223 0.036 0.000 3.431 376 L HA 0.184 4.524 4.340 -0.000 0.000 0.316 376 L C 1.852 178.789 176.870 0.112 0.000 1.305 376 L CA -0.059 54.774 54.840 -0.011 0.000 0.995 376 L CB 0.394 42.312 42.059 -0.235 0.000 1.411 376 L HN -0.036 nan 8.230 nan 0.000 0.610 377 T N 1.502 116.168 114.554 0.187 0.000 2.624 377 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 377 T C -0.458 174.334 174.700 0.154 0.000 1.041 377 T CA 1.977 64.212 62.100 0.225 0.000 1.159 377 T CB -0.724 68.313 68.868 0.282 0.000 0.863 377 T HN 0.317 nan 8.240 nan 0.000 0.434 378 P HA 0.100 nan 4.420 nan 0.000 0.223 378 P C 1.215 178.610 177.300 0.158 0.000 1.151 378 P CA 0.950 64.121 63.100 0.118 0.000 0.787 378 P CB 0.027 31.788 31.700 0.102 0.000 0.788 379 S N -0.295 115.523 115.700 0.197 0.000 2.478 379 S HA 0.060 4.530 4.470 -0.000 0.000 0.222 379 S C 1.545 176.353 174.600 0.345 0.000 1.008 379 S CA 0.378 58.761 58.200 0.304 0.000 0.928 379 S CB -0.376 63.047 63.200 0.370 0.000 0.781 379 S HN 0.185 nan 8.310 nan 0.000 0.518 380 N N 1.579 120.434 118.700 0.258 0.000 2.325 380 N HA 0.119 4.859 4.740 -0.000 0.000 0.182 380 N C -0.492 175.158 175.510 0.233 0.000 1.088 380 N CA 0.116 53.325 53.050 0.266 0.000 0.879 380 N CB -0.248 38.383 38.487 0.239 0.000 0.983 380 N HN 0.272 nan 8.380 nan 0.000 0.471 381 N N -0.712 118.100 118.700 0.188 0.000 2.740 381 N HA -0.162 4.577 4.740 -0.000 0.000 0.248 381 N C 0.220 175.828 175.510 0.163 0.000 1.062 381 N CA 1.165 54.299 53.050 0.141 0.000 0.704 381 N CB -1.671 36.895 38.487 0.131 0.000 0.968 381 N HN 0.391 nan 8.380 nan 0.000 0.547 382 T N -4.110 110.577 114.554 0.222 0.000 3.044 382 T HA 0.023 4.373 4.350 -0.000 0.000 0.250 382 T C 0.666 175.562 174.700 0.327 0.000 1.081 382 T CA 0.023 62.352 62.100 0.382 0.000 1.040 382 T CB 0.471 69.677 68.868 0.562 0.000 0.962 382 T HN 0.290 nan 8.240 nan 0.000 0.506 383 K N 2.404 122.751 120.400 -0.088 0.000 2.219 383 K HA 0.599 4.919 4.320 -0.000 0.000 0.280 383 K C 0.106 176.600 176.600 -0.176 0.000 1.104 383 K CA -0.488 55.497 56.287 -0.504 0.000 0.925 383 K CB 0.171 32.061 32.500 -1.016 0.000 1.261 383 K HN 0.351 nan 8.250 nan 0.000 0.445 384 A N 3.357 126.154 122.820 -0.038 0.000 2.448 384 A HA 0.019 4.339 4.320 -0.000 0.000 0.239 384 A C -0.105 177.443 177.584 -0.060 0.000 1.080 384 A CA -0.261 51.754 52.037 -0.036 0.000 0.779 384 A CB 0.257 19.254 19.000 -0.006 0.000 1.026 384 A HN 0.808 nan 8.150 nan 0.000 0.499 385 E N 0.276 120.443 120.200 -0.054 0.000 2.417 385 E HA 0.435 4.785 4.350 -0.000 0.000 0.261 385 E C 0.601 177.177 176.600 -0.040 0.000 1.000 385 E CA 1.575 57.944 56.400 -0.050 0.000 0.919 385 E CB -0.293 29.378 29.700 -0.048 0.000 0.955 385 E HN 1.747 nan 8.360 nan 0.000 0.455 389 D N 1.194 121.672 120.400 0.129 0.000 2.458 389 D HA 0.127 4.767 4.640 -0.000 0.000 0.243 389 D C -0.007 176.342 176.300 0.082 0.000 1.146 389 D CA 0.269 54.386 54.000 0.195 0.000 0.877 389 D CB 0.054 41.022 40.800 0.280 0.000 1.176 389 D HN 0.199 nan 8.370 nan 0.000 0.461 390 F N 1.819 121.722 119.950 -0.078 0.000 2.389 390 F HA 0.388 4.915 4.527 -0.000 0.000 0.337 390 F C 0.408 176.134 175.800 -0.123 0.000 1.112 390 F CA -0.146 57.737 58.000 -0.195 0.000 1.192 390 F CB 0.678 39.428 39.000 -0.416 0.000 1.185 390 F HN 0.369 nan 8.300 nan 0.000 0.552 391 S N 4.376 119.251 115.700 -1.375 0.000 2.656 391 S HA 0.372 4.842 4.470 -0.000 0.000 0.265 391 S C 0.217 174.227 174.600 -0.983 0.000 1.132 391 S CA -1.069 56.603 58.200 -0.879 0.000 0.819 391 S CB 1.353 64.353 63.200 -0.334 0.000 1.119 391 S HN 0.761 nan 8.310 nan 0.000 0.476 392 R N 0.393 120.583 120.500 -0.518 0.000 2.081 392 R HA 0.033 4.373 4.340 -0.000 0.000 0.235 392 R C 2.154 178.275 176.300 -0.299 0.000 1.131 392 R CA 1.561 57.449 56.100 -0.353 0.000 0.960 392 R CB -0.728 29.445 30.300 -0.213 0.000 0.856 392 R HN 0.769 nan 8.270 nan 0.000 0.436 393 A N 0.404 123.068 122.820 -0.261 0.000 2.238 393 A HA -0.015 4.305 4.320 -0.000 0.000 0.208 393 A C 0.721 178.184 177.584 -0.202 0.000 1.177 393 A CA 0.321 52.245 52.037 -0.189 0.000 0.804 393 A CB -0.187 18.731 19.000 -0.136 0.000 0.823 393 A HN 0.380 nan 8.150 nan 0.000 0.482 394 N N -0.251 118.268 118.700 -0.302 0.000 2.697 394 N HA 0.125 4.865 4.740 -0.000 0.000 0.253 394 N C -2.405 172.879 175.510 -0.377 0.000 1.604 394 N CA -1.047 51.845 53.050 -0.263 0.000 0.772 394 N CB 1.136 39.503 38.487 -0.199 0.000 1.267 394 N HN -0.007 nan 8.380 nan 0.000 0.510 395 P HA -0.112 nan 4.420 nan 0.000 0.229 395 P C 0.975 178.290 177.300 0.024 0.000 1.150 395 P CA 0.663 63.646 63.100 -0.196 0.000 0.765 395 P CB 0.399 32.045 31.700 -0.090 0.000 0.783 396 L N -1.290 119.906 121.223 -0.046 0.000 2.509 396 L HA 0.191 4.531 4.340 -0.000 0.000 0.222 396 L C 1.569 178.441 176.870 0.002 0.000 1.123 396 L CA -0.072 54.757 54.840 -0.019 0.000 0.856 396 L CB -0.849 41.177 42.059 -0.054 0.000 0.985 396 L HN -0.044 nan 8.230 nan 0.000 0.456 397 G N 0.253 109.058 108.800 0.008 0.000 2.321 397 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.237 397 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.237 397 G C 0.642 175.555 174.900 0.022 0.000 1.282 397 G CA -0.206 44.910 45.100 0.027 0.000 0.886 397 G HN 0.287 nan 8.290 nan 0.000 0.528 398 R N 0.909 121.404 120.500 -0.008 0.000 2.334 398 R HA 0.083 4.423 4.340 -0.000 0.000 0.216 398 R C -0.493 175.755 176.300 -0.087 0.000 0.905 398 R CA -0.191 55.862 56.100 -0.079 0.000 1.064 398 R CB 0.382 30.663 30.300 -0.033 0.000 1.046 398 R HN 0.600 nan 8.270 nan 0.000 0.508 399 Y N 0.869 121.075 120.300 -0.157 0.000 2.341 399 Y HA 0.390 4.940 4.550 -0.000 0.000 0.337 399 Y C -0.864 174.878 175.900 -0.263 0.000 1.014 399 Y CA -0.985 56.987 58.100 -0.213 0.000 1.111 399 Y CB 0.865 39.223 38.460 -0.170 0.000 1.194 399 Y HN -0.161 nan 8.280 nan 0.000 0.462 400 L N 6.318 126.879 121.223 -1.103 0.000 2.313 400 L HA 0.366 4.706 4.340 -0.000 0.000 0.283 400 L C -0.693 175.596 176.870 -0.969 0.000 1.013 400 L CA -0.771 53.521 54.840 -0.913 0.000 0.816 400 L CB 1.119 42.518 42.059 -1.100 0.000 1.236 400 L HN 0.577 nan 8.230 nan 0.000 0.419 401 H N 4.312 123.205 119.070 -0.295 0.000 2.690 401 H HA 0.151 4.707 4.556 -0.000 0.000 0.289 401 H C 0.085 175.352 175.328 -0.101 0.000 1.089 401 H CA -0.089 55.908 56.048 -0.085 0.000 1.299 401 H CB 0.906 30.712 29.762 0.073 0.000 1.405 401 H HN 0.548 nan 8.280 nan 0.000 0.463 402 F N 1.291 121.295 119.950 0.090 0.000 2.743 402 F HA 0.111 4.638 4.527 -0.000 0.000 0.297 402 F C 1.884 177.656 175.800 -0.046 0.000 1.131 402 F CA 0.806 58.830 58.000 0.040 0.000 1.426 402 F CB 0.276 39.282 39.000 0.010 0.000 1.116 402 F HN 0.805 nan 8.300 nan 0.000 0.583 403 G N 0.106 108.983 108.800 0.128 0.000 2.750 403 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.228 403 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.228 403 G C -0.343 174.552 174.900 -0.008 0.000 1.367 403 G CA -0.558 44.549 45.100 0.013 0.000 0.871 403 G HN 0.027 nan 8.290 nan 0.000 0.560 404 V N 1.282 121.150 119.914 -0.077 0.000 1.973 404 V HA 0.359 4.479 4.120 -0.000 0.000 0.255 404 V C 1.064 177.076 176.094 -0.138 0.000 1.605 404 V CA 1.021 63.234 62.300 -0.144 0.000 1.542 404 V CB -1.006 30.710 31.823 -0.178 0.000 1.504 404 V HN 0.543 nan 8.190 nan 0.000 0.505 405 R N 1.388 121.836 120.500 -0.087 0.000 2.655 405 R HA 0.285 4.625 4.340 -0.000 0.000 0.261 405 R C 0.305 176.583 176.300 -0.037 0.000 1.624 405 R CA -0.385 55.684 56.100 -0.052 0.000 1.655 405 R CB 0.821 31.103 30.300 -0.030 0.000 1.356 405 R HN 0.374 nan 8.270 nan 0.000 0.684 406 E N 0.296 120.460 120.200 -0.059 0.000 2.058 406 E HA -0.225 4.124 4.350 -0.000 0.000 0.194 406 E C 1.490 178.136 176.600 0.077 0.000 0.997 406 E CA 1.527 57.921 56.400 -0.010 0.000 0.801 406 E CB -0.102 29.608 29.700 0.017 0.000 0.746 406 E HN 0.531 nan 8.360 nan 0.000 0.450 407 H N -0.074 119.004 119.070 0.013 0.000 2.293 407 H HA 0.032 4.588 4.556 -0.000 0.000 0.300 407 H C 0.986 176.305 175.328 -0.015 0.000 1.082 407 H CA 0.496 56.553 56.048 0.016 0.000 1.308 407 H CB 0.041 29.821 29.762 0.029 0.000 1.375 407 H HN 0.223 nan 8.280 nan 0.000 0.495 411 A N 0.873 123.757 122.820 0.106 0.000 1.902 411 A HA 0.220 4.539 4.320 -0.000 0.000 0.217 411 A C 2.307 179.932 177.584 0.068 0.000 1.181 411 A CA 1.703 53.787 52.037 0.078 0.000 0.623 411 A CB -0.464 18.547 19.000 0.018 0.000 0.818 411 A HN 0.447 nan 8.150 nan 0.000 0.443 412 I N -0.393 120.221 120.570 0.073 0.000 2.252 412 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 412 I C 2.342 178.505 176.117 0.076 0.000 1.102 412 I CA 0.870 62.248 61.300 0.129 0.000 1.385 412 I CB -0.288 37.909 38.000 0.328 0.000 1.064 412 I HN 0.285 nan 8.210 nan 0.000 0.414 413 L N 0.523 121.754 121.223 0.012 0.000 2.012 413 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 413 L C 2.327 179.187 176.870 -0.016 0.000 1.073 413 L CA 1.342 56.158 54.840 -0.039 0.000 0.748 413 L CB -0.785 41.188 42.059 -0.143 0.000 0.891 413 L HN 0.338 nan 8.230 nan 0.000 0.431 414 N N 0.364 119.082 118.700 0.031 0.000 2.166 414 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 414 N C 1.830 177.368 175.510 0.048 0.000 1.019 414 N CA 1.551 54.631 53.050 0.051 0.000 0.856 414 N CB -0.690 37.854 38.487 0.095 0.000 0.993 414 N HN 0.376 nan 8.380 nan 0.000 0.426 415 G N 1.223 110.053 108.800 0.051 0.000 2.418 415 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 415 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 415 G C 1.693 176.628 174.900 0.059 0.000 1.158 415 G CA 0.327 45.460 45.100 0.055 0.000 0.771 415 G HN 0.230 nan 8.290 nan 0.000 0.545 416 L N 0.072 121.309 121.223 0.024 0.000 2.093 416 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 416 L C 2.610 179.535 176.870 0.090 0.000 1.085 416 L CA 1.166 56.014 54.840 0.013 0.000 0.755 416 L CB -0.375 41.631 42.059 -0.089 0.000 0.904 416 L HN 0.247 nan 8.230 nan 0.000 0.435 417 N N -0.559 118.175 118.700 0.058 0.000 2.331 417 N HA -0.081 4.658 4.740 -0.000 0.000 0.180 417 N C 1.871 177.424 175.510 0.072 0.000 1.019 417 N CA 0.498 53.587 53.050 0.064 0.000 0.881 417 N CB 0.107 38.607 38.487 0.022 0.000 0.972 417 N HN 0.240 nan 8.380 nan 0.000 0.435 418 L N 0.001 121.268 121.223 0.073 0.000 2.179 418 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 418 L C 2.395 179.299 176.870 0.057 0.000 1.096 418 L CA 0.748 55.623 54.840 0.057 0.000 0.779 418 L CB -0.379 41.711 42.059 0.052 0.000 0.922 418 L HN 0.422 nan 8.230 nan 0.000 0.443 419 H N 0.817 119.895 119.070 0.013 0.000 2.387 419 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 419 H C 0.653 175.965 175.328 -0.026 0.000 1.099 419 H CA 1.271 57.319 56.048 0.000 0.000 1.315 419 H CB 0.169 29.953 29.762 0.037 0.000 1.380 419 H HN 0.310 nan 8.280 nan 0.000 0.513 420 G N -2.162 106.707 108.800 0.116 0.000 3.055 420 G HA2 0.168 4.128 3.960 -0.000 0.000 0.686 420 G HA3 0.168 4.128 3.960 -0.000 0.000 0.686 420 G C 0.663 175.612 174.900 0.082 0.000 1.087 420 G CA 0.297 45.414 45.100 0.029 0.000 0.779 420 G HN 0.979 nan 8.290 nan 0.000 0.599 421 G N -0.106 108.662 108.800 -0.054 0.000 2.307 421 G HA2 0.035 3.995 3.960 -0.000 0.000 0.210 421 G HA3 0.035 3.995 3.960 -0.000 0.000 0.210 421 G C 0.240 174.860 174.900 -0.467 0.000 1.005 421 G CA 0.802 45.739 45.100 -0.273 0.000 0.634 421 G HN 1.789 nan 8.290 nan 0.000 0.496 422 Y N -0.668 119.658 120.300 0.044 0.000 2.605 422 Y HA 0.902 5.452 4.550 -0.000 0.000 0.343 422 Y C 0.128 176.038 175.900 0.017 0.000 1.036 422 Y CA -1.400 56.710 58.100 0.016 0.000 1.065 422 Y CB 1.773 40.213 38.460 -0.034 0.000 1.288 422 Y HN 0.181 nan 8.280 nan 0.000 0.481 423 R N 1.246 121.880 120.500 0.224 0.000 2.502 423 R HA 0.853 5.193 4.340 -0.000 0.000 0.298 423 R C -1.829 174.545 176.300 0.123 0.000 1.018 423 R CA -0.623 55.562 56.100 0.142 0.000 0.899 423 R CB 1.047 31.429 30.300 0.137 0.000 1.181 423 R HN 0.795 nan 8.270 nan 0.000 0.444 424 A N 3.715 126.570 122.820 0.058 0.000 2.374 424 A HA 0.764 5.084 4.320 -0.000 0.000 0.317 424 A C -1.640 175.949 177.584 0.009 0.000 1.094 424 A CA -0.671 51.347 52.037 -0.031 0.000 0.765 424 A CB 0.913 19.841 19.000 -0.121 0.000 1.268 424 A HN 0.726 nan 8.150 nan 0.000 0.438 425 Y N -0.975 119.316 120.300 -0.015 0.000 2.581 425 Y HA 0.869 5.419 4.550 -0.000 0.000 0.345 425 Y C -0.021 175.867 175.900 -0.020 0.000 1.036 425 Y CA -1.007 57.071 58.100 -0.037 0.000 1.042 425 Y CB 1.336 39.894 38.460 0.164 0.000 1.289 425 Y HN 1.037 nan 8.280 nan 0.000 0.471 426 G N -0.323 108.519 108.800 0.071 0.000 2.706 426 G HA2 0.571 4.531 3.960 -0.000 0.000 0.297 426 G HA3 0.571 4.531 3.960 -0.000 0.000 0.297 426 G C -1.394 173.558 174.900 0.085 0.000 1.403 426 G CA -0.569 44.545 45.100 0.024 0.000 0.954 426 G HN 1.098 nan 8.290 nan 0.000 0.500 427 G N -0.563 108.316 108.800 0.132 0.000 2.473 427 G HA2 0.938 4.898 3.960 -0.000 0.000 0.321 427 G HA3 0.938 4.898 3.960 -0.000 0.000 0.321 427 G C -0.276 174.681 174.900 0.094 0.000 1.200 427 G CA 0.044 45.210 45.100 0.110 0.000 0.963 427 G HN 1.423 nan 8.290 nan 0.000 0.483 428 T N -2.413 112.223 114.554 0.137 0.000 2.677 428 T HA 0.546 4.896 4.350 -0.000 0.000 0.305 428 T C -1.142 173.741 174.700 0.305 0.000 1.569 428 T CA -0.912 61.269 62.100 0.134 0.000 0.984 428 T CB 0.874 69.871 68.868 0.216 0.000 1.629 428 T HN 0.242 nan 8.240 nan 0.000 0.494 429 F N 1.285 121.330 119.950 0.158 0.000 2.418 429 F HA 0.462 4.989 4.527 -0.000 0.000 0.341 429 F C 1.693 177.472 175.800 -0.035 0.000 1.120 429 F CA -1.975 55.993 58.000 -0.054 0.000 1.232 429 F CB 0.387 39.133 39.000 -0.424 0.000 1.175 429 F HN 0.574 nan 8.300 nan 0.000 0.569 430 L N 3.074 124.375 121.223 0.130 0.000 2.043 430 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 430 L C 2.078 178.660 176.870 -0.480 0.000 1.075 430 L CA 1.528 56.248 54.840 -0.200 0.000 0.752 430 L CB -0.866 41.094 42.059 -0.165 0.000 0.891 430 L HN 0.526 nan 8.230 nan 0.000 0.432 431 V N -0.679 118.888 119.914 -0.578 0.000 2.469 431 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 431 V C 1.989 177.920 176.094 -0.272 0.000 1.064 431 V CA 1.757 63.602 62.300 -0.758 0.000 1.066 431 V CB -0.601 30.790 31.823 -0.720 0.000 0.667 431 V HN 0.467 nan 8.190 nan 0.000 0.461 432 F N 1.032 120.973 119.950 -0.014 0.000 2.804 432 F HA 0.150 4.677 4.527 -0.000 0.000 0.303 432 F C 2.448 178.300 175.800 0.087 0.000 1.154 432 F CA 0.505 58.554 58.000 0.081 0.000 1.401 432 F CB -1.336 37.634 39.000 -0.050 0.000 1.106 432 F HN 0.365 nan 8.300 nan 0.000 0.568 433 S N -1.195 114.520 115.700 0.025 0.000 2.474 433 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 433 S C 1.539 176.135 174.600 -0.006 0.000 0.997 433 S CA 1.032 59.152 58.200 -0.134 0.000 0.949 433 S CB -0.301 62.414 63.200 -0.808 0.000 0.766 433 S HN 0.237 nan 8.310 nan 0.000 0.517 434 D N 0.651 121.120 120.400 0.116 0.000 2.219 434 D HA 0.064 4.704 4.640 -0.000 0.000 0.205 434 D C 0.439 176.731 176.300 -0.012 0.000 0.970 434 D CA 0.737 54.770 54.000 0.054 0.000 0.851 434 D CB -0.197 40.669 40.800 0.111 0.000 0.943 434 D HN 0.507 nan 8.370 nan 0.000 0.488 438 P HA -0.062 nan 4.420 nan 0.000 0.216 438 P C 1.063 178.396 177.300 0.055 0.000 1.150 438 P CA 2.091 65.178 63.100 -0.021 0.000 0.837 438 P CB 0.073 31.825 31.700 0.086 0.000 0.786 439 A N -0.886 121.987 122.820 0.089 0.000 1.929 439 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 439 A C 2.171 179.804 177.584 0.082 0.000 1.176 439 A CA 1.086 53.207 52.037 0.139 0.000 0.628 439 A CB -1.437 17.698 19.000 0.224 0.000 0.816 439 A HN 0.094 nan 8.150 nan 0.000 0.444 440 I N -0.976 119.531 120.570 -0.105 0.000 2.226 440 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 440 I C 2.714 178.822 176.117 -0.014 0.000 1.100 440 I CA 1.653 62.817 61.300 -0.226 0.000 1.374 440 I CB -0.332 37.406 38.000 -0.438 0.000 1.057 440 I HN 0.349 nan 8.210 nan 0.000 0.413 441 R N 0.885 121.372 120.500 -0.023 0.000 2.092 441 R HA -0.182 4.158 4.340 -0.000 0.000 0.231 441 R C 2.355 178.680 176.300 0.042 0.000 1.119 441 R CA 1.299 57.404 56.100 0.008 0.000 0.970 441 R CB -0.184 30.108 30.300 -0.012 0.000 0.864 441 R HN 0.197 nan 8.270 nan 0.000 0.440 442 L N 0.606 121.862 121.223 0.056 0.000 2.083 442 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 442 L C 2.249 179.173 176.870 0.089 0.000 1.083 442 L CA 1.997 56.878 54.840 0.068 0.000 0.752 442 L CB -0.481 41.624 42.059 0.076 0.000 0.899 442 L HN 0.252 nan 8.230 nan 0.000 0.433 443 A N -0.929 121.970 122.820 0.132 0.000 1.898 443 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 443 A C 2.437 180.090 177.584 0.115 0.000 1.181 443 A CA 1.521 53.648 52.037 0.149 0.000 0.620 443 A CB -1.001 18.156 19.000 0.261 0.000 0.819 443 A HN 0.487 nan 8.150 nan 0.000 0.442 444 A N -0.437 122.450 122.820 0.111 0.000 1.933 444 A HA 0.152 4.472 4.320 -0.000 0.000 0.218 444 A C 1.366 178.985 177.584 0.057 0.000 1.175 444 A CA 0.712 52.800 52.037 0.085 0.000 0.628 444 A CB -0.525 18.521 19.000 0.077 0.000 0.814 444 A HN 0.466 nan 8.150 nan 0.000 0.444 448 V N 2.475 122.414 119.914 0.042 0.000 2.461 448 V HA 0.333 4.453 4.120 -0.000 0.000 0.275 448 V C -1.346 174.761 176.094 0.021 0.000 1.047 448 V CA -1.420 60.901 62.300 0.034 0.000 0.955 448 V CB 1.675 33.527 31.823 0.048 0.000 0.988 448 V HN 0.213 nan 8.190 nan 0.000 0.471 449 P HA 0.081 nan 4.420 nan 0.000 0.237 449 P C 0.266 177.533 177.300 -0.056 0.000 1.723 449 P CA -0.177 62.909 63.100 -0.024 0.000 0.882 449 P CB -0.369 31.317 31.700 -0.023 0.000 1.810 450 T N 0.392 114.888 114.554 -0.096 0.000 2.930 450 T HA 0.152 4.502 4.350 -0.000 0.000 0.306 450 T C 0.503 174.951 174.700 -0.421 0.000 1.045 450 T CA 0.250 62.180 62.100 -0.283 0.000 1.134 450 T CB 0.758 69.373 68.868 -0.422 0.000 0.961 450 T HN -0.082 nan 8.240 nan 0.000 0.545 451 V N 4.652 124.318 119.914 -0.413 0.000 2.347 451 V HA 0.402 4.522 4.120 -0.000 0.000 0.280 451 V C -0.619 175.178 176.094 -0.496 0.000 1.021 451 V CA -0.745 61.356 62.300 -0.332 0.000 0.847 451 V CB 0.526 32.280 31.823 -0.115 0.000 0.990 451 V HN 0.713 nan 8.190 nan 0.000 0.444 452 F N 3.976 123.826 119.950 -0.167 0.000 2.385 452 F HA 0.495 5.022 4.527 -0.000 0.000 0.360 452 F C 0.245 175.660 175.800 -0.642 0.000 1.122 452 F CA -0.750 57.003 58.000 -0.411 0.000 1.090 452 F CB 1.551 40.297 39.000 -0.423 0.000 1.150 452 F HN 0.178 nan 8.300 nan 0.000 0.472 453 V N 5.075 124.753 119.914 -0.394 0.000 2.364 453 V HA 0.291 4.411 4.120 -0.000 0.000 0.272 453 V C -0.578 175.301 176.094 -0.357 0.000 1.036 453 V CA -0.617 61.521 62.300 -0.270 0.000 0.880 453 V CB 0.231 32.081 31.823 0.045 0.000 0.991 453 V HN 0.398 nan 8.190 nan 0.000 0.460 454 F N 3.235 123.269 119.950 0.141 0.000 2.427 454 F HA 0.603 5.129 4.527 -0.000 0.000 0.348 454 F C 0.744 176.634 175.800 0.150 0.000 1.125 454 F CA -0.653 57.433 58.000 0.143 0.000 0.989 454 F CB 1.898 40.955 39.000 0.095 0.000 1.165 454 F HN 0.568 nan 8.300 nan 0.000 0.442 455 T N -1.672 113.126 114.554 0.407 0.000 2.889 455 T HA 0.428 4.778 4.350 -0.000 0.000 0.278 455 T C -0.443 174.487 174.700 0.383 0.000 0.995 455 T CA -0.574 61.757 62.100 0.384 0.000 0.966 455 T CB 0.668 69.842 68.868 0.510 0.000 1.237 455 T HN 0.641 nan 8.240 nan 0.000 0.591 456 H N 0.318 119.356 119.070 -0.053 0.000 2.692 456 H HA -0.088 4.468 4.556 -0.000 0.000 0.316 456 H C 0.676 175.895 175.328 -0.183 0.000 1.176 456 H CA 0.886 56.791 56.048 -0.239 0.000 1.142 456 H CB -1.847 27.543 29.762 -0.620 0.000 1.475 456 H HN 0.824 nan 8.280 nan 0.000 0.423 457 D N -0.802 119.575 120.400 -0.038 0.000 2.378 457 D HA -0.008 4.632 4.640 -0.000 0.000 0.227 457 D C 0.780 177.036 176.300 -0.074 0.000 1.012 457 D CA 0.934 54.909 54.000 -0.043 0.000 0.905 457 D CB 0.249 41.045 40.800 -0.007 0.000 0.895 457 D HN 0.530 nan 8.370 nan 0.000 0.532 458 S N -1.075 114.564 115.700 -0.101 0.000 2.655 458 S HA 0.250 4.720 4.470 -0.000 0.000 0.266 458 S C 1.120 175.683 174.600 -0.061 0.000 1.149 458 S CA -0.414 57.740 58.200 -0.076 0.000 0.818 458 S CB -0.106 63.046 63.200 -0.080 0.000 1.130 458 S HN 0.031 nan 8.310 nan 0.000 0.476 459 I N -0.631 119.938 120.570 -0.000 0.000 2.530 459 I HA 0.070 4.240 4.170 -0.000 0.000 0.257 459 I C 2.214 178.372 176.117 0.069 0.000 1.179 459 I CA 1.581 62.917 61.300 0.060 0.000 1.440 459 I CB -0.957 37.118 38.000 0.125 0.000 1.087 459 I HN 0.674 nan 8.210 nan 0.000 0.440 460 A N 2.370 125.203 122.820 0.021 0.000 2.178 460 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 460 A C 2.180 179.605 177.584 -0.265 0.000 1.157 460 A CA 1.550 53.520 52.037 -0.112 0.000 0.689 460 A CB -0.813 17.888 19.000 -0.499 0.000 0.787 460 A HN 0.681 nan 8.150 nan 0.000 0.465 461 L N -3.261 117.838 121.223 -0.207 0.000 2.362 461 L HA 0.376 4.716 4.340 -0.000 0.000 0.219 461 L C 1.310 178.099 176.870 -0.135 0.000 1.134 461 L CA 0.935 55.621 54.840 -0.256 0.000 0.807 461 L CB -1.494 40.419 42.059 -0.244 0.000 0.927 461 L HN 0.723 nan 8.230 nan 0.000 0.447 462 G N 0.007 108.787 108.800 -0.033 0.000 2.520 462 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.248 462 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.248 462 G C 0.522 175.429 174.900 0.012 0.000 1.161 462 G CA 0.266 45.381 45.100 0.024 0.000 0.946 462 G HN 0.350 nan 8.290 nan 0.000 0.565 463 E N 0.927 121.130 120.200 0.005 0.000 2.273 463 E HA -0.018 4.332 4.350 -0.000 0.000 0.198 463 E C 1.834 178.414 176.600 -0.032 0.000 1.002 463 E CA 1.405 57.803 56.400 -0.003 0.000 0.828 463 E CB -0.136 29.564 29.700 -0.000 0.000 0.747 463 E HN 0.455 nan 8.360 nan 0.000 0.491 464 D N -0.175 120.178 120.400 -0.077 0.000 2.263 464 D HA -0.004 4.635 4.640 -0.000 0.000 0.208 464 D C 1.059 177.301 176.300 -0.095 0.000 0.971 464 D CA 1.328 55.221 54.000 -0.177 0.000 0.867 464 D CB -0.229 40.349 40.800 -0.371 0.000 0.929 464 D HN 0.251 nan 8.370 nan 0.000 0.492 465 G N 0.113 108.908 108.800 -0.009 0.000 2.728 465 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.294 465 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.294 465 G C -1.827 173.130 174.900 0.096 0.000 1.342 465 G CA -0.210 44.918 45.100 0.048 0.000 0.866 465 G HN -0.043 nan 8.290 nan 0.000 0.534 466 P HA -0.198 nan 4.420 nan 0.000 0.217 466 P C 1.953 179.300 177.300 0.078 0.000 1.151 466 P CA 3.224 66.388 63.100 0.106 0.000 0.849 466 P CB -0.490 31.263 31.700 0.089 0.000 0.787 467 T N -4.780 109.843 114.554 0.114 0.000 3.007 467 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 467 T C 1.363 176.140 174.700 0.129 0.000 1.107 467 T CA 1.267 63.445 62.100 0.131 0.000 1.118 467 T CB -1.008 67.991 68.868 0.218 0.000 0.889 467 T HN 0.206 nan 8.240 nan 0.000 0.506 468 H N 0.319 119.392 119.070 0.005 0.000 2.874 468 H HA 0.409 4.965 4.556 -0.000 0.000 0.264 468 H C 0.350 175.577 175.328 -0.169 0.000 1.007 468 H CA -0.261 55.725 56.048 -0.104 0.000 1.207 468 H CB 0.355 30.076 29.762 -0.069 0.000 1.487 468 H HN 0.460 nan 8.280 nan 0.000 0.505 469 Q N 1.879 121.699 119.800 0.034 0.000 2.322 469 Q HA 0.255 4.594 4.340 -0.000 0.000 0.256 469 Q C -2.489 173.518 176.000 0.012 0.000 0.960 469 Q CA -2.186 53.620 55.803 0.006 0.000 0.934 469 Q CB 1.505 30.284 28.738 0.068 0.000 1.200 469 Q HN 0.131 nan 8.270 nan 0.000 0.435 470 P HA -0.038 nan 4.420 nan 0.000 0.269 470 P C -0.359 177.033 177.300 0.153 0.000 1.215 470 P CA 0.029 63.077 63.100 -0.087 0.000 0.780 470 P CB 1.045 32.598 31.700 -0.246 0.000 0.898 471 V N 1.009 121.119 119.914 0.326 0.000 3.837 471 V HA -0.001 4.119 4.120 -0.000 0.000 0.182 471 V C 1.825 177.991 176.094 0.120 0.000 1.356 471 V CA 0.422 62.823 62.300 0.169 0.000 1.260 471 V CB -0.472 31.409 31.823 0.095 0.000 1.287 471 V HN 0.555 nan 8.190 nan 0.000 0.572 472 E N 0.442 120.683 120.200 0.069 0.000 2.435 472 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 472 E C 1.589 178.103 176.600 -0.143 0.000 1.029 472 E CA 1.067 57.422 56.400 -0.076 0.000 0.865 472 E CB -0.302 29.306 29.700 -0.153 0.000 0.833 472 E HN 0.766 nan 8.360 nan 0.000 0.510 473 H N 1.554 120.589 119.070 -0.058 0.000 2.319 473 H HA 0.037 4.593 4.556 -0.000 0.000 0.299 473 H C 1.282 176.532 175.328 -0.130 0.000 1.092 473 H CA 1.092 57.074 56.048 -0.110 0.000 1.302 473 H CB -0.352 29.324 29.762 -0.142 0.000 1.373 473 H HN 0.042 nan 8.280 nan 0.000 0.497 477 L N 1.424 122.577 121.223 -0.116 0.000 2.162 477 L HA 0.292 4.631 4.340 -0.000 0.000 0.205 477 L C 2.830 179.656 176.870 -0.073 0.000 1.086 477 L CA 0.998 55.788 54.840 -0.085 0.000 0.778 477 L CB -0.378 41.639 42.059 -0.069 0.000 0.928 477 L HN 0.259 nan 8.230 nan 0.000 0.446 478 R N 0.359 120.783 120.500 -0.127 0.000 2.193 478 R HA -0.012 4.327 4.340 -0.000 0.000 0.229 478 R C 1.094 177.349 176.300 -0.075 0.000 1.110 478 R CA 0.598 56.614 56.100 -0.140 0.000 0.988 478 R CB -0.288 29.820 30.300 -0.319 0.000 0.871 478 R HN 0.295 nan 8.270 nan 0.000 0.458 482 N N 0.150 118.913 118.700 0.105 0.000 2.727 482 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 482 N C -1.270 174.327 175.510 0.144 0.000 1.048 482 N CA 0.828 53.949 53.050 0.120 0.000 0.714 482 N CB -0.921 37.610 38.487 0.074 0.000 0.959 482 N HN 0.498 nan 8.380 nan 0.000 0.544 483 L N 0.774 122.117 121.223 0.200 0.000 2.441 483 L HA 0.571 4.910 4.340 -0.000 0.000 0.270 483 L C -0.960 176.122 176.870 0.354 0.000 0.973 483 L CA -0.585 54.390 54.840 0.226 0.000 0.842 483 L CB 0.842 42.993 42.059 0.154 0.000 1.239 483 L HN 0.104 nan 8.230 nan 0.000 0.406 484 F N 4.550 124.545 119.950 0.075 0.000 2.410 484 F HA 0.526 5.053 4.527 -0.000 0.000 0.348 484 F C 0.080 175.919 175.800 0.065 0.000 1.106 484 F CA -0.828 57.213 58.000 0.069 0.000 1.163 484 F CB 1.573 40.607 39.000 0.057 0.000 1.129 484 F HN 0.155 nan 8.300 nan 0.000 0.516 485 V N 6.409 126.406 119.914 0.139 0.000 2.376 485 V HA 0.347 4.467 4.120 -0.000 0.000 0.287 485 V C -0.134 175.990 176.094 0.050 0.000 1.015 485 V CA -0.550 61.799 62.300 0.082 0.000 0.834 485 V CB 1.319 33.139 31.823 -0.005 0.000 1.001 485 V HN 0.484 nan 8.190 nan 0.000 0.428 486 I N 5.006 125.619 120.570 0.072 0.000 2.389 486 I HA 0.571 4.741 4.170 -0.000 0.000 0.288 486 I C 0.192 176.338 176.117 0.048 0.000 0.999 486 I CA -0.560 60.776 61.300 0.059 0.000 1.129 486 I CB 1.692 39.726 38.000 0.057 0.000 1.288 486 I HN 0.469 nan 8.210 nan 0.000 0.444 487 R N 8.203 128.739 120.500 0.059 0.000 2.477 487 R HA 0.361 4.701 4.340 -0.000 0.000 0.285 487 R C -2.548 173.794 176.300 0.071 0.000 1.415 487 R CA -1.664 54.472 56.100 0.059 0.000 1.446 487 R CB 0.942 31.278 30.300 0.060 0.000 1.110 487 R HN 0.316 nan 8.270 nan 0.000 0.590 488 P HA -0.032 nan 4.420 nan 0.000 0.266 488 P C 0.088 177.438 177.300 0.084 0.000 1.195 488 P CA 0.320 63.478 63.100 0.097 0.000 0.768 488 P CB 1.486 33.245 31.700 0.099 0.000 0.838 489 A N 2.985 125.861 122.820 0.094 0.000 2.016 489 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 489 A C 0.898 178.583 177.584 0.169 0.000 1.162 489 A CA 1.283 53.357 52.037 0.062 0.000 0.662 489 A CB -0.397 18.574 19.000 -0.049 0.000 0.812 489 A HN 0.748 nan 8.150 nan 0.000 0.450 490 D N -4.211 116.275 120.400 0.143 0.000 2.825 490 D HA 0.433 5.073 4.640 -0.000 0.000 0.327 490 D C 0.862 177.118 176.300 -0.072 0.000 1.277 490 D CA 0.101 54.156 54.000 0.093 0.000 0.950 490 D CB 0.769 41.684 40.800 0.191 0.000 1.438 490 D HN 0.044 nan 8.370 nan 0.000 0.526 491 A N -0.474 122.140 122.820 -0.343 0.000 1.917 491 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 491 A C 1.931 179.181 177.584 -0.557 0.000 1.182 491 A CA 1.654 53.203 52.037 -0.813 0.000 0.633 491 A CB -1.246 16.625 19.000 -1.882 0.000 0.819 491 A HN 0.545 nan 8.150 nan 0.000 0.448 492 Y N -0.213 120.044 120.300 -0.071 0.000 2.220 492 Y HA -0.093 4.456 4.550 -0.000 0.000 0.291 492 Y C 2.485 178.563 175.900 0.297 0.000 1.129 492 Y CA 1.344 59.546 58.100 0.171 0.000 1.161 492 Y CB -0.480 38.120 38.460 0.232 0.000 0.997 492 Y HN 0.398 nan 8.280 nan 0.000 0.522 493 E N -0.603 119.832 120.200 0.392 0.000 2.110 493 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 493 E C 2.007 178.781 176.600 0.290 0.000 0.988 493 E CA 1.689 58.313 56.400 0.374 0.000 0.804 493 E CB -0.216 29.649 29.700 0.274 0.000 0.745 493 E HN 0.421 nan 8.360 nan 0.000 0.458 494 T N 1.042 115.715 114.554 0.198 0.000 2.759 494 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 494 T C 1.448 176.326 174.700 0.297 0.000 1.042 494 T CA 1.201 63.411 62.100 0.183 0.000 1.140 494 T CB -0.353 68.588 68.868 0.122 0.000 0.864 494 T HN 0.201 nan 8.240 nan 0.000 0.455 495 F N 1.032 121.061 119.950 0.132 0.000 2.102 495 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 495 F C 1.848 177.673 175.800 0.042 0.000 1.105 495 F CA 0.909 58.952 58.000 0.072 0.000 1.239 495 F CB -0.593 38.350 39.000 -0.094 0.000 0.991 495 F HN 0.143 nan 8.300 nan 0.000 0.474 496 Y N 0.351 120.695 120.300 0.073 0.000 2.421 496 Y HA 0.029 4.579 4.550 -0.000 0.000 0.292 496 Y C 2.558 178.431 175.900 -0.045 0.000 1.136 496 Y CA 0.795 58.841 58.100 -0.089 0.000 1.255 496 Y CB -1.304 37.192 38.460 0.061 0.000 0.991 496 Y HN 0.185 nan 8.280 nan 0.000 0.552 497 A N -0.870 122.035 122.820 0.142 0.000 1.902 497 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 497 A C 1.902 179.452 177.584 -0.057 0.000 1.181 497 A CA 1.441 53.502 52.037 0.040 0.000 0.623 497 A CB -1.196 17.797 19.000 -0.011 0.000 0.818 497 A HN 0.636 nan 8.150 nan 0.000 0.443 498 W N 0.108 121.365 121.300 -0.072 0.000 2.388 498 W HA -0.042 4.618 4.660 -0.000 0.000 0.294 498 W C 2.067 178.502 176.519 -0.139 0.000 1.212 498 W CA 1.061 58.339 57.345 -0.112 0.000 1.271 498 W CB -0.223 29.157 29.460 -0.133 0.000 1.126 498 W HN 0.225 nan 8.180 nan 0.000 0.535 499 L N -0.870 120.350 121.223 -0.005 0.000 2.046 499 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 499 L C 2.183 179.070 176.870 0.028 0.000 1.077 499 L CA 0.899 55.714 54.840 -0.043 0.000 0.747 499 L CB -1.409 40.563 42.059 -0.145 0.000 0.896 499 L HN -0.157 nan 8.230 nan 0.000 0.432 500 V N 0.383 120.326 119.914 0.048 0.000 2.255 500 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 500 V C 2.818 178.931 176.094 0.031 0.000 1.051 500 V CA 2.025 64.368 62.300 0.073 0.000 1.018 500 V CB -0.997 30.907 31.823 0.135 0.000 0.641 500 V HN 0.502 nan 8.190 nan 0.000 0.445 501 A N -0.322 122.500 122.820 0.003 0.000 1.908 501 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 501 A C 2.212 179.796 177.584 0.000 0.000 1.181 501 A CA 1.999 54.010 52.037 -0.043 0.000 0.627 501 A CB -0.580 18.318 19.000 -0.169 0.000 0.818 501 A HN 0.521 nan 8.150 nan 0.000 0.445 502 L N -1.192 120.074 121.223 0.071 0.000 2.093 502 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 502 L C 2.779 179.671 176.870 0.036 0.000 1.085 502 L CA 1.246 56.138 54.840 0.086 0.000 0.755 502 L CB -0.454 41.679 42.059 0.123 0.000 0.904 502 L HN 0.331 nan 8.230 nan 0.000 0.435 503 R N -0.016 120.495 120.500 0.020 0.000 2.193 503 R HA -0.034 4.306 4.340 -0.000 0.000 0.213 503 R C 1.157 177.438 176.300 -0.032 0.000 1.055 503 R CA 0.069 56.171 56.100 0.004 0.000 0.995 503 R CB -0.195 30.113 30.300 0.013 0.000 0.893 503 R HN 0.234 nan 8.270 nan 0.000 0.459 504 R N 2.254 122.710 120.500 -0.072 0.000 2.288 504 R HA 0.005 4.345 4.340 -0.000 0.000 0.330 504 R C 0.225 176.455 176.300 -0.116 0.000 1.069 504 R CA 0.084 56.090 56.100 -0.158 0.000 0.941 504 R CB 0.493 30.602 30.300 -0.317 0.000 0.998 504 R HN -0.180 nan 8.270 nan 0.000 0.452 505 K N 3.272 123.618 120.400 -0.089 0.000 2.354 505 K HA 0.029 4.349 4.320 -0.000 0.000 0.194 505 K C 0.811 177.379 176.600 -0.054 0.000 1.038 505 K CA 0.393 56.648 56.287 -0.053 0.000 1.052 505 K CB 0.639 33.123 32.500 -0.025 0.000 0.861 505 K HN 0.569 nan 8.250 nan 0.000 0.535 506 E N 0.741 120.891 120.200 -0.084 0.000 2.204 506 E HA 0.003 4.352 4.350 -0.000 0.000 0.194 506 E C 0.914 177.486 176.600 -0.047 0.000 0.989 506 E CA 0.775 57.139 56.400 -0.061 0.000 0.824 506 E CB 0.184 29.841 29.700 -0.072 0.000 0.756 506 E HN 0.341 nan 8.360 nan 0.000 0.477 507 G N -0.627 108.129 108.800 -0.073 0.000 2.488 507 G HA2 0.309 4.269 3.960 -0.000 0.000 0.301 507 G HA3 0.309 4.269 3.960 -0.000 0.000 0.301 507 G C -2.981 171.906 174.900 -0.021 0.000 1.339 507 G CA -1.092 43.995 45.100 -0.022 0.000 0.803 507 G HN -0.220 nan 8.290 nan 0.000 0.482 508 P HA 0.374 nan 4.420 nan 0.000 0.272 508 P C -0.584 176.783 177.300 0.112 0.000 1.240 508 P CA 0.292 63.457 63.100 0.108 0.000 0.791 508 P CB 1.176 33.060 31.700 0.308 0.000 0.978 509 T N 0.143 114.763 114.554 0.110 0.000 2.916 509 T HA 0.570 4.919 4.350 -0.000 0.000 0.298 509 T C -0.761 174.031 174.700 0.154 0.000 1.031 509 T CA -0.328 61.846 62.100 0.123 0.000 0.993 509 T CB 1.462 70.336 68.868 0.011 0.000 1.045 509 T HN 0.460 nan 8.240 nan 0.000 0.454 510 A N 3.649 126.594 122.820 0.208 0.000 2.271 510 A HA 0.785 5.105 4.320 -0.000 0.000 0.317 510 A C -0.541 177.108 177.584 0.109 0.000 1.245 510 A CA -0.627 51.559 52.037 0.247 0.000 0.857 510 A CB 0.312 19.557 19.000 0.409 0.000 1.175 510 A HN 0.826 nan 8.150 nan 0.000 0.512 511 L N 3.353 124.563 121.223 -0.022 0.000 2.272 511 L HA 0.450 4.790 4.340 -0.000 0.000 0.289 511 L C -0.766 176.136 176.870 0.054 0.000 1.032 511 L CA -0.774 54.007 54.840 -0.097 0.000 0.810 511 L CB 1.628 43.461 42.059 -0.376 0.000 1.205 511 L HN 0.417 nan 8.230 nan 0.000 0.422 512 V N 5.636 125.600 119.914 0.084 0.000 2.328 512 V HA 0.451 4.571 4.120 -0.000 0.000 0.278 512 V C 0.132 176.275 176.094 0.083 0.000 1.021 512 V CA -0.352 62.029 62.300 0.134 0.000 0.838 512 V CB 1.466 33.357 31.823 0.114 0.000 0.999 512 V HN 0.536 nan 8.190 nan 0.000 0.447 513 L N 3.762 125.046 121.223 0.101 0.000 2.303 513 L HA 0.758 5.098 4.340 -0.000 0.000 0.266 513 L C 0.595 177.480 176.870 0.024 0.000 1.011 513 L CA -0.686 54.192 54.840 0.064 0.000 0.818 513 L CB 2.320 44.434 42.059 0.093 0.000 1.326 513 L HN 0.671 nan 8.230 nan 0.000 0.435 514 T N -2.881 111.648 114.554 -0.042 0.000 2.918 514 T HA 0.326 4.675 4.350 -0.000 0.000 0.283 514 T C 0.627 175.196 174.700 -0.218 0.000 1.001 514 T CA -0.578 61.434 62.100 -0.147 0.000 1.041 514 T CB 2.125 70.879 68.868 -0.190 0.000 1.028 514 T HN 0.731 nan 8.240 nan 0.000 0.511 515 R N 0.437 120.692 120.500 -0.408 0.000 2.105 515 R HA 0.048 4.388 4.340 -0.000 0.000 0.214 515 R C 1.058 177.128 176.300 -0.383 0.000 1.091 515 R CA 0.073 55.833 56.100 -0.566 0.000 1.007 515 R CB -0.003 29.716 30.300 -0.968 0.000 0.912 515 R HN 0.861 nan 8.270 nan 0.000 0.450 516 Q N 1.196 120.728 119.800 -0.447 0.000 2.354 516 Q HA 0.253 4.593 4.340 -0.000 0.000 0.244 516 Q C -1.112 174.695 176.000 -0.322 0.000 0.969 516 Q CA 0.077 55.608 55.803 -0.453 0.000 0.885 516 Q CB 1.156 29.363 28.738 -0.885 0.000 1.241 516 Q HN 0.207 nan 8.270 nan 0.000 0.461 517 A N 2.205 124.888 122.820 -0.229 0.000 2.388 517 A HA 0.510 4.830 4.320 -0.000 0.000 0.257 517 A C 0.079 177.550 177.584 -0.189 0.000 1.095 517 A CA -0.102 51.835 52.037 -0.166 0.000 0.791 517 A CB 0.361 19.300 19.000 -0.102 0.000 1.029 517 A HN 0.873 nan 8.150 nan 0.000 0.489 518 V N -0.379 119.413 119.914 -0.203 0.000 3.040 518 V HA 0.739 4.858 4.120 -0.000 0.000 0.312 518 V C -3.016 172.869 176.094 -0.349 0.000 1.115 518 V CA -2.683 59.438 62.300 -0.298 0.000 0.998 518 V CB 1.461 33.122 31.823 -0.270 0.000 1.042 518 V HN 0.674 nan 8.190 nan 0.000 0.433 519 P HA 0.263 nan 4.420 nan 0.000 0.270 519 P C -0.656 176.558 177.300 -0.143 0.000 1.227 519 P CA -0.008 62.895 63.100 -0.328 0.000 0.788 519 P CB 0.312 31.809 31.700 -0.338 0.000 0.926 520 L N 0.831 122.068 121.223 0.023 0.000 2.360 520 L HA 0.417 4.757 4.340 -0.000 0.000 0.271 520 L C 0.510 177.537 176.870 0.262 0.000 1.057 520 L CA -0.682 54.244 54.840 0.143 0.000 0.803 520 L CB 0.420 42.590 42.059 0.185 0.000 1.207 520 L HN 0.223 nan 8.230 nan 0.000 0.445 521 L N 0.309 121.742 121.223 0.351 0.000 2.492 521 L HA 0.474 4.814 4.340 -0.000 0.000 0.263 521 L C 0.438 177.459 176.870 0.251 0.000 1.062 521 L CA -0.667 54.343 54.840 0.283 0.000 0.817 521 L CB 1.786 44.008 42.059 0.273 0.000 1.441 521 L HN 0.686 nan 8.230 nan 0.000 0.493 522 S N -0.044 115.724 115.700 0.113 0.000 2.562 522 S HA 0.270 4.740 4.470 -0.000 0.000 0.275 522 S C -1.758 172.717 174.600 -0.208 0.000 1.281 522 S CA -1.148 57.025 58.200 -0.044 0.000 1.045 522 S CB 1.244 64.437 63.200 -0.012 0.000 0.962 522 S HN 0.422 nan 8.310 nan 0.000 0.503 523 P HA -0.120 nan 4.420 nan 0.000 0.218 523 P C 0.727 177.971 177.300 -0.095 0.000 1.148 523 P CA 1.227 63.982 63.100 -0.575 0.000 0.822 523 P CB 0.115 31.357 31.700 -0.764 0.000 0.784 524 E N 0.261 120.404 120.200 -0.094 0.000 2.072 524 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 524 E C 2.134 178.699 176.600 -0.058 0.000 0.985 524 E CA 1.147 57.519 56.400 -0.046 0.000 0.801 524 E CB -0.553 29.127 29.700 -0.034 0.000 0.750 524 E HN 0.175 nan 8.360 nan 0.000 0.452 525 K N 0.451 120.840 120.400 -0.018 0.000 2.001 525 K HA 0.033 4.353 4.320 -0.000 0.000 0.208 525 K C 2.139 178.680 176.600 -0.097 0.000 1.048 525 K CA 1.242 57.541 56.287 0.020 0.000 0.932 525 K CB -0.712 31.875 32.500 0.144 0.000 0.715 525 K HN 0.161 nan 8.250 nan 0.000 0.437 526 A N 1.577 124.422 122.820 0.041 0.000 2.084 526 A HA -0.210 4.109 4.320 -0.000 0.000 0.221 526 A C 2.164 179.625 177.584 -0.204 0.000 1.161 526 A CA 1.652 53.745 52.037 0.094 0.000 0.653 526 A CB -0.548 18.680 19.000 0.379 0.000 0.802 526 A HN 0.310 nan 8.150 nan 0.000 0.457 527 R N -0.440 119.812 120.500 -0.414 0.000 2.249 527 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 527 R C 2.047 177.919 176.300 -0.713 0.000 1.121 527 R CA 1.044 56.579 56.100 -0.942 0.000 0.997 527 R CB -0.596 29.310 30.300 -0.656 0.000 0.867 527 R HN 0.493 nan 8.270 nan 0.000 0.465 528 G N 0.955 109.243 108.800 -0.854 0.000 2.498 528 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.219 528 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.219 528 G C 1.304 175.830 174.900 -0.623 0.000 1.119 528 G CA 0.492 44.957 45.100 -1.059 0.000 0.766 528 G HN 0.392 nan 8.290 nan 0.000 0.552 529 L N 0.101 121.083 121.223 -0.402 0.000 2.129 529 L HA -0.027 4.313 4.340 -0.000 0.000 0.212 529 L C 2.529 179.412 176.870 0.022 0.000 1.087 529 L CA 1.036 55.893 54.840 0.028 0.000 0.757 529 L CB -0.127 42.012 42.059 0.135 0.000 0.896 529 L HN 0.191 nan 8.230 nan 0.000 0.434 530 L N -0.278 120.887 121.223 -0.096 0.000 2.447 530 L HA -0.172 4.168 4.340 -0.000 0.000 0.225 530 L C 1.963 178.828 176.870 -0.009 0.000 1.148 530 L CA 0.640 55.454 54.840 -0.044 0.000 0.808 530 L CB -0.529 41.458 42.059 -0.121 0.000 0.928 530 L HN 0.322 nan 8.230 nan 0.000 0.448 531 R N -0.559 119.945 120.500 0.007 0.000 2.432 531 R HA 0.223 4.562 4.340 -0.000 0.000 0.260 531 R C 1.467 177.916 176.300 0.248 0.000 0.935 531 R CA 0.718 56.845 56.100 0.044 0.000 1.080 531 R CB 0.621 30.894 30.300 -0.046 0.000 1.155 531 R HN 0.363 nan 8.270 nan 0.000 0.531 532 G N 0.512 109.446 108.800 0.223 0.000 2.708 532 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.229 532 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.229 532 G C 0.403 175.451 174.900 0.246 0.000 1.236 532 G CA 0.200 45.447 45.100 0.244 0.000 0.749 532 G HN 0.670 nan 8.290 nan 0.000 0.515 533 G N -0.826 108.195 108.800 0.369 0.000 2.719 533 G HA2 0.885 4.845 3.960 -0.000 0.000 0.298 533 G HA3 0.885 4.845 3.960 -0.000 0.000 0.298 533 G C -0.963 174.121 174.900 0.307 0.000 1.411 533 G CA 0.123 45.199 45.100 -0.041 0.000 0.991 533 G HN 1.699 nan 8.290 nan 0.000 0.509 534 Y N -1.247 119.027 120.300 -0.043 0.000 2.689 534 Y HA 0.680 5.230 4.550 -0.000 0.000 0.333 534 Y C -1.112 174.759 175.900 -0.047 0.000 1.208 534 Y CA -1.643 56.484 58.100 0.046 0.000 1.055 534 Y CB 1.116 39.651 38.460 0.126 0.000 1.304 534 Y HN 0.441 nan 8.280 nan 0.000 0.455 535 V N 3.847 123.790 119.914 0.049 0.000 2.427 535 V HA 0.089 4.209 4.120 -0.000 0.000 0.268 535 V C 0.853 176.945 176.094 -0.003 0.000 1.046 535 V CA -0.171 62.093 62.300 -0.061 0.000 0.970 535 V CB 0.715 32.539 31.823 0.002 0.000 1.001 535 V HN 0.971 nan 8.190 nan 0.000 0.476 536 L N 3.041 124.153 121.223 -0.185 0.000 2.071 536 L HA 0.233 4.573 4.340 -0.000 0.000 0.201 536 L C 0.734 177.608 176.870 0.007 0.000 1.076 536 L CA 1.165 55.961 54.840 -0.073 0.000 0.755 536 L CB 0.417 42.358 42.059 -0.196 0.000 0.915 536 L HN 0.599 nan 8.230 nan 0.000 0.445 537 E N 0.854 121.028 120.200 -0.042 0.000 2.279 537 E HA 0.208 4.558 4.350 -0.000 0.000 0.252 537 E C -1.366 175.210 176.600 -0.039 0.000 0.894 537 E CA -0.320 56.066 56.400 -0.024 0.000 0.785 537 E CB 1.779 31.461 29.700 -0.030 0.000 1.237 537 E HN 0.117 nan 8.360 nan 0.000 0.418 538 D N 1.176 121.564 120.400 -0.020 0.000 2.423 538 D HA 0.509 5.149 4.640 -0.000 0.000 0.255 538 D C -0.398 175.886 176.300 -0.027 0.000 1.174 538 D CA -0.561 53.423 54.000 -0.026 0.000 1.008 538 D CB 1.504 42.299 40.800 -0.008 0.000 1.101 538 D HN 0.179 nan 8.370 nan 0.000 0.516 539 V N -1.892 118.005 119.914 -0.029 0.000 3.188 539 V HA 0.538 4.658 4.120 -0.000 0.000 0.305 539 V C -0.683 175.401 176.094 -0.017 0.000 1.232 539 V CA -0.974 61.310 62.300 -0.027 0.000 1.043 539 V CB 1.820 33.617 31.823 -0.042 0.000 1.068 539 V HN 0.361 nan 8.190 nan 0.000 0.439 540 E N 1.406 121.599 120.200 -0.012 0.000 2.324 540 E HA 0.211 4.561 4.350 -0.000 0.000 0.271 540 E C -0.021 176.577 176.600 -0.005 0.000 1.028 540 E CA 0.451 56.847 56.400 -0.005 0.000 0.890 540 E CB 0.490 30.188 29.700 -0.003 0.000 1.004 540 E HN 0.888 nan 8.360 nan 0.000 0.431 541 E N 1.313 121.513 120.200 -0.001 0.000 2.246 541 E HA -0.177 4.173 4.350 -0.000 0.000 0.173 541 E C -2.095 174.506 176.600 0.002 0.000 1.532 541 E CA -0.087 56.315 56.400 0.003 0.000 0.672 541 E CB -1.334 28.369 29.700 0.006 0.000 1.078 541 E HN 0.348 nan 8.360 nan 0.000 0.338 542 P HA -0.144 nan 4.420 nan 0.000 0.265 542 P C -0.036 177.277 177.300 0.021 0.000 1.187 542 P CA 0.648 63.744 63.100 -0.007 0.000 0.766 542 P CB 0.657 32.346 31.700 -0.018 0.000 0.820 543 Q N 0.889 120.713 119.800 0.040 0.000 2.282 543 Q HA 0.347 4.687 4.340 -0.000 0.000 0.206 543 Q C 0.938 177.075 176.000 0.228 0.000 0.878 543 Q CA 0.036 55.906 55.803 0.111 0.000 0.944 543 Q CB 0.702 29.522 28.738 0.137 0.000 1.100 543 Q HN 0.736 nan 8.270 nan 0.000 0.509 544 G N -0.471 108.417 108.800 0.146 0.000 2.342 544 G HA2 0.412 4.371 3.960 -0.000 0.000 0.297 544 G HA3 0.412 4.371 3.960 -0.000 0.000 0.297 544 G C -1.889 173.014 174.900 0.006 0.000 1.313 544 G CA -0.603 44.640 45.100 0.238 0.000 0.830 544 G HN -0.081 nan 8.290 nan 0.000 0.506 545 V N 0.166 120.122 119.914 0.071 0.000 2.760 545 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 545 V C -0.496 175.570 176.094 -0.046 0.000 1.077 545 V CA -0.624 61.654 62.300 -0.037 0.000 0.910 545 V CB 1.842 33.666 31.823 0.002 0.000 1.008 545 V HN 0.680 nan 8.190 nan 0.000 0.424 546 L N 4.437 125.582 121.223 -0.131 0.000 2.294 546 L HA 0.629 4.969 4.340 -0.000 0.000 0.283 546 L C -0.477 176.312 176.870 -0.135 0.000 1.015 546 L CA -0.636 54.132 54.840 -0.119 0.000 0.831 546 L CB 1.714 43.681 42.059 -0.152 0.000 1.217 546 L HN 0.468 nan 8.230 nan 0.000 0.420 547 V N 3.707 123.538 119.914 -0.137 0.000 2.435 547 V HA 0.917 5.037 4.120 -0.000 0.000 0.290 547 V C -0.135 175.839 176.094 -0.200 0.000 1.030 547 V CA -0.038 62.161 62.300 -0.169 0.000 0.881 547 V CB 1.554 33.296 31.823 -0.135 0.000 0.983 547 V HN 0.875 nan 8.190 nan 0.000 0.445 548 A N 4.359 127.090 122.820 -0.147 0.000 2.593 548 A HA 0.976 5.296 4.320 -0.000 0.000 0.290 548 A C -0.348 177.241 177.584 0.007 0.000 1.126 548 A CA -0.093 51.888 52.037 -0.094 0.000 0.695 548 A CB 2.237 21.179 19.000 -0.097 0.000 1.290 548 A HN 1.299 nan 8.150 nan 0.000 0.414 549 T N -2.061 112.542 114.554 0.082 0.000 2.906 549 T HA 0.719 5.069 4.350 -0.000 0.000 0.295 549 T C 0.836 175.574 174.700 0.064 0.000 1.061 549 T CA 0.579 62.748 62.100 0.116 0.000 1.000 549 T CB 1.033 70.053 68.868 0.252 0.000 1.103 549 T HN 2.677 nan 8.240 nan 0.000 0.486 550 G N 2.373 111.204 108.800 0.051 0.000 2.627 550 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.312 550 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.312 550 G C 1.359 176.279 174.900 0.034 0.000 1.299 550 G CA 2.006 47.131 45.100 0.042 0.000 0.989 550 G HN 2.122 nan 8.290 nan 0.000 0.547 551 S N -0.321 115.413 115.700 0.056 0.000 2.400 551 S HA -0.118 4.352 4.470 -0.000 0.000 0.232 551 S C 1.824 176.512 174.600 0.147 0.000 1.025 551 S CA 2.290 60.559 58.200 0.116 0.000 0.993 551 S CB -0.252 62.943 63.200 -0.008 0.000 0.808 551 S HN 0.670 nan 8.310 nan 0.000 0.478 552 E N 1.016 121.275 120.200 0.099 0.000 2.409 552 E HA 0.082 4.432 4.350 -0.000 0.000 0.198 552 E C 1.851 178.469 176.600 0.031 0.000 1.024 552 E CA 0.383 56.855 56.400 0.119 0.000 0.861 552 E CB -0.527 29.228 29.700 0.091 0.000 0.788 552 E HN 0.437 nan 8.360 nan 0.000 0.521 553 V N 0.385 120.253 119.914 -0.077 0.000 2.407 553 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 553 V C 1.448 177.419 176.094 -0.205 0.000 1.055 553 V CA 2.037 64.221 62.300 -0.193 0.000 1.049 553 V CB -0.490 31.146 31.823 -0.311 0.000 0.662 553 V HN 0.405 nan 8.190 nan 0.000 0.455 554 H N -1.116 117.974 119.070 0.034 0.000 2.462 554 H HA -0.015 4.541 4.556 -0.000 0.000 0.292 554 H C 2.179 177.542 175.328 0.059 0.000 1.049 554 H CA 1.154 57.226 56.048 0.040 0.000 1.334 554 H CB 0.023 29.808 29.762 0.039 0.000 1.404 554 H HN 0.258 nan 8.280 nan 0.000 0.544 555 L N 0.036 121.368 121.223 0.182 0.000 2.072 555 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 555 L C 2.518 179.433 176.870 0.076 0.000 1.079 555 L CA 0.933 55.874 54.840 0.168 0.000 0.752 555 L CB -0.398 41.798 42.059 0.228 0.000 0.906 555 L HN 0.389 nan 8.230 nan 0.000 0.436 556 A N 0.025 122.860 122.820 0.026 0.000 1.902 556 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 556 A C 2.145 179.706 177.584 -0.039 0.000 1.181 556 A CA 1.408 53.426 52.037 -0.032 0.000 0.623 556 A CB -0.691 18.262 19.000 -0.077 0.000 0.818 556 A HN 0.427 nan 8.150 nan 0.000 0.443 557 L N -1.252 119.957 121.223 -0.024 0.000 2.083 557 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 557 L C 2.860 179.731 176.870 0.002 0.000 1.083 557 L CA 1.544 56.375 54.840 -0.016 0.000 0.752 557 L CB -0.422 41.645 42.059 0.013 0.000 0.899 557 L HN 0.353 nan 8.230 nan 0.000 0.433 558 R N -0.305 120.212 120.500 0.029 0.000 2.092 558 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 558 R C 2.417 178.721 176.300 0.006 0.000 1.119 558 R CA 1.148 57.265 56.100 0.029 0.000 0.970 558 R CB -0.390 29.942 30.300 0.054 0.000 0.864 558 R HN 0.328 nan 8.270 nan 0.000 0.440 559 A N 0.789 123.606 122.820 -0.005 0.000 1.969 559 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 559 A C 2.067 179.618 177.584 -0.055 0.000 1.169 559 A CA 1.075 53.098 52.037 -0.024 0.000 0.635 559 A CB -0.389 18.594 19.000 -0.028 0.000 0.810 559 A HN 0.350 nan 8.150 nan 0.000 0.445 560 Q N -0.396 119.361 119.800 -0.072 0.000 2.124 560 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 560 Q C 2.141 178.101 176.000 -0.068 0.000 0.977 560 Q CA 1.532 57.275 55.803 -0.100 0.000 0.850 560 Q CB -0.313 28.367 28.738 -0.097 0.000 0.901 560 Q HN 0.612 nan 8.270 nan 0.000 0.429 561 A N 0.776 123.573 122.820 -0.038 0.000 1.873 561 A HA -0.136 4.183 4.320 -0.000 0.000 0.215 561 A C 2.054 179.626 177.584 -0.020 0.000 1.186 561 A CA 1.098 53.121 52.037 -0.023 0.000 0.616 561 A CB -0.733 18.263 19.000 -0.007 0.000 0.823 561 A HN 0.440 nan 8.150 nan 0.000 0.442 562 L N -0.975 120.238 121.223 -0.017 0.000 2.042 562 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 562 L C 2.492 179.353 176.870 -0.014 0.000 1.076 562 L CA 0.958 55.792 54.840 -0.011 0.000 0.749 562 L CB -0.631 41.425 42.059 -0.006 0.000 0.893 562 L HN 0.298 nan 8.230 nan 0.000 0.432 563 L N -0.479 120.725 121.223 -0.031 0.000 2.046 563 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 563 L C 2.713 179.565 176.870 -0.030 0.000 1.077 563 L CA 1.562 56.382 54.840 -0.033 0.000 0.747 563 L CB -0.935 41.065 42.059 -0.097 0.000 0.896 563 L HN 0.199 nan 8.230 nan 0.000 0.432 564 R N 0.098 120.573 120.500 -0.041 0.000 2.105 564 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 564 R C 2.159 178.450 176.300 -0.015 0.000 1.135 564 R CA 1.772 57.853 56.100 -0.030 0.000 0.967 564 R CB -0.227 30.054 30.300 -0.031 0.000 0.861 564 R HN 0.510 nan 8.270 nan 0.000 0.442 565 E N 0.443 120.637 120.200 -0.011 0.000 2.265 565 E HA -0.152 4.197 4.350 -0.000 0.000 0.196 565 E C 0.862 177.461 176.600 -0.001 0.000 0.996 565 E CA 1.046 57.444 56.400 -0.005 0.000 0.832 565 E CB 0.199 29.897 29.700 -0.003 0.000 0.756 565 E HN 0.271 nan 8.360 nan 0.000 0.491 566 K N -1.166 119.234 120.400 0.001 0.000 2.410 566 K HA 0.129 4.449 4.320 -0.000 0.000 0.200 566 K C 0.761 177.368 176.600 0.011 0.000 1.023 566 K CA 0.429 56.721 56.287 0.008 0.000 1.149 566 K CB 1.002 33.511 32.500 0.015 0.000 0.859 566 K HN 0.258 nan 8.250 nan 0.000 0.514 567 G N 1.001 109.805 108.800 0.006 0.000 2.176 567 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 567 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 567 G C 0.170 175.078 174.900 0.013 0.000 0.979 567 G CA 0.002 45.107 45.100 0.008 0.000 0.641 567 G HN 0.132 nan 8.290 nan 0.000 0.530 568 V N 1.724 121.648 119.914 0.017 0.000 2.432 568 V HA 0.528 4.648 4.120 -0.000 0.000 0.275 568 V C 0.726 176.803 176.094 -0.028 0.000 1.043 568 V CA -0.387 61.931 62.300 0.031 0.000 0.925 568 V CB 1.253 33.127 31.823 0.085 0.000 0.985 568 V HN 0.368 nan 8.190 nan 0.000 0.466 569 R N 3.986 124.467 120.500 -0.032 0.000 2.310 569 R HA 0.687 5.027 4.340 -0.000 0.000 0.324 569 R C -0.892 175.324 176.300 -0.140 0.000 0.955 569 R CA -0.515 55.540 56.100 -0.074 0.000 0.830 569 R CB 1.789 32.067 30.300 -0.036 0.000 1.154 569 R HN 0.646 nan 8.270 nan 0.000 0.458 570 V N 0.107 119.885 119.914 -0.227 0.000 2.789 570 V HA 0.648 4.768 4.120 -0.000 0.000 0.311 570 V C -0.217 175.756 176.094 -0.202 0.000 1.073 570 V CA -1.392 60.721 62.300 -0.310 0.000 0.921 570 V CB 1.946 33.382 31.823 -0.645 0.000 1.009 570 V HN 0.818 nan 8.190 nan 0.000 0.426 571 R N 2.531 122.937 120.500 -0.156 0.000 2.532 571 R HA 0.869 5.209 4.340 -0.000 0.000 0.272 571 R C -1.194 175.020 176.300 -0.143 0.000 1.032 571 R CA -0.738 55.291 56.100 -0.120 0.000 1.089 571 R CB 1.700 31.948 30.300 -0.086 0.000 1.098 571 R HN 0.532 nan 8.270 nan 0.000 0.526 572 V N 2.325 122.158 119.914 -0.135 0.000 2.417 572 V HA 0.336 4.456 4.120 -0.000 0.000 0.291 572 V C -0.483 175.489 176.094 -0.203 0.000 1.024 572 V CA -0.816 61.388 62.300 -0.160 0.000 0.861 572 V CB 1.726 33.463 31.823 -0.142 0.000 0.985 572 V HN 0.571 nan 8.190 nan 0.000 0.436 573 V N 3.672 123.444 119.914 -0.238 0.000 2.459 573 V HA 0.493 4.612 4.120 -0.000 0.000 0.295 573 V C 0.210 176.074 176.094 -0.382 0.000 1.029 573 V CA -0.319 61.782 62.300 -0.332 0.000 0.874 573 V CB 2.059 33.699 31.823 -0.306 0.000 0.985 573 V HN 0.861 nan 8.190 nan 0.000 0.438 574 S N 4.484 119.834 115.700 -0.583 0.000 2.442 574 S HA 0.608 5.078 4.470 -0.000 0.000 0.297 574 S C -0.713 173.658 174.600 -0.382 0.000 1.131 574 S CA -0.455 57.459 58.200 -0.476 0.000 1.092 574 S CB 0.843 63.678 63.200 -0.607 0.000 0.998 574 S HN 0.591 nan 8.310 nan 0.000 0.478 575 L N 8.927 130.035 121.223 -0.191 0.000 2.581 575 L HA 0.529 4.869 4.340 -0.000 0.000 0.241 575 L C -1.782 175.114 176.870 0.044 0.000 1.265 575 L CA -1.929 52.817 54.840 -0.157 0.000 0.954 575 L CB 1.257 43.163 42.059 -0.254 0.000 1.269 575 L HN 0.459 nan 8.230 nan 0.000 0.475 576 P HA -0.070 nan 4.420 nan 0.000 0.220 576 P C 0.181 177.551 177.300 0.118 0.000 1.148 576 P CA 0.674 63.843 63.100 0.116 0.000 0.803 576 P CB 0.465 32.253 31.700 0.147 0.000 0.782 577 S N -1.813 113.961 115.700 0.122 0.000 2.720 577 S HA 0.383 4.853 4.470 -0.000 0.000 0.278 577 S C 0.325 175.032 174.600 0.178 0.000 1.172 577 S CA -0.624 57.636 58.200 0.100 0.000 1.019 577 S CB 0.139 63.324 63.200 -0.024 0.000 1.049 577 S HN -0.287 nan 8.310 nan 0.000 0.483 578 F N 3.165 123.065 119.950 -0.084 0.000 2.102 578 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 578 F C 2.130 177.924 175.800 -0.010 0.000 1.105 578 F CA 1.562 59.560 58.000 -0.003 0.000 1.239 578 F CB -0.576 38.413 39.000 -0.019 0.000 0.991 578 F HN 0.591 nan 8.300 nan 0.000 0.474 579 E N -0.157 120.047 120.200 0.006 0.000 2.047 579 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 579 E C 2.082 178.460 176.600 -0.370 0.000 0.987 579 E CA 0.884 57.146 56.400 -0.231 0.000 0.799 579 E CB -0.834 28.587 29.700 -0.465 0.000 0.752 579 E HN 0.208 nan 8.360 nan 0.000 0.449 580 L N -0.022 120.858 121.223 -0.572 0.000 2.056 580 L HA -0.056 4.283 4.340 -0.000 0.000 0.207 580 L C 2.029 178.912 176.870 0.023 0.000 1.078 580 L CA 1.511 56.189 54.840 -0.271 0.000 0.749 580 L CB -0.640 41.331 42.059 -0.147 0.000 0.901 580 L HN 0.135 nan 8.230 nan 0.000 0.433 581 F N 0.562 120.479 119.950 -0.056 0.000 2.102 581 F HA -0.158 4.368 4.527 -0.000 0.000 0.298 581 F C 2.294 178.124 175.800 0.051 0.000 1.105 581 F CA 1.490 59.503 58.000 0.022 0.000 1.239 581 F CB -0.717 38.253 39.000 -0.050 0.000 0.991 581 F HN 0.133 nan 8.300 nan 0.000 0.474 582 A N -0.001 122.807 122.820 -0.020 0.000 2.070 582 A HA 0.068 4.388 4.320 -0.000 0.000 0.220 582 A C 2.227 179.762 177.584 -0.083 0.000 1.159 582 A CA 1.318 53.307 52.037 -0.080 0.000 0.656 582 A CB -1.365 17.664 19.000 0.049 0.000 0.800 582 A HN 0.468 nan 8.150 nan 0.000 0.453 583 A N -1.148 121.648 122.820 -0.041 0.000 2.208 583 A HA 0.148 4.468 4.320 -0.000 0.000 0.209 583 A C 1.017 178.585 177.584 -0.028 0.000 1.161 583 A CA 0.099 52.138 52.037 0.003 0.000 0.782 583 A CB -0.085 18.965 19.000 0.083 0.000 0.816 583 A HN 0.483 nan 8.150 nan 0.000 0.477 584 Q N 0.851 120.600 119.800 -0.086 0.000 2.368 584 Q HA 0.276 4.616 4.340 -0.000 0.000 0.237 584 Q C -2.416 173.549 176.000 -0.057 0.000 0.987 584 Q CA -2.230 53.527 55.803 -0.076 0.000 0.896 584 Q CB -0.068 28.640 28.738 -0.050 0.000 1.241 584 Q HN 0.271 nan 8.270 nan 0.000 0.485 585 P HA -0.057 nan 4.420 nan 0.000 0.269 585 P C 0.354 177.660 177.300 0.010 0.000 1.209 585 P CA 0.153 63.255 63.100 0.004 0.000 0.776 585 P CB 0.786 32.498 31.700 0.021 0.000 0.876 586 E N 2.271 122.467 120.200 -0.008 0.000 2.171 586 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 586 E C 1.807 178.412 176.600 0.008 0.000 0.997 586 E CA 1.608 57.999 56.400 -0.015 0.000 0.810 586 E CB -0.320 29.375 29.700 -0.008 0.000 0.738 586 E HN 0.533 nan 8.360 nan 0.000 0.467 587 A N 0.275 123.117 122.820 0.036 0.000 1.902 587 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 587 A C 2.038 179.663 177.584 0.069 0.000 1.181 587 A CA 1.513 53.579 52.037 0.049 0.000 0.623 587 A CB -0.945 18.089 19.000 0.057 0.000 0.818 587 A HN 0.593 nan 8.150 nan 0.000 0.443 588 Y N 0.527 120.820 120.300 -0.011 0.000 2.181 588 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 588 Y C 2.457 178.377 175.900 0.034 0.000 1.146 588 Y CA 2.072 60.179 58.100 0.012 0.000 1.164 588 Y CB -0.353 38.105 38.460 -0.003 0.000 0.982 588 Y HN 0.259 nan 8.280 nan 0.000 0.515 589 R N 0.319 120.756 120.500 -0.105 0.000 2.105 589 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 589 R C 2.254 178.547 176.300 -0.012 0.000 1.135 589 R CA 1.946 57.948 56.100 -0.163 0.000 0.967 589 R CB -0.188 29.935 30.300 -0.296 0.000 0.861 589 R HN 0.305 nan 8.270 nan 0.000 0.442 590 K N 0.184 120.569 120.400 -0.025 0.000 2.217 590 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 590 K C 1.765 178.351 176.600 -0.023 0.000 1.051 590 K CA 1.035 57.325 56.287 0.005 0.000 0.952 590 K CB 0.138 32.645 32.500 0.013 0.000 0.736 590 K HN 0.290 nan 8.250 nan 0.000 0.453 591 E N 0.372 120.526 120.200 -0.076 0.000 2.106 591 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 591 E C 1.947 178.479 176.600 -0.113 0.000 0.984 591 E CA 0.934 57.285 56.400 -0.082 0.000 0.806 591 E CB 0.126 29.774 29.700 -0.087 0.000 0.750 591 E HN 0.011 nan 8.360 nan 0.000 0.458 592 V N 0.981 120.781 119.914 -0.190 0.000 2.323 592 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 592 V C 1.159 177.212 176.094 -0.069 0.000 1.041 592 V CA 1.130 63.338 62.300 -0.154 0.000 1.025 592 V CB -0.117 31.601 31.823 -0.175 0.000 0.656 592 V HN 0.178 nan 8.190 nan 0.000 0.451 593 L N 2.981 124.206 121.223 0.003 0.000 2.408 593 L HA 0.368 4.708 4.340 -0.000 0.000 0.257 593 L C -2.532 174.373 176.870 0.058 0.000 1.053 593 L CA -1.522 53.342 54.840 0.039 0.000 0.922 593 L CB 1.334 43.450 42.059 0.094 0.000 1.261 593 L HN 0.144 nan 8.230 nan 0.000 0.458 594 P HA 0.129 nan 4.420 nan 0.000 0.271 594 P C -2.403 174.936 177.300 0.065 0.000 1.233 594 P CA -1.010 62.115 63.100 0.042 0.000 0.764 594 P CB 0.118 31.835 31.700 0.027 0.000 0.825 595 P HA -0.047 nan 4.420 nan 0.000 0.266 595 P C 1.070 178.409 177.300 0.065 0.000 1.193 595 P CA 0.984 64.129 63.100 0.074 0.000 0.770 595 P CB 0.149 31.883 31.700 0.055 0.000 0.836 596 G N 0.469 109.314 108.800 0.076 0.000 2.268 596 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.240 596 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.240 596 G C -0.212 174.700 174.900 0.020 0.000 1.010 596 G CA -0.099 45.025 45.100 0.040 0.000 0.618 596 G HN 0.551 nan 8.290 nan 0.000 0.516 597 L N 3.822 125.079 121.223 0.056 0.000 2.290 597 L HA 0.520 4.859 4.340 -0.000 0.000 0.284 597 L C -1.330 175.578 176.870 0.064 0.000 1.078 597 L CA -2.247 52.628 54.840 0.057 0.000 0.815 597 L CB 0.676 42.784 42.059 0.081 0.000 1.162 597 L HN 0.077 nan 8.230 nan 0.000 0.435 598 P HA 0.124 nan 4.420 nan 0.000 0.269 598 P C -1.143 176.302 177.300 0.241 0.000 1.209 598 P CA -0.099 62.902 63.100 -0.165 0.000 0.776 598 P CB 1.147 32.677 31.700 -0.283 0.000 0.876 599 V N 3.225 123.440 119.914 0.501 0.000 2.709 599 V HA 0.343 4.463 4.120 -0.000 0.000 0.308 599 V C 0.052 176.323 176.094 0.294 0.000 1.062 599 V CA -0.749 61.776 62.300 0.375 0.000 0.901 599 V CB 2.470 34.452 31.823 0.264 0.000 1.003 599 V HN 0.282 nan 8.190 nan 0.000 0.425 600 V N 3.219 123.249 119.914 0.193 0.000 2.487 600 V HA 0.830 4.949 4.120 -0.000 0.000 0.298 600 V C 0.267 176.322 176.094 -0.064 0.000 1.028 600 V CA -0.451 61.901 62.300 0.088 0.000 0.860 600 V CB 1.824 33.735 31.823 0.147 0.000 0.991 600 V HN 1.046 nan 8.190 nan 0.000 0.427 601 A N 4.596 127.292 122.820 -0.207 0.000 2.312 601 A HA 0.906 5.226 4.320 -0.000 0.000 0.328 601 A C -0.791 176.496 177.584 -0.496 0.000 1.158 601 A CA -0.538 51.185 52.037 -0.523 0.000 0.821 601 A CB 1.497 19.854 19.000 -1.073 0.000 1.170 601 A HN 0.770 nan 8.150 nan 0.000 0.490 602 V N 1.673 121.305 119.914 -0.470 0.000 2.482 602 V HA 0.633 4.753 4.120 -0.000 0.000 0.295 602 V C -0.458 175.544 176.094 -0.153 0.000 1.026 602 V CA -0.346 61.826 62.300 -0.213 0.000 0.856 602 V CB 1.117 32.902 31.823 -0.064 0.000 1.001 602 V HN 1.007 nan 8.190 nan 0.000 0.424 603 E N 3.292 123.478 120.200 -0.024 0.000 2.343 603 E HA 0.600 4.950 4.350 -0.000 0.000 0.286 603 E C -0.521 176.141 176.600 0.104 0.000 0.915 603 E CA -0.668 55.781 56.400 0.081 0.000 0.784 603 E CB 1.947 31.803 29.700 0.260 0.000 1.251 603 E HN 0.837 nan 8.360 nan 0.000 0.407 604 A N 3.445 126.169 122.820 -0.161 0.000 3.048 604 A HA 0.555 4.875 4.320 -0.000 0.000 0.264 604 A C 0.292 177.844 177.584 -0.054 0.000 1.796 604 A CA 0.843 52.616 52.037 -0.439 0.000 1.445 604 A CB -0.592 18.015 19.000 -0.655 0.000 1.074 604 A HN 0.558 nan 8.150 nan 0.000 0.621 605 G N -0.951 107.920 108.800 0.117 0.000 2.606 605 G HA2 0.641 4.601 3.960 -0.000 0.000 0.300 605 G HA3 0.641 4.601 3.960 -0.000 0.000 0.300 605 G C -0.300 174.704 174.900 0.172 0.000 1.360 605 G CA -0.112 45.069 45.100 0.134 0.000 0.783 605 G HN 1.124 nan 8.290 nan 0.000 0.484 606 A N -0.214 122.679 122.820 0.121 0.000 2.561 606 A HA 0.450 4.770 4.320 -0.000 0.000 0.234 606 A C 1.724 179.429 177.584 0.201 0.000 1.055 606 A CA 0.996 53.094 52.037 0.102 0.000 0.756 606 A CB 0.189 19.207 19.000 0.031 0.000 0.986 606 A HN 1.925 nan 8.150 nan 0.000 0.505 607 S N 2.354 118.163 115.700 0.183 0.000 2.496 607 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 607 S C 0.716 175.472 174.600 0.261 0.000 0.996 607 S CA -0.080 58.288 58.200 0.280 0.000 0.927 607 S CB -0.189 63.106 63.200 0.158 0.000 0.774 607 S HN 0.564 nan 8.310 nan 0.000 0.524 608 L N 2.985 124.285 121.223 0.129 0.000 2.615 608 L HA 0.319 4.659 4.340 -0.000 0.000 0.271 608 L C 1.516 178.409 176.870 0.038 0.000 1.183 608 L CA 1.991 56.871 54.840 0.067 0.000 0.933 608 L CB -0.412 41.656 42.059 0.014 0.000 1.199 608 L HN 0.647 nan 8.230 nan 0.000 0.487 609 G N 3.994 112.819 108.800 0.042 0.000 2.278 609 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.210 609 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.210 609 G C 0.765 175.676 174.900 0.018 0.000 1.000 609 G CA 0.260 45.352 45.100 -0.012 0.000 0.635 609 G HN 0.650 nan 8.290 nan 0.000 0.495 610 W N 1.471 122.853 121.300 0.136 0.000 2.525 610 W HA 0.307 4.967 4.660 -0.000 0.000 0.259 610 W C 2.164 178.720 176.519 0.060 0.000 1.253 610 W CA 1.190 58.635 57.345 0.167 0.000 1.262 610 W CB 0.198 29.748 29.460 0.149 0.000 1.122 610 W HN 0.380 nan 8.180 nan 0.000 0.607 611 E N -0.056 120.268 120.200 0.206 0.000 2.401 611 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 611 E C 1.850 178.431 176.600 -0.032 0.000 1.023 611 E CA 0.788 57.233 56.400 0.075 0.000 0.859 611 E CB -0.289 29.433 29.700 0.037 0.000 0.780 611 E HN 0.257 nan 8.360 nan 0.000 0.523 612 R N -0.529 119.913 120.500 -0.097 0.000 2.148 612 R HA -0.138 4.201 4.340 -0.000 0.000 0.227 612 R C 0.747 176.753 176.300 -0.491 0.000 1.103 612 R CA 1.295 57.184 56.100 -0.353 0.000 0.983 612 R CB 0.100 30.078 30.300 -0.536 0.000 0.874 612 R HN 0.265 nan 8.270 nan 0.000 0.451 613 Y N -1.965 118.341 120.300 0.010 0.000 2.494 613 Y HA 0.462 5.012 4.550 -0.000 0.000 0.271 613 Y C 0.402 176.290 175.900 -0.019 0.000 1.113 613 Y CA -0.008 58.095 58.100 0.005 0.000 1.240 613 Y CB 0.689 39.167 38.460 0.030 0.000 1.268 613 Y HN 0.057 nan 8.280 nan 0.000 0.510 614 A N -0.796 122.133 122.820 0.181 0.000 2.356 614 A HA 0.562 4.882 4.320 -0.000 0.000 0.323 614 A C -0.511 177.001 177.584 -0.120 0.000 1.119 614 A CA -0.444 51.612 52.037 0.032 0.000 0.790 614 A CB 0.489 19.554 19.000 0.109 0.000 1.273 614 A HN 0.388 nan 8.150 nan 0.000 0.452 615 H N -0.010 119.104 119.070 0.073 0.000 2.525 615 H HA 0.253 4.809 4.556 -0.000 0.000 0.275 615 H C 0.402 175.742 175.328 0.019 0.000 0.984 615 H CA 1.397 57.467 56.048 0.036 0.000 1.264 615 H CB 0.308 30.074 29.762 0.007 0.000 1.432 615 H HN 0.544 nan 8.280 nan 0.000 0.549 616 K N 0.679 121.147 120.400 0.113 0.000 2.542 616 K HA 0.451 4.771 4.320 -0.000 0.000 0.259 616 K C -1.760 174.837 176.600 -0.005 0.000 0.932 616 K CA -0.914 55.400 56.287 0.045 0.000 0.820 616 K CB 2.205 34.719 32.500 0.023 0.000 1.345 616 K HN -0.007 nan 8.250 nan 0.000 0.432 617 V N 0.046 119.937 119.914 -0.039 0.000 2.789 617 V HA 0.638 4.758 4.120 -0.000 0.000 0.311 617 V C -1.101 174.918 176.094 -0.125 0.000 1.073 617 V CA -0.816 61.408 62.300 -0.127 0.000 0.921 617 V CB 1.852 33.589 31.823 -0.143 0.000 1.009 617 V HN 0.410 nan 8.190 nan 0.000 0.426 618 V N 4.618 124.433 119.914 -0.165 0.000 2.270 618 V HA 0.828 4.948 4.120 -0.000 0.000 0.263 618 V C 0.713 176.748 176.094 -0.098 0.000 1.066 618 V CA 0.777 62.968 62.300 -0.182 0.000 0.857 618 V CB -0.035 31.676 31.823 -0.187 0.000 1.099 618 V HN 1.394 nan 8.190 nan 0.000 0.476 619 A N 4.619 127.402 122.820 -0.062 0.000 2.470 619 A HA 1.002 5.322 4.320 -0.000 0.000 0.271 619 A C -1.366 176.327 177.584 0.182 0.000 1.269 619 A CA -0.735 51.391 52.037 0.148 0.000 0.828 619 A CB 1.653 20.724 19.000 0.120 0.000 1.374 619 A HN 0.622 nan 8.150 nan 0.000 0.454 620 L N 0.248 121.626 121.223 0.258 0.000 2.372 620 L HA 0.597 4.937 4.340 -0.000 0.000 0.274 620 L C -1.492 175.423 176.870 0.075 0.000 0.988 620 L CA -0.056 54.900 54.840 0.194 0.000 0.833 620 L CB 1.694 43.931 42.059 0.297 0.000 1.236 620 L HN 0.563 nan 8.230 nan 0.000 0.410 621 D N 5.138 125.544 120.400 0.010 0.000 2.788 621 D HA 0.251 4.891 4.640 -0.000 0.000 0.289 621 D C -0.420 175.808 176.300 -0.120 0.000 1.340 621 D CA 0.012 53.981 54.000 -0.051 0.000 0.831 621 D CB 0.476 41.255 40.800 -0.035 0.000 1.103 621 D HN 0.619 nan 8.370 nan 0.000 0.476 622 R N -1.703 118.719 120.500 -0.131 0.000 2.710 622 R HA 0.481 4.821 4.340 -0.000 0.000 0.270 622 R C -0.813 175.392 176.300 -0.158 0.000 1.021 622 R CA -0.778 55.214 56.100 -0.180 0.000 0.889 622 R CB 0.550 30.823 30.300 -0.046 0.000 1.243 622 R HN -0.346 nan 8.270 nan 0.000 0.464 623 F N 0.667 120.652 119.950 0.058 0.000 2.485 623 F HA 0.369 4.896 4.527 -0.000 0.000 0.327 623 F C 1.779 177.620 175.800 0.069 0.000 1.203 623 F CA 1.218 59.258 58.000 0.065 0.000 1.295 623 F CB 0.474 39.510 39.000 0.061 0.000 1.191 623 F HN 0.821 nan 8.300 nan 0.000 0.588 624 G N -0.042 108.936 108.800 0.298 0.000 2.608 624 G HA2 0.519 4.479 3.960 -0.000 0.000 0.212 624 G HA3 0.519 4.479 3.960 -0.000 0.000 0.212 624 G C -1.201 173.791 174.900 0.153 0.000 1.572 624 G CA 0.198 45.411 45.100 0.189 0.000 1.064 624 G HN 0.972 nan 8.290 nan 0.000 0.556 625 A N -2.104 120.789 122.820 0.121 0.000 2.605 625 A HA 0.577 4.897 4.320 -0.000 0.000 0.294 625 A C -0.436 177.194 177.584 0.076 0.000 1.062 625 A CA 0.061 52.154 52.037 0.094 0.000 0.682 625 A CB 1.060 20.113 19.000 0.088 0.000 1.278 625 A HN 1.254 nan 8.150 nan 0.000 0.410 626 S N 0.536 116.272 115.700 0.059 0.000 2.411 626 S HA 0.654 5.124 4.470 -0.000 0.000 0.304 626 S C -0.054 174.572 174.600 0.042 0.000 1.098 626 S CA 0.507 58.733 58.200 0.043 0.000 1.068 626 S CB -0.541 62.678 63.200 0.031 0.000 1.032 626 S HN 2.250 nan 8.310 nan 0.000 0.511 627 A N 6.004 128.852 122.820 0.047 0.000 2.608 627 A HA 0.769 5.088 4.320 -0.000 0.000 0.292 627 A C -3.262 174.356 177.584 0.057 0.000 1.066 627 A CA -1.406 50.660 52.037 0.047 0.000 0.676 627 A CB 0.869 19.901 19.000 0.053 0.000 1.277 627 A HN 0.559 nan 8.150 nan 0.000 0.413 628 P HA 0.345 nan 4.420 nan 0.000 0.272 628 P C -1.080 176.279 177.300 0.099 0.000 1.230 628 P CA 0.081 63.219 63.100 0.064 0.000 0.788 628 P CB 0.243 31.967 31.700 0.039 0.000 0.949 629 Y N 3.554 123.846 120.300 -0.013 0.000 2.320 629 Y HA 0.391 4.940 4.550 -0.000 0.000 0.324 629 Y C -1.267 174.622 175.900 -0.020 0.000 1.190 629 Y CA -1.902 56.187 58.100 -0.018 0.000 1.215 629 Y CB 0.952 39.364 38.460 -0.081 0.000 1.221 629 Y HN 0.350 nan 8.280 nan 0.000 0.486 630 P HA 0.007 nan 4.420 nan 0.000 0.255 630 P C 0.617 177.770 177.300 -0.245 0.000 1.248 630 P CA 0.527 62.999 63.100 -1.046 0.000 0.807 630 P CB 0.253 31.256 31.700 -1.161 0.000 1.150 631 E N 0.738 120.870 120.200 -0.114 0.000 2.058 631 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 631 E C 1.807 178.439 176.600 0.053 0.000 0.997 631 E CA 1.142 57.532 56.400 -0.017 0.000 0.801 631 E CB -0.339 29.357 29.700 -0.006 0.000 0.746 631 E HN -0.009 nan 8.360 nan 0.000 0.450 632 V N 0.204 120.174 119.914 0.093 0.000 2.407 632 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 632 V C 1.995 178.219 176.094 0.217 0.000 1.055 632 V CA 2.287 64.671 62.300 0.140 0.000 1.049 632 V CB -0.541 31.372 31.823 0.150 0.000 0.662 632 V HN 0.513 nan 8.190 nan 0.000 0.455 633 Y N 1.028 121.393 120.300 0.108 0.000 2.163 633 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 633 Y C 2.517 178.530 175.900 0.190 0.000 1.136 633 Y CA 2.412 60.616 58.100 0.173 0.000 1.147 633 Y CB -0.035 38.541 38.460 0.193 0.000 0.987 633 Y HN 0.406 nan 8.280 nan 0.000 0.509 634 E N -0.095 120.214 120.200 0.183 0.000 2.047 634 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 634 E C 2.154 178.761 176.600 0.012 0.000 0.987 634 E CA 1.204 57.639 56.400 0.059 0.000 0.799 634 E CB -0.203 29.523 29.700 0.044 0.000 0.752 634 E HN 0.479 nan 8.360 nan 0.000 0.449 635 R N 0.493 121.013 120.500 0.035 0.000 2.189 635 R HA -0.027 4.313 4.340 -0.000 0.000 0.223 635 R C 1.716 178.022 176.300 0.009 0.000 1.092 635 R CA 0.631 56.740 56.100 0.016 0.000 0.989 635 R CB -0.128 30.188 30.300 0.028 0.000 0.876 635 R HN 0.201 nan 8.270 nan 0.000 0.457 636 L N 0.076 121.325 121.223 0.044 0.000 2.653 636 L HA 0.192 4.532 4.340 -0.000 0.000 0.232 636 L C 0.832 177.641 176.870 -0.102 0.000 1.169 636 L CA 0.157 55.025 54.840 0.046 0.000 0.951 636 L CB 0.355 42.516 42.059 0.170 0.000 1.181 636 L HN 0.433 nan 8.230 nan 0.000 0.460 637 G N -0.434 108.252 108.800 -0.189 0.000 2.175 637 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 637 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 637 G C 0.020 174.531 174.900 -0.649 0.000 0.982 637 G CA -0.511 44.348 45.100 -0.401 0.000 0.641 637 G HN 0.219 nan 8.290 nan 0.000 0.527 638 F N 2.789 122.540 119.950 -0.332 0.000 2.384 638 F HA 0.556 5.083 4.527 -0.000 0.000 0.359 638 F C 0.956 176.570 175.800 -0.310 0.000 1.143 638 F CA 0.304 58.015 58.000 -0.483 0.000 1.216 638 F CB 1.020 39.330 39.000 -1.150 0.000 1.512 638 F HN 0.240 nan 8.300 nan 0.000 0.573 639 T N -0.878 113.623 114.554 -0.089 0.000 2.906 639 T HA 0.378 4.727 4.350 -0.000 0.000 0.295 639 T C -2.127 172.574 174.700 0.001 0.000 1.061 639 T CA -2.263 59.834 62.100 -0.006 0.000 1.000 639 T CB 2.554 71.404 68.868 -0.029 0.000 1.103 639 T HN 0.027 nan 8.240 nan 0.000 0.486 640 P HA -0.082 nan 4.420 nan 0.000 0.219 640 P C 0.887 178.186 177.300 -0.002 0.000 1.146 640 P CA 1.152 64.265 63.100 0.022 0.000 0.808 640 P CB 0.275 31.994 31.700 0.033 0.000 0.779 641 E N 0.133 120.327 120.200 -0.009 0.000 2.051 641 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 641 E C 2.350 178.932 176.600 -0.030 0.000 0.991 641 E CA 1.117 57.507 56.400 -0.017 0.000 0.799 641 E CB -0.666 29.022 29.700 -0.020 0.000 0.748 641 E HN 0.211 nan 8.360 nan 0.000 0.449 642 R N 0.201 120.668 120.500 -0.056 0.000 2.081 642 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 642 R C 2.328 178.587 176.300 -0.067 0.000 1.131 642 R CA 1.266 57.316 56.100 -0.083 0.000 0.960 642 R CB -0.635 29.576 30.300 -0.150 0.000 0.856 642 R HN 0.136 nan 8.270 nan 0.000 0.436 643 V N 1.182 121.064 119.914 -0.054 0.000 2.295 643 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 643 V C 2.583 178.687 176.094 0.017 0.000 1.049 643 V CA 1.912 64.195 62.300 -0.028 0.000 1.024 643 V CB -0.855 30.955 31.823 -0.022 0.000 0.648 643 V HN 0.361 nan 8.190 nan 0.000 0.447 644 A N -0.024 122.805 122.820 0.015 0.000 1.883 644 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 644 A C 2.164 179.792 177.584 0.073 0.000 1.186 644 A CA 2.171 54.236 52.037 0.046 0.000 0.624 644 A CB -0.550 18.462 19.000 0.020 0.000 0.822 644 A HN 0.656 nan 8.150 nan 0.000 0.444 645 E N -0.234 119.982 120.200 0.025 0.000 2.077 645 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 645 E C 2.327 178.931 176.600 0.006 0.000 0.989 645 E CA 0.905 57.310 56.400 0.008 0.000 0.800 645 E CB -0.348 29.340 29.700 -0.021 0.000 0.746 645 E HN 0.628 nan 8.360 nan 0.000 0.452 646 A N 1.174 123.997 122.820 0.006 0.000 1.883 646 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 646 A C 2.018 179.612 177.584 0.017 0.000 1.186 646 A CA 1.390 53.425 52.037 -0.004 0.000 0.624 646 A CB -0.781 18.212 19.000 -0.011 0.000 0.822 646 A HN 0.325 nan 8.150 nan 0.000 0.444 647 F N 0.396 120.318 119.950 -0.047 0.000 2.113 647 F HA -0.060 4.467 4.527 -0.000 0.000 0.297 647 F C 1.949 177.726 175.800 -0.038 0.000 1.103 647 F CA 1.504 59.481 58.000 -0.039 0.000 1.248 647 F CB -0.249 38.728 39.000 -0.038 0.000 0.999 647 F HN 0.119 nan 8.300 nan 0.000 0.475 648 L N 0.086 121.348 121.223 0.066 0.000 2.189 648 L HA -0.255 4.085 4.340 -0.000 0.000 0.214 648 L C 2.543 179.337 176.870 -0.128 0.000 1.097 648 L CA 1.551 56.382 54.840 -0.016 0.000 0.764 648 L CB -1.005 41.076 42.059 0.038 0.000 0.900 648 L HN 0.354 nan 8.230 nan 0.000 0.436 649 S N -0.733 114.889 115.700 -0.130 0.000 2.522 649 S HA -0.021 4.449 4.470 -0.000 0.000 0.227 649 S C 1.667 176.155 174.600 -0.188 0.000 0.986 649 S CA 0.394 58.517 58.200 -0.128 0.000 0.929 649 S CB -0.183 62.962 63.200 -0.090 0.000 0.769 649 S HN 0.448 nan 8.310 nan 0.000 0.529 650 L N 1.433 122.463 121.223 -0.323 0.000 2.529 650 L HA 0.309 4.649 4.340 -0.000 0.000 0.223 650 L C 0.715 177.355 176.870 -0.383 0.000 1.113 650 L CA -0.121 54.492 54.840 -0.377 0.000 0.861 650 L CB 0.279 42.027 42.059 -0.519 0.000 1.012 650 L HN 0.373 nan 8.230 nan 0.000 0.461 651 V N 0.000 119.694 119.914 -0.367 0.000 2.409 651 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 651 V CA 0.000 62.156 62.300 -0.240 0.000 1.235 651 V CB 0.000 31.693 31.823 -0.217 0.000 1.184 651 V HN 0.000 nan 8.190 nan 0.000 0.556