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 1v10_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATVALDLHIL NANLDPDGTG ARSAVTAEGT TIAPLITGNI DDRFQINVID DATA SEQUENCE QLTDANMRRA TSIHWHGFFQ AGTTEMDGPA FVNQCPIIPN ESFVYDFVVP DATA SEQUENCE GQAGTYWYHS HLSTQYcDGL RGAFVVYDPN DPHLSLYDVD DASTVITIAD DATA SEQUENCE WYHSLSTXXX XXXXKAPPAP DTTLINGLGR NSANPSAGQL AVVSVQSGKR DATA SEQUENCE YRFRIVSTSc FPNYAFSIDG HRMTVIEVDG VSHQPLTVDS LTIFAGQRYS DATA SEQUENCE VVVEANQAVG NYWIRANPSN GRNGFTGGIN SAIFRYQGAA VAEPTTSQNS DATA SEQUENCE GTALNEANLI PLINPGAPGN PVPGGADINL NLRIGRNATT ADFTINGAPF DATA SEQUENCE IPPTVPVLLQ ILSGVTNPND LLPGGAVISL PANQVIEISI PGGGNHPFHL DATA SEQUENCE HGHNFDVVRT PGSSVYNYVN PVRRDVVSIG GGGDNVTFRF VTDNPGPWFL DATA SEQUENCE HCHIDWHLEA GLAVVFAEDI PNIPIANAIS PAWDDLCPKY NANN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.562 177.584 -0.037 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 2 T N 0.381 114.923 114.554 -0.020 0.000 2.885 2 T HA 0.354 4.703 4.350 -0.000 0.000 0.356 2 T C 1.386 176.082 174.700 -0.007 0.000 1.137 2 T CA 0.356 62.444 62.100 -0.020 0.000 1.014 2 T CB 0.392 69.242 68.868 -0.031 0.000 1.410 2 T HN 0.840 nan 8.240 nan 0.000 0.532 3 V N -0.136 119.738 119.914 -0.067 0.000 2.672 3 V HA 0.361 4.481 4.120 -0.000 0.000 0.242 3 V C 1.136 177.149 176.094 -0.135 0.000 1.059 3 V CA 0.912 63.110 62.300 -0.170 0.000 1.081 3 V CB -0.096 31.453 31.823 -0.456 0.000 0.752 3 V HN 0.927 nan 8.190 nan 0.000 0.472 4 A N 0.927 123.675 122.820 -0.119 0.000 2.280 4 A HA 0.702 5.022 4.320 -0.000 0.000 0.320 4 A C -0.970 176.585 177.584 -0.047 0.000 1.366 4 A CA -0.018 51.967 52.037 -0.086 0.000 0.938 4 A CB 0.482 19.428 19.000 -0.090 0.000 1.157 4 A HN 0.321 nan 8.150 nan 0.000 0.536 5 L N 1.712 122.917 121.223 -0.030 0.000 2.469 5 L HA 0.546 4.886 4.340 -0.000 0.000 0.256 5 L C -1.155 175.715 176.870 -0.001 0.000 1.006 5 L CA -0.410 54.425 54.840 -0.008 0.000 0.832 5 L CB 2.179 44.236 42.059 -0.004 0.000 1.421 5 L HN 0.599 nan 8.230 nan 0.000 0.410 6 D N 2.027 122.430 120.400 0.004 0.000 2.348 6 D HA 0.552 5.192 4.640 -0.000 0.000 0.249 6 D C -0.845 175.442 176.300 -0.021 0.000 1.110 6 D CA 0.181 54.153 54.000 -0.046 0.000 0.967 6 D CB 1.728 42.463 40.800 -0.109 0.000 1.139 6 D HN 0.382 nan 8.370 nan 0.000 0.466 7 L N 2.106 123.287 121.223 -0.070 0.000 2.549 7 L HA 0.094 4.434 4.340 -0.000 0.000 0.260 7 L C -0.352 176.540 176.870 0.037 0.000 1.109 7 L CA -0.557 54.316 54.840 0.056 0.000 0.900 7 L CB 1.084 43.224 42.059 0.135 0.000 1.119 7 L HN 0.292 nan 8.230 nan 0.000 0.471 8 H N 3.662 122.812 119.070 0.134 0.000 2.897 8 H HA 0.229 4.785 4.556 -0.000 0.000 0.347 8 H C -0.318 175.095 175.328 0.141 0.000 1.068 8 H CA -0.014 56.111 56.048 0.128 0.000 1.426 8 H CB 1.663 31.488 29.762 0.105 0.000 1.410 8 H HN 0.192 nan 8.280 nan 0.000 0.597 9 I N 5.135 125.847 120.570 0.235 0.000 2.406 9 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 9 I C -0.073 176.149 176.117 0.174 0.000 0.999 9 I CA -0.619 60.798 61.300 0.195 0.000 1.124 9 I CB 1.206 39.309 38.000 0.171 0.000 1.289 9 I HN 0.341 nan 8.210 nan 0.000 0.441 10 L N 4.010 125.328 121.223 0.158 0.000 2.582 10 L HA 0.594 4.934 4.340 -0.000 0.000 0.257 10 L C -0.732 176.211 176.870 0.123 0.000 0.974 10 L CA -0.731 54.189 54.840 0.133 0.000 0.851 10 L CB 1.067 43.201 42.059 0.126 0.000 1.424 10 L HN 0.397 nan 8.230 nan 0.000 0.412 11 N N 0.726 119.490 118.700 0.106 0.000 2.347 11 N HA 0.802 5.542 4.740 -0.000 0.000 0.253 11 N C -0.207 175.365 175.510 0.104 0.000 1.274 11 N CA 0.160 53.274 53.050 0.106 0.000 0.941 11 N CB 1.757 40.299 38.487 0.092 0.000 1.200 11 N HN 0.944 nan 8.380 nan 0.000 0.514 12 A N 0.323 123.209 122.820 0.110 0.000 2.586 12 A HA 0.324 4.644 4.320 -0.000 0.000 0.296 12 A C -1.622 176.034 177.584 0.120 0.000 1.040 12 A CA -0.846 51.253 52.037 0.104 0.000 0.701 12 A CB 0.303 19.364 19.000 0.103 0.000 1.277 12 A HN 0.698 nan 8.150 nan 0.000 0.413 13 N N 0.705 119.465 118.700 0.101 0.000 2.462 13 N HA 0.581 5.321 4.740 -0.000 0.000 0.242 13 N C -0.880 174.695 175.510 0.108 0.000 1.010 13 N CA -0.109 53.007 53.050 0.110 0.000 0.939 13 N CB 0.945 39.481 38.487 0.082 0.000 1.127 13 N HN 0.548 nan 8.380 nan 0.000 0.509 14 L N 1.377 122.695 121.223 0.158 0.000 2.334 14 L HA 0.543 4.883 4.340 -0.000 0.000 0.273 14 L C -0.578 176.342 176.870 0.083 0.000 1.013 14 L CA -0.983 53.921 54.840 0.108 0.000 0.816 14 L CB 1.521 43.654 42.059 0.123 0.000 1.278 14 L HN 0.491 nan 8.230 nan 0.000 0.431 15 D N 0.004 120.385 120.400 -0.032 0.000 2.552 15 D HA 0.254 4.894 4.640 -0.000 0.000 0.285 15 D C -2.254 173.944 176.300 -0.169 0.000 1.206 15 D CA -1.135 52.828 54.000 -0.062 0.000 0.826 15 D CB 0.852 41.638 40.800 -0.024 0.000 1.179 15 D HN 0.167 nan 8.370 nan 0.000 0.508 16 P HA -0.031 nan 4.420 nan 0.000 0.230 16 P C 0.305 177.451 177.300 -0.257 0.000 1.158 16 P CA 0.959 63.812 63.100 -0.411 0.000 0.769 16 P CB 0.286 31.486 31.700 -0.832 0.000 0.807 17 D N -3.591 116.706 120.400 -0.172 0.000 2.500 17 D HA 0.207 4.847 4.640 -0.000 0.000 0.218 17 D C 1.352 177.629 176.300 -0.038 0.000 1.140 17 D CA 0.413 54.370 54.000 -0.071 0.000 0.830 17 D CB -0.463 40.340 40.800 0.004 0.000 1.055 17 D HN 0.092 nan 8.370 nan 0.000 0.512 18 G N -0.572 108.198 108.800 -0.049 0.000 2.176 18 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.232 18 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.232 18 G C 1.148 176.035 174.900 -0.023 0.000 0.986 18 G CA 0.540 45.621 45.100 -0.030 0.000 0.643 18 G HN 0.333 nan 8.290 nan 0.000 0.522 19 T N -0.145 114.390 114.554 -0.032 0.000 2.978 19 T HA 0.468 4.817 4.350 -0.000 0.000 0.262 19 T C 1.102 175.758 174.700 -0.073 0.000 1.063 19 T CA 2.048 64.124 62.100 -0.041 0.000 1.140 19 T CB 0.014 68.859 68.868 -0.037 0.000 0.886 19 T HN 1.855 nan 8.240 nan 0.000 0.470 20 G N 0.307 109.053 108.800 -0.090 0.000 2.050 20 G HA2 0.487 4.447 3.960 -0.000 0.000 0.274 20 G HA3 0.487 4.447 3.960 -0.000 0.000 0.274 20 G C -0.637 174.243 174.900 -0.034 0.000 1.733 20 G CA -0.468 44.593 45.100 -0.065 0.000 0.905 20 G HN 0.363 nan 8.290 nan 0.000 0.728 21 A N 1.729 124.556 122.820 0.011 0.000 2.507 21 A HA 0.751 5.071 4.320 -0.000 0.000 0.235 21 A C 0.845 178.485 177.584 0.094 0.000 1.070 21 A CA 1.019 53.091 52.037 0.059 0.000 0.768 21 A CB 0.347 19.378 19.000 0.052 0.000 1.011 21 A HN 1.967 nan 8.150 nan 0.000 0.502 22 R N 0.386 120.984 120.500 0.164 0.000 2.626 22 R HA 0.540 4.880 4.340 -0.000 0.000 0.274 22 R C -1.035 175.373 176.300 0.179 0.000 1.031 22 R CA -0.364 55.839 56.100 0.171 0.000 0.898 22 R CB 0.968 31.395 30.300 0.213 0.000 1.222 22 R HN 0.434 nan 8.270 nan 0.000 0.455 23 S N 1.265 117.041 115.700 0.127 0.000 2.509 23 S HA 0.458 4.928 4.470 -0.000 0.000 0.287 23 S C -0.522 174.151 174.600 0.122 0.000 1.248 23 S CA 0.375 58.644 58.200 0.114 0.000 1.089 23 S CB 0.383 63.632 63.200 0.082 0.000 0.900 23 S HN 0.640 nan 8.310 nan 0.000 0.496 24 A N 3.791 126.702 122.820 0.152 0.000 2.479 24 A HA 0.748 5.068 4.320 -0.000 0.000 0.296 24 A C -0.718 176.952 177.584 0.142 0.000 1.121 24 A CA -0.732 51.397 52.037 0.154 0.000 0.743 24 A CB 1.127 20.291 19.000 0.273 0.000 1.323 24 A HN 0.548 nan 8.150 nan 0.000 0.415 25 V N 1.986 121.977 119.914 0.129 0.000 2.432 25 V HA 0.575 4.695 4.120 -0.000 0.000 0.271 25 V C 0.268 176.459 176.094 0.162 0.000 1.046 25 V CA 0.293 62.671 62.300 0.131 0.000 0.945 25 V CB 0.233 32.122 31.823 0.110 0.000 0.992 25 V HN 1.072 nan 8.190 nan 0.000 0.471 26 T N 2.088 116.739 114.554 0.163 0.000 2.754 26 T HA 0.789 5.139 4.350 -0.000 0.000 0.296 26 T C -0.397 174.412 174.700 0.182 0.000 1.205 26 T CA -0.600 61.606 62.100 0.177 0.000 1.009 26 T CB 1.822 70.799 68.868 0.182 0.000 1.368 26 T HN 0.827 nan 8.240 nan 0.000 0.509 27 A N 1.029 123.969 122.820 0.200 0.000 2.274 27 A HA 0.700 5.020 4.320 -0.000 0.000 0.309 27 A C 0.393 178.100 177.584 0.205 0.000 1.226 27 A CA -0.287 51.888 52.037 0.229 0.000 0.853 27 A CB -0.374 18.807 19.000 0.302 0.000 1.146 27 A HN 0.835 nan 8.150 nan 0.000 0.518 28 E N 0.395 120.718 120.200 0.204 0.000 4.619 28 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 28 E C 0.600 177.275 176.600 0.125 0.000 1.490 28 E CA 1.496 57.994 56.400 0.163 0.000 2.467 28 E CB -1.181 28.619 29.700 0.166 0.000 2.095 28 E HN 1.316 nan 8.360 nan 0.000 0.456 29 G N 0.690 109.547 108.800 0.096 0.000 3.058 29 G HA2 0.500 4.460 3.960 -0.000 0.000 0.316 29 G HA3 0.500 4.460 3.960 -0.000 0.000 0.316 29 G C -0.691 174.257 174.900 0.081 0.000 0.951 29 G CA 0.646 45.795 45.100 0.081 0.000 1.535 29 G HN 0.279 nan 8.290 nan 0.000 0.500 30 T N 0.044 114.656 114.554 0.097 0.000 3.128 30 T HA 0.112 4.462 4.350 -0.000 0.000 0.363 30 T C 0.823 175.583 174.700 0.101 0.000 1.610 30 T CA -0.470 61.680 62.100 0.083 0.000 1.126 30 T CB 1.565 70.482 68.868 0.082 0.000 1.416 30 T HN 0.053 nan 8.240 nan 0.000 0.480 31 T N 1.521 116.113 114.554 0.065 0.000 3.035 31 T HA 0.210 4.559 4.350 -0.000 0.000 0.268 31 T C 0.755 175.534 174.700 0.132 0.000 1.109 31 T CA 0.723 62.878 62.100 0.092 0.000 1.119 31 T CB -0.229 68.582 68.868 -0.095 0.000 0.900 31 T HN 0.397 nan 8.240 nan 0.000 0.503 32 I N 2.020 122.644 120.570 0.089 0.000 2.339 32 I HA 0.476 4.646 4.170 -0.000 0.000 0.290 32 I C 0.577 176.753 176.117 0.099 0.000 0.994 32 I CA -1.139 60.215 61.300 0.091 0.000 1.191 32 I CB 1.206 39.240 38.000 0.056 0.000 1.343 32 I HN 0.024 nan 8.210 nan 0.000 0.458 33 A N 9.381 132.252 122.820 0.085 0.000 2.555 33 A HA 0.268 4.588 4.320 -0.000 0.000 0.233 33 A C -2.164 175.531 177.584 0.185 0.000 1.060 33 A CA -0.584 51.526 52.037 0.122 0.000 0.759 33 A CB -0.642 18.345 19.000 -0.022 0.000 0.995 33 A HN 0.533 nan 8.150 nan 0.000 0.506 34 P HA 0.232 nan 4.420 nan 0.000 0.276 34 P C -0.281 177.177 177.300 0.264 0.000 1.230 34 P CA -0.407 62.824 63.100 0.218 0.000 0.776 34 P CB 0.686 32.500 31.700 0.190 0.000 0.888 35 L N 4.461 125.795 121.223 0.184 0.000 2.559 35 L HA 0.082 4.422 4.340 -0.000 0.000 0.282 35 L C -0.220 176.706 176.870 0.095 0.000 1.232 35 L CA 0.786 55.728 54.840 0.170 0.000 0.885 35 L CB -0.391 41.744 42.059 0.126 0.000 1.131 35 L HN 0.272 nan 8.230 nan 0.000 0.498 36 I N 3.864 124.434 120.570 -0.000 0.000 2.603 36 I HA 0.539 4.708 4.170 -0.000 0.000 0.300 36 I C -0.261 175.633 176.117 -0.370 0.000 1.017 36 I CA -0.473 60.638 61.300 -0.316 0.000 1.098 36 I CB 2.143 39.694 38.000 -0.749 0.000 1.279 36 I HN 0.801 nan 8.210 nan 0.000 0.437 37 T N 1.088 115.518 114.554 -0.207 0.000 2.868 37 T HA 0.856 5.206 4.350 -0.000 0.000 0.306 37 T C -0.506 174.325 174.700 0.218 0.000 1.224 37 T CA -0.717 61.404 62.100 0.035 0.000 1.012 37 T CB 2.280 71.297 68.868 0.248 0.000 1.221 37 T HN 0.868 nan 8.240 nan 0.000 0.499 38 G N 0.914 109.954 108.800 0.400 0.000 2.815 38 G HA2 0.653 4.613 3.960 -0.000 0.000 0.305 38 G HA3 0.653 4.613 3.960 -0.000 0.000 0.305 38 G C -1.789 173.301 174.900 0.316 0.000 1.277 38 G CA -0.848 44.450 45.100 0.331 0.000 0.795 38 G HN 0.792 nan 8.290 nan 0.000 0.528 39 N N -0.724 118.076 118.700 0.167 0.000 2.381 39 N HA 0.407 5.147 4.740 -0.000 0.000 0.294 39 N C -0.520 175.053 175.510 0.105 0.000 1.216 39 N CA -0.670 52.474 53.050 0.156 0.000 0.803 39 N CB 2.415 40.953 38.487 0.085 0.000 1.372 39 N HN 0.601 nan 8.380 nan 0.000 0.500 40 I N 1.053 121.690 120.570 0.111 0.000 2.752 40 I HA -0.145 4.025 4.170 -0.000 0.000 0.289 40 I C 0.503 176.629 176.117 0.016 0.000 1.197 40 I CA 1.182 62.528 61.300 0.076 0.000 1.432 40 I CB 0.230 38.280 38.000 0.083 0.000 1.359 40 I HN 0.655 nan 8.210 nan 0.000 0.571 41 D N 3.678 124.072 120.400 -0.010 0.000 2.876 41 D HA -0.196 4.443 4.640 -0.000 0.000 0.196 41 D C 0.016 176.245 176.300 -0.118 0.000 1.014 41 D CA 1.094 55.065 54.000 -0.048 0.000 1.012 41 D CB -1.063 39.718 40.800 -0.032 0.000 1.080 41 D HN 0.689 nan 8.370 nan 0.000 0.438 42 D N 0.298 120.597 120.400 -0.168 0.000 2.364 42 D HA 0.140 4.780 4.640 -0.000 0.000 0.236 42 D C 0.726 176.726 176.300 -0.500 0.000 1.221 42 D CA 0.327 54.101 54.000 -0.377 0.000 0.891 42 D CB 0.388 40.849 40.800 -0.564 0.000 1.190 42 D HN 0.205 nan 8.370 nan 0.000 0.449 43 R N 1.813 121.957 120.500 -0.594 0.000 2.288 43 R HA 0.264 4.604 4.340 -0.000 0.000 0.326 43 R C -1.100 174.771 176.300 -0.715 0.000 0.959 43 R CA -0.531 55.253 56.100 -0.526 0.000 0.834 43 R CB 0.114 30.225 30.300 -0.314 0.000 1.157 43 R HN 0.207 nan 8.270 nan 0.000 0.470 44 F N 2.454 121.992 119.950 -0.686 0.000 2.394 44 F HA 0.275 4.802 4.527 -0.000 0.000 0.340 44 F C 0.698 176.176 175.800 -0.536 0.000 1.105 44 F CA -0.162 57.413 58.000 -0.708 0.000 1.124 44 F CB 1.734 40.039 39.000 -1.158 0.000 1.145 44 F HN 0.329 nan 8.300 nan 0.000 0.505 45 Q N 4.191 123.883 119.800 -0.180 0.000 3.064 45 Q HA 0.383 4.723 4.340 -0.000 0.000 0.258 45 Q C -1.066 174.901 176.000 -0.055 0.000 0.972 45 Q CA -0.160 55.574 55.803 -0.115 0.000 0.761 45 Q CB 1.189 29.855 28.738 -0.120 0.000 1.281 45 Q HN 0.607 nan 8.270 nan 0.000 0.455 46 I N 1.495 122.058 120.570 -0.011 0.000 2.313 46 I HA 0.118 4.288 4.170 -0.000 0.000 0.286 46 I C 0.303 176.520 176.117 0.167 0.000 1.091 46 I CA -0.212 61.109 61.300 0.036 0.000 1.216 46 I CB 0.519 38.462 38.000 -0.095 0.000 1.434 46 I HN 0.361 nan 8.210 nan 0.000 0.487 47 N N 5.807 124.561 118.700 0.090 0.000 2.406 47 N HA 0.083 4.823 4.740 -0.000 0.000 0.269 47 N C -0.637 174.949 175.510 0.128 0.000 1.210 47 N CA -0.227 52.875 53.050 0.088 0.000 0.966 47 N CB 0.600 39.091 38.487 0.007 0.000 1.293 47 N HN 0.260 nan 8.380 nan 0.000 0.491 48 V N 5.918 125.999 119.914 0.278 0.000 2.432 48 V HA 0.194 4.314 4.120 -0.000 0.000 0.271 48 V C 0.536 176.737 176.094 0.179 0.000 1.046 48 V CA -0.237 62.221 62.300 0.262 0.000 0.945 48 V CB 0.929 33.014 31.823 0.438 0.000 0.992 48 V HN 0.502 nan 8.190 nan 0.000 0.471 49 I N 4.573 125.188 120.570 0.075 0.000 2.306 49 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 49 I C 0.028 176.220 176.117 0.125 0.000 1.036 49 I CA -0.425 60.913 61.300 0.064 0.000 1.221 49 I CB 1.177 39.145 38.000 -0.054 0.000 1.385 49 I HN 0.513 nan 8.210 nan 0.000 0.472 50 D N 6.741 127.224 120.400 0.139 0.000 2.339 50 D HA 0.080 4.719 4.640 -0.000 0.000 0.256 50 D C 0.122 176.501 176.300 0.131 0.000 1.214 50 D CA 0.420 54.503 54.000 0.138 0.000 0.877 50 D CB 0.970 41.846 40.800 0.128 0.000 1.111 50 D HN 0.522 nan 8.370 nan 0.000 0.478 51 Q N 3.122 123.005 119.800 0.139 0.000 2.110 51 Q HA 0.228 4.567 4.340 -0.000 0.000 0.232 51 Q C -0.077 175.988 176.000 0.107 0.000 0.810 51 Q CA -0.367 55.513 55.803 0.127 0.000 1.083 51 Q CB 0.877 29.707 28.738 0.153 0.000 1.193 51 Q HN 0.430 nan 8.270 nan 0.000 0.471 52 L N 0.958 122.243 121.223 0.103 0.000 2.426 52 L HA 0.137 4.476 4.340 -0.000 0.000 0.271 52 L C 1.283 178.199 176.870 0.077 0.000 1.169 52 L CA 0.582 55.477 54.840 0.093 0.000 0.836 52 L CB 0.800 42.916 42.059 0.094 0.000 1.112 52 L HN 0.232 nan 8.230 nan 0.000 0.465 53 T N -4.134 110.462 114.554 0.070 0.000 2.993 53 T HA 0.051 4.401 4.350 -0.000 0.000 0.260 53 T C 0.289 175.021 174.700 0.054 0.000 0.939 53 T CA -0.384 61.751 62.100 0.058 0.000 0.886 53 T CB 0.179 69.080 68.868 0.055 0.000 1.209 53 T HN 0.394 nan 8.240 nan 0.000 0.518 54 D N 2.071 122.507 120.400 0.059 0.000 2.352 54 D HA 0.537 5.177 4.640 -0.000 0.000 0.245 54 D C 1.268 177.598 176.300 0.050 0.000 1.224 54 D CA -0.076 53.956 54.000 0.053 0.000 0.879 54 D CB 1.300 42.135 40.800 0.058 0.000 1.057 54 D HN 0.337 nan 8.370 nan 0.000 0.491 55 A N 4.481 127.327 122.820 0.042 0.000 2.216 55 A HA -0.136 4.183 4.320 -0.000 0.000 0.214 55 A C 1.665 179.270 177.584 0.035 0.000 1.160 55 A CA 0.575 52.634 52.037 0.037 0.000 0.725 55 A CB -0.136 18.882 19.000 0.029 0.000 0.784 55 A HN 0.545 nan 8.150 nan 0.000 0.472 56 N N -1.087 117.635 118.700 0.037 0.000 2.412 56 N HA 0.138 4.878 4.740 -0.000 0.000 0.184 56 N C 0.756 176.287 175.510 0.036 0.000 1.101 56 N CA 0.530 53.600 53.050 0.034 0.000 0.881 56 N CB 0.064 38.572 38.487 0.034 0.000 0.969 56 N HN 0.533 nan 8.380 nan 0.000 0.459 57 M N -0.610 119.015 119.600 0.041 0.000 2.407 57 M HA 0.321 4.801 4.480 -0.000 0.000 0.235 57 M C 0.177 176.507 176.300 0.049 0.000 0.846 57 M CA -0.586 54.739 55.300 0.041 0.000 1.540 57 M CB 1.289 33.914 32.600 0.042 0.000 1.274 57 M HN -0.348 nan 8.290 nan 0.000 0.802 58 R N 0.345 120.879 120.500 0.056 0.000 2.532 58 R HA 0.432 4.772 4.340 -0.000 0.000 0.295 58 R C 0.123 176.470 176.300 0.078 0.000 0.968 58 R CA -0.172 55.971 56.100 0.072 0.000 0.916 58 R CB 1.387 31.733 30.300 0.077 0.000 1.124 58 R HN 0.565 nan 8.270 nan 0.000 0.463 59 R N 0.733 121.284 120.500 0.086 0.000 2.335 59 R HA 0.233 4.573 4.340 -0.000 0.000 0.210 59 R C 0.437 176.798 176.300 0.101 0.000 0.892 59 R CA 0.010 56.160 56.100 0.085 0.000 1.048 59 R CB 0.938 31.280 30.300 0.070 0.000 1.067 59 R HN 0.538 nan 8.270 nan 0.000 0.524 60 A N 0.602 123.497 122.820 0.125 0.000 2.259 60 A HA 0.502 4.822 4.320 -0.000 0.000 0.278 60 A C 0.015 177.663 177.584 0.105 0.000 1.107 60 A CA 0.170 52.296 52.037 0.148 0.000 0.828 60 A CB 1.100 20.257 19.000 0.262 0.000 1.111 60 A HN 0.059 nan 8.150 nan 0.000 0.498 61 T N -1.119 113.481 114.554 0.077 0.000 2.886 61 T HA 0.546 4.896 4.350 -0.000 0.000 0.330 61 T C -1.359 173.356 174.700 0.024 0.000 1.488 61 T CA 0.110 62.244 62.100 0.058 0.000 1.054 61 T CB 1.276 70.199 68.868 0.092 0.000 1.348 61 T HN 1.453 nan 8.240 nan 0.000 0.489 62 S N 2.902 118.609 115.700 0.013 0.000 2.572 62 S HA 0.722 5.191 4.470 -0.000 0.000 0.274 62 S C -1.340 173.255 174.600 -0.009 0.000 1.150 62 S CA -0.758 57.461 58.200 0.031 0.000 0.944 62 S CB 0.646 63.800 63.200 -0.076 0.000 1.071 62 S HN 0.618 nan 8.310 nan 0.000 0.479 63 I N 4.227 124.754 120.570 -0.071 0.000 2.412 63 I HA 0.376 4.546 4.170 -0.000 0.000 0.296 63 I C -0.327 175.310 176.117 -0.799 0.000 0.987 63 I CA -0.686 60.290 61.300 -0.541 0.000 1.180 63 I CB 1.591 39.066 38.000 -0.876 0.000 1.340 63 I HN 0.765 nan 8.210 nan 0.000 0.455 64 H N 5.358 123.822 119.070 -1.010 0.000 2.469 64 H HA 0.397 4.953 4.556 -0.000 0.000 0.342 64 H C -1.649 172.940 175.328 -1.233 0.000 1.115 64 H CA -0.813 54.632 56.048 -1.006 0.000 1.204 64 H CB 0.975 30.252 29.762 -0.809 0.000 1.492 64 H HN 0.376 nan 8.280 nan 0.000 0.499 65 W N 5.238 126.052 121.300 -0.810 0.000 2.316 65 W HA 0.227 4.887 4.660 -0.000 0.000 0.339 65 W C -0.049 175.746 176.519 -1.206 0.000 1.002 65 W CA -0.914 55.959 57.345 -0.786 0.000 1.465 65 W CB -0.141 28.991 29.460 -0.546 0.000 1.300 65 W HN 0.661 nan 8.180 nan 0.000 0.378 66 H N 1.708 120.047 119.070 -1.218 0.000 2.722 66 H HA 0.395 4.951 4.556 -0.000 0.000 0.328 66 H C 1.453 176.415 175.328 -0.610 0.000 1.067 66 H CA 1.213 56.652 56.048 -1.014 0.000 1.447 66 H CB 0.768 30.000 29.762 -0.882 0.000 1.469 66 H HN 0.806 nan 8.280 nan 0.000 0.544 67 G N 3.703 112.340 108.800 -0.272 0.000 2.179 67 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 67 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 67 G C -0.304 174.315 174.900 -0.468 0.000 0.977 67 G CA 0.093 45.108 45.100 -0.142 0.000 0.641 67 G HN 0.458 nan 8.290 nan 0.000 0.533 68 F N 0.396 120.045 119.950 -0.501 0.000 2.404 68 F HA 0.698 5.225 4.527 -0.000 0.000 0.345 68 F C 1.270 176.856 175.800 -0.357 0.000 1.110 68 F CA -1.592 56.035 58.000 -0.621 0.000 1.130 68 F CB 0.650 39.261 39.000 -0.648 0.000 1.129 68 F HN -0.103 nan 8.300 nan 0.000 0.500 69 F N 0.129 120.018 119.950 -0.102 0.000 2.293 69 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 69 F C 1.394 177.078 175.800 -0.193 0.000 1.086 69 F CA 0.515 58.352 58.000 -0.272 0.000 1.375 69 F CB -0.731 38.129 39.000 -0.233 0.000 1.045 69 F HN 0.385 nan 8.300 nan 0.000 0.516 70 Q N -0.861 119.025 119.800 0.142 0.000 2.457 70 Q HA -0.205 4.135 4.340 -0.000 0.000 0.283 70 Q C 0.293 176.472 176.000 0.298 0.000 1.234 70 Q CA 0.824 56.756 55.803 0.215 0.000 0.877 70 Q CB -2.232 26.697 28.738 0.318 0.000 1.250 70 Q HN 0.398 nan 8.270 nan 0.000 0.481 71 A N -0.306 122.644 122.820 0.217 0.000 2.491 71 A HA 0.461 4.781 4.320 -0.000 0.000 0.261 71 A C 1.560 179.234 177.584 0.151 0.000 1.101 71 A CA 1.081 53.233 52.037 0.191 0.000 0.772 71 A CB 0.063 19.137 19.000 0.124 0.000 1.043 71 A HN 1.194 nan 8.150 nan 0.000 0.501 72 G N 2.018 110.899 108.800 0.136 0.000 2.184 72 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 72 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 72 G C 0.560 175.499 174.900 0.066 0.000 0.975 72 G CA 1.289 46.435 45.100 0.077 0.000 0.642 72 G HN 2.121 nan 8.290 nan 0.000 0.536 73 T N -3.283 111.341 114.554 0.116 0.000 3.448 73 T HA 0.510 4.860 4.350 -0.000 0.000 0.271 73 T C 1.105 175.866 174.700 0.102 0.000 1.002 73 T CA 1.048 63.212 62.100 0.107 0.000 0.995 73 T CB 0.914 69.890 68.868 0.179 0.000 1.153 73 T HN 0.206 nan 8.240 nan 0.000 0.510 74 T N 2.299 116.859 114.554 0.011 0.000 2.881 74 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 74 T C 1.948 176.565 174.700 -0.137 0.000 1.068 74 T CA 1.810 63.840 62.100 -0.116 0.000 1.131 74 T CB -0.240 68.390 68.868 -0.395 0.000 0.871 74 T HN 0.705 nan 8.240 nan 0.000 0.479 75 E N 0.177 120.259 120.200 -0.196 0.000 2.409 75 E HA -0.090 4.260 4.350 -0.000 0.000 0.198 75 E C 1.485 178.160 176.600 0.126 0.000 1.024 75 E CA 0.702 56.946 56.400 -0.260 0.000 0.861 75 E CB -0.248 28.926 29.700 -0.877 0.000 0.788 75 E HN 0.461 nan 8.360 nan 0.000 0.521 76 M N 0.696 120.422 119.600 0.210 0.000 2.441 76 M HA 0.093 4.573 4.480 -0.000 0.000 0.244 76 M C 1.035 177.643 176.300 0.514 0.000 1.122 76 M CA 0.472 56.033 55.300 0.436 0.000 1.041 76 M CB -0.251 32.597 32.600 0.413 0.000 1.438 76 M HN -0.002 nan 8.290 nan 0.000 0.484 77 D N 0.727 121.327 120.400 0.334 0.000 2.144 77 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 77 D C 1.710 178.193 176.300 0.305 0.000 0.984 77 D CA 2.338 56.553 54.000 0.359 0.000 0.834 77 D CB 0.308 41.333 40.800 0.375 0.000 0.955 77 D HN 0.501 nan 8.370 nan 0.000 0.465 78 G N -1.346 107.582 108.800 0.214 0.000 2.436 78 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.204 78 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.204 78 G C -1.971 172.920 174.900 -0.015 0.000 1.026 78 G CA -0.215 44.946 45.100 0.103 0.000 0.658 78 G HN 0.299 nan 8.290 nan 0.000 0.499 79 P HA 0.411 nan 4.420 nan 0.000 0.261 79 P C 0.401 177.638 177.300 -0.106 0.000 1.183 79 P CA 0.927 64.068 63.100 0.070 0.000 0.761 79 P CB 0.780 32.363 31.700 -0.196 0.000 0.785 80 A N 4.819 127.555 122.820 -0.140 0.000 2.548 80 A HA 0.126 4.446 4.320 -0.000 0.000 0.247 80 A C 0.529 177.844 177.584 -0.448 0.000 1.067 80 A CA 0.023 51.726 52.037 -0.555 0.000 0.757 80 A CB -1.304 17.347 19.000 -0.582 0.000 0.996 80 A HN 0.693 nan 8.150 nan 0.000 0.504 81 F N 0.141 120.024 119.950 -0.111 0.000 3.079 81 F HA -0.303 4.223 4.527 -0.000 0.000 0.285 81 F C 1.061 176.818 175.800 -0.071 0.000 0.819 81 F CA 0.676 58.623 58.000 -0.088 0.000 1.067 81 F CB -2.117 36.853 39.000 -0.050 0.000 1.263 81 F HN 0.286 nan 8.300 nan 0.000 0.458 82 V N -1.157 118.705 119.914 -0.087 0.000 2.868 82 V HA 0.005 4.125 4.120 -0.000 0.000 0.227 82 V C 1.522 177.528 176.094 -0.146 0.000 1.136 82 V CA 1.563 63.736 62.300 -0.210 0.000 1.206 82 V CB -0.236 31.215 31.823 -0.620 0.000 0.997 82 V HN 0.222 nan 8.190 nan 0.000 0.505 83 N N 0.396 119.003 118.700 -0.155 0.000 2.392 83 N HA 0.106 4.846 4.740 -0.000 0.000 0.177 83 N C 0.380 175.983 175.510 0.155 0.000 1.066 83 N CA 0.117 53.145 53.050 -0.035 0.000 0.895 83 N CB 0.272 38.720 38.487 -0.065 0.000 0.988 83 N HN 0.773 nan 8.380 nan 0.000 0.457 84 Q N -1.547 118.244 119.800 -0.016 0.000 2.590 84 Q HA 0.492 4.832 4.340 -0.000 0.000 0.295 84 Q C -1.548 174.209 176.000 -0.405 0.000 0.973 84 Q CA -0.986 54.731 55.803 -0.143 0.000 0.768 84 Q CB 0.926 29.544 28.738 -0.200 0.000 1.479 84 Q HN -0.098 nan 8.270 nan 0.000 0.419 85 C N 2.027 121.003 119.300 -0.540 0.000 2.405 85 C HA 0.577 5.037 4.460 -0.000 0.000 0.365 85 C C -2.142 172.463 174.990 -0.642 0.000 1.233 85 C CA -0.891 57.746 59.018 -0.634 0.000 2.230 85 C CB 0.304 27.760 27.740 -0.474 0.000 2.443 85 C HN 0.650 nan 8.230 nan 0.000 0.556 86 P HA 0.131 nan 4.420 nan 0.000 0.268 86 P C -0.585 176.596 177.300 -0.198 0.000 1.208 86 P CA 0.247 63.092 63.100 -0.426 0.000 0.777 86 P CB 0.208 31.699 31.700 -0.350 0.000 0.875 87 I N 2.445 122.959 120.570 -0.093 0.000 2.588 87 I HA 0.064 4.234 4.170 -0.000 0.000 0.283 87 I C 0.756 176.928 176.117 0.091 0.000 1.119 87 I CA -0.058 61.246 61.300 0.007 0.000 1.419 87 I CB -0.050 37.994 38.000 0.074 0.000 1.394 87 I HN 0.120 nan 8.210 nan 0.000 0.562 88 I N 7.633 128.266 120.570 0.105 0.000 2.499 88 I HA 0.316 4.486 4.170 -0.000 0.000 0.296 88 I C -2.037 174.137 176.117 0.094 0.000 0.992 88 I CA -2.968 58.399 61.300 0.113 0.000 1.297 88 I CB 0.458 38.511 38.000 0.089 0.000 1.410 88 I HN 0.221 nan 8.210 nan 0.000 0.507 89 P HA 0.066 nan 4.420 nan 0.000 0.265 89 P C -0.004 177.339 177.300 0.072 0.000 1.187 89 P CA 0.562 63.711 63.100 0.081 0.000 0.766 89 P CB 0.271 32.013 31.700 0.070 0.000 0.820 90 N N -1.112 117.635 118.700 0.079 0.000 2.925 90 N HA -0.143 4.597 4.740 -0.000 0.000 0.244 90 N C -0.245 175.309 175.510 0.074 0.000 1.000 90 N CA 1.291 54.384 53.050 0.072 0.000 0.895 90 N CB -0.936 37.585 38.487 0.057 0.000 1.119 90 N HN 0.528 nan 8.380 nan 0.000 0.569 91 E N -0.871 119.380 120.200 0.084 0.000 2.431 91 E HA 0.769 5.119 4.350 -0.000 0.000 0.268 91 E C -0.058 176.608 176.600 0.110 0.000 0.953 91 E CA -0.510 55.943 56.400 0.088 0.000 0.810 91 E CB 1.873 31.622 29.700 0.082 0.000 1.369 91 E HN 0.161 nan 8.360 nan 0.000 0.440 92 S N -0.283 115.492 115.700 0.125 0.000 2.596 92 S HA 0.805 5.275 4.470 -0.000 0.000 0.270 92 S C -1.380 173.359 174.600 0.231 0.000 1.155 92 S CA -0.815 57.477 58.200 0.153 0.000 0.827 92 S CB 1.652 64.912 63.200 0.098 0.000 1.130 92 S HN 0.491 nan 8.310 nan 0.000 0.467 93 F N 0.723 120.712 119.950 0.066 0.000 2.654 93 F HA 0.575 5.102 4.527 -0.000 0.000 0.314 93 F C -1.694 174.158 175.800 0.087 0.000 1.116 93 F CA -0.666 57.350 58.000 0.027 0.000 1.017 93 F CB 1.553 40.518 39.000 -0.058 0.000 1.285 93 F HN 0.708 nan 8.300 nan 0.000 0.448 94 V N 7.665 127.189 119.914 -0.651 0.000 2.334 94 V HA 0.367 4.487 4.120 -0.000 0.000 0.267 94 V C -1.161 174.615 176.094 -0.530 0.000 1.040 94 V CA -0.250 61.829 62.300 -0.370 0.000 0.866 94 V CB 0.188 31.860 31.823 -0.252 0.000 1.019 94 V HN 0.634 nan 8.190 nan 0.000 0.468 95 Y N 4.989 125.289 120.300 0.001 0.000 2.496 95 Y HA 0.361 4.911 4.550 -0.000 0.000 0.334 95 Y C 0.611 176.575 175.900 0.107 0.000 1.080 95 Y CA 0.045 58.296 58.100 0.253 0.000 1.355 95 Y CB 0.554 39.326 38.460 0.521 0.000 1.193 95 Y HN 0.636 nan 8.280 nan 0.000 0.523 96 D N 5.820 126.356 120.400 0.227 0.000 2.473 96 D HA 0.291 4.930 4.640 -0.000 0.000 0.253 96 D C -1.348 175.059 176.300 0.178 0.000 1.233 96 D CA -0.397 53.652 54.000 0.081 0.000 0.908 96 D CB 0.223 41.005 40.800 -0.030 0.000 1.170 96 D HN 0.298 nan 8.370 nan 0.000 0.558 97 F N 1.419 121.351 119.950 -0.030 0.000 2.664 97 F HA 0.762 5.289 4.527 -0.000 0.000 0.317 97 F C -1.256 174.512 175.800 -0.053 0.000 1.108 97 F CA -1.154 56.821 58.000 -0.042 0.000 0.957 97 F CB 0.874 39.839 39.000 -0.058 0.000 1.365 97 F HN 0.016 nan 8.300 nan 0.000 0.475 98 V N -0.624 119.290 119.914 -0.000 0.000 2.815 98 V HA 0.804 4.924 4.120 -0.000 0.000 0.314 98 V C -0.900 175.182 176.094 -0.019 0.000 1.064 98 V CA -1.030 61.213 62.300 -0.095 0.000 0.952 98 V CB 1.418 33.201 31.823 -0.067 0.000 1.020 98 V HN 0.839 nan 8.190 nan 0.000 0.439 99 V N 3.372 123.231 119.914 -0.091 0.000 2.326 99 V HA 0.289 4.409 4.120 -0.000 0.000 0.254 99 V C -1.612 174.445 176.094 -0.060 0.000 1.022 99 V CA -1.177 61.039 62.300 -0.139 0.000 1.074 99 V CB 0.150 31.802 31.823 -0.285 0.000 1.305 99 V HN 0.759 nan 8.190 nan 0.000 0.506 100 P HA -0.150 nan 4.420 nan 0.000 0.212 100 P C 1.167 178.480 177.300 0.022 0.000 1.174 100 P CA 1.904 65.009 63.100 0.008 0.000 0.934 100 P CB 0.244 31.969 31.700 0.043 0.000 0.791 101 G N -1.064 107.764 108.800 0.046 0.000 4.912 101 G HA2 0.262 4.222 3.960 -0.000 0.000 0.307 101 G HA3 0.262 4.222 3.960 -0.000 0.000 0.307 101 G C -0.706 174.231 174.900 0.062 0.000 1.381 101 G CA -0.162 44.976 45.100 0.063 0.000 1.057 101 G HN 0.213 nan 8.290 nan 0.000 0.593 102 Q N 0.393 120.215 119.800 0.038 0.000 2.337 102 Q HA 0.619 4.959 4.340 -0.000 0.000 0.260 102 Q C -0.617 175.477 176.000 0.158 0.000 0.982 102 Q CA -0.657 55.181 55.803 0.058 0.000 0.734 102 Q CB 2.464 31.161 28.738 -0.067 0.000 1.272 102 Q HN 0.314 nan 8.270 nan 0.000 0.461 103 A N 1.626 124.561 122.820 0.192 0.000 2.299 103 A HA 1.042 5.362 4.320 -0.000 0.000 0.332 103 A C 0.293 178.041 177.584 0.273 0.000 1.131 103 A CA 0.116 52.291 52.037 0.230 0.000 0.844 103 A CB 1.412 20.515 19.000 0.171 0.000 1.251 103 A HN 0.891 nan 8.150 nan 0.000 0.486 104 G N -1.037 107.891 108.800 0.212 0.000 2.315 104 G HA2 0.383 4.343 3.960 -0.000 0.000 0.296 104 G HA3 0.383 4.343 3.960 -0.000 0.000 0.296 104 G C -0.682 174.141 174.900 -0.127 0.000 1.289 104 G CA -0.184 44.929 45.100 0.021 0.000 0.996 104 G HN 1.171 nan 8.290 nan 0.000 0.487 105 T N 1.217 115.465 114.554 -0.509 0.000 2.756 105 T HA 0.711 5.061 4.350 -0.000 0.000 0.290 105 T C -0.901 173.346 174.700 -0.754 0.000 0.985 105 T CA 0.109 61.961 62.100 -0.413 0.000 0.955 105 T CB 0.826 69.516 68.868 -0.296 0.000 0.930 105 T HN 0.467 nan 8.240 nan 0.000 0.451 106 Y N 1.233 121.491 120.300 -0.070 0.000 2.833 106 Y HA 0.804 5.354 4.550 -0.000 0.000 0.319 106 Y C -0.283 175.721 175.900 0.174 0.000 1.254 106 Y CA -0.997 57.022 58.100 -0.135 0.000 1.138 106 Y CB 1.424 39.483 38.460 -0.669 0.000 1.352 106 Y HN 0.694 nan 8.280 nan 0.000 0.546 107 W N -0.132 121.157 121.300 -0.018 0.000 2.940 107 W HA 0.624 5.284 4.660 -0.000 0.000 0.394 107 W C -2.340 174.289 176.519 0.184 0.000 1.155 107 W CA -1.894 55.500 57.345 0.082 0.000 1.165 107 W CB 0.548 29.937 29.460 -0.118 0.000 1.492 107 W HN 0.591 nan 8.180 nan 0.000 0.593 108 Y N 0.221 120.517 120.300 -0.007 0.000 2.513 108 Y HA 0.731 5.281 4.550 -0.000 0.000 0.340 108 Y C -1.086 174.563 175.900 -0.418 0.000 1.055 108 Y CA -1.273 56.581 58.100 -0.411 0.000 1.020 108 Y CB 1.514 39.877 38.460 -0.161 0.000 1.301 108 Y HN 0.743 nan 8.280 nan 0.000 0.453 109 H N -0.747 117.956 119.070 -0.612 0.000 3.042 109 H HA 0.557 5.113 4.556 -0.000 0.000 0.346 109 H C -1.013 174.135 175.328 -0.300 0.000 1.294 109 H CA -1.030 54.710 56.048 -0.513 0.000 1.141 109 H CB 1.122 30.348 29.762 -0.893 0.000 1.872 109 H HN 0.794 nan 8.280 nan 0.000 0.541 110 S N 0.129 115.838 115.700 0.015 0.000 2.563 110 S HA -0.043 4.427 4.470 -0.000 0.000 0.284 110 S C -0.024 174.680 174.600 0.174 0.000 1.331 110 S CA -0.155 58.079 58.200 0.056 0.000 1.047 110 S CB -0.021 63.250 63.200 0.119 0.000 0.859 110 S HN 0.877 nan 8.310 nan 0.000 0.514 111 H N 3.246 122.299 119.070 -0.027 0.000 2.651 111 H HA 0.342 4.898 4.556 -0.000 0.000 0.241 111 H C -0.971 174.343 175.328 -0.024 0.000 1.225 111 H CA -0.386 55.669 56.048 0.012 0.000 0.942 111 H CB 0.444 30.184 29.762 -0.036 0.000 1.996 111 H HN 0.537 nan 8.280 nan 0.000 0.600 112 L N 0.462 121.684 121.223 -0.002 0.000 2.349 112 L HA 0.388 4.728 4.340 -0.000 0.000 0.278 112 L C 0.546 177.407 176.870 -0.017 0.000 0.996 112 L CA 0.306 55.126 54.840 -0.033 0.000 0.825 112 L CB 1.657 43.694 42.059 -0.037 0.000 1.243 112 L HN 0.217 nan 8.230 nan 0.000 0.412 113 S N 2.956 118.653 115.700 -0.006 0.000 3.366 113 S HA -0.296 4.174 4.470 -0.000 0.000 0.625 113 S C 0.839 175.350 174.600 -0.148 0.000 2.797 113 S CA 1.741 59.921 58.200 -0.034 0.000 3.953 113 S CB -1.287 61.920 63.200 0.012 0.000 0.301 113 S HN 1.052 nan 8.310 nan 0.000 1.237 114 T N 1.630 116.067 114.554 -0.195 0.000 3.264 114 T HA 0.299 4.649 4.350 -0.000 0.000 0.257 114 T C 1.135 175.643 174.700 -0.320 0.000 0.976 114 T CA 0.571 62.417 62.100 -0.424 0.000 0.908 114 T CB 0.341 68.843 68.868 -0.610 0.000 1.082 114 T HN 0.592 nan 8.240 nan 0.000 0.567 115 Q N 1.124 120.846 119.800 -0.130 0.000 2.297 115 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 115 Q C 1.870 177.874 176.000 0.007 0.000 0.962 115 Q CA 1.025 56.801 55.803 -0.044 0.000 0.879 115 Q CB -0.250 28.503 28.738 0.025 0.000 0.947 115 Q HN 0.800 nan 8.270 nan 0.000 0.462 116 Y N -0.723 119.533 120.300 -0.073 0.000 2.421 116 Y HA -0.084 4.466 4.550 -0.000 0.000 0.292 116 Y C 1.783 177.666 175.900 -0.029 0.000 1.136 116 Y CA 0.696 58.791 58.100 -0.009 0.000 1.255 116 Y CB -0.908 37.582 38.460 0.051 0.000 0.991 116 Y HN 0.183 nan 8.280 nan 0.000 0.552 117 c N 0.989 119.351 118.600 -0.398 0.000 2.448 117 c HA -0.083 4.487 4.570 -0.000 0.000 0.280 117 c C 1.746 175.734 174.090 -0.170 0.000 1.398 117 c CA 0.761 56.867 56.329 -0.372 0.000 1.774 117 c CB -0.841 41.208 42.510 -0.768 0.000 1.888 117 c HN 0.542 nan 8.230 nan 0.000 0.519 118 D N 0.060 120.387 120.400 -0.121 0.000 2.349 118 D HA 0.184 4.824 4.640 -0.000 0.000 0.224 118 D C 1.769 178.078 176.300 0.015 0.000 1.029 118 D CA 1.254 55.204 54.000 -0.084 0.000 0.879 118 D CB 0.088 40.873 40.800 -0.026 0.000 0.906 118 D HN 0.670 nan 8.370 nan 0.000 0.528 119 G N 0.228 109.098 108.800 0.117 0.000 2.813 119 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.194 119 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.194 119 G C 0.059 175.107 174.900 0.246 0.000 1.010 119 G CA -0.535 44.716 45.100 0.251 0.000 0.771 119 G HN 0.208 nan 8.290 nan 0.000 0.485 120 L N 3.426 124.778 121.223 0.215 0.000 2.415 120 L HA 0.640 4.980 4.340 -0.000 0.000 0.269 120 L C 0.700 177.654 176.870 0.140 0.000 1.244 120 L CA -0.120 54.825 54.840 0.175 0.000 1.113 120 L CB -1.424 40.728 42.059 0.155 0.000 1.352 120 L HN 0.496 nan 8.230 nan 0.000 0.433 121 R N 2.167 122.714 120.500 0.078 0.000 2.604 121 R HA 0.851 5.191 4.340 -0.000 0.000 0.261 121 R C -0.621 175.617 176.300 -0.103 0.000 1.080 121 R CA -0.842 55.270 56.100 0.019 0.000 0.917 121 R CB 1.039 31.525 30.300 0.309 0.000 1.252 121 R HN 0.384 nan 8.270 nan 0.000 0.456 122 G N 0.322 108.943 108.800 -0.298 0.000 2.495 122 G HA2 0.603 4.563 3.960 -0.000 0.000 0.294 122 G HA3 0.603 4.563 3.960 -0.000 0.000 0.294 122 G C -1.659 173.238 174.900 -0.005 0.000 1.397 122 G CA -0.452 44.540 45.100 -0.181 0.000 0.790 122 G HN 0.709 nan 8.290 nan 0.000 0.486 123 A N -0.748 122.174 122.820 0.169 0.000 2.340 123 A HA 0.769 5.089 4.320 -0.000 0.000 0.268 123 A C -1.378 176.485 177.584 0.465 0.000 1.100 123 A CA -0.288 51.915 52.037 0.276 0.000 0.803 123 A CB 0.775 19.864 19.000 0.149 0.000 1.043 123 A HN 1.332 nan 8.150 nan 0.000 0.488 124 F N 2.323 122.459 119.950 0.310 0.000 2.659 124 F HA 0.502 5.029 4.527 -0.000 0.000 0.342 124 F C -0.861 175.058 175.800 0.199 0.000 1.168 124 F CA -0.714 57.461 58.000 0.292 0.000 1.003 124 F CB 1.709 40.927 39.000 0.364 0.000 1.267 124 F HN 0.336 nan 8.300 nan 0.000 0.463 125 V N 5.894 126.008 119.914 0.333 0.000 2.513 125 V HA 0.594 4.713 4.120 -0.000 0.000 0.299 125 V C -0.781 175.389 176.094 0.127 0.000 1.035 125 V CA -0.862 61.508 62.300 0.115 0.000 0.889 125 V CB 2.027 33.703 31.823 -0.245 0.000 0.988 125 V HN 0.422 nan 8.190 nan 0.000 0.440 126 V N 5.226 125.236 119.914 0.160 0.000 2.350 126 V HA 0.427 4.547 4.120 -0.000 0.000 0.285 126 V C -0.765 175.365 176.094 0.060 0.000 1.014 126 V CA -0.737 61.705 62.300 0.236 0.000 0.831 126 V CB 1.035 33.103 31.823 0.408 0.000 1.000 126 V HN 0.719 nan 8.190 nan 0.000 0.433 127 Y N 2.083 122.513 120.300 0.218 0.000 2.300 127 Y HA 0.432 4.982 4.550 -0.000 0.000 0.328 127 Y C 0.547 176.528 175.900 0.135 0.000 1.270 127 Y CA -0.209 57.987 58.100 0.159 0.000 1.352 127 Y CB 0.964 39.498 38.460 0.123 0.000 1.286 127 Y HN 0.520 nan 8.280 nan 0.000 0.536 128 D N 2.443 123.020 120.400 0.296 0.000 2.454 128 D HA 0.294 4.934 4.640 -0.000 0.000 0.247 128 D C -2.124 174.268 176.300 0.153 0.000 1.129 128 D CA -2.552 51.560 54.000 0.186 0.000 0.877 128 D CB 1.582 42.471 40.800 0.148 0.000 1.082 128 D HN 0.148 nan 8.370 nan 0.000 0.537 129 P HA -0.077 nan 4.420 nan 0.000 0.218 129 P C 0.159 177.484 177.300 0.042 0.000 1.146 129 P CA 1.113 64.251 63.100 0.063 0.000 0.813 129 P CB 0.237 31.961 31.700 0.041 0.000 0.778 130 N N -1.499 117.228 118.700 0.044 0.000 2.234 130 N HA 0.015 4.755 4.740 -0.000 0.000 0.227 130 N C -0.023 175.500 175.510 0.021 0.000 1.151 130 N CA -0.284 52.780 53.050 0.024 0.000 0.865 130 N CB 0.269 38.768 38.487 0.019 0.000 1.066 130 N HN 0.112 nan 8.380 nan 0.000 0.515 131 D N 3.151 123.579 120.400 0.047 0.000 2.493 131 D HA -0.006 4.634 4.640 -0.000 0.000 0.240 131 D C -1.142 175.150 176.300 -0.013 0.000 1.142 131 D CA -1.134 52.897 54.000 0.051 0.000 0.872 131 D CB 1.440 42.329 40.800 0.147 0.000 1.173 131 D HN 0.148 nan 8.370 nan 0.000 0.467 132 P HA -0.090 nan 4.420 nan 0.000 0.233 132 P C 0.559 177.774 177.300 -0.141 0.000 1.167 132 P CA 0.749 63.751 63.100 -0.163 0.000 0.770 132 P CB 0.294 31.831 31.700 -0.272 0.000 0.837 133 H N -0.948 118.155 119.070 0.055 0.000 2.551 133 H HA 0.234 4.790 4.556 -0.000 0.000 0.271 133 H C 2.049 177.272 175.328 -0.175 0.000 0.984 133 H CA -0.265 55.819 56.048 0.060 0.000 1.164 133 H CB -0.419 29.485 29.762 0.237 0.000 1.437 133 H HN 0.089 nan 8.280 nan 0.000 0.550 134 L N 0.796 121.924 121.223 -0.160 0.000 2.010 134 L HA -0.294 4.046 4.340 -0.000 0.000 0.219 134 L C 2.443 178.974 176.870 -0.566 0.000 1.077 134 L CA 2.120 56.669 54.840 -0.485 0.000 0.773 134 L CB -0.507 41.429 42.059 -0.205 0.000 0.892 134 L HN 0.327 nan 8.230 nan 0.000 0.436 135 S N -0.615 114.931 115.700 -0.257 0.000 2.469 135 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 135 S C 1.615 176.115 174.600 -0.165 0.000 0.998 135 S CA 0.766 58.861 58.200 -0.176 0.000 0.957 135 S CB -0.503 62.651 63.200 -0.077 0.000 0.764 135 S HN 0.449 nan 8.310 nan 0.000 0.514 136 L N 0.637 121.752 121.223 -0.180 0.000 2.591 136 L HA 0.306 4.646 4.340 -0.000 0.000 0.228 136 L C -0.107 176.792 176.870 0.049 0.000 1.133 136 L CA -0.332 54.495 54.840 -0.023 0.000 0.880 136 L CB -0.395 41.720 42.059 0.092 0.000 1.033 136 L HN 0.566 nan 8.230 nan 0.000 0.450 137 Y N -5.228 115.061 120.300 -0.018 0.000 2.592 137 Y HA 0.360 4.910 4.550 -0.000 0.000 0.334 137 Y C -0.123 175.716 175.900 -0.102 0.000 1.136 137 Y CA -1.481 56.580 58.100 -0.066 0.000 1.042 137 Y CB 0.471 38.888 38.460 -0.071 0.000 1.325 137 Y HN -0.141 nan 8.280 nan 0.000 0.457 138 D N 1.132 121.530 120.400 -0.003 0.000 2.366 138 D HA 0.170 4.810 4.640 -0.000 0.000 0.205 138 D C -0.389 175.834 176.300 -0.128 0.000 1.022 138 D CA 0.833 54.773 54.000 -0.099 0.000 0.868 138 D CB 1.472 42.175 40.800 -0.162 0.000 0.953 138 D HN 0.256 nan 8.370 nan 0.000 0.514 139 V N 0.987 120.803 119.914 -0.164 0.000 2.733 139 V HA 0.331 4.451 4.120 -0.000 0.000 0.306 139 V C -1.458 174.544 176.094 -0.154 0.000 1.084 139 V CA -0.823 61.337 62.300 -0.234 0.000 0.905 139 V CB 2.800 34.284 31.823 -0.564 0.000 1.010 139 V HN -0.134 nan 8.190 nan 0.000 0.424 140 D N 2.886 123.247 120.400 -0.065 0.000 2.333 140 D HA 0.532 5.172 4.640 -0.000 0.000 0.225 140 D C -1.237 175.086 176.300 0.038 0.000 1.345 140 D CA -0.120 53.863 54.000 -0.028 0.000 0.971 140 D CB 1.235 42.045 40.800 0.017 0.000 1.451 140 D HN 0.768 nan 8.370 nan 0.000 0.561 141 D N 0.785 121.233 120.400 0.079 0.000 2.946 141 D HA 0.426 5.065 4.640 -0.000 0.000 0.337 141 D C 0.794 177.186 176.300 0.152 0.000 1.332 141 D CA -0.187 53.869 54.000 0.093 0.000 0.935 141 D CB 0.113 40.927 40.800 0.022 0.000 1.440 141 D HN 0.145 nan 8.370 nan 0.000 0.540 142 A N -0.244 122.654 122.820 0.131 0.000 2.024 142 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 142 A C 1.924 179.581 177.584 0.122 0.000 1.164 142 A CA 2.599 54.715 52.037 0.132 0.000 0.643 142 A CB -1.134 17.929 19.000 0.104 0.000 0.806 142 A HN 0.721 nan 8.150 nan 0.000 0.451 143 S N -0.662 115.109 115.700 0.119 0.000 2.489 143 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 143 S C 1.457 176.185 174.600 0.213 0.000 0.995 143 S CA 1.337 59.619 58.200 0.136 0.000 0.934 143 S CB -0.893 62.379 63.200 0.121 0.000 0.771 143 S HN 0.747 nan 8.310 nan 0.000 0.522 144 T N -0.302 114.378 114.554 0.210 0.000 3.206 144 T HA 0.428 4.778 4.350 -0.000 0.000 0.253 144 T C 0.110 174.989 174.700 0.299 0.000 1.042 144 T CA -0.443 61.845 62.100 0.314 0.000 0.931 144 T CB -0.233 68.659 68.868 0.040 0.000 1.029 144 T HN 0.130 nan 8.240 nan 0.000 0.564 145 V N 2.064 122.092 119.914 0.190 0.000 2.427 145 V HA 0.503 4.623 4.120 -0.000 0.000 0.286 145 V C -0.105 176.034 176.094 0.075 0.000 1.034 145 V CA -0.942 61.426 62.300 0.114 0.000 0.893 145 V CB 1.370 33.245 31.823 0.087 0.000 0.982 145 V HN 0.486 nan 8.190 nan 0.000 0.452 146 I N 4.681 125.256 120.570 0.008 0.000 2.420 146 I HA 0.320 4.490 4.170 -0.000 0.000 0.282 146 I C 0.237 176.277 176.117 -0.128 0.000 1.019 146 I CA -0.261 61.007 61.300 -0.053 0.000 1.130 146 I CB 2.020 39.969 38.000 -0.083 0.000 1.262 146 I HN 0.703 nan 8.210 nan 0.000 0.454 147 T N 4.739 119.231 114.554 -0.104 0.000 2.837 147 T HA 0.648 4.998 4.350 -0.000 0.000 0.285 147 T C -0.324 174.274 174.700 -0.171 0.000 0.984 147 T CA -0.673 61.337 62.100 -0.151 0.000 1.049 147 T CB 1.498 70.307 68.868 -0.099 0.000 0.947 147 T HN 0.162 nan 8.240 nan 0.000 0.472 148 I N 2.064 122.484 120.570 -0.251 0.000 2.441 148 I HA 0.759 4.929 4.170 -0.000 0.000 0.295 148 I C 0.179 176.164 176.117 -0.220 0.000 0.994 148 I CA -1.470 59.634 61.300 -0.327 0.000 1.144 148 I CB 0.758 38.411 38.000 -0.578 0.000 1.314 148 I HN 1.056 nan 8.210 nan 0.000 0.445 149 A N 4.663 127.417 122.820 -0.109 0.000 2.520 149 A HA 0.668 4.988 4.320 -0.000 0.000 0.298 149 A C -1.379 176.328 177.584 0.204 0.000 1.051 149 A CA -0.759 51.337 52.037 0.098 0.000 0.690 149 A CB 1.434 20.538 19.000 0.172 0.000 1.281 149 A HN 0.714 nan 8.150 nan 0.000 0.402 150 D N 1.465 122.046 120.400 0.302 0.000 2.280 150 D HA 0.277 4.917 4.640 -0.000 0.000 0.243 150 D C -0.426 176.005 176.300 0.218 0.000 1.129 150 D CA -0.211 53.923 54.000 0.224 0.000 0.848 150 D CB 0.944 41.853 40.800 0.182 0.000 1.107 150 D HN 0.581 nan 8.370 nan 0.000 0.471 151 W N 3.701 124.930 121.300 -0.119 0.000 2.551 151 W HA 0.410 5.070 4.660 -0.000 0.000 0.330 151 W C -1.787 174.595 176.519 -0.229 0.000 1.063 151 W CA -0.944 56.393 57.345 -0.013 0.000 1.222 151 W CB 1.284 30.778 29.460 0.056 0.000 1.349 151 W HN 0.299 nan 8.180 nan 0.000 0.536 152 Y N 3.561 123.497 120.300 -0.605 0.000 2.364 152 Y HA 0.203 4.753 4.550 -0.000 0.000 0.340 152 Y C 1.393 177.114 175.900 -0.298 0.000 0.975 152 Y CA -0.534 57.365 58.100 -0.335 0.000 1.089 152 Y CB 1.514 39.864 38.460 -0.183 0.000 1.192 152 Y HN 0.482 nan 8.280 nan 0.000 0.454 153 H N 0.228 119.299 119.070 0.002 0.000 2.428 153 H HA -0.031 4.525 4.556 -0.000 0.000 0.296 153 H C 0.747 176.107 175.328 0.053 0.000 1.062 153 H CA 0.684 56.785 56.048 0.087 0.000 1.350 153 H CB 0.626 30.455 29.762 0.112 0.000 1.403 153 H HN 0.443 nan 8.280 nan 0.000 0.533 154 S N 0.767 116.564 115.700 0.162 0.000 2.578 154 S HA 0.275 4.744 4.470 -0.000 0.000 0.283 154 S C -0.126 174.499 174.600 0.041 0.000 1.195 154 S CA -0.926 57.326 58.200 0.087 0.000 1.050 154 S CB 0.684 63.923 63.200 0.065 0.000 1.012 154 S HN 0.184 nan 8.310 nan 0.000 0.511 155 L N 4.387 125.626 121.223 0.026 0.000 2.490 155 L HA 0.123 4.463 4.340 -0.000 0.000 0.274 155 L C 2.053 178.930 176.870 0.012 0.000 1.201 155 L CA -0.207 54.639 54.840 0.010 0.000 0.869 155 L CB 0.215 42.286 42.059 0.020 0.000 1.123 155 L HN 1.024 nan 8.230 nan 0.000 0.484 156 S N 0.491 116.203 115.700 0.020 0.000 2.409 156 S HA -0.230 4.240 4.470 -0.000 0.000 0.237 156 S C 1.172 175.824 174.600 0.086 0.000 1.060 156 S CA 1.636 59.896 58.200 0.099 0.000 1.052 156 S CB -0.730 62.506 63.200 0.061 0.000 0.871 156 S HN 0.800 nan 8.310 nan 0.000 0.465 166 A N 2.107 124.810 122.820 -0.194 0.000 3.308 166 A HA 0.451 4.771 4.320 -0.000 0.000 0.275 166 A C -2.490 174.872 177.584 -0.370 0.000 0.950 166 A CA -1.034 50.843 52.037 -0.267 0.000 0.987 166 A CB -0.252 18.705 19.000 -0.072 0.000 1.146 166 A HN 0.233 nan 8.150 nan 0.000 0.488 167 P HA -0.004 nan 4.420 nan 0.000 0.264 167 P C -1.715 175.498 177.300 -0.144 0.000 1.173 167 P CA -0.412 62.433 63.100 -0.424 0.000 0.761 167 P CB 0.400 31.692 31.700 -0.680 0.000 0.794 168 P HA -0.171 nan 4.420 nan 0.000 0.218 168 P C 0.340 177.677 177.300 0.062 0.000 1.154 168 P CA 2.090 65.188 63.100 -0.003 0.000 0.872 168 P CB 0.046 31.729 31.700 -0.027 0.000 0.790 169 A N -3.422 119.428 122.820 0.050 0.000 2.517 169 A HA 0.495 4.815 4.320 -0.000 0.000 0.296 169 A C -3.126 174.414 177.584 -0.073 0.000 0.983 169 A CA -1.078 50.977 52.037 0.030 0.000 0.634 169 A CB -0.269 18.674 19.000 -0.095 0.000 1.341 169 A HN -0.209 nan 8.150 nan 0.000 0.438 170 P HA 0.213 nan 4.420 nan 0.000 0.271 170 P C -0.180 176.872 177.300 -0.414 0.000 1.238 170 P CA 0.130 62.860 63.100 -0.616 0.000 0.794 170 P CB 0.559 31.978 31.700 -0.468 0.000 0.959 171 D N -1.194 118.931 120.400 -0.458 0.000 2.394 171 D HA 0.054 4.693 4.640 -0.000 0.000 0.226 171 D C -0.098 176.071 176.300 -0.218 0.000 0.990 171 D CA 1.300 55.066 54.000 -0.389 0.000 0.902 171 D CB 0.489 40.823 40.800 -0.776 0.000 1.038 171 D HN 0.331 nan 8.370 nan 0.000 0.499 172 T N -0.048 114.459 114.554 -0.079 0.000 3.032 172 T HA 0.245 4.594 4.350 -0.000 0.000 0.312 172 T C -0.625 174.116 174.700 0.069 0.000 1.078 172 T CA -0.576 61.541 62.100 0.028 0.000 1.028 172 T CB 2.521 71.457 68.868 0.114 0.000 1.091 172 T HN -0.297 nan 8.240 nan 0.000 0.457 173 T N 4.074 118.656 114.554 0.046 0.000 2.729 173 T HA 0.469 4.819 4.350 -0.000 0.000 0.296 173 T C 0.055 174.753 174.700 -0.004 0.000 0.928 173 T CA -0.413 61.721 62.100 0.056 0.000 1.045 173 T CB -0.149 68.765 68.868 0.077 0.000 0.902 173 T HN 0.306 nan 8.240 nan 0.000 0.500 174 L N 4.771 125.988 121.223 -0.011 0.000 2.282 174 L HA 0.565 4.905 4.340 -0.000 0.000 0.288 174 L C -0.032 176.789 176.870 -0.082 0.000 1.033 174 L CA -0.957 53.853 54.840 -0.050 0.000 0.807 174 L CB 1.028 43.056 42.059 -0.051 0.000 1.209 174 L HN 0.407 nan 8.230 nan 0.000 0.423 175 I N 3.374 123.899 120.570 -0.075 0.000 2.354 175 I HA 0.243 4.412 4.170 -0.000 0.000 0.292 175 I C 0.005 176.091 176.117 -0.053 0.000 0.989 175 I CA -0.550 60.705 61.300 -0.075 0.000 1.188 175 I CB 1.407 39.375 38.000 -0.053 0.000 1.342 175 I HN 0.677 nan 8.210 nan 0.000 0.457 176 N N 4.871 123.541 118.700 -0.050 0.000 2.710 176 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 176 N C 1.132 176.621 175.510 -0.034 0.000 1.059 176 N CA 1.349 54.382 53.050 -0.029 0.000 0.720 176 N CB -1.070 37.407 38.487 -0.016 0.000 0.983 176 N HN 1.151 nan 8.380 nan 0.000 0.544 177 G N -2.194 106.578 108.800 -0.047 0.000 2.184 177 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.264 177 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.264 177 G C 0.029 174.858 174.900 -0.117 0.000 0.975 177 G CA 0.748 45.801 45.100 -0.078 0.000 0.642 177 G HN 0.464 nan 8.290 nan 0.000 0.536 178 L N -0.396 120.778 121.223 -0.082 0.000 2.319 178 L HA 0.853 5.193 4.340 -0.000 0.000 0.267 178 L C 0.713 177.546 176.870 -0.061 0.000 1.011 178 L CA -0.126 54.667 54.840 -0.078 0.000 0.818 178 L CB 2.218 44.249 42.059 -0.047 0.000 1.316 178 L HN 0.689 nan 8.230 nan 0.000 0.432 179 G N 0.984 109.753 108.800 -0.051 0.000 2.321 179 G HA2 0.248 4.208 3.960 -0.000 0.000 0.298 179 G HA3 0.248 4.208 3.960 -0.000 0.000 0.298 179 G C -1.914 172.975 174.900 -0.018 0.000 1.385 179 G CA -0.957 44.127 45.100 -0.027 0.000 0.856 179 G HN 0.414 nan 8.290 nan 0.000 0.584 180 R N -0.137 120.361 120.500 -0.003 0.000 2.758 180 R HA 0.714 5.054 4.340 -0.000 0.000 0.265 180 R C -0.453 175.855 176.300 0.013 0.000 1.016 180 R CA -0.976 55.129 56.100 0.008 0.000 1.040 180 R CB 1.809 32.115 30.300 0.010 0.000 1.152 180 R HN 0.520 nan 8.270 nan 0.000 0.503 181 N N -1.371 117.346 118.700 0.029 0.000 2.831 181 N HA 0.174 4.914 4.740 -0.000 0.000 0.276 181 N C -0.911 174.616 175.510 0.029 0.000 1.416 181 N CA -0.536 52.536 53.050 0.037 0.000 0.799 181 N CB 2.277 40.828 38.487 0.107 0.000 1.554 181 N HN 0.325 nan 8.380 nan 0.000 0.541 182 S N -0.154 115.560 115.700 0.022 0.000 2.573 182 S HA 0.355 4.824 4.470 -0.000 0.000 0.244 182 S C 1.055 175.676 174.600 0.034 0.000 0.984 182 S CA 0.210 58.419 58.200 0.015 0.000 1.001 182 S CB -0.510 62.685 63.200 -0.008 0.000 0.788 182 S HN 0.590 nan 8.310 nan 0.000 0.456 183 A N 2.376 125.235 122.820 0.066 0.000 1.902 183 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 183 A C 0.727 178.333 177.584 0.036 0.000 1.181 183 A CA 1.099 53.173 52.037 0.062 0.000 0.623 183 A CB -0.144 18.904 19.000 0.080 0.000 0.818 183 A HN 0.713 nan 8.150 nan 0.000 0.443 184 N N -3.461 115.259 118.700 0.033 0.000 3.392 184 N HA 0.114 4.854 4.740 -0.000 0.000 0.223 184 N C -3.135 172.390 175.510 0.024 0.000 1.137 184 N CA -0.955 52.109 53.050 0.023 0.000 0.991 184 N CB 0.093 38.592 38.487 0.019 0.000 1.602 184 N HN -0.206 nan 8.380 nan 0.000 0.702 185 P HA -0.199 nan 4.420 nan 0.000 0.217 185 P C 1.454 178.769 177.300 0.026 0.000 1.148 185 P CA 2.014 65.127 63.100 0.021 0.000 0.834 185 P CB 0.158 31.868 31.700 0.016 0.000 0.783 186 S N -1.145 114.570 115.700 0.025 0.000 2.547 186 S HA 0.015 4.485 4.470 -0.000 0.000 0.235 186 S C 1.849 176.460 174.600 0.019 0.000 0.980 186 S CA 0.765 58.980 58.200 0.025 0.000 0.941 186 S CB -1.023 62.190 63.200 0.022 0.000 0.763 186 S HN 0.126 nan 8.310 nan 0.000 0.532 187 A N 1.005 123.835 122.820 0.016 0.000 2.119 187 A HA 0.482 4.802 4.320 -0.000 0.000 0.216 187 A C 1.274 178.860 177.584 0.003 0.000 1.152 187 A CA 0.528 52.570 52.037 0.009 0.000 0.708 187 A CB -0.800 18.206 19.000 0.009 0.000 0.805 187 A HN 0.651 nan 8.150 nan 0.000 0.460 188 G N -0.692 108.112 108.800 0.008 0.000 2.356 188 G HA2 0.467 4.427 3.960 -0.000 0.000 0.322 188 G HA3 0.467 4.427 3.960 -0.000 0.000 0.322 188 G C -0.354 174.548 174.900 0.004 0.000 1.125 188 G CA -0.386 44.713 45.100 -0.000 0.000 0.885 188 G HN 0.291 nan 8.290 nan 0.000 0.467 189 Q N 0.927 120.722 119.800 -0.009 0.000 2.306 189 Q HA 0.356 4.696 4.340 -0.000 0.000 0.241 189 Q C -0.602 175.405 176.000 0.011 0.000 0.948 189 Q CA -0.303 55.500 55.803 -0.001 0.000 0.886 189 Q CB 0.996 29.727 28.738 -0.013 0.000 1.227 189 Q HN 0.422 nan 8.270 nan 0.000 0.457 190 L N 1.842 123.083 121.223 0.031 0.000 2.322 190 L HA 0.504 4.844 4.340 -0.000 0.000 0.279 190 L C -0.109 176.775 176.870 0.024 0.000 1.036 190 L CA -0.749 54.122 54.840 0.051 0.000 0.807 190 L CB 1.603 43.732 42.059 0.116 0.000 1.226 190 L HN 0.679 nan 8.230 nan 0.000 0.433 191 A N 3.175 126.005 122.820 0.017 0.000 2.440 191 A HA 0.535 4.855 4.320 -0.000 0.000 0.251 191 A C -0.351 177.235 177.584 0.004 0.000 1.089 191 A CA -0.278 51.760 52.037 0.001 0.000 0.779 191 A CB 0.334 19.329 19.000 -0.009 0.000 1.022 191 A HN 0.432 nan 8.150 nan 0.000 0.492 192 V N 3.683 123.589 119.914 -0.014 0.000 2.378 192 V HA 0.342 4.462 4.120 -0.000 0.000 0.288 192 V C -0.212 175.853 176.094 -0.048 0.000 1.016 192 V CA -0.581 61.699 62.300 -0.033 0.000 0.840 192 V CB 1.307 33.105 31.823 -0.042 0.000 0.994 192 V HN 0.595 nan 8.190 nan 0.000 0.431 193 V N 3.939 123.809 119.914 -0.074 0.000 2.370 193 V HA 0.390 4.510 4.120 -0.000 0.000 0.279 193 V C 0.410 176.368 176.094 -0.227 0.000 1.029 193 V CA -0.007 62.233 62.300 -0.100 0.000 0.870 193 V CB 1.742 33.499 31.823 -0.111 0.000 0.984 193 V HN 0.907 nan 8.190 nan 0.000 0.451 194 S N 3.930 119.524 115.700 -0.177 0.000 2.480 194 S HA 0.730 5.199 4.470 -0.000 0.000 0.286 194 S C -0.173 174.213 174.600 -0.356 0.000 1.180 194 S CA -0.501 57.547 58.200 -0.253 0.000 1.075 194 S CB 1.627 64.754 63.200 -0.122 0.000 0.996 194 S HN 0.802 nan 8.310 nan 0.000 0.487 195 V N 1.837 121.407 119.914 -0.574 0.000 3.158 195 V HA 0.711 4.831 4.120 -0.000 0.000 0.311 195 V C -1.438 174.429 176.094 -0.377 0.000 1.181 195 V CA -0.923 60.994 62.300 -0.640 0.000 1.054 195 V CB 1.906 33.021 31.823 -1.181 0.000 1.085 195 V HN 0.778 nan 8.190 nan 0.000 0.446 196 Q N 0.615 120.336 119.800 -0.132 0.000 2.375 196 Q HA 0.510 4.850 4.340 -0.000 0.000 0.271 196 Q C -0.791 175.232 176.000 0.038 0.000 1.074 196 Q CA -0.704 55.085 55.803 -0.022 0.000 0.808 196 Q CB 2.281 31.062 28.738 0.072 0.000 1.327 196 Q HN 0.852 nan 8.270 nan 0.000 0.441 197 S N 0.469 116.243 115.700 0.123 0.000 2.546 197 S HA 0.230 4.699 4.470 -0.000 0.000 0.290 197 S C 1.144 175.845 174.600 0.167 0.000 1.290 197 S CA 1.102 59.444 58.200 0.237 0.000 1.069 197 S CB 0.295 63.655 63.200 0.267 0.000 0.846 197 S HN 0.983 nan 8.310 nan 0.000 0.495 198 G N 2.880 111.790 108.800 0.184 0.000 2.225 198 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 198 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 198 G C -0.029 174.938 174.900 0.112 0.000 0.988 198 G CA 0.210 45.388 45.100 0.130 0.000 0.625 198 G HN 0.597 nan 8.290 nan 0.000 0.527 199 K N 0.339 120.825 120.400 0.144 0.000 2.144 199 K HA 0.643 4.963 4.320 -0.000 0.000 0.270 199 K C 0.383 177.066 176.600 0.139 0.000 1.005 199 K CA -0.498 55.825 56.287 0.061 0.000 0.932 199 K CB 0.707 33.185 32.500 -0.035 0.000 1.021 199 K HN 0.235 nan 8.250 nan 0.000 0.462 200 R N 1.728 122.204 120.500 -0.039 0.000 2.514 200 R HA 0.354 4.694 4.340 -0.000 0.000 0.301 200 R C -1.273 174.952 176.300 -0.126 0.000 0.962 200 R CA -0.572 55.569 56.100 0.068 0.000 0.882 200 R CB 0.865 31.212 30.300 0.077 0.000 1.143 200 R HN 0.434 nan 8.270 nan 0.000 0.452 201 Y N 0.707 120.928 120.300 -0.132 0.000 2.361 201 Y HA 0.353 4.902 4.550 -0.000 0.000 0.337 201 Y C 0.164 175.744 175.900 -0.534 0.000 0.965 201 Y CA -1.024 56.823 58.100 -0.422 0.000 1.091 201 Y CB 1.708 39.666 38.460 -0.837 0.000 1.182 201 Y HN 0.323 nan 8.280 nan 0.000 0.450 202 R N 4.386 124.610 120.500 -0.459 0.000 2.429 202 R HA 0.292 4.632 4.340 -0.000 0.000 0.302 202 R C -1.374 174.712 176.300 -0.356 0.000 1.268 202 R CA -0.125 55.661 56.100 -0.523 0.000 1.090 202 R CB -0.374 29.353 30.300 -0.955 0.000 1.102 202 R HN 0.587 nan 8.270 nan 0.000 0.522 203 F N 3.283 123.212 119.950 -0.035 0.000 2.438 203 F HA 0.263 4.789 4.527 -0.000 0.000 0.356 203 F C 0.781 176.531 175.800 -0.085 0.000 1.099 203 F CA -0.407 57.579 58.000 -0.024 0.000 1.185 203 F CB 0.996 40.002 39.000 0.011 0.000 1.115 203 F HN 0.238 nan 8.300 nan 0.000 0.526 204 R N 4.741 125.299 120.500 0.096 0.000 2.229 204 R HA 0.482 4.822 4.340 -0.000 0.000 0.332 204 R C -0.949 175.308 176.300 -0.071 0.000 0.989 204 R CA -0.400 55.686 56.100 -0.023 0.000 0.842 204 R CB 1.030 31.298 30.300 -0.053 0.000 1.119 204 R HN 0.586 nan 8.270 nan 0.000 0.456 205 I N 3.814 124.288 120.570 -0.160 0.000 2.312 205 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 205 I C -0.449 175.480 176.117 -0.314 0.000 1.008 205 I CA -0.916 60.203 61.300 -0.303 0.000 1.226 205 I CB 1.524 39.231 38.000 -0.489 0.000 1.371 205 I HN 0.238 nan 8.210 nan 0.000 0.468 206 V N 4.872 124.583 119.914 -0.338 0.000 2.407 206 V HA 0.211 4.331 4.120 -0.000 0.000 0.291 206 V C 0.194 175.978 176.094 -0.516 0.000 1.018 206 V CA -0.590 61.449 62.300 -0.435 0.000 0.842 206 V CB 1.621 33.225 31.823 -0.366 0.000 0.996 206 V HN 0.779 nan 8.190 nan 0.000 0.426 207 S N 3.208 118.550 115.700 -0.595 0.000 2.422 207 S HA 0.205 4.675 4.470 -0.000 0.000 0.283 207 S C 1.092 175.133 174.600 -0.933 0.000 1.163 207 S CA 0.103 57.979 58.200 -0.540 0.000 1.054 207 S CB 0.498 63.504 63.200 -0.323 0.000 0.967 207 S HN 1.012 nan 8.310 nan 0.000 0.499 208 T N 1.641 115.768 114.554 -0.712 0.000 3.244 208 T HA 0.241 4.591 4.350 -0.000 0.000 0.254 208 T C 0.609 175.239 174.700 -0.116 0.000 1.024 208 T CA -0.441 61.155 62.100 -0.841 0.000 0.920 208 T CB -0.040 68.656 68.868 -0.286 0.000 1.042 208 T HN 0.453 nan 8.240 nan 0.000 0.572 209 S N -0.643 115.023 115.700 -0.057 0.000 2.576 209 S HA 0.205 4.675 4.470 -0.000 0.000 0.276 209 S C 1.102 175.908 174.600 0.343 0.000 1.339 209 S CA -0.733 57.597 58.200 0.218 0.000 1.039 209 S CB 0.417 63.761 63.200 0.239 0.000 0.902 209 S HN 0.528 nan 8.310 nan 0.000 0.516 210 c N 4.499 123.270 118.600 0.285 0.000 2.791 210 c HA 0.456 5.025 4.570 -0.000 0.000 0.270 210 c C 0.867 175.099 174.090 0.237 0.000 1.257 210 c CA -0.305 56.041 56.329 0.029 0.000 1.699 210 c CB -1.992 40.302 42.510 -0.360 0.000 1.904 210 c HN 0.920 nan 8.230 nan 0.000 0.603 211 F N 0.302 120.354 119.950 0.169 0.000 1.841 211 F HA 0.215 4.742 4.527 -0.000 0.000 0.236 211 F C -1.935 173.899 175.800 0.057 0.000 1.272 211 F CA -0.454 57.640 58.000 0.156 0.000 1.228 211 F CB -0.659 38.537 39.000 0.328 0.000 2.061 211 F HN -0.261 nan 8.300 nan 0.000 0.112 212 P HA 0.106 nan 4.420 nan 0.000 0.272 212 P C -1.478 175.559 177.300 -0.439 0.000 1.223 212 P CA 0.045 62.848 63.100 -0.495 0.000 0.784 212 P CB 0.567 31.807 31.700 -0.766 0.000 0.923 213 N N 1.458 119.942 118.700 -0.360 0.000 2.524 213 N HA 0.141 4.881 4.740 -0.000 0.000 0.283 213 N C -1.102 174.042 175.510 -0.609 0.000 1.142 213 N CA -0.337 52.466 53.050 -0.412 0.000 0.984 213 N CB 0.555 38.720 38.487 -0.536 0.000 1.155 213 N HN 0.341 nan 8.380 nan 0.000 0.467 214 Y N -0.565 119.612 120.300 -0.204 0.000 2.364 214 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 214 Y C 0.093 175.920 175.900 -0.121 0.000 0.975 214 Y CA -1.218 56.806 58.100 -0.127 0.000 1.089 214 Y CB 1.810 40.239 38.460 -0.050 0.000 1.192 214 Y HN 0.705 nan 8.280 nan 0.000 0.454 215 A N 4.433 127.298 122.820 0.076 0.000 2.415 215 A HA 0.409 4.729 4.320 -0.000 0.000 0.309 215 A C -1.177 176.473 177.584 0.109 0.000 1.356 215 A CA -0.248 51.817 52.037 0.046 0.000 0.998 215 A CB -0.724 18.283 19.000 0.012 0.000 1.145 215 A HN 0.647 nan 8.150 nan 0.000 0.545 216 F N 3.578 123.489 119.950 -0.065 0.000 2.404 216 F HA 0.608 5.135 4.527 -0.000 0.000 0.339 216 F C 0.550 176.278 175.800 -0.120 0.000 1.105 216 F CA 0.495 58.437 58.000 -0.097 0.000 1.087 216 F CB 1.467 40.389 39.000 -0.129 0.000 1.143 216 F HN 0.655 nan 8.300 nan 0.000 0.491 217 S N 5.283 120.562 115.700 -0.702 0.000 2.578 217 S HA 0.629 5.099 4.470 -0.000 0.000 0.272 217 S C -1.460 172.730 174.600 -0.683 0.000 1.145 217 S CA -1.016 56.886 58.200 -0.496 0.000 0.835 217 S CB 1.045 64.091 63.200 -0.257 0.000 1.104 217 S HN 0.547 nan 8.310 nan 0.000 0.458 218 I N 1.865 122.160 120.570 -0.458 0.000 2.420 218 I HA 0.319 4.489 4.170 -0.000 0.000 0.282 218 I C -0.997 174.998 176.117 -0.203 0.000 1.019 218 I CA -0.592 60.452 61.300 -0.427 0.000 1.130 218 I CB 1.331 38.967 38.000 -0.607 0.000 1.262 218 I HN 0.601 nan 8.210 nan 0.000 0.454 219 D N 4.829 125.176 120.400 -0.088 0.000 2.571 219 D HA 0.159 4.799 4.640 -0.000 0.000 0.231 219 D C 1.330 177.688 176.300 0.097 0.000 1.133 219 D CA 1.646 55.674 54.000 0.047 0.000 0.862 219 D CB 0.687 41.588 40.800 0.168 0.000 1.179 219 D HN 0.885 nan 8.370 nan 0.000 0.474 220 G N 1.562 110.354 108.800 -0.014 0.000 2.175 220 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.265 220 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.265 220 G C 0.011 174.606 174.900 -0.509 0.000 0.979 220 G CA 0.697 45.667 45.100 -0.216 0.000 0.663 220 G HN 0.694 nan 8.290 nan 0.000 0.533 221 H N -1.073 117.855 119.070 -0.237 0.000 2.768 221 H HA 0.706 5.261 4.556 -0.000 0.000 0.371 221 H C 0.354 175.588 175.328 -0.156 0.000 1.151 221 H CA -0.871 55.044 56.048 -0.222 0.000 1.165 221 H CB 1.042 30.590 29.762 -0.357 0.000 1.722 221 H HN 0.219 nan 8.280 nan 0.000 0.543 222 R N 1.648 122.156 120.500 0.013 0.000 2.500 222 R HA 0.508 4.848 4.340 -0.000 0.000 0.277 222 R C -0.602 175.710 176.300 0.020 0.000 1.026 222 R CA -0.642 55.458 56.100 0.001 0.000 1.058 222 R CB 1.149 31.449 30.300 0.001 0.000 1.078 222 R HN 0.529 nan 8.270 nan 0.000 0.509 223 M N 1.500 121.104 119.600 0.008 0.000 2.243 223 M HA 0.264 4.744 4.480 -0.000 0.000 0.324 223 M C -0.752 175.554 176.300 0.010 0.000 1.031 223 M CA -0.500 54.813 55.300 0.022 0.000 0.949 223 M CB 2.327 34.938 32.600 0.019 0.000 1.615 223 M HN 0.417 nan 8.290 nan 0.000 0.430 224 T N 2.949 117.516 114.554 0.021 0.000 2.770 224 T HA 0.403 4.753 4.350 -0.000 0.000 0.297 224 T C 0.081 174.775 174.700 -0.010 0.000 0.997 224 T CA -0.575 61.529 62.100 0.005 0.000 0.949 224 T CB 0.815 69.691 68.868 0.015 0.000 0.941 224 T HN 0.390 nan 8.240 nan 0.000 0.457 225 V N 5.745 125.648 119.914 -0.019 0.000 2.508 225 V HA 0.231 4.351 4.120 -0.000 0.000 0.281 225 V C 1.359 177.442 176.094 -0.018 0.000 1.041 225 V CA 0.007 62.301 62.300 -0.010 0.000 1.016 225 V CB 0.192 32.010 31.823 -0.009 0.000 0.984 225 V HN 0.948 nan 8.190 nan 0.000 0.478 226 I N 0.232 120.781 120.570 -0.034 0.000 4.439 226 I HA 0.569 4.738 4.170 -0.000 0.000 0.331 226 I C 0.403 176.583 176.117 0.105 0.000 1.345 226 I CA 0.172 61.401 61.300 -0.118 0.000 1.193 226 I CB 0.772 38.501 38.000 -0.451 0.000 1.221 226 I HN 0.638 nan 8.210 nan 0.000 0.429 227 E N 1.633 121.894 120.200 0.102 0.000 2.381 227 E HA 0.492 4.842 4.350 -0.000 0.000 0.286 227 E C -1.956 174.635 176.600 -0.014 0.000 0.960 227 E CA -0.445 56.017 56.400 0.102 0.000 0.793 227 E CB 3.451 33.186 29.700 0.058 0.000 1.225 227 E HN 0.028 nan 8.360 nan 0.000 0.420 228 V N 3.273 123.130 119.914 -0.094 0.000 2.532 228 V HA 0.232 4.352 4.120 -0.000 0.000 0.294 228 V C -0.793 175.121 176.094 -0.299 0.000 1.036 228 V CA -0.839 61.267 62.300 -0.323 0.000 0.876 228 V CB 1.514 33.084 31.823 -0.422 0.000 1.012 228 V HN 0.867 nan 8.190 nan 0.000 0.432 229 D N 4.144 124.285 120.400 -0.432 0.000 2.686 229 D HA -0.158 4.482 4.640 -0.000 0.000 0.235 229 D C 1.343 177.434 176.300 -0.348 0.000 1.160 229 D CA 2.225 56.004 54.000 -0.368 0.000 0.645 229 D CB -1.116 39.525 40.800 -0.264 0.000 1.039 229 D HN 1.505 nan 8.370 nan 0.000 0.423 230 G N -2.855 105.662 108.800 -0.472 0.000 2.258 230 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.233 230 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.233 230 G C 0.300 175.147 174.900 -0.088 0.000 1.006 230 G CA 0.060 44.886 45.100 -0.457 0.000 0.620 230 G HN 0.737 nan 8.290 nan 0.000 0.511 231 V N 2.100 122.003 119.914 -0.018 0.000 2.398 231 V HA 0.639 4.758 4.120 -0.000 0.000 0.286 231 V C 0.657 176.886 176.094 0.226 0.000 1.026 231 V CA -0.299 62.067 62.300 0.109 0.000 0.868 231 V CB 1.650 33.557 31.823 0.140 0.000 0.982 231 V HN 0.370 nan 8.190 nan 0.000 0.443 232 S N 4.815 120.623 115.700 0.180 0.000 2.533 232 S HA 0.279 4.749 4.470 -0.000 0.000 0.282 232 S C -0.154 174.596 174.600 0.250 0.000 1.304 232 S CA -0.111 58.243 58.200 0.257 0.000 1.063 232 S CB -0.140 63.163 63.200 0.173 0.000 0.881 232 S HN 0.732 nan 8.310 nan 0.000 0.493 233 H N 1.128 120.322 119.070 0.207 0.000 2.797 233 H HA 0.266 4.822 4.556 -0.000 0.000 0.362 233 H C -0.214 175.236 175.328 0.203 0.000 1.183 233 H CA -0.962 55.184 56.048 0.165 0.000 1.197 233 H CB 1.109 30.940 29.762 0.115 0.000 1.835 233 H HN 0.582 nan 8.280 nan 0.000 0.567 234 Q N 1.674 121.628 119.800 0.256 0.000 2.330 234 Q HA 0.123 4.463 4.340 -0.000 0.000 0.279 234 Q C -2.319 173.767 176.000 0.143 0.000 1.024 234 Q CA -1.661 54.259 55.803 0.194 0.000 0.900 234 Q CB -0.115 28.706 28.738 0.137 0.000 1.221 234 Q HN 0.188 nan 8.270 nan 0.000 0.396 235 P HA -0.007 nan 4.420 nan 0.000 0.262 235 P C -1.150 176.172 177.300 0.037 0.000 1.199 235 P CA 0.246 63.354 63.100 0.014 0.000 0.763 235 P CB 0.276 31.978 31.700 0.003 0.000 0.790 236 L N 4.199 125.438 121.223 0.027 0.000 2.372 236 L HA 0.414 4.754 4.340 -0.000 0.000 0.274 236 L C -0.395 176.477 176.870 0.004 0.000 0.988 236 L CA 0.032 54.887 54.840 0.025 0.000 0.833 236 L CB 1.768 43.847 42.059 0.033 0.000 1.236 236 L HN 0.166 nan 8.230 nan 0.000 0.410 237 T N 4.640 119.197 114.554 0.005 0.000 2.767 237 T HA 0.668 5.018 4.350 -0.000 0.000 0.288 237 T C -0.394 174.299 174.700 -0.010 0.000 0.963 237 T CA -0.257 61.843 62.100 -0.001 0.000 1.019 237 T CB 1.087 69.960 68.868 0.008 0.000 0.923 237 T HN 0.505 nan 8.240 nan 0.000 0.468 238 V N 0.905 120.806 119.914 -0.021 0.000 3.167 238 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 238 V C -0.509 175.567 176.094 -0.031 0.000 1.207 238 V CA -0.943 61.339 62.300 -0.031 0.000 1.059 238 V CB 2.243 34.035 31.823 -0.053 0.000 1.079 238 V HN 0.639 nan 8.190 nan 0.000 0.446 239 D N 0.747 121.126 120.400 -0.036 0.000 2.423 239 D HA 0.278 4.918 4.640 -0.000 0.000 0.212 239 D C 0.883 177.151 176.300 -0.053 0.000 1.060 239 D CA 1.012 54.986 54.000 -0.043 0.000 0.872 239 D CB 0.354 41.130 40.800 -0.041 0.000 1.012 239 D HN 0.975 nan 8.370 nan 0.000 0.503 240 S N -0.741 114.930 115.700 -0.049 0.000 2.638 240 S HA 0.756 5.226 4.470 -0.000 0.000 0.274 240 S C -1.329 173.235 174.600 -0.060 0.000 1.157 240 S CA -0.951 57.220 58.200 -0.048 0.000 0.826 240 S CB 1.848 65.021 63.200 -0.045 0.000 1.139 240 S HN 0.073 nan 8.310 nan 0.000 0.474 241 L N 0.715 121.906 121.223 -0.055 0.000 2.592 241 L HA 0.466 4.805 4.340 -0.000 0.000 0.258 241 L C -1.306 175.508 176.870 -0.093 0.000 0.926 241 L CA -0.394 54.376 54.840 -0.116 0.000 0.885 241 L CB 2.747 44.705 42.059 -0.168 0.000 1.380 241 L HN 0.931 nan 8.230 nan 0.000 0.415 242 T N 4.013 118.479 114.554 -0.147 0.000 2.743 242 T HA 0.499 4.849 4.350 -0.000 0.000 0.292 242 T C -0.392 174.133 174.700 -0.292 0.000 0.972 242 T CA -0.088 61.873 62.100 -0.232 0.000 0.967 242 T CB 1.156 69.840 68.868 -0.308 0.000 0.926 242 T HN 0.338 nan 8.240 nan 0.000 0.459 243 I N 3.727 124.162 120.570 -0.226 0.000 2.377 243 I HA 0.572 4.742 4.170 -0.000 0.000 0.293 243 I C -1.015 174.975 176.117 -0.213 0.000 0.987 243 I CA -0.955 60.295 61.300 -0.084 0.000 1.185 243 I CB 0.643 38.652 38.000 0.014 0.000 1.341 243 I HN 0.474 nan 8.210 nan 0.000 0.455 244 F N 5.398 125.389 119.950 0.068 0.000 2.411 244 F HA 0.584 5.111 4.527 -0.000 0.000 0.324 244 F C 0.955 176.731 175.800 -0.040 0.000 1.086 244 F CA -0.624 57.395 58.000 0.031 0.000 1.028 244 F CB 0.954 39.994 39.000 0.067 0.000 1.284 244 F HN 0.474 nan 8.300 nan 0.000 0.501 245 A N 1.151 124.099 122.820 0.212 0.000 2.553 245 A HA 0.362 4.682 4.320 -0.000 0.000 0.258 245 A C 1.138 178.594 177.584 -0.212 0.000 1.069 245 A CA 0.874 52.937 52.037 0.044 0.000 0.767 245 A CB -1.375 17.746 19.000 0.201 0.000 0.997 245 A HN 1.514 nan 8.150 nan 0.000 0.512 246 G N 1.636 110.140 108.800 -0.493 0.000 2.195 246 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.246 246 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.246 246 G C 0.265 174.815 174.900 -0.583 0.000 0.984 246 G CA 0.446 45.133 45.100 -0.688 0.000 0.633 246 G HN 0.898 nan 8.290 nan 0.000 0.525 247 Q N -0.433 119.126 119.800 -0.402 0.000 2.317 247 Q HA 0.727 5.067 4.340 -0.000 0.000 0.229 247 Q C 0.115 175.824 176.000 -0.486 0.000 0.984 247 Q CA -0.052 55.541 55.803 -0.351 0.000 0.911 247 Q CB 0.653 29.298 28.738 -0.156 0.000 1.217 247 Q HN 0.375 nan 8.270 nan 0.000 0.501 248 R N 0.668 120.834 120.500 -0.556 0.000 2.515 248 R HA 0.383 4.723 4.340 -0.000 0.000 0.278 248 R C -1.822 174.082 176.300 -0.660 0.000 1.107 248 R CA -0.399 55.394 56.100 -0.511 0.000 0.945 248 R CB 1.181 31.203 30.300 -0.464 0.000 1.219 248 R HN 0.468 nan 8.270 nan 0.000 0.434 249 Y N 0.085 120.235 120.300 -0.251 0.000 2.409 249 Y HA 0.527 5.077 4.550 -0.000 0.000 0.343 249 Y C 0.191 175.981 175.900 -0.184 0.000 0.973 249 Y CA -0.637 57.340 58.100 -0.206 0.000 1.064 249 Y CB 2.659 40.998 38.460 -0.203 0.000 1.207 249 Y HN 0.436 nan 8.280 nan 0.000 0.452 250 S N 2.449 118.153 115.700 0.006 0.000 2.508 250 S HA 0.713 5.183 4.470 -0.000 0.000 0.284 250 S C -0.885 173.721 174.600 0.011 0.000 1.192 250 S CA -0.715 57.476 58.200 -0.015 0.000 1.070 250 S CB 0.684 63.854 63.200 -0.051 0.000 1.004 250 S HN 0.492 nan 8.310 nan 0.000 0.493 251 V N 1.629 121.550 119.914 0.011 0.000 2.638 251 V HA 0.700 4.820 4.120 -0.000 0.000 0.306 251 V C -0.535 175.582 176.094 0.038 0.000 1.052 251 V CA -0.864 61.452 62.300 0.026 0.000 0.885 251 V CB 1.407 33.259 31.823 0.047 0.000 0.999 251 V HN 0.470 nan 8.190 nan 0.000 0.424 252 V N 5.141 125.071 119.914 0.027 0.000 2.461 252 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 252 V C 0.117 176.275 176.094 0.107 0.000 1.047 252 V CA -0.152 62.177 62.300 0.048 0.000 0.955 252 V CB 1.534 33.405 31.823 0.080 0.000 0.988 252 V HN 0.793 nan 8.190 nan 0.000 0.471 253 V N 4.990 125.001 119.914 0.162 0.000 2.357 253 V HA 0.363 4.483 4.120 -0.000 0.000 0.284 253 V C 0.102 176.352 176.094 0.260 0.000 1.018 253 V CA -0.705 61.727 62.300 0.219 0.000 0.841 253 V CB 1.439 33.466 31.823 0.341 0.000 0.991 253 V HN 0.938 nan 8.190 nan 0.000 0.437 254 E N 3.592 123.929 120.200 0.228 0.000 2.289 254 E HA 0.547 4.897 4.350 -0.000 0.000 0.278 254 E C 0.232 177.026 176.600 0.323 0.000 1.032 254 E CA -0.597 55.953 56.400 0.251 0.000 0.854 254 E CB 1.300 31.104 29.700 0.174 0.000 1.046 254 E HN 0.853 nan 8.360 nan 0.000 0.409 255 A N 5.122 128.143 122.820 0.336 0.000 2.915 255 A HA 0.069 4.388 4.320 -0.000 0.000 0.292 255 A C 0.115 177.964 177.584 0.441 0.000 1.632 255 A CA -0.497 51.762 52.037 0.371 0.000 1.337 255 A CB -0.511 18.500 19.000 0.019 0.000 1.111 255 A HN 0.681 nan 8.150 nan 0.000 0.569 256 N N 0.798 119.733 118.700 0.391 0.000 2.200 256 N HA 0.047 4.787 4.740 -0.000 0.000 0.224 256 N C -0.039 175.543 175.510 0.119 0.000 1.179 256 N CA -0.158 53.026 53.050 0.224 0.000 0.877 256 N CB 0.294 38.859 38.487 0.130 0.000 1.072 256 N HN 0.437 nan 8.380 nan 0.000 0.519 257 Q N 0.828 120.690 119.800 0.103 0.000 2.298 257 Q HA 0.609 4.949 4.340 -0.000 0.000 0.181 257 Q C -0.235 175.692 176.000 -0.122 0.000 1.004 257 Q CA -0.737 54.995 55.803 -0.118 0.000 1.050 257 Q CB 0.290 28.777 28.738 -0.419 0.000 1.254 257 Q HN 0.278 nan 8.270 nan 0.000 0.531 258 A N 0.368 123.142 122.820 -0.075 0.000 2.440 258 A HA 0.336 4.655 4.320 -0.000 0.000 0.251 258 A C -0.047 177.360 177.584 -0.295 0.000 1.089 258 A CA -0.450 51.522 52.037 -0.109 0.000 0.779 258 A CB 0.016 18.982 19.000 -0.057 0.000 1.022 258 A HN 0.387 nan 8.150 nan 0.000 0.492 259 V N 2.331 122.070 119.914 -0.291 0.000 2.790 259 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 259 V C 1.200 177.146 176.094 -0.247 0.000 1.142 259 V CA 1.540 63.654 62.300 -0.310 0.000 1.282 259 V CB -0.429 31.388 31.823 -0.011 0.000 0.877 259 V HN 1.659 nan 8.190 nan 0.000 0.504 260 G N 4.227 112.936 108.800 -0.152 0.000 2.344 260 G HA2 0.179 4.139 3.960 -0.000 0.000 0.282 260 G HA3 0.179 4.139 3.960 -0.000 0.000 0.282 260 G C -1.403 173.440 174.900 -0.095 0.000 1.281 260 G CA -0.825 44.174 45.100 -0.169 0.000 0.877 260 G HN 0.640 nan 8.290 nan 0.000 0.494 261 N N -0.799 117.699 118.700 -0.337 0.000 2.370 261 N HA 0.749 5.489 4.740 -0.000 0.000 0.303 261 N C -1.670 173.532 175.510 -0.514 0.000 1.103 261 N CA -0.379 52.505 53.050 -0.277 0.000 0.848 261 N CB 1.832 40.136 38.487 -0.306 0.000 1.235 261 N HN 0.482 nan 8.380 nan 0.000 0.496 262 Y N -0.502 119.782 120.300 -0.027 0.000 2.513 262 Y HA 0.297 4.847 4.550 0.000 0.000 0.340 262 Y C -0.994 174.888 175.900 -0.030 0.000 1.055 262 Y CA -0.884 57.217 58.100 0.003 0.000 1.020 262 Y CB 1.134 39.739 38.460 0.241 0.000 1.301 262 Y HN 0.466 nan 8.280 nan 0.000 0.453 263 W N 3.937 125.279 121.300 0.070 0.000 2.238 263 W HA 0.532 5.192 4.660 -0.000 0.000 0.321 263 W C -0.517 175.893 176.519 -0.181 0.000 1.293 263 W CA -0.279 57.013 57.345 -0.089 0.000 1.204 263 W CB 0.603 29.948 29.460 -0.193 0.000 1.167 263 W HN 0.227 nan 8.180 nan 0.000 0.553 264 I N 5.254 125.864 120.570 0.066 0.000 2.315 264 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 264 I C 0.201 176.123 176.117 -0.326 0.000 1.006 264 I CA -0.658 60.497 61.300 -0.242 0.000 1.265 264 I CB 0.400 38.260 38.000 -0.234 0.000 1.387 264 I HN 0.283 nan 8.210 nan 0.000 0.475 265 R N 5.618 125.800 120.500 -0.531 0.000 2.589 265 R HA 0.840 5.180 4.340 -0.000 0.000 0.293 265 R C -0.753 175.340 176.300 -0.346 0.000 0.963 265 R CA -1.004 54.785 56.100 -0.518 0.000 0.905 265 R CB 2.156 32.051 30.300 -0.675 0.000 1.144 265 R HN 0.673 nan 8.270 nan 0.000 0.459 266 A N 2.681 125.486 122.820 -0.024 0.000 2.872 266 A HA 0.203 4.523 4.320 -0.000 0.000 0.305 266 A C -0.982 176.784 177.584 0.303 0.000 1.171 266 A CA -0.679 51.430 52.037 0.121 0.000 0.782 266 A CB 0.301 19.283 19.000 -0.031 0.000 1.329 266 A HN 0.866 nan 8.150 nan 0.000 0.432 267 N N 3.683 122.551 118.700 0.280 0.000 2.420 267 N HA 0.385 5.125 4.740 -0.000 0.000 0.249 267 N C -2.588 172.943 175.510 0.035 0.000 1.033 267 N CA -1.685 51.435 53.050 0.116 0.000 0.944 267 N CB 1.566 40.075 38.487 0.036 0.000 1.113 267 N HN 0.316 nan 8.380 nan 0.000 0.502 268 P HA 0.028 nan 4.420 nan 0.000 0.275 268 P C 0.219 177.323 177.300 -0.328 0.000 1.228 268 P CA -0.183 62.705 63.100 -0.353 0.000 0.786 268 P CB 1.182 32.717 31.700 -0.275 0.000 0.927 269 S N 0.540 115.996 115.700 -0.407 0.000 2.496 269 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 269 S C 0.717 175.147 174.600 -0.283 0.000 0.996 269 S CA 0.355 58.387 58.200 -0.281 0.000 0.927 269 S CB -0.500 62.566 63.200 -0.225 0.000 0.774 269 S HN 0.541 nan 8.310 nan 0.000 0.524 270 N N -0.248 118.207 118.700 -0.408 0.000 2.396 270 N HA 0.560 5.300 4.740 -0.000 0.000 0.275 270 N C -0.337 174.955 175.510 -0.363 0.000 1.218 270 N CA 0.830 53.641 53.050 -0.399 0.000 0.812 270 N CB 1.470 39.569 38.487 -0.647 0.000 1.592 270 N HN 0.560 nan 8.380 nan 0.000 0.480 271 G N 1.111 109.763 108.800 -0.248 0.000 2.710 271 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.668 271 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.668 271 G C -0.870 173.926 174.900 -0.173 0.000 1.320 271 G CA -0.540 44.440 45.100 -0.200 0.000 0.860 271 G HN 0.827 nan 8.290 nan 0.000 0.538 272 R N 0.688 121.097 120.500 -0.151 0.000 2.486 272 R HA 0.122 4.462 4.340 -0.000 0.000 0.303 272 R C 0.874 177.063 176.300 -0.185 0.000 0.958 272 R CA 1.179 57.190 56.100 -0.149 0.000 1.077 272 R CB -0.442 29.782 30.300 -0.127 0.000 0.921 272 R HN 0.622 nan 8.270 nan 0.000 0.406 273 N N 1.727 120.298 118.700 -0.215 0.000 2.671 273 N HA 0.562 5.302 4.740 -0.000 0.000 0.303 273 N C -0.444 174.813 175.510 -0.421 0.000 1.277 273 N CA -0.493 52.381 53.050 -0.293 0.000 0.933 273 N CB 1.204 39.539 38.487 -0.252 0.000 1.190 273 N HN 0.729 nan 8.380 nan 0.000 0.600 274 G N -0.358 108.023 108.800 -0.699 0.000 2.828 274 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.463 274 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.463 274 G C -0.746 173.455 174.900 -1.165 0.000 1.394 274 G CA -0.485 44.055 45.100 -0.933 0.000 0.862 274 G HN 0.445 nan 8.290 nan 0.000 0.540 275 F N 0.415 120.254 119.950 -0.185 0.000 2.805 275 F HA 0.331 4.858 4.527 -0.000 0.000 0.317 275 F C 1.461 177.121 175.800 -0.234 0.000 1.146 275 F CA -0.116 57.720 58.000 -0.273 0.000 1.265 275 F CB 0.526 39.288 39.000 -0.397 0.000 0.992 275 F HN 0.407 nan 8.300 nan 0.000 0.511 276 T N 0.594 115.095 114.554 -0.087 0.000 2.817 276 T HA 0.398 4.748 4.350 -0.000 0.000 0.295 276 T C 1.284 175.960 174.700 -0.041 0.000 0.958 276 T CA 0.920 62.990 62.100 -0.050 0.000 1.157 276 T CB 0.705 69.541 68.868 -0.053 0.000 0.898 276 T HN 0.686 nan 8.240 nan 0.000 0.536 277 G N 2.423 111.216 108.800 -0.012 0.000 2.225 277 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.254 277 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.254 277 G C 0.928 175.827 174.900 -0.001 0.000 0.988 277 G CA 0.182 45.287 45.100 0.008 0.000 0.625 277 G HN 1.931 nan 8.290 nan 0.000 0.527 278 G N -0.482 108.257 108.800 -0.101 0.000 2.134 278 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.209 278 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.209 278 G C 0.602 175.404 174.900 -0.163 0.000 0.993 278 G CA 0.624 45.571 45.100 -0.254 0.000 0.669 278 G HN 2.201 nan 8.290 nan 0.000 0.519 279 I N -3.130 117.386 120.570 -0.090 0.000 3.060 279 I HA 0.481 4.651 4.170 -0.000 0.000 0.285 279 I C 0.942 177.051 176.117 -0.014 0.000 1.190 279 I CA 0.274 61.542 61.300 -0.052 0.000 1.363 279 I CB 0.263 38.225 38.000 -0.062 0.000 1.396 279 I HN 0.041 nan 8.210 nan 0.000 0.607 280 N N 1.553 120.256 118.700 0.006 0.000 2.708 280 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 280 N C -0.756 174.795 175.510 0.067 0.000 1.097 280 N CA 1.215 54.310 53.050 0.076 0.000 0.710 280 N CB -1.259 37.290 38.487 0.103 0.000 1.032 280 N HN 0.781 nan 8.380 nan 0.000 0.551 281 S N -1.336 114.330 115.700 -0.057 0.000 2.651 281 S HA 0.955 5.425 4.470 -0.000 0.000 0.279 281 S C -0.377 174.223 174.600 0.000 0.000 1.148 281 S CA -0.197 57.920 58.200 -0.139 0.000 0.837 281 S CB 2.846 65.755 63.200 -0.485 0.000 1.138 281 S HN 0.507 nan 8.310 nan 0.000 0.478 282 A N 0.482 123.362 122.820 0.100 0.000 2.602 282 A HA 0.843 5.163 4.320 -0.000 0.000 0.290 282 A C -1.853 175.864 177.584 0.222 0.000 1.114 282 A CA -0.684 51.431 52.037 0.129 0.000 0.683 282 A CB 0.702 19.720 19.000 0.029 0.000 1.281 282 A HN 0.658 nan 8.150 nan 0.000 0.416 283 I N 0.534 121.177 120.570 0.122 0.000 2.354 283 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 283 I C -0.972 175.185 176.117 0.067 0.000 0.989 283 I CA -0.145 61.192 61.300 0.061 0.000 1.188 283 I CB 1.444 39.421 38.000 -0.037 0.000 1.342 283 I HN 0.560 nan 8.210 nan 0.000 0.457 284 F N 7.391 127.305 119.950 -0.060 0.000 2.334 284 F HA 0.424 4.951 4.527 -0.000 0.000 0.365 284 F C 0.331 176.159 175.800 0.046 0.000 1.124 284 F CA -0.397 57.558 58.000 -0.075 0.000 1.166 284 F CB 0.144 39.069 39.000 -0.126 0.000 1.355 284 F HN 0.391 nan 8.300 nan 0.000 0.532 285 R N 4.983 125.335 120.500 -0.247 0.000 2.562 285 R HA 0.356 4.696 4.340 -0.000 0.000 0.298 285 R C -1.680 174.506 176.300 -0.190 0.000 0.961 285 R CA -0.571 55.472 56.100 -0.096 0.000 0.881 285 R CB 0.901 31.147 30.300 -0.090 0.000 1.159 285 R HN 0.457 nan 8.270 nan 0.000 0.450 286 Y N 2.223 122.428 120.300 -0.157 0.000 2.359 286 Y HA 0.030 4.580 4.550 -0.000 0.000 0.330 286 Y C 0.790 176.646 175.900 -0.074 0.000 1.143 286 Y CA 0.263 58.301 58.100 -0.104 0.000 1.318 286 Y CB 0.956 39.428 38.460 0.020 0.000 1.234 286 Y HN 0.571 nan 8.280 nan 0.000 0.522 287 Q N 1.942 121.756 119.800 0.024 0.000 2.304 287 Q HA 0.148 4.488 4.340 -0.000 0.000 0.315 287 Q C 1.128 177.169 176.000 0.068 0.000 1.075 287 Q CA 1.344 57.163 55.803 0.027 0.000 0.988 287 Q CB -0.008 28.741 28.738 0.017 0.000 1.146 287 Q HN 1.052 nan 8.270 nan 0.000 0.383 288 G N 1.993 110.814 108.800 0.034 0.000 2.205 288 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.261 288 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.261 288 G C 0.269 175.180 174.900 0.017 0.000 0.980 288 G CA 0.159 45.275 45.100 0.027 0.000 0.632 288 G HN 1.067 nan 8.290 nan 0.000 0.533 289 A N 0.354 123.190 122.820 0.026 0.000 2.327 289 A HA 0.823 5.143 4.320 -0.000 0.000 0.255 289 A C 1.153 178.716 177.584 -0.035 0.000 1.099 289 A CA 0.995 53.027 52.037 -0.009 0.000 0.801 289 A CB 0.144 19.142 19.000 -0.005 0.000 1.062 289 A HN 2.117 nan 8.150 nan 0.000 0.496 290 A N -0.237 122.548 122.820 -0.059 0.000 2.462 290 A HA 0.457 4.776 4.320 -0.000 0.000 0.243 290 A C 0.166 177.710 177.584 -0.067 0.000 1.076 290 A CA -0.272 51.728 52.037 -0.062 0.000 0.773 290 A CB -0.248 18.707 19.000 -0.074 0.000 1.010 290 A HN 1.161 nan 8.150 nan 0.000 0.493 291 V N 2.116 121.996 119.914 -0.056 0.000 2.390 291 V HA 0.445 4.564 4.120 -0.000 0.000 0.260 291 V C 0.711 176.761 176.094 -0.073 0.000 1.043 291 V CA 0.974 63.238 62.300 -0.060 0.000 1.047 291 V CB -0.926 30.871 31.823 -0.045 0.000 1.066 291 V HN 1.183 nan 8.190 nan 0.000 0.481 292 A N 4.404 127.163 122.820 -0.102 0.000 2.609 292 A HA 0.676 4.996 4.320 -0.000 0.000 0.291 292 A C -0.520 176.953 177.584 -0.184 0.000 1.096 292 A CA -0.821 51.141 52.037 -0.125 0.000 0.684 292 A CB 1.183 20.104 19.000 -0.133 0.000 1.282 292 A HN 0.538 nan 8.150 nan 0.000 0.412 293 E N 1.269 121.352 120.200 -0.195 0.000 2.324 293 E HA 0.285 4.635 4.350 -0.000 0.000 0.271 293 E C -2.179 174.106 176.600 -0.525 0.000 1.028 293 E CA -1.119 55.102 56.400 -0.299 0.000 0.890 293 E CB 0.364 29.984 29.700 -0.132 0.000 1.004 293 E HN 0.287 nan 8.360 nan 0.000 0.431 294 P HA -0.005 nan 4.420 nan 0.000 0.269 294 P C 0.207 177.009 177.300 -0.831 0.000 1.217 294 P CA 0.289 62.693 63.100 -1.160 0.000 0.783 294 P CB 0.544 31.042 31.700 -2.005 0.000 0.898 295 T N -4.592 109.676 114.554 -0.476 0.000 3.192 295 T HA 0.104 4.454 4.350 -0.000 0.000 0.295 295 T C 0.276 174.954 174.700 -0.037 0.000 0.947 295 T CA -0.405 61.619 62.100 -0.126 0.000 0.916 295 T CB -0.856 67.948 68.868 -0.106 0.000 1.169 295 T HN 0.435 nan 8.240 nan 0.000 0.540 296 T N 2.193 116.690 114.554 -0.095 0.000 2.918 296 T HA 0.476 4.826 4.350 -0.000 0.000 0.302 296 T C 0.502 175.304 174.700 0.170 0.000 1.045 296 T CA -0.498 61.620 62.100 0.030 0.000 1.114 296 T CB 1.085 69.988 68.868 0.059 0.000 0.965 296 T HN 0.407 nan 8.240 nan 0.000 0.540 297 S N 2.200 117.960 115.700 0.100 0.000 2.562 297 S HA 0.236 4.706 4.470 -0.000 0.000 0.275 297 S C 0.144 174.772 174.600 0.046 0.000 1.281 297 S CA -0.980 57.266 58.200 0.076 0.000 1.045 297 S CB 0.941 64.168 63.200 0.045 0.000 0.962 297 S HN 0.948 nan 8.310 nan 0.000 0.503 298 Q N 1.979 121.781 119.800 0.003 0.000 2.651 298 Q HA 0.023 4.363 4.340 -0.000 0.000 0.224 298 Q C 0.472 176.457 176.000 -0.025 0.000 1.094 298 Q CA -0.490 55.285 55.803 -0.046 0.000 1.018 298 Q CB 0.215 28.912 28.738 -0.067 0.000 1.292 298 Q HN 0.921 nan 8.270 nan 0.000 0.588 299 N N 0.261 118.933 118.700 -0.048 0.000 2.174 299 N HA -0.126 4.614 4.740 -0.000 0.000 0.229 299 N C -1.385 174.110 175.510 -0.025 0.000 1.259 299 N CA 0.745 53.769 53.050 -0.044 0.000 0.859 299 N CB 0.176 38.630 38.487 -0.055 0.000 1.086 299 N HN 0.501 nan 8.380 nan 0.000 0.446 300 S N -1.704 113.979 115.700 -0.029 0.000 2.648 300 S HA 0.676 5.145 4.470 -0.000 0.000 0.305 300 S C 1.474 176.061 174.600 -0.021 0.000 1.094 300 S CA -0.578 57.608 58.200 -0.023 0.000 0.983 300 S CB 1.275 64.459 63.200 -0.026 0.000 1.101 300 S HN 0.830 nan 8.310 nan 0.000 0.514 301 G N 1.526 110.317 108.800 -0.016 0.000 2.896 301 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.225 301 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.225 301 G C 0.517 175.408 174.900 -0.015 0.000 1.265 301 G CA 1.360 46.452 45.100 -0.012 0.000 0.778 301 G HN 0.741 nan 8.290 nan 0.000 0.714 302 T N 2.485 117.030 114.554 -0.015 0.000 2.866 302 T HA 0.407 4.757 4.350 -0.000 0.000 0.241 302 T C 0.675 175.362 174.700 -0.022 0.000 1.018 302 T CA 0.282 62.373 62.100 -0.014 0.000 1.368 302 T CB -0.522 68.338 68.868 -0.013 0.000 1.025 302 T HN 0.701 nan 8.240 nan 0.000 0.575 303 A N 3.634 126.442 122.820 -0.020 0.000 2.332 303 A HA 0.565 4.885 4.320 -0.000 0.000 0.258 303 A C 0.458 178.022 177.584 -0.033 0.000 1.087 303 A CA -0.748 51.272 52.037 -0.029 0.000 0.802 303 A CB 0.284 19.271 19.000 -0.021 0.000 1.042 303 A HN 0.858 nan 8.150 nan 0.000 0.489 304 L N 1.691 122.880 121.223 -0.058 0.000 2.455 304 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 304 L C 0.066 176.921 176.870 -0.024 0.000 1.174 304 L CA -0.014 54.786 54.840 -0.066 0.000 0.869 304 L CB 0.232 42.199 42.059 -0.153 0.000 1.130 304 L HN 0.767 nan 8.230 nan 0.000 0.474 305 N N 3.726 122.425 118.700 -0.001 0.000 2.442 305 N HA 0.109 4.849 4.740 -0.000 0.000 0.274 305 N C 0.409 175.944 175.510 0.042 0.000 1.002 305 N CA -0.347 52.719 53.050 0.027 0.000 0.910 305 N CB 1.614 40.117 38.487 0.026 0.000 1.244 305 N HN 0.829 nan 8.380 nan 0.000 0.492 306 E N 2.733 122.973 120.200 0.068 0.000 2.147 306 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 306 E C 1.308 177.955 176.600 0.078 0.000 1.005 306 E CA 1.856 58.309 56.400 0.090 0.000 0.810 306 E CB 0.090 29.863 29.700 0.121 0.000 0.736 306 E HN 0.741 nan 8.360 nan 0.000 0.460 307 A N 0.416 123.272 122.820 0.060 0.000 2.216 307 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 307 A C 1.422 179.040 177.584 0.057 0.000 1.160 307 A CA 0.948 53.015 52.037 0.050 0.000 0.725 307 A CB -0.094 18.922 19.000 0.028 0.000 0.784 307 A HN 0.160 nan 8.150 nan 0.000 0.472 308 N N -0.716 118.019 118.700 0.059 0.000 2.282 308 N HA 0.192 4.932 4.740 -0.000 0.000 0.185 308 N C -0.053 175.508 175.510 0.086 0.000 1.099 308 N CA 0.127 53.214 53.050 0.061 0.000 0.878 308 N CB 0.068 38.580 38.487 0.042 0.000 0.993 308 N HN 0.411 nan 8.380 nan 0.000 0.481 309 L N 1.219 122.504 121.223 0.103 0.000 2.349 309 L HA 0.366 4.706 4.340 -0.000 0.000 0.275 309 L C -0.054 176.991 176.870 0.292 0.000 1.115 309 L CA -0.091 54.850 54.840 0.169 0.000 0.820 309 L CB 0.957 43.047 42.059 0.052 0.000 1.135 309 L HN -0.159 nan 8.230 nan 0.000 0.445 310 I N 4.285 125.059 120.570 0.341 0.000 2.436 310 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 310 I C -2.262 173.879 176.117 0.039 0.000 1.010 310 I CA -2.135 59.289 61.300 0.208 0.000 1.098 310 I CB 2.139 40.210 38.000 0.119 0.000 1.266 310 I HN 0.326 nan 8.210 nan 0.000 0.434 311 P HA 0.034 nan 4.420 nan 0.000 0.268 311 P C 0.310 177.494 177.300 -0.193 0.000 1.205 311 P CA -0.240 62.494 63.100 -0.610 0.000 0.771 311 P CB 0.804 32.278 31.700 -0.375 0.000 0.858 312 L N 5.684 126.839 121.223 -0.113 0.000 1.899 312 L HA -0.035 4.305 4.340 -0.000 0.000 0.220 312 L C 0.794 177.652 176.870 -0.021 0.000 1.091 312 L CA 1.409 56.246 54.840 -0.004 0.000 0.781 312 L CB -0.913 41.160 42.059 0.023 0.000 0.886 312 L HN 0.265 nan 8.230 nan 0.000 0.430 313 I N 1.925 122.480 120.570 -0.024 0.000 2.752 313 I HA -0.118 4.052 4.170 -0.000 0.000 0.286 313 I C 0.042 176.156 176.117 -0.005 0.000 1.180 313 I CA 0.000 61.295 61.300 -0.009 0.000 1.404 313 I CB -0.521 37.478 38.000 -0.002 0.000 1.389 313 I HN 0.364 nan 8.210 nan 0.000 0.549 314 N N 8.552 127.256 118.700 0.007 0.000 2.068 314 N HA -0.052 4.688 4.740 -0.000 0.000 0.290 314 N C -2.204 173.321 175.510 0.024 0.000 1.372 314 N CA -0.106 52.954 53.050 0.017 0.000 0.863 314 N CB -0.316 38.184 38.487 0.022 0.000 1.174 314 N HN 0.372 nan 8.380 nan 0.000 0.494 315 P HA 0.396 nan 4.420 nan 0.000 0.305 315 P C -0.359 176.977 177.300 0.060 0.000 1.378 315 P CA -0.809 62.317 63.100 0.043 0.000 0.926 315 P CB 1.702 33.421 31.700 0.033 0.000 1.051 316 G N 1.809 110.651 108.800 0.069 0.000 2.347 316 G HA2 0.494 4.454 3.960 -0.000 0.000 0.314 316 G HA3 0.494 4.454 3.960 -0.000 0.000 0.314 316 G C 0.033 174.998 174.900 0.109 0.000 1.126 316 G CA -0.731 44.417 45.100 0.081 0.000 0.929 316 G HN 0.651 nan 8.290 nan 0.000 0.441 317 A N 5.321 128.227 122.820 0.143 0.000 2.512 317 A HA 0.373 4.693 4.320 -0.000 0.000 0.278 317 A C -1.645 176.045 177.584 0.176 0.000 1.128 317 A CA -0.548 51.606 52.037 0.196 0.000 0.818 317 A CB -0.463 18.701 19.000 0.273 0.000 1.044 317 A HN 0.500 nan 8.150 nan 0.000 0.526 318 P HA 0.308 nan 4.420 nan 0.000 0.267 318 P C 1.043 178.372 177.300 0.050 0.000 1.195 318 P CA 1.637 64.783 63.100 0.077 0.000 0.773 318 P CB 0.434 32.170 31.700 0.061 0.000 0.837 319 G N 1.628 110.431 108.800 0.005 0.000 2.632 319 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.224 319 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.224 319 G C -0.862 173.993 174.900 -0.074 0.000 1.341 319 G CA -0.735 44.343 45.100 -0.038 0.000 0.880 319 G HN 0.611 nan 8.290 nan 0.000 0.566 320 N N 1.520 120.139 118.700 -0.135 0.000 2.498 320 N HA 0.495 5.235 4.740 -0.000 0.000 0.287 320 N C -2.273 172.975 175.510 -0.436 0.000 1.097 320 N CA -1.162 51.766 53.050 -0.204 0.000 0.973 320 N CB 1.730 40.118 38.487 -0.165 0.000 1.153 320 N HN 0.256 nan 8.380 nan 0.000 0.472 321 P HA 0.090 nan 4.420 nan 0.000 0.236 321 P C -0.305 176.472 177.300 -0.872 0.000 1.709 321 P CA 0.113 62.649 63.100 -0.940 0.000 0.942 321 P CB 0.307 31.822 31.700 -0.308 0.000 1.615 322 V N 0.460 119.967 119.914 -0.678 0.000 2.555 322 V HA 0.583 4.703 4.120 -0.000 0.000 0.302 322 V C -2.613 173.322 176.094 -0.265 0.000 1.038 322 V CA -3.187 58.899 62.300 -0.356 0.000 0.887 322 V CB 2.224 33.922 31.823 -0.208 0.000 0.991 322 V HN -0.108 nan 8.190 nan 0.000 0.434 323 P HA 0.276 nan 4.420 nan 0.000 0.267 323 P C 0.833 178.073 177.300 -0.099 0.000 1.200 323 P CA 1.511 64.564 63.100 -0.079 0.000 0.772 323 P CB 0.752 32.215 31.700 -0.394 0.000 0.855 324 G N 1.733 110.497 108.800 -0.060 0.000 2.212 324 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.266 324 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.266 324 G C 1.183 176.032 174.900 -0.085 0.000 0.978 324 G CA 0.399 45.456 45.100 -0.071 0.000 0.632 324 G HN 0.803 nan 8.290 nan 0.000 0.537 325 G N 0.299 109.034 108.800 -0.108 0.000 2.813 325 G HA2 0.544 4.504 3.960 -0.000 0.000 0.209 325 G HA3 0.544 4.504 3.960 -0.000 0.000 0.209 325 G C 1.096 175.929 174.900 -0.112 0.000 1.150 325 G CA 1.449 46.470 45.100 -0.132 0.000 0.785 325 G HN 1.572 nan 8.290 nan 0.000 0.535 326 A N 0.469 123.236 122.820 -0.089 0.000 2.281 326 A HA 0.340 4.660 4.320 -0.000 0.000 0.271 326 A C 1.252 178.779 177.584 -0.096 0.000 1.196 326 A CA 0.358 52.340 52.037 -0.093 0.000 0.807 326 A CB 0.314 19.253 19.000 -0.102 0.000 1.138 326 A HN 0.140 nan 8.150 nan 0.000 0.506 327 D N -1.123 119.213 120.400 -0.107 0.000 2.240 327 D HA 0.108 4.748 4.640 -0.000 0.000 0.206 327 D C -0.136 176.106 176.300 -0.095 0.000 0.963 327 D CA 1.278 55.223 54.000 -0.093 0.000 0.863 327 D CB 0.120 40.866 40.800 -0.090 0.000 0.973 327 D HN 0.364 nan 8.370 nan 0.000 0.501 328 I N 1.582 122.075 120.570 -0.128 0.000 2.410 328 I HA 0.117 4.286 4.170 -0.000 0.000 0.286 328 I C -0.487 175.549 176.117 -0.134 0.000 1.009 328 I CA -0.684 60.541 61.300 -0.126 0.000 1.111 328 I CB 1.673 39.580 38.000 -0.155 0.000 1.262 328 I HN -0.247 nan 8.210 nan 0.000 0.443 329 N N 8.659 127.303 118.700 -0.093 0.000 2.479 329 N HA 0.422 5.162 4.740 -0.000 0.000 0.261 329 N C -1.869 173.605 175.510 -0.059 0.000 0.979 329 N CA -0.478 52.521 53.050 -0.085 0.000 0.930 329 N CB 1.043 39.489 38.487 -0.069 0.000 1.172 329 N HN 0.242 nan 8.380 nan 0.000 0.499 330 L N 2.378 123.567 121.223 -0.058 0.000 2.346 330 L HA 0.515 4.855 4.340 -0.000 0.000 0.276 330 L C 0.410 177.258 176.870 -0.037 0.000 1.006 330 L CA -0.578 54.253 54.840 -0.015 0.000 0.817 330 L CB 0.925 43.015 42.059 0.052 0.000 1.272 330 L HN 0.637 nan 8.230 nan 0.000 0.421 331 N N 3.666 122.349 118.700 -0.027 0.000 2.444 331 N HA 0.414 5.154 4.740 -0.000 0.000 0.262 331 N C -1.372 174.117 175.510 -0.035 0.000 0.974 331 N CA -0.457 52.566 53.050 -0.044 0.000 0.933 331 N CB 1.103 39.571 38.487 -0.031 0.000 1.137 331 N HN 0.544 nan 8.380 nan 0.000 0.498 332 L N 3.769 124.951 121.223 -0.069 0.000 2.262 332 L HA 0.449 4.789 4.340 -0.000 0.000 0.288 332 L C 0.573 177.399 176.870 -0.074 0.000 1.035 332 L CA -0.579 54.225 54.840 -0.060 0.000 0.820 332 L CB 1.128 43.133 42.059 -0.090 0.000 1.204 332 L HN 0.369 nan 8.230 nan 0.000 0.424 333 R N 4.100 124.582 120.500 -0.030 0.000 2.393 333 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 333 R C -0.736 175.569 176.300 0.009 0.000 0.968 333 R CA -0.661 55.428 56.100 -0.019 0.000 0.867 333 R CB 1.525 31.824 30.300 -0.002 0.000 1.124 333 R HN 0.602 nan 8.270 nan 0.000 0.450 334 I N 3.594 124.171 120.570 0.012 0.000 2.371 334 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 334 I C 0.754 176.931 176.117 0.100 0.000 1.028 334 I CA -0.105 61.231 61.300 0.059 0.000 1.345 334 I CB 1.614 39.623 38.000 0.013 0.000 1.407 334 I HN 0.740 nan 8.210 nan 0.000 0.501 335 G N 6.249 115.128 108.800 0.133 0.000 2.568 335 G HA2 0.730 4.690 3.960 -0.000 0.000 0.313 335 G HA3 0.730 4.690 3.960 -0.000 0.000 0.313 335 G C -0.575 174.367 174.900 0.070 0.000 1.227 335 G CA -0.618 44.535 45.100 0.088 0.000 0.979 335 G HN 0.541 nan 8.290 nan 0.000 0.486 336 R N -0.776 119.697 120.500 -0.044 0.000 3.328 336 R HA 0.566 4.906 4.340 -0.000 0.000 0.232 336 R C -1.058 175.127 176.300 -0.192 0.000 1.606 336 R CA -0.944 55.017 56.100 -0.231 0.000 1.025 336 R CB 1.509 31.641 30.300 -0.280 0.000 1.701 336 R HN 0.551 nan 8.270 nan 0.000 0.526 337 N N -0.593 117.953 118.700 -0.256 0.000 2.521 337 N HA 0.134 4.873 4.740 -0.000 0.000 0.269 337 N C -0.181 175.225 175.510 -0.173 0.000 1.079 337 N CA 0.414 53.361 53.050 -0.171 0.000 0.980 337 N CB 1.926 40.328 38.487 -0.143 0.000 1.667 337 N HN 0.617 nan 8.380 nan 0.000 0.498 338 A N 2.852 125.605 122.820 -0.112 0.000 2.631 338 A HA -0.291 4.028 4.320 -0.000 0.000 0.219 338 A C 1.573 179.098 177.584 -0.098 0.000 1.306 338 A CA 3.238 55.222 52.037 -0.089 0.000 1.012 338 A CB -2.140 16.824 19.000 -0.061 0.000 0.726 338 A HN 0.918 nan 8.150 nan 0.000 0.541 339 T N -2.680 111.827 114.554 -0.078 0.000 6.123 339 T HA 0.267 4.617 4.350 -0.000 0.000 0.315 339 T C 0.536 175.182 174.700 -0.090 0.000 0.836 339 T CA 1.106 63.165 62.100 -0.069 0.000 1.258 339 T CB -0.650 68.188 68.868 -0.049 0.000 0.952 339 T HN 0.633 nan 8.240 nan 0.000 0.260 340 T N 0.605 115.121 114.554 -0.063 0.000 3.313 340 T HA 0.625 4.975 4.350 -0.000 0.000 0.333 340 T C -0.176 174.526 174.700 0.003 0.000 0.904 340 T CA -0.068 62.002 62.100 -0.049 0.000 1.079 340 T CB 0.870 69.746 68.868 0.013 0.000 1.017 340 T HN 0.812 nan 8.240 nan 0.000 0.471 341 A N 2.736 125.550 122.820 -0.010 0.000 2.577 341 A HA 0.380 4.700 4.320 -0.000 0.000 0.195 341 A C -0.237 177.362 177.584 0.025 0.000 1.407 341 A CA -0.201 51.852 52.037 0.026 0.000 1.056 341 A CB 0.450 19.457 19.000 0.011 0.000 1.165 341 A HN 0.503 nan 8.150 nan 0.000 0.472 342 D N -0.284 120.103 120.400 -0.021 0.000 2.586 342 D HA 0.419 5.058 4.640 -0.000 0.000 0.254 342 D C -1.210 175.068 176.300 -0.036 0.000 1.248 342 D CA -0.115 53.883 54.000 -0.004 0.000 0.843 342 D CB -0.065 40.718 40.800 -0.028 0.000 1.332 342 D HN 0.007 nan 8.370 nan 0.000 0.523 343 F N 0.774 120.729 119.950 0.009 0.000 2.378 343 F HA 0.491 5.018 4.527 -0.000 0.000 0.319 343 F C 1.113 176.922 175.800 0.015 0.000 1.155 343 F CA 0.316 58.312 58.000 -0.007 0.000 1.157 343 F CB 1.378 40.364 39.000 -0.025 0.000 1.252 343 F HN -0.021 nan 8.300 nan 0.000 0.550 344 T N 2.882 117.623 114.554 0.310 0.000 2.933 344 T HA 0.632 4.982 4.350 -0.000 0.000 0.305 344 T C -0.892 173.900 174.700 0.153 0.000 1.092 344 T CA -0.546 61.657 62.100 0.172 0.000 1.008 344 T CB 1.564 70.491 68.868 0.099 0.000 1.102 344 T HN 0.301 nan 8.240 nan 0.000 0.469 345 I N 2.625 123.265 120.570 0.116 0.000 2.468 345 I HA 0.333 4.503 4.170 -0.000 0.000 0.285 345 I C -0.520 175.636 176.117 0.065 0.000 1.039 345 I CA -0.918 60.434 61.300 0.086 0.000 1.074 345 I CB 1.553 39.611 38.000 0.096 0.000 1.228 345 I HN 0.610 nan 8.210 nan 0.000 0.436 346 N N 4.793 123.521 118.700 0.047 0.000 2.705 346 N HA -0.183 4.556 4.740 -0.000 0.000 0.255 346 N C 0.613 176.146 175.510 0.039 0.000 1.008 346 N CA 1.441 54.513 53.050 0.037 0.000 0.742 346 N CB -0.995 37.514 38.487 0.037 0.000 0.906 346 N HN 1.118 nan 8.380 nan 0.000 0.541 347 G N -1.063 107.761 108.800 0.040 0.000 2.370 347 G HA2 0.248 4.208 3.960 -0.000 0.000 0.293 347 G HA3 0.248 4.208 3.960 -0.000 0.000 0.293 347 G C -0.026 174.896 174.900 0.036 0.000 0.992 347 G CA 0.667 45.787 45.100 0.034 0.000 1.247 347 G HN 1.529 nan 8.290 nan 0.000 0.505 348 A N 1.427 124.276 122.820 0.049 0.000 2.547 348 A HA 0.785 5.105 4.320 -0.000 0.000 0.300 348 A C -2.744 174.887 177.584 0.077 0.000 1.061 348 A CA -0.503 51.563 52.037 0.048 0.000 0.808 348 A CB 2.002 21.028 19.000 0.043 0.000 1.304 348 A HN 0.461 nan 8.150 nan 0.000 0.393 349 P HA 0.415 nan 4.420 nan 0.000 0.281 349 P C -0.593 176.779 177.300 0.121 0.000 1.249 349 P CA -0.316 62.848 63.100 0.107 0.000 0.810 349 P CB 0.665 32.406 31.700 0.068 0.000 1.008 350 F N 4.404 124.393 119.950 0.065 0.000 2.438 350 F HA 0.286 4.813 4.527 -0.000 0.000 0.360 350 F C 0.469 176.304 175.800 0.058 0.000 1.118 350 F CA -0.486 57.556 58.000 0.070 0.000 1.164 350 F CB -0.222 38.836 39.000 0.098 0.000 1.131 350 F HN 0.131 nan 8.300 nan 0.000 0.527 351 I N 8.018 128.302 120.570 -0.476 0.000 2.362 351 I HA 0.540 4.710 4.170 -0.000 0.000 0.289 351 I C -2.749 173.025 176.117 -0.573 0.000 0.994 351 I CA -2.577 58.522 61.300 -0.335 0.000 1.158 351 I CB 1.918 39.807 38.000 -0.186 0.000 1.315 351 I HN 0.299 nan 8.210 nan 0.000 0.451 352 P HA 0.319 nan 4.420 nan 0.000 0.276 352 P C -2.588 174.556 177.300 -0.260 0.000 1.235 352 P CA -0.914 62.057 63.100 -0.215 0.000 0.772 352 P CB 0.430 32.200 31.700 0.117 0.000 0.871 353 P HA 0.089 nan 4.420 nan 0.000 0.278 353 P C 1.058 178.219 177.300 -0.232 0.000 1.258 353 P CA -0.193 62.793 63.100 -0.189 0.000 0.811 353 P CB 0.621 32.251 31.700 -0.116 0.000 1.063 354 T N -2.234 112.207 114.554 -0.189 0.000 2.951 354 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 354 T C 0.806 175.478 174.700 -0.047 0.000 1.073 354 T CA 0.595 62.594 62.100 -0.168 0.000 1.134 354 T CB -0.684 68.125 68.868 -0.099 0.000 0.884 354 T HN 0.181 nan 8.240 nan 0.000 0.479 355 V N 3.401 123.302 119.914 -0.021 0.000 2.364 355 V HA 0.401 4.521 4.120 -0.000 0.000 0.272 355 V C -2.548 173.583 176.094 0.060 0.000 1.036 355 V CA -2.627 59.689 62.300 0.026 0.000 0.880 355 V CB 0.782 32.613 31.823 0.013 0.000 0.991 355 V HN 0.183 nan 8.190 nan 0.000 0.460 356 P HA 0.096 nan 4.420 nan 0.000 0.268 356 P C 1.138 178.483 177.300 0.076 0.000 1.204 356 P CA 0.031 63.198 63.100 0.111 0.000 0.768 356 P CB 0.857 32.607 31.700 0.082 0.000 0.842 357 V N 3.762 123.701 119.914 0.041 0.000 2.453 357 V HA -0.243 3.877 4.120 -0.000 0.000 0.252 357 V C 2.221 178.315 176.094 0.000 0.000 1.068 357 V CA 1.625 63.931 62.300 0.010 0.000 1.070 357 V CB -1.064 30.752 31.823 -0.012 0.000 0.664 357 V HN 0.611 nan 8.190 nan 0.000 0.461 358 L N -0.963 120.264 121.223 0.006 0.000 2.046 358 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 358 L C 2.438 179.356 176.870 0.081 0.000 1.077 358 L CA 1.497 56.332 54.840 -0.009 0.000 0.747 358 L CB -0.236 41.810 42.059 -0.021 0.000 0.896 358 L HN 0.342 nan 8.230 nan 0.000 0.432 359 L N 0.070 121.417 121.223 0.207 0.000 1.970 359 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 359 L C 2.621 179.549 176.870 0.097 0.000 1.071 359 L CA 1.952 56.918 54.840 0.211 0.000 0.751 359 L CB -0.813 41.347 42.059 0.168 0.000 0.889 359 L HN 0.356 nan 8.230 nan 0.000 0.432 360 Q N -0.666 119.170 119.800 0.060 0.000 2.152 360 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 360 Q C 2.178 178.191 176.000 0.022 0.000 0.985 360 Q CA 2.154 57.977 55.803 0.033 0.000 0.863 360 Q CB -0.512 28.237 28.738 0.018 0.000 0.904 360 Q HN 0.588 nan 8.270 nan 0.000 0.422 361 I N 0.727 121.303 120.570 0.011 0.000 2.163 361 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 361 I C 2.261 178.373 176.117 -0.008 0.000 1.081 361 I CA 1.031 62.327 61.300 -0.007 0.000 1.353 361 I CB -0.382 37.599 38.000 -0.032 0.000 1.054 361 I HN 0.145 nan 8.210 nan 0.000 0.407 362 L N 0.466 121.684 121.223 -0.009 0.000 2.187 362 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 362 L C 2.521 179.400 176.870 0.016 0.000 1.100 362 L CA 1.113 55.946 54.840 -0.011 0.000 0.765 362 L CB -0.541 41.509 42.059 -0.014 0.000 0.904 362 L HN 0.243 nan 8.230 nan 0.000 0.437 363 S N -0.649 115.070 115.700 0.031 0.000 2.481 363 S HA 0.061 4.531 4.470 -0.000 0.000 0.231 363 S C 1.480 176.092 174.600 0.019 0.000 0.996 363 S CA 0.879 59.098 58.200 0.032 0.000 0.942 363 S CB 0.296 63.518 63.200 0.037 0.000 0.768 363 S HN 0.663 nan 8.310 nan 0.000 0.520 364 G N 0.470 109.277 108.800 0.012 0.000 2.159 364 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.170 364 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.170 364 G C -0.091 174.814 174.900 0.007 0.000 1.007 364 G CA -0.362 44.743 45.100 0.008 0.000 0.672 364 G HN 0.340 nan 8.290 nan 0.000 0.507 365 V N 2.533 122.452 119.914 0.008 0.000 2.322 365 V HA 0.473 4.593 4.120 -0.000 0.000 0.258 365 V C 1.596 177.693 176.094 0.006 0.000 1.074 365 V CA 1.045 63.350 62.300 0.007 0.000 0.909 365 V CB 0.558 32.385 31.823 0.008 0.000 1.090 365 V HN 0.644 nan 8.190 nan 0.000 0.486 366 T N 1.133 115.691 114.554 0.007 0.000 3.023 366 T HA 0.069 4.419 4.350 -0.000 0.000 0.249 366 T C 0.895 175.603 174.700 0.013 0.000 1.050 366 T CA 0.030 62.135 62.100 0.008 0.000 1.088 366 T CB -0.040 68.832 68.868 0.007 0.000 0.946 366 T HN 0.439 nan 8.240 nan 0.000 0.480 367 N N 3.150 121.857 118.700 0.013 0.000 2.430 367 N HA 0.276 5.015 4.740 -0.000 0.000 0.265 367 N C -1.556 173.966 175.510 0.019 0.000 1.100 367 N CA -2.339 50.721 53.050 0.016 0.000 0.961 367 N CB 1.622 40.117 38.487 0.013 0.000 1.075 367 N HN 0.042 nan 8.380 nan 0.000 0.478 368 P HA -0.272 nan 4.420 nan 0.000 0.216 368 P C 1.028 178.344 177.300 0.026 0.000 1.157 368 P CA 1.282 64.403 63.100 0.035 0.000 0.880 368 P CB -0.031 31.699 31.700 0.050 0.000 0.791 369 N N 0.370 119.083 118.700 0.022 0.000 2.182 369 N HA -0.202 4.538 4.740 -0.000 0.000 0.192 369 N C 0.552 176.067 175.510 0.008 0.000 1.007 369 N CA 1.663 54.722 53.050 0.015 0.000 0.873 369 N CB -0.420 38.075 38.487 0.013 0.000 0.998 369 N HN 0.111 nan 8.380 nan 0.000 0.436 370 D N 0.147 120.551 120.400 0.007 0.000 2.349 370 D HA 0.179 4.819 4.640 -0.000 0.000 0.214 370 D C 0.649 176.949 176.300 0.000 0.000 1.063 370 D CA -0.094 53.907 54.000 0.002 0.000 0.847 370 D CB 0.533 41.334 40.800 0.003 0.000 0.933 370 D HN 0.296 nan 8.370 nan 0.000 0.513 371 L N 0.466 121.691 121.223 0.005 0.000 2.475 371 L HA 0.333 4.672 4.340 -0.000 0.000 0.253 371 L C 0.185 177.048 176.870 -0.012 0.000 1.198 371 L CA -0.371 54.470 54.840 0.002 0.000 0.814 371 L CB 0.800 42.867 42.059 0.014 0.000 1.134 371 L HN -0.244 nan 8.230 nan 0.000 0.478 372 L N 1.556 122.765 121.223 -0.024 0.000 2.354 372 L HA 0.550 4.890 4.340 -0.000 0.000 0.264 372 L C -2.381 174.437 176.870 -0.088 0.000 1.008 372 L CA -1.823 52.983 54.840 -0.057 0.000 0.819 372 L CB 2.366 44.382 42.059 -0.071 0.000 1.339 372 L HN 0.367 nan 8.230 nan 0.000 0.420 373 P HA 0.129 nan 4.420 nan 0.000 0.276 373 P C -0.255 176.992 177.300 -0.088 0.000 1.244 373 P CA -0.325 62.673 63.100 -0.170 0.000 0.801 373 P CB 0.767 32.282 31.700 -0.308 0.000 1.006 374 G N 0.107 108.868 108.800 -0.066 0.000 2.254 374 G HA2 0.282 4.242 3.960 -0.000 0.000 0.253 374 G HA3 0.282 4.242 3.960 -0.000 0.000 0.253 374 G C 1.158 176.050 174.900 -0.012 0.000 1.246 374 G CA 0.410 45.492 45.100 -0.030 0.000 0.946 374 G HN 0.864 nan 8.290 nan 0.000 0.474 375 G N 1.684 110.490 108.800 0.010 0.000 2.284 375 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.261 375 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.261 375 G C 1.414 176.343 174.900 0.050 0.000 0.997 375 G CA 1.068 46.186 45.100 0.029 0.000 0.621 375 G HN 1.830 nan 8.290 nan 0.000 0.534 376 A N -0.499 122.354 122.820 0.056 0.000 2.208 376 A HA 0.604 4.924 4.320 -0.000 0.000 0.209 376 A C 0.978 178.639 177.584 0.128 0.000 1.161 376 A CA 1.400 53.509 52.037 0.121 0.000 0.782 376 A CB 0.250 19.358 19.000 0.181 0.000 0.816 376 A HN 1.038 nan 8.150 nan 0.000 0.477 377 V N 1.415 121.383 119.914 0.090 0.000 2.357 377 V HA 0.411 4.531 4.120 -0.000 0.000 0.284 377 V C -0.659 175.497 176.094 0.103 0.000 1.018 377 V CA -0.330 62.026 62.300 0.093 0.000 0.841 377 V CB 1.092 32.963 31.823 0.080 0.000 0.991 377 V HN 0.343 nan 8.190 nan 0.000 0.437 378 I N 4.078 124.737 120.570 0.149 0.000 2.404 378 I HA 0.482 4.652 4.170 -0.000 0.000 0.293 378 I C 0.431 176.713 176.117 0.275 0.000 0.992 378 I CA -0.374 61.060 61.300 0.222 0.000 1.149 378 I CB 2.150 40.336 38.000 0.311 0.000 1.315 378 I HN 0.638 nan 8.210 nan 0.000 0.446 379 S N 7.189 122.997 115.700 0.180 0.000 2.499 379 S HA 0.693 5.163 4.470 -0.000 0.000 0.279 379 S C -0.634 174.045 174.600 0.132 0.000 1.219 379 S CA -0.700 57.591 58.200 0.151 0.000 1.062 379 S CB 0.663 63.918 63.200 0.093 0.000 0.978 379 S HN 0.513 nan 8.310 nan 0.000 0.489 380 L N 4.379 125.677 121.223 0.126 0.000 2.329 380 L HA 0.608 4.948 4.340 -0.000 0.000 0.279 380 L C -2.197 174.698 176.870 0.041 0.000 1.014 380 L CA -2.430 52.440 54.840 0.051 0.000 0.814 380 L CB 2.165 44.222 42.059 -0.002 0.000 1.257 380 L HN 0.529 nan 8.230 nan 0.000 0.424 381 P HA 0.295 nan 4.420 nan 0.000 0.281 381 P C -1.043 176.260 177.300 0.005 0.000 1.264 381 P CA -0.579 62.526 63.100 0.008 0.000 0.824 381 P CB 1.327 33.023 31.700 -0.007 0.000 1.092 382 A N 1.550 124.380 122.820 0.016 0.000 2.354 382 A HA 0.317 4.636 4.320 -0.000 0.000 0.269 382 A C 0.520 178.108 177.584 0.007 0.000 1.109 382 A CA -0.250 51.803 52.037 0.026 0.000 0.800 382 A CB -0.863 18.157 19.000 0.032 0.000 1.045 382 A HN 0.687 nan 8.150 nan 0.000 0.489 383 N N 0.138 118.846 118.700 0.014 0.000 2.740 383 N HA -0.115 4.625 4.740 -0.000 0.000 0.248 383 N C -0.597 174.897 175.510 -0.026 0.000 1.062 383 N CA 1.135 54.186 53.050 0.002 0.000 0.704 383 N CB -0.839 37.652 38.487 0.007 0.000 0.968 383 N HN 0.744 nan 8.380 nan 0.000 0.547 384 Q N -0.149 119.618 119.800 -0.055 0.000 2.301 384 Q HA 0.573 4.913 4.340 -0.000 0.000 0.267 384 Q C 0.238 176.148 176.000 -0.151 0.000 1.035 384 Q CA -0.799 54.946 55.803 -0.095 0.000 0.856 384 Q CB 2.533 31.206 28.738 -0.108 0.000 1.337 384 Q HN 0.191 nan 8.270 nan 0.000 0.450 385 V N 0.058 119.882 119.914 -0.151 0.000 2.383 385 V HA 0.488 4.608 4.120 -0.000 0.000 0.275 385 V C -0.230 175.698 176.094 -0.276 0.000 1.036 385 V CA -0.749 61.439 62.300 -0.187 0.000 0.889 385 V CB 0.724 32.482 31.823 -0.109 0.000 0.985 385 V HN 0.437 nan 8.190 nan 0.000 0.459 386 I N 4.039 124.327 120.570 -0.470 0.000 2.354 386 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 386 I C 0.157 176.040 176.117 -0.391 0.000 0.989 386 I CA -0.771 60.182 61.300 -0.578 0.000 1.188 386 I CB 1.178 38.440 38.000 -1.229 0.000 1.342 386 I HN 0.896 nan 8.210 nan 0.000 0.457 387 E N 5.997 126.048 120.200 -0.249 0.000 2.145 387 E HA 0.482 4.832 4.350 -0.000 0.000 0.270 387 E C -1.310 175.150 176.600 -0.234 0.000 0.906 387 E CA -0.617 55.679 56.400 -0.173 0.000 0.761 387 E CB 1.295 30.952 29.700 -0.072 0.000 1.116 387 E HN 0.287 nan 8.360 nan 0.000 0.408 388 I N 3.754 124.079 120.570 -0.408 0.000 2.378 388 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 388 I C -0.172 175.639 176.117 -0.510 0.000 0.992 388 I CA -0.699 60.282 61.300 -0.532 0.000 1.154 388 I CB 1.146 38.568 38.000 -0.964 0.000 1.315 388 I HN 0.455 nan 8.210 nan 0.000 0.448 389 S N 7.137 122.665 115.700 -0.287 0.000 2.473 389 S HA 0.789 5.259 4.470 -0.000 0.000 0.307 389 S C -0.591 173.888 174.600 -0.202 0.000 1.094 389 S CA -0.747 57.331 58.200 -0.203 0.000 1.070 389 S CB 1.852 64.999 63.200 -0.088 0.000 1.019 389 S HN 0.388 nan 8.310 nan 0.000 0.480 390 I N 1.368 121.810 120.570 -0.213 0.000 2.495 390 I HA 0.338 4.508 4.170 -0.000 0.000 0.277 390 I C -2.905 173.120 176.117 -0.154 0.000 1.045 390 I CA -2.417 58.738 61.300 -0.242 0.000 1.135 390 I CB 1.223 38.947 38.000 -0.460 0.000 1.241 390 I HN 0.292 nan 8.210 nan 0.000 0.469 391 P HA -0.100 nan 4.420 nan 0.000 0.249 391 P C 0.962 178.247 177.300 -0.025 0.000 1.140 391 P CA 0.447 63.521 63.100 -0.042 0.000 0.803 391 P CB 0.224 31.910 31.700 -0.024 0.000 0.745 392 G N 4.425 113.220 108.800 -0.008 0.000 2.384 392 G HA2 0.029 3.989 3.960 -0.000 0.000 0.289 392 G HA3 0.029 3.989 3.960 -0.000 0.000 0.289 392 G C 1.312 176.255 174.900 0.072 0.000 0.823 392 G CA 0.215 45.331 45.100 0.026 0.000 1.740 392 G HN 0.575 nan 8.290 nan 0.000 0.422 393 G N 2.289 111.157 108.800 0.114 0.000 2.609 393 G HA2 0.317 4.277 3.960 -0.000 0.000 0.167 393 G HA3 0.317 4.277 3.960 -0.000 0.000 0.167 393 G C 1.051 176.093 174.900 0.236 0.000 1.668 393 G CA 0.603 45.823 45.100 0.200 0.000 0.886 393 G HN 1.211 nan 8.290 nan 0.000 0.378 394 G N -0.995 108.014 108.800 0.348 0.000 4.951 394 G HA2 0.407 4.367 3.960 -0.000 0.000 0.282 394 G HA3 0.407 4.367 3.960 -0.000 0.000 0.282 394 G C 0.181 175.072 174.900 -0.015 0.000 1.301 394 G CA 0.204 45.386 45.100 0.137 0.000 0.975 394 G HN 0.466 nan 8.290 nan 0.000 0.589 395 N N 0.562 119.304 118.700 0.069 0.000 2.937 395 N HA -0.129 4.611 4.740 -0.000 0.000 0.248 395 N C -0.358 175.172 175.510 0.033 0.000 1.069 395 N CA 0.375 53.455 53.050 0.050 0.000 0.822 395 N CB -1.508 37.038 38.487 0.098 0.000 1.122 395 N HN 0.643 nan 8.380 nan 0.000 0.554 396 H N 1.035 120.208 119.070 0.172 0.000 2.929 396 H HA 0.125 4.681 4.556 -0.000 0.000 0.317 396 H C -1.987 173.458 175.328 0.195 0.000 1.031 396 H CA -0.560 55.623 56.048 0.225 0.000 1.466 396 H CB 0.390 30.360 29.762 0.346 0.000 1.482 396 H HN 0.109 nan 8.280 nan 0.000 0.561 397 P HA 0.090 nan 4.420 nan 0.000 0.266 397 P C -0.493 176.953 177.300 0.244 0.000 1.586 397 P CA -0.218 62.984 63.100 0.172 0.000 1.088 397 P CB -0.501 31.318 31.700 0.199 0.000 1.584 398 F N 3.128 123.167 119.950 0.147 0.000 2.443 398 F HA 0.266 4.793 4.527 -0.000 0.000 0.353 398 F C 1.303 177.242 175.800 0.231 0.000 1.101 398 F CA 0.644 58.735 58.000 0.152 0.000 1.226 398 F CB 0.528 39.599 39.000 0.118 0.000 1.140 398 F HN 0.387 nan 8.300 nan 0.000 0.557 399 H N 4.049 123.176 119.070 0.095 0.000 2.689 399 H HA 0.518 5.074 4.556 -0.000 0.000 0.346 399 H C -1.760 173.591 175.328 0.038 0.000 1.037 399 H CA -1.137 54.963 56.048 0.087 0.000 1.234 399 H CB 1.394 31.211 29.762 0.090 0.000 1.572 399 H HN 0.546 nan 8.280 nan 0.000 0.524 400 L N 5.696 126.791 121.223 -0.214 0.000 2.295 400 L HA 0.390 4.730 4.340 -0.000 0.000 0.285 400 L C -0.719 175.892 176.870 -0.431 0.000 1.035 400 L CA -0.145 54.576 54.840 -0.198 0.000 0.806 400 L CB 0.691 42.738 42.059 -0.020 0.000 1.214 400 L HN 0.772 nan 8.230 nan 0.000 0.426 401 H N 3.365 122.217 119.070 -0.364 0.000 2.546 401 H HA 0.345 4.900 4.556 -0.000 0.000 0.365 401 H C 0.946 176.001 175.328 -0.454 0.000 1.220 401 H CA 0.119 56.008 56.048 -0.265 0.000 1.386 401 H CB 1.201 31.003 29.762 0.067 0.000 1.510 401 H HN 0.974 nan 8.280 nan 0.000 0.591 402 G N 0.822 109.162 108.800 -0.767 0.000 2.220 402 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.269 402 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.269 402 G C 0.103 174.322 174.900 -1.135 0.000 0.977 402 G CA 0.570 44.634 45.100 -1.728 0.000 0.634 402 G HN 0.804 nan 8.290 nan 0.000 0.539 403 H N -0.585 118.239 119.070 -0.410 0.000 3.017 403 H HA 0.394 4.950 4.556 -0.000 0.000 0.346 403 H C -0.188 175.079 175.328 -0.101 0.000 1.286 403 H CA -0.193 55.648 56.048 -0.346 0.000 1.120 403 H CB 1.339 30.857 29.762 -0.408 0.000 1.860 403 H HN 0.352 nan 8.280 nan 0.000 0.542 404 N N 0.482 119.245 118.700 0.105 0.000 2.741 404 N HA 0.513 5.253 4.740 -0.000 0.000 0.310 404 N C -0.800 174.675 175.510 -0.058 0.000 1.295 404 N CA -0.639 52.323 53.050 -0.147 0.000 0.893 404 N CB 1.163 39.613 38.487 -0.062 0.000 1.247 404 N HN 0.394 nan 8.380 nan 0.000 0.596 405 F N -3.307 116.651 119.950 0.014 0.000 2.668 405 F HA 0.544 5.071 4.527 -0.000 0.000 0.309 405 F C -1.656 174.214 175.800 0.117 0.000 1.117 405 F CA -1.480 56.566 58.000 0.076 0.000 0.951 405 F CB 0.622 39.567 39.000 -0.092 0.000 1.323 405 F HN 0.200 nan 8.300 nan 0.000 0.451 406 D N 1.339 122.024 120.400 0.474 0.000 2.313 406 D HA 0.461 5.101 4.640 -0.000 0.000 0.239 406 D C -0.567 175.971 176.300 0.396 0.000 1.142 406 D CA -0.345 53.867 54.000 0.355 0.000 0.847 406 D CB 1.779 42.730 40.800 0.250 0.000 1.082 406 D HN 0.492 nan 8.370 nan 0.000 0.480 407 V N 3.594 123.720 119.914 0.354 0.000 2.326 407 V HA -0.011 4.109 4.120 -0.000 0.000 0.249 407 V C 1.287 177.445 176.094 0.107 0.000 1.114 407 V CA -0.218 62.239 62.300 0.262 0.000 1.028 407 V CB 0.724 32.702 31.823 0.259 0.000 1.170 407 V HN 0.497 nan 8.190 nan 0.000 0.494 408 V N 4.283 124.222 119.914 0.042 0.000 3.141 408 V HA 0.026 4.146 4.120 -0.000 0.000 0.265 408 V C 1.196 177.144 176.094 -0.243 0.000 1.126 408 V CA 1.185 63.398 62.300 -0.146 0.000 1.141 408 V CB -0.506 31.141 31.823 -0.294 0.000 0.743 408 V HN 0.881 nan 8.190 nan 0.000 0.492 409 R N 0.121 120.499 120.500 -0.203 0.000 2.539 409 R HA 0.311 4.651 4.340 -0.000 0.000 0.295 409 R C -0.686 175.523 176.300 -0.152 0.000 1.138 409 R CA -0.211 55.684 56.100 -0.342 0.000 0.936 409 R CB 1.207 31.098 30.300 -0.681 0.000 1.182 409 R HN 0.147 nan 8.270 nan 0.000 0.459 410 T N 6.286 120.780 114.554 -0.100 0.000 2.919 410 T HA 0.215 4.565 4.350 -0.000 0.000 0.302 410 T C -2.382 172.299 174.700 -0.031 0.000 1.031 410 T CA -0.897 61.190 62.100 -0.023 0.000 1.127 410 T CB 1.039 69.913 68.868 0.010 0.000 0.952 410 T HN 0.458 nan 8.240 nan 0.000 0.540 411 P HA 0.172 nan 4.420 nan 0.000 0.260 411 P C 0.699 178.010 177.300 0.019 0.000 1.185 411 P CA 0.584 63.688 63.100 0.007 0.000 0.763 411 P CB 0.003 31.715 31.700 0.020 0.000 0.776 412 G N 1.596 110.400 108.800 0.008 0.000 2.203 412 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.231 412 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.231 412 G C -0.107 174.790 174.900 -0.005 0.000 1.058 412 G CA 0.054 45.161 45.100 0.012 0.000 0.781 412 G HN 0.935 nan 8.290 nan 0.000 0.496 413 S N -1.209 114.471 115.700 -0.033 0.000 2.481 413 S HA 0.559 5.029 4.470 -0.000 0.000 0.262 413 S C 0.995 175.546 174.600 -0.081 0.000 1.061 413 S CA 0.732 58.907 58.200 -0.042 0.000 1.039 413 S CB 0.830 64.007 63.200 -0.039 0.000 1.170 413 S HN 0.908 nan 8.310 nan 0.000 0.437 414 S N 2.250 117.923 115.700 -0.044 0.000 2.584 414 S HA 0.010 4.480 4.470 -0.000 0.000 0.240 414 S C 0.992 175.579 174.600 -0.022 0.000 0.975 414 S CA 0.677 58.860 58.200 -0.029 0.000 0.949 414 S CB -0.648 62.565 63.200 0.023 0.000 0.761 414 S HN 0.807 nan 8.310 nan 0.000 0.536 415 V N 0.490 120.369 119.914 -0.059 0.000 2.834 415 V HA 0.326 4.446 4.120 -0.000 0.000 0.301 415 V C -0.408 175.594 176.094 -0.154 0.000 1.066 415 V CA -0.807 61.489 62.300 -0.006 0.000 1.052 415 V CB -0.158 31.662 31.823 -0.005 0.000 1.021 415 V HN 0.205 nan 8.190 nan 0.000 0.480 416 Y N 1.282 121.570 120.300 -0.020 0.000 2.393 416 Y HA 0.539 5.089 4.550 -0.000 0.000 0.341 416 Y C 0.238 176.051 175.900 -0.145 0.000 0.988 416 Y CA -0.923 57.103 58.100 -0.124 0.000 1.078 416 Y CB 1.689 40.089 38.460 -0.100 0.000 1.203 416 Y HN 0.663 nan 8.280 nan 0.000 0.453 417 N N 2.246 120.840 118.700 -0.176 0.000 2.531 417 N HA 0.193 4.933 4.740 -0.000 0.000 0.268 417 N C -1.027 174.357 175.510 -0.210 0.000 1.023 417 N CA -0.434 52.558 53.050 -0.097 0.000 0.896 417 N CB 0.359 38.825 38.487 -0.035 0.000 1.233 417 N HN 0.537 nan 8.380 nan 0.000 0.512 418 Y N 1.566 121.936 120.300 0.117 0.000 2.449 418 Y HA 0.198 4.748 4.550 -0.000 0.000 0.254 418 Y C 1.765 177.714 175.900 0.081 0.000 1.140 418 Y CA 0.016 58.176 58.100 0.100 0.000 1.272 418 Y CB 0.508 39.019 38.460 0.084 0.000 1.114 418 Y HN 0.311 nan 8.280 nan 0.000 0.525 419 V N 1.156 121.182 119.914 0.187 0.000 2.249 419 V HA -0.186 3.934 4.120 -0.000 0.000 0.239 419 V C 0.460 176.617 176.094 0.105 0.000 1.038 419 V CA 1.961 64.341 62.300 0.133 0.000 1.005 419 V CB -0.285 31.602 31.823 0.106 0.000 0.646 419 V HN 0.578 nan 8.190 nan 0.000 0.455 420 N N -0.801 117.953 118.700 0.090 0.000 2.646 420 N HA 0.222 4.962 4.740 -0.000 0.000 0.296 420 N C -2.935 172.629 175.510 0.090 0.000 1.886 420 N CA -1.395 51.704 53.050 0.082 0.000 0.855 420 N CB 0.037 38.566 38.487 0.072 0.000 1.336 420 N HN 0.276 nan 8.380 nan 0.000 0.496 421 P HA -0.004 nan 4.420 nan 0.000 0.267 421 P C 0.361 177.760 177.300 0.165 0.000 1.200 421 P CA -0.153 63.010 63.100 0.105 0.000 0.772 421 P CB 0.928 32.683 31.700 0.092 0.000 0.855 422 V N 2.419 122.459 119.914 0.210 0.000 2.790 422 V HA -0.086 4.034 4.120 -0.000 0.000 0.304 422 V C 1.094 177.363 176.094 0.292 0.000 1.142 422 V CA 0.574 63.072 62.300 0.330 0.000 1.282 422 V CB -0.963 30.988 31.823 0.214 0.000 0.877 422 V HN 0.587 nan 8.190 nan 0.000 0.504 423 R N 4.509 125.214 120.500 0.341 0.000 2.534 423 R HA 0.716 5.056 4.340 -0.000 0.000 0.301 423 R C -0.036 176.338 176.300 0.124 0.000 0.961 423 R CA -0.721 55.495 56.100 0.193 0.000 0.871 423 R CB 1.480 31.857 30.300 0.128 0.000 1.170 423 R HN 1.036 nan 8.270 nan 0.000 0.446 424 R N 0.973 121.400 120.500 -0.121 0.000 3.380 424 R HA 0.333 4.673 4.340 -0.000 0.000 0.260 424 R C -0.925 174.989 176.300 -0.644 0.000 1.074 424 R CA -0.618 55.330 56.100 -0.254 0.000 0.924 424 R CB 0.155 30.357 30.300 -0.163 0.000 1.514 424 R HN 0.520 nan 8.270 nan 0.000 0.417 425 D N -0.941 119.167 120.400 -0.485 0.000 2.516 425 D HA 0.207 4.847 4.640 -0.000 0.000 0.241 425 D C -0.644 175.650 176.300 -0.009 0.000 1.246 425 D CA -0.110 53.568 54.000 -0.537 0.000 0.808 425 D CB 0.979 41.705 40.800 -0.122 0.000 1.147 425 D HN 0.135 nan 8.370 nan 0.000 0.527 426 V N 0.924 120.886 119.914 0.081 0.000 2.525 426 V HA 0.627 4.747 4.120 -0.000 0.000 0.299 426 V C -1.058 175.184 176.094 0.246 0.000 1.034 426 V CA -0.968 61.489 62.300 0.261 0.000 0.863 426 V CB 2.242 34.159 31.823 0.156 0.000 0.999 426 V HN 0.055 nan 8.190 nan 0.000 0.423 427 V N 4.094 124.192 119.914 0.308 0.000 2.733 427 V HA 0.549 4.669 4.120 -0.000 0.000 0.306 427 V C 0.079 176.206 176.094 0.054 0.000 1.084 427 V CA -0.236 62.175 62.300 0.184 0.000 0.905 427 V CB 2.606 34.578 31.823 0.249 0.000 1.010 427 V HN 0.938 nan 8.190 nan 0.000 0.424 428 S N 5.638 121.199 115.700 -0.231 0.000 2.531 428 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 428 S C 0.913 175.437 174.600 -0.126 0.000 1.305 428 S CA -0.354 57.595 58.200 -0.419 0.000 1.058 428 S CB 0.399 62.854 63.200 -1.242 0.000 0.899 428 S HN 0.598 nan 8.310 nan 0.000 0.493 429 I N 4.504 125.074 120.570 0.000 0.000 3.684 429 I HA 0.185 4.355 4.170 -0.000 0.000 0.304 429 I C 1.695 177.827 176.117 0.024 0.000 1.278 429 I CA 0.298 61.612 61.300 0.022 0.000 1.272 429 I CB -1.433 36.594 38.000 0.045 0.000 1.029 429 I HN 0.976 nan 8.210 nan 0.000 0.458 430 G N 1.612 110.415 108.800 0.005 0.000 2.582 430 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.288 430 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.288 430 G C 0.128 175.072 174.900 0.074 0.000 1.247 430 G CA -0.180 44.945 45.100 0.041 0.000 0.972 430 G HN 0.735 nan 8.290 nan 0.000 0.557 431 G N -2.530 106.310 108.800 0.068 0.000 2.667 431 G HA2 0.698 4.658 3.960 -0.000 0.000 0.294 431 G HA3 0.698 4.658 3.960 -0.000 0.000 0.294 431 G C 0.581 175.517 174.900 0.061 0.000 1.467 431 G CA 1.007 46.155 45.100 0.080 0.000 0.852 431 G HN 2.506 nan 8.290 nan 0.000 0.521 432 G N -0.906 107.930 108.800 0.060 0.000 2.121 432 G HA2 0.340 4.300 3.960 -0.000 0.000 0.237 432 G HA3 0.340 4.300 3.960 -0.000 0.000 0.237 432 G C 1.301 176.223 174.900 0.038 0.000 0.628 432 G CA 1.871 47.000 45.100 0.048 0.000 1.062 432 G HN 2.506 nan 8.290 nan 0.000 0.350 433 G N 1.017 109.836 108.800 0.032 0.000 3.211 433 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.202 433 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.202 433 G C 0.056 174.967 174.900 0.018 0.000 1.035 433 G CA 0.290 45.405 45.100 0.025 0.000 0.846 433 G HN 0.674 nan 8.290 nan 0.000 0.464 434 D N 0.924 121.333 120.400 0.016 0.000 2.304 434 D HA 0.489 5.129 4.640 -0.000 0.000 0.247 434 D C -0.553 175.743 176.300 -0.006 0.000 1.089 434 D CA 0.138 54.139 54.000 0.001 0.000 0.910 434 D CB 1.305 42.107 40.800 0.004 0.000 1.199 434 D HN 0.126 nan 8.370 nan 0.000 0.426 435 N N 1.544 120.229 118.700 -0.024 0.000 2.727 435 N HA 0.123 4.863 4.740 -0.000 0.000 0.252 435 N C -1.414 174.062 175.510 -0.058 0.000 1.283 435 N CA -0.325 52.710 53.050 -0.025 0.000 0.782 435 N CB 0.684 39.181 38.487 0.017 0.000 1.199 435 N HN -0.004 nan 8.380 nan 0.000 0.520 436 V N 1.949 121.824 119.914 -0.065 0.000 2.521 436 V HA 0.310 4.430 4.120 -0.000 0.000 0.286 436 V C 0.420 176.461 176.094 -0.088 0.000 1.034 436 V CA 0.342 62.603 62.300 -0.066 0.000 1.045 436 V CB 0.903 32.705 31.823 -0.034 0.000 0.974 436 V HN 0.470 nan 8.190 nan 0.000 0.480 437 T N 6.046 120.557 114.554 -0.072 0.000 2.893 437 T HA 0.781 5.131 4.350 -0.000 0.000 0.293 437 T C -0.690 174.003 174.700 -0.013 0.000 1.027 437 T CA -0.341 61.693 62.100 -0.110 0.000 0.988 437 T CB 1.526 70.400 68.868 0.009 0.000 1.043 437 T HN 0.522 nan 8.240 nan 0.000 0.461 438 F N -0.615 119.287 119.950 -0.080 0.000 2.650 438 F HA 0.867 5.394 4.527 -0.000 0.000 0.320 438 F C -0.900 174.944 175.800 0.074 0.000 1.091 438 F CA -1.510 56.466 58.000 -0.040 0.000 0.962 438 F CB 1.559 40.385 39.000 -0.290 0.000 1.363 438 F HN 0.277 nan 8.300 nan 0.000 0.482 439 R N 1.271 122.053 120.500 0.471 0.000 2.621 439 R HA 0.651 4.991 4.340 -0.000 0.000 0.284 439 R C -1.843 174.751 176.300 0.490 0.000 0.998 439 R CA -0.633 55.663 56.100 0.327 0.000 0.895 439 R CB 2.551 32.977 30.300 0.210 0.000 1.195 439 R HN 0.809 nan 8.270 nan 0.000 0.450 440 F N -1.255 118.771 119.950 0.126 0.000 2.726 440 F HA 0.759 5.286 4.527 -0.000 0.000 0.324 440 F C -1.042 174.722 175.800 -0.061 0.000 1.140 440 F CA -1.412 56.611 58.000 0.038 0.000 0.964 440 F CB 0.798 39.772 39.000 -0.043 0.000 1.399 440 F HN 0.049 nan 8.300 nan 0.000 0.491 441 V N 0.367 120.299 119.914 0.030 0.000 2.487 441 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 441 V C 0.115 176.230 176.094 0.036 0.000 1.028 441 V CA -0.552 61.718 62.300 -0.050 0.000 0.860 441 V CB 1.311 33.142 31.823 0.014 0.000 0.991 441 V HN 0.967 nan 8.190 nan 0.000 0.427 442 T N -0.618 113.920 114.554 -0.026 0.000 4.647 442 T HA 0.055 4.405 4.350 -0.000 0.000 0.224 442 T C 0.379 175.183 174.700 0.174 0.000 0.928 442 T CA -0.136 62.031 62.100 0.112 0.000 0.969 442 T CB -0.897 67.982 68.868 0.018 0.000 1.425 442 T HN 0.818 nan 8.240 nan 0.000 1.045 443 D N -0.202 120.331 120.400 0.221 0.000 2.427 443 D HA 0.107 4.747 4.640 -0.000 0.000 0.224 443 D C 0.091 176.464 176.300 0.122 0.000 1.157 443 D CA -0.585 53.491 54.000 0.128 0.000 0.828 443 D CB -0.037 40.803 40.800 0.066 0.000 0.974 443 D HN 0.361 nan 8.370 nan 0.000 0.498 444 N N 1.064 119.887 118.700 0.205 0.000 2.675 444 N HA 0.247 4.987 4.740 -0.000 0.000 0.254 444 N C -3.007 172.761 175.510 0.429 0.000 1.224 444 N CA -1.689 51.505 53.050 0.239 0.000 0.777 444 N CB 1.492 39.983 38.487 0.007 0.000 1.256 444 N HN -0.164 nan 8.380 nan 0.000 0.531 445 P HA 0.301 nan 4.420 nan 0.000 0.266 445 P C -0.190 177.166 177.300 0.094 0.000 1.215 445 P CA 0.281 63.479 63.100 0.163 0.000 0.763 445 P CB 0.574 32.320 31.700 0.078 0.000 0.806 446 G N 3.980 112.732 108.800 -0.080 0.000 2.429 446 G HA2 0.330 4.290 3.960 -0.000 0.000 0.300 446 G HA3 0.330 4.290 3.960 -0.000 0.000 0.300 446 G C -3.477 170.920 174.900 -0.838 0.000 1.598 446 G CA -0.887 43.803 45.100 -0.683 0.000 0.863 446 G HN 0.151 nan 8.290 nan 0.000 0.614 447 P HA 0.328 nan 4.420 nan 0.000 0.286 447 P C -1.063 175.915 177.300 -0.537 0.000 1.321 447 P CA -0.085 62.745 63.100 -0.450 0.000 0.790 447 P CB 0.111 31.625 31.700 -0.310 0.000 0.897 448 W N 3.740 125.109 121.300 0.114 0.000 2.471 448 W HA 0.350 5.010 4.660 -0.000 0.000 0.318 448 W C 0.121 176.724 176.519 0.140 0.000 1.034 448 W CA -1.053 56.370 57.345 0.130 0.000 1.224 448 W CB 1.088 30.708 29.460 0.268 0.000 1.335 448 W HN 0.233 nan 8.180 nan 0.000 0.452 449 F N 3.643 123.613 119.950 0.033 0.000 2.553 449 F HA 0.240 4.767 4.527 -0.000 0.000 0.356 449 F C 0.005 175.771 175.800 -0.056 0.000 1.142 449 F CA -0.591 57.309 58.000 -0.167 0.000 1.322 449 F CB 0.430 39.115 39.000 -0.525 0.000 1.126 449 F HN 0.108 nan 8.300 nan 0.000 0.599 450 L N 5.459 126.757 121.223 0.126 0.000 2.446 450 L HA 0.405 4.744 4.340 -0.000 0.000 0.268 450 L C -1.413 175.379 176.870 -0.130 0.000 0.975 450 L CA -0.203 54.645 54.840 0.013 0.000 0.848 450 L CB 1.143 43.314 42.059 0.187 0.000 1.225 450 L HN 0.778 nan 8.230 nan 0.000 0.410 451 H N 1.324 120.207 119.070 -0.311 0.000 3.016 451 H HA 0.437 4.993 4.556 -0.000 0.000 0.362 451 H C -0.785 174.041 175.328 -0.837 0.000 1.233 451 H CA -1.079 54.588 56.048 -0.635 0.000 1.124 451 H CB 0.883 30.155 29.762 -0.817 0.000 1.850 451 H HN 0.612 nan 8.280 nan 0.000 0.549 452 C N 2.750 121.422 119.300 -1.047 0.000 2.590 452 C HA -0.024 4.436 4.460 -0.000 0.000 0.411 452 C C 1.535 176.455 174.990 -0.117 0.000 1.420 452 C CA 0.137 58.727 59.018 -0.714 0.000 1.643 452 C CB -1.251 26.219 27.740 -0.451 0.000 2.528 452 C HN 0.989 nan 8.230 nan 0.000 0.606 453 H N 4.159 123.243 119.070 0.024 0.000 2.556 453 H HA 0.188 4.744 4.556 -0.000 0.000 0.268 453 H C 0.760 176.169 175.328 0.135 0.000 0.996 453 H CA 0.544 56.708 56.048 0.193 0.000 1.157 453 H CB 0.012 29.917 29.762 0.238 0.000 1.355 453 H HN 0.681 nan 8.280 nan 0.000 0.597 454 I N 1.760 122.425 120.570 0.158 0.000 2.471 454 I HA -0.128 4.041 4.170 -0.000 0.000 0.294 454 I C 1.465 177.485 176.117 -0.163 0.000 1.123 454 I CA 0.018 61.323 61.300 0.008 0.000 1.336 454 I CB 0.486 38.353 38.000 -0.221 0.000 1.430 454 I HN 0.028 nan 8.210 nan 0.000 0.533 455 D N 5.123 125.353 120.400 -0.283 0.000 2.190 455 D HA -0.218 4.422 4.640 -0.000 0.000 0.200 455 D C 1.604 177.580 176.300 -0.540 0.000 0.992 455 D CA 1.837 55.516 54.000 -0.536 0.000 0.854 455 D CB 0.106 40.306 40.800 -1.001 0.000 0.936 455 D HN 0.571 nan 8.370 nan 0.000 0.462 456 W N -0.875 120.276 121.300 -0.249 0.000 2.800 456 W HA 0.092 4.752 4.660 -0.000 0.000 0.249 456 W C 2.204 178.732 176.519 0.015 0.000 1.294 456 W CA 0.309 57.541 57.345 -0.188 0.000 1.402 456 W CB -0.353 28.934 29.460 -0.288 0.000 1.126 456 W HN 0.232 nan 8.180 nan 0.000 0.652 457 H N -0.777 118.328 119.070 0.058 0.000 2.486 457 H HA -0.003 4.553 4.556 -0.000 0.000 0.287 457 H C 2.069 177.365 175.328 -0.053 0.000 1.010 457 H CA 0.789 56.868 56.048 0.053 0.000 1.324 457 H CB 0.110 29.789 29.762 -0.139 0.000 1.446 457 H HN 0.043 nan 8.280 nan 0.000 0.537 458 L N 1.454 122.645 121.223 -0.054 0.000 2.056 458 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 458 L C 2.135 178.959 176.870 -0.077 0.000 1.078 458 L CA 1.656 56.373 54.840 -0.205 0.000 0.749 458 L CB -0.141 41.632 42.059 -0.478 0.000 0.901 458 L HN 0.046 nan 8.230 nan 0.000 0.433 459 E N 0.190 120.363 120.200 -0.045 0.000 2.265 459 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 459 E C 1.851 178.521 176.600 0.117 0.000 0.996 459 E CA 1.195 57.612 56.400 0.028 0.000 0.832 459 E CB -0.215 29.494 29.700 0.015 0.000 0.756 459 E HN 0.607 nan 8.360 nan 0.000 0.491 460 A N -1.066 121.863 122.820 0.183 0.000 2.251 460 A HA 0.431 4.751 4.320 -0.000 0.000 0.209 460 A C 1.635 179.365 177.584 0.244 0.000 1.187 460 A CA 0.737 52.911 52.037 0.228 0.000 0.823 460 A CB -0.218 18.990 19.000 0.347 0.000 0.846 460 A HN 0.423 nan 8.150 nan 0.000 0.486 461 G N -1.704 107.230 108.800 0.224 0.000 2.168 461 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.197 461 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.197 461 G C 0.004 175.038 174.900 0.223 0.000 0.997 461 G CA 0.034 45.289 45.100 0.258 0.000 0.658 461 G HN 0.728 nan 8.290 nan 0.000 0.513 462 L N 1.460 122.739 121.223 0.094 0.000 2.395 462 L HA 0.774 5.114 4.340 -0.000 0.000 0.268 462 L C 0.442 177.218 176.870 -0.157 0.000 1.223 462 L CA 0.309 55.087 54.840 -0.104 0.000 1.093 462 L CB -0.677 41.063 42.059 -0.531 0.000 1.349 462 L HN 1.288 nan 8.230 nan 0.000 0.427 463 A N 3.066 125.871 122.820 -0.026 0.000 2.590 463 A HA 0.709 5.029 4.320 -0.000 0.000 0.294 463 A C -1.442 176.178 177.584 0.060 0.000 1.046 463 A CA -0.119 51.832 52.037 -0.144 0.000 0.684 463 A CB 1.114 19.769 19.000 -0.575 0.000 1.279 463 A HN 0.968 nan 8.150 nan 0.000 0.415 464 V N -1.372 118.553 119.914 0.018 0.000 2.971 464 V HA 0.888 5.008 4.120 -0.000 0.000 0.309 464 V C -0.924 175.172 176.094 0.003 0.000 1.130 464 V CA -0.854 61.479 62.300 0.055 0.000 0.964 464 V CB 1.565 33.321 31.823 -0.111 0.000 1.029 464 V HN 1.179 nan 8.190 nan 0.000 0.427 465 V N 3.929 123.871 119.914 0.047 0.000 2.347 465 V HA 0.477 4.596 4.120 -0.000 0.000 0.280 465 V C -0.576 175.529 176.094 0.019 0.000 1.021 465 V CA -0.154 62.170 62.300 0.040 0.000 0.847 465 V CB 0.945 32.817 31.823 0.081 0.000 0.990 465 V HN 0.727 nan 8.190 nan 0.000 0.444 466 F N 3.688 123.767 119.950 0.215 0.000 2.404 466 F HA 0.527 5.054 4.527 -0.000 0.000 0.359 466 F C 0.860 176.758 175.800 0.164 0.000 1.134 466 F CA -0.960 57.180 58.000 0.233 0.000 1.160 466 F CB 0.923 40.128 39.000 0.343 0.000 1.186 466 F HN 0.540 nan 8.300 nan 0.000 0.526 467 A N 4.213 127.219 122.820 0.310 0.000 2.621 467 A HA 0.282 4.602 4.320 -0.000 0.000 0.329 467 A C 0.232 177.915 177.584 0.165 0.000 1.458 467 A CA -0.507 51.619 52.037 0.149 0.000 1.052 467 A CB -0.307 18.743 19.000 0.084 0.000 1.142 467 A HN 0.698 nan 8.150 nan 0.000 0.523 468 E N 2.895 123.205 120.200 0.183 0.000 2.174 468 E HA 0.222 4.572 4.350 -0.000 0.000 0.282 468 E C -0.761 175.925 176.600 0.143 0.000 0.992 468 E CA -0.462 56.069 56.400 0.219 0.000 0.803 468 E CB 0.490 30.446 29.700 0.426 0.000 1.090 468 E HN 0.611 nan 8.360 nan 0.000 0.396 469 D N 4.475 124.940 120.400 0.108 0.000 2.812 469 D HA -0.216 4.423 4.640 -0.000 0.000 0.237 469 D C 0.794 177.120 176.300 0.044 0.000 1.162 469 D CA 0.549 54.593 54.000 0.073 0.000 0.740 469 D CB -0.881 39.971 40.800 0.088 0.000 1.000 469 D HN 0.645 nan 8.370 nan 0.000 0.416 470 I N 0.583 121.174 120.570 0.036 0.000 2.118 470 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 470 I C -0.476 175.645 176.117 0.006 0.000 1.070 470 I CA 1.243 62.551 61.300 0.014 0.000 1.327 470 I CB -1.050 36.962 38.000 0.019 0.000 1.034 470 I HN 0.279 nan 8.210 nan 0.000 0.405 471 P HA -0.171 nan 4.420 nan 0.000 0.217 471 P C 0.928 178.230 177.300 0.003 0.000 1.151 471 P CA 1.580 64.683 63.100 0.006 0.000 0.849 471 P CB -0.201 31.505 31.700 0.010 0.000 0.787 472 N N -1.300 117.404 118.700 0.008 0.000 2.412 472 N HA 0.083 4.823 4.740 -0.000 0.000 0.184 472 N C 1.571 177.077 175.510 -0.006 0.000 1.101 472 N CA 0.236 53.291 53.050 0.007 0.000 0.881 472 N CB -0.047 38.455 38.487 0.024 0.000 0.969 472 N HN 0.206 nan 8.380 nan 0.000 0.459 473 I N 2.199 122.755 120.570 -0.023 0.000 2.202 473 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 473 I C -0.578 175.493 176.117 -0.075 0.000 1.091 473 I CA 1.168 62.434 61.300 -0.058 0.000 1.368 473 I CB -1.049 36.898 38.000 -0.087 0.000 1.058 473 I HN 0.041 nan 8.210 nan 0.000 0.410 474 P HA -0.125 nan 4.420 nan 0.000 0.220 474 P C 1.767 179.036 177.300 -0.052 0.000 1.148 474 P CA 1.622 64.680 63.100 -0.070 0.000 0.803 474 P CB 0.018 31.690 31.700 -0.047 0.000 0.782 475 I N 0.131 120.682 120.570 -0.033 0.000 2.277 475 I HA -0.113 4.057 4.170 -0.000 0.000 0.243 475 I C 2.670 178.777 176.117 -0.017 0.000 1.094 475 I CA 1.222 62.511 61.300 -0.020 0.000 1.393 475 I CB -0.969 37.026 38.000 -0.009 0.000 1.078 475 I HN -0.126 nan 8.210 nan 0.000 0.417 476 A N 0.715 123.527 122.820 -0.013 0.000 1.933 476 A HA -0.114 4.205 4.320 -0.000 0.000 0.218 476 A C 0.731 178.308 177.584 -0.012 0.000 1.175 476 A CA 1.305 53.342 52.037 -0.001 0.000 0.628 476 A CB -0.845 18.165 19.000 0.017 0.000 0.814 476 A HN 0.477 nan 8.150 nan 0.000 0.444 477 N N -0.633 118.039 118.700 -0.046 0.000 2.408 477 N HA 0.559 5.299 4.740 -0.000 0.000 0.280 477 N C -0.804 174.654 175.510 -0.086 0.000 1.002 477 N CA 0.301 53.305 53.050 -0.077 0.000 0.907 477 N CB 1.677 40.079 38.487 -0.141 0.000 1.161 477 N HN 0.288 nan 8.380 nan 0.000 0.488 478 A N 2.902 125.682 122.820 -0.067 0.000 2.253 478 A HA 0.445 4.765 4.320 -0.000 0.000 0.316 478 A C -0.379 177.168 177.584 -0.062 0.000 1.327 478 A CA -0.559 51.447 52.037 -0.051 0.000 0.917 478 A CB 0.002 18.987 19.000 -0.024 0.000 1.162 478 A HN 0.690 nan 8.150 nan 0.000 0.535 479 I N 2.909 123.439 120.570 -0.067 0.000 2.307 479 I HA 0.110 4.280 4.170 -0.000 0.000 0.287 479 I C 0.822 176.972 176.117 0.055 0.000 1.054 479 I CA -0.099 61.166 61.300 -0.058 0.000 1.218 479 I CB 1.113 39.024 38.000 -0.147 0.000 1.398 479 I HN 0.624 nan 8.210 nan 0.000 0.475 480 S N 8.229 123.980 115.700 0.085 0.000 2.571 480 S HA 0.002 4.472 4.470 -0.000 0.000 0.298 480 S C -1.106 173.603 174.600 0.182 0.000 1.280 480 S CA -0.687 57.582 58.200 0.114 0.000 1.052 480 S CB 0.718 63.980 63.200 0.103 0.000 0.799 480 S HN 0.433 nan 8.310 nan 0.000 0.501 481 P HA -0.077 nan 4.420 nan 0.000 0.218 481 P C 1.114 178.519 177.300 0.174 0.000 1.148 481 P CA 1.361 64.542 63.100 0.136 0.000 0.822 481 P CB -0.064 31.686 31.700 0.083 0.000 0.784 482 A N -1.509 121.422 122.820 0.185 0.000 1.972 482 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 482 A C 2.185 180.015 177.584 0.410 0.000 1.169 482 A CA 1.189 53.371 52.037 0.242 0.000 0.635 482 A CB -1.892 17.207 19.000 0.164 0.000 0.810 482 A HN 0.249 nan 8.150 nan 0.000 0.446 483 W N 1.129 122.614 121.300 0.307 0.000 2.363 483 W HA -0.143 4.517 4.660 -0.000 0.000 0.296 483 W C 1.191 177.733 176.519 0.039 0.000 1.212 483 W CA 1.654 59.106 57.345 0.179 0.000 1.260 483 W CB 0.070 29.609 29.460 0.132 0.000 1.131 483 W HN 0.344 nan 8.180 nan 0.000 0.530 484 D N 0.127 120.700 120.400 0.289 0.000 2.263 484 D HA -0.142 4.497 4.640 -0.000 0.000 0.208 484 D C 0.774 177.036 176.300 -0.064 0.000 0.971 484 D CA 1.482 55.572 54.000 0.150 0.000 0.867 484 D CB -0.293 40.622 40.800 0.192 0.000 0.929 484 D HN 0.354 nan 8.370 nan 0.000 0.492 485 D N -0.601 119.758 120.400 -0.069 0.000 2.440 485 D HA 0.070 4.710 4.640 -0.000 0.000 0.216 485 D C 2.036 178.253 176.300 -0.139 0.000 1.150 485 D CA -0.112 53.842 54.000 -0.076 0.000 0.832 485 D CB -0.240 40.555 40.800 -0.009 0.000 0.992 485 D HN 0.190 nan 8.370 nan 0.000 0.502 486 L N 0.070 121.112 121.223 -0.302 0.000 1.989 486 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 486 L C 2.227 178.964 176.870 -0.222 0.000 1.071 486 L CA 1.412 56.050 54.840 -0.337 0.000 0.749 486 L CB -0.932 40.737 42.059 -0.650 0.000 0.890 486 L HN 0.119 nan 8.230 nan 0.000 0.431 487 C N -0.474 118.651 119.300 -0.293 0.000 2.462 487 C HA -0.052 4.407 4.460 -0.000 0.000 0.278 487 C C 0.424 175.411 174.990 -0.004 0.000 1.253 487 C CA 0.484 59.430 59.018 -0.120 0.000 1.713 487 C CB -1.848 25.796 27.740 -0.160 0.000 2.049 487 C HN 0.362 nan 8.230 nan 0.000 0.477 488 P HA -0.145 nan 4.420 nan 0.000 0.217 488 P C 1.407 178.716 177.300 0.014 0.000 1.148 488 P CA 1.646 64.745 63.100 -0.003 0.000 0.828 488 P CB -0.165 31.527 31.700 -0.013 0.000 0.783 489 K N -2.564 117.846 120.400 0.017 0.000 2.262 489 K HA -0.065 4.255 4.320 -0.000 0.000 0.200 489 K C 2.064 178.695 176.600 0.052 0.000 1.049 489 K CA 0.481 56.783 56.287 0.026 0.000 0.979 489 K CB -0.295 32.217 32.500 0.020 0.000 0.773 489 K HN 0.117 nan 8.250 nan 0.000 0.474 490 Y N 1.884 122.160 120.300 -0.040 0.000 2.153 490 Y HA -0.089 4.461 4.550 -0.000 0.000 0.289 490 Y C 1.660 177.561 175.900 0.000 0.000 1.127 490 Y CA 1.412 59.503 58.100 -0.015 0.000 1.131 490 Y CB -0.092 38.360 38.460 -0.014 0.000 0.995 490 Y HN 0.010 nan 8.280 nan 0.000 0.505 491 N N 0.355 119.109 118.700 0.090 0.000 2.609 491 N HA -0.067 4.673 4.740 -0.000 0.000 0.190 491 N C 1.134 176.601 175.510 -0.071 0.000 1.157 491 N CA 0.919 53.971 53.050 0.003 0.000 0.918 491 N CB -0.035 38.493 38.487 0.069 0.000 0.978 491 N HN 0.526 nan 8.380 nan 0.000 0.448 492 A N -0.355 122.420 122.820 -0.076 0.000 2.303 492 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 492 A C 1.674 179.206 177.584 -0.087 0.000 1.205 492 A CA -0.246 51.753 52.037 -0.063 0.000 0.875 492 A CB 0.139 19.121 19.000 -0.031 0.000 0.910 492 A HN 0.050 nan 8.150 nan 0.000 0.501 493 N N 0.870 119.482 118.700 -0.146 0.000 2.029 493 N HA -0.220 4.520 4.740 -0.000 0.000 0.176 493 N C 0.323 175.776 175.510 -0.095 0.000 0.930 493 N CA 1.992 54.949 53.050 -0.155 0.000 0.884 493 N CB -0.395 37.922 38.487 -0.284 0.000 1.015 493 N HN 0.653 nan 8.380 nan 0.000 0.848 494 N N 0.000 118.641 118.700 -0.099 0.000 1.763 494 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 494 N CA 0.000 53.013 53.050 -0.062 0.000 0.885 494 N CB 0.000 38.464 38.487 -0.039 0.000 1.341 494 N HN 0.000 nan 8.380 nan 0.000 0.667