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 2pyx_1_B DATA FIRST_RESID 0 DATA SEQUENCE GXXQKPITEI IIVGGGTAGW ITAGLLAAEH NVDKGVLAHS PKLNITLIES DATA SEQUENCE PDVATIGVGE GTWPSXRSTL SKIGIDENDF IRQCDASFKQ GSRFINWCKD DATA SEQUENCE PQSNVADSYL HPFSLPHGHQ ELDLCPYWLP HAEQVSFAEA VCSQQVLTQL DATA SEQUENCE GLAPKSIVTA QYHFQNNYGY HLNAAKFSQL LTEHCTQKLG VTHIRDHVSQ DATA SEQUENCE IINNQHGDIE KLITKQNGEI SGQLFIDCTG AKSLLLGEHL QVPFLSQKSV DATA SEQUENCE LFNDRALAIQ VPYSDANSPI ASCTHSTAQP NGWIWDIGLP TRKGVGYVYS DATA SEQUENCE SSHTNDIDAQ KTLFNYLGVD GAAADKLEPR QLAINPGYRA KCWQNNCIAI DATA SEQUENCE GXAAGFIEPL EASALALIEW TASTLAQQLP PNRXVXDTIS ARVNERYQQH DATA SEQUENCE WQQIIDFLKL HYVISQRQED RYWRDHRESN SIPDSLQAXL ELWRYQTPSQ DATA SEQUENCE QDISYKEALF PAASFQYVLY GXSFNTQLPT HVKPSXQQLA QRLFNDNQQR DATA SEQUENCE TQALSKNLPT NRELLDKVAQ YGFPKL 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 0 G C 0.000 174.913 174.900 0.021 0.000 0.946 0 G CA 0.000 45.110 45.100 0.016 0.000 0.502 4 K N 2.618 123.027 120.400 0.014 0.000 2.447 4 K HA 0.173 4.493 4.320 -0.001 0.000 0.281 4 K C -2.314 174.291 176.600 0.008 0.000 1.031 4 K CA -1.474 54.821 56.287 0.012 0.000 1.019 4 K CB 0.429 32.939 32.500 0.017 0.000 0.918 4 K HN -0.166 nan 8.250 nan 0.000 0.476 5 P HA -0.054 nan 4.420 nan 0.000 0.266 5 P C -0.594 176.698 177.300 -0.014 0.000 1.195 5 P CA 0.286 63.382 63.100 -0.006 0.000 0.768 5 P CB 0.365 32.059 31.700 -0.010 0.000 0.838 6 I N 2.808 123.365 120.570 -0.021 0.000 2.347 6 I HA 0.063 4.232 4.170 -0.001 0.000 0.294 6 I C 1.263 177.335 176.117 -0.074 0.000 1.090 6 I CA 0.392 61.670 61.300 -0.036 0.000 1.314 6 I CB 0.189 38.178 38.000 -0.018 0.000 1.423 6 I HN 0.481 nan 8.210 nan 0.000 0.503 7 T N 0.516 115.026 114.554 -0.073 0.000 2.966 7 T HA 0.169 4.519 4.350 -0.001 0.000 0.254 7 T C 0.533 175.172 174.700 -0.102 0.000 0.961 7 T CA -0.256 61.792 62.100 -0.088 0.000 0.915 7 T CB 0.404 69.237 68.868 -0.058 0.000 1.186 7 T HN 0.319 nan 8.240 nan 0.000 0.505 8 E N 2.561 122.697 120.200 -0.108 0.000 2.014 8 E HA 0.391 4.741 4.350 -0.001 0.000 0.275 8 E C -0.717 175.751 176.600 -0.220 0.000 0.997 8 E CA -0.460 55.858 56.400 -0.137 0.000 0.804 8 E CB 1.112 30.747 29.700 -0.109 0.000 1.090 8 E HN 0.440 nan 8.360 nan 0.000 0.401 9 I N 4.294 124.724 120.570 -0.232 0.000 2.362 9 I HA 0.344 4.514 4.170 -0.001 0.000 0.289 9 I C -0.047 175.870 176.117 -0.333 0.000 0.994 9 I CA -0.866 60.258 61.300 -0.295 0.000 1.158 9 I CB 0.975 38.841 38.000 -0.224 0.000 1.315 9 I HN 0.259 nan 8.210 nan 0.000 0.451 10 I N 7.200 127.477 120.570 -0.489 0.000 2.362 10 I HA 0.431 4.600 4.170 -0.001 0.000 0.289 10 I C 0.169 176.116 176.117 -0.284 0.000 0.994 10 I CA -0.610 60.447 61.300 -0.404 0.000 1.158 10 I CB 1.609 39.290 38.000 -0.533 0.000 1.315 10 I HN 0.354 nan 8.210 nan 0.000 0.451 11 I N 6.444 126.881 120.570 -0.221 0.000 2.321 11 I HA 0.305 4.474 4.170 -0.001 0.000 0.291 11 I C -0.176 175.847 176.117 -0.158 0.000 0.998 11 I CA -0.746 60.430 61.300 -0.206 0.000 1.227 11 I CB 1.718 39.545 38.000 -0.289 0.000 1.368 11 I HN 0.152 nan 8.210 nan 0.000 0.466 12 V N 5.938 125.795 119.914 -0.095 0.000 2.294 12 V HA 0.794 4.914 4.120 -0.001 0.000 0.272 12 V C 0.432 176.478 176.094 -0.081 0.000 1.027 12 V CA -0.404 61.862 62.300 -0.057 0.000 0.823 12 V CB 0.423 32.248 31.823 0.003 0.000 1.030 12 V HN 1.070 nan 8.190 nan 0.000 0.457 13 G N 3.381 112.119 108.800 -0.103 0.000 2.742 13 G HA2 0.339 4.299 3.960 -0.001 0.000 0.686 13 G HA3 0.339 4.299 3.960 -0.001 0.000 0.686 13 G C -0.057 174.730 174.900 -0.189 0.000 1.220 13 G CA -0.297 44.744 45.100 -0.099 0.000 0.783 13 G HN 1.023 nan 8.290 nan 0.000 0.646 14 G N -0.016 108.708 108.800 -0.127 0.000 3.365 14 G HA2 1.005 4.965 3.960 -0.001 0.000 0.185 14 G HA3 1.005 4.965 3.960 -0.001 0.000 0.185 14 G C 1.367 176.254 174.900 -0.022 0.000 1.565 14 G CA 1.185 46.171 45.100 -0.190 0.000 0.984 14 G HN 2.684 nan 8.290 nan 0.000 0.604 15 G N -1.575 107.341 108.800 0.193 0.000 2.697 15 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.240 15 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.240 15 G C 1.219 176.212 174.900 0.154 0.000 1.346 15 G CA 1.254 46.448 45.100 0.158 0.000 0.887 15 G HN 1.676 nan 8.290 nan 0.000 0.569 16 T N -2.018 112.583 114.554 0.079 0.000 2.821 16 T HA 0.202 4.551 4.350 -0.001 0.000 0.267 16 T C 2.696 177.407 174.700 0.018 0.000 1.046 16 T CA 2.750 64.860 62.100 0.017 0.000 1.139 16 T CB -0.554 68.361 68.868 0.078 0.000 0.871 16 T HN 2.034 nan 8.240 nan 0.000 0.454 17 A N 2.054 124.891 122.820 0.028 0.000 1.865 17 A HA 0.201 4.520 4.320 -0.001 0.000 0.217 17 A C 2.751 180.293 177.584 -0.071 0.000 1.191 17 A CA 1.848 53.888 52.037 0.005 0.000 0.623 17 A CB -1.646 17.365 19.000 0.018 0.000 0.826 17 A HN 0.614 nan 8.150 nan 0.000 0.444 18 G N -2.018 106.695 108.800 -0.144 0.000 2.402 18 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 18 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 18 G C 1.426 176.083 174.900 -0.405 0.000 1.162 18 G CA 0.850 45.752 45.100 -0.331 0.000 0.777 18 G HN 0.657 nan 8.290 nan 0.000 0.539 19 W N 0.451 121.671 121.300 -0.134 0.000 2.453 19 W HA 0.252 4.912 4.660 -0.000 0.000 0.289 19 W C 2.474 178.901 176.519 -0.154 0.000 1.215 19 W CA -0.337 56.911 57.345 -0.161 0.000 1.297 19 W CB -0.058 29.277 29.460 -0.209 0.000 1.113 19 W HN 0.075 nan 8.180 nan 0.000 0.551 20 I N -0.049 120.536 120.570 0.025 0.000 2.226 20 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 20 I C 2.219 178.326 176.117 -0.016 0.000 1.100 20 I CA 1.457 62.752 61.300 -0.009 0.000 1.374 20 I CB -0.853 37.143 38.000 -0.008 0.000 1.057 20 I HN -0.077 nan 8.210 nan 0.000 0.413 21 T N 0.820 115.339 114.554 -0.058 0.000 2.708 21 T HA -0.183 4.166 4.350 -0.001 0.000 0.266 21 T C 2.088 176.738 174.700 -0.083 0.000 1.037 21 T CA 1.541 63.587 62.100 -0.090 0.000 1.146 21 T CB -0.376 68.410 68.868 -0.135 0.000 0.865 21 T HN 0.484 nan 8.240 nan 0.000 0.435 22 A N 1.419 124.178 122.820 -0.102 0.000 1.883 22 A HA 0.073 4.393 4.320 -0.001 0.000 0.217 22 A C 2.639 180.241 177.584 0.030 0.000 1.186 22 A CA 1.973 53.968 52.037 -0.069 0.000 0.624 22 A CB -1.405 17.522 19.000 -0.122 0.000 0.822 22 A HN 0.522 nan 8.150 nan 0.000 0.444 23 G N -0.433 108.418 108.800 0.085 0.000 2.402 23 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.216 23 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.216 23 G C 1.572 176.506 174.900 0.057 0.000 1.162 23 G CA 0.976 46.140 45.100 0.106 0.000 0.777 23 G HN 0.422 nan 8.290 nan 0.000 0.539 24 L N -0.169 121.067 121.223 0.022 0.000 2.056 24 L HA 0.038 4.378 4.340 -0.001 0.000 0.207 24 L C 2.915 179.794 176.870 0.014 0.000 1.078 24 L CA 0.446 55.286 54.840 0.001 0.000 0.749 24 L CB -0.366 41.678 42.059 -0.025 0.000 0.901 24 L HN 0.181 nan 8.230 nan 0.000 0.433 25 L N -0.428 120.806 121.223 0.018 0.000 1.994 25 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 25 L C 2.886 179.818 176.870 0.103 0.000 1.071 25 L CA 1.373 56.255 54.840 0.069 0.000 0.745 25 L CB -0.706 41.352 42.059 -0.003 0.000 0.892 25 L HN 0.251 nan 8.230 nan 0.000 0.431 26 A N -0.166 122.686 122.820 0.054 0.000 1.877 26 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 26 A C 2.497 180.108 177.584 0.044 0.000 1.186 26 A CA 1.783 53.850 52.037 0.051 0.000 0.620 26 A CB -0.791 18.233 19.000 0.039 0.000 0.822 26 A HN 0.421 nan 8.150 nan 0.000 0.443 27 A N -0.395 122.446 122.820 0.035 0.000 1.933 27 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 27 A C 1.975 179.539 177.584 -0.034 0.000 1.175 27 A CA 2.157 54.202 52.037 0.014 0.000 0.628 27 A CB -0.434 18.582 19.000 0.026 0.000 0.814 27 A HN 0.563 nan 8.150 nan 0.000 0.444 28 E N -0.773 119.387 120.200 -0.066 0.000 2.107 28 E HA -0.155 4.195 4.350 -0.001 0.000 0.191 28 E C 1.732 178.108 176.600 -0.374 0.000 0.982 28 E CA 1.569 57.835 56.400 -0.223 0.000 0.809 28 E CB -0.216 29.317 29.700 -0.278 0.000 0.756 28 E HN 0.744 nan 8.360 nan 0.000 0.459 29 H N -1.591 117.469 119.070 -0.018 0.000 2.681 29 H HA 0.272 4.827 4.556 -0.000 0.000 0.268 29 H C 0.733 176.051 175.328 -0.017 0.000 0.967 29 H CA 0.528 56.566 56.048 -0.017 0.000 1.233 29 H CB 0.600 30.349 29.762 -0.022 0.000 1.445 29 H HN 0.109 nan 8.280 nan 0.000 0.494 30 N N 0.377 119.122 118.700 0.077 0.000 2.197 30 N HA 0.099 4.839 4.740 -0.001 0.000 0.201 30 N C -0.287 175.223 175.510 0.000 0.000 1.148 30 N CA 0.216 53.288 53.050 0.037 0.000 0.883 30 N CB 2.067 40.572 38.487 0.030 0.000 1.012 30 N HN -0.074 nan 8.380 nan 0.000 0.507 31 V N 0.640 120.550 119.914 -0.008 0.000 2.638 31 V HA 0.372 4.491 4.120 -0.001 0.000 0.306 31 V C -1.165 174.917 176.094 -0.020 0.000 1.052 31 V CA -0.929 61.360 62.300 -0.018 0.000 0.885 31 V CB 2.528 34.346 31.823 -0.008 0.000 0.999 31 V HN -0.111 nan 8.190 nan 0.000 0.424 32 D N 3.849 124.236 120.400 -0.021 0.000 2.696 32 D HA 0.442 5.081 4.640 -0.001 0.000 0.251 32 D C -0.013 176.282 176.300 -0.009 0.000 1.188 32 D CA -0.430 53.561 54.000 -0.016 0.000 0.876 32 D CB 1.027 41.818 40.800 -0.015 0.000 1.334 32 D HN 0.395 nan 8.370 nan 0.000 0.540 33 K N 3.027 123.426 120.400 -0.001 0.000 3.077 33 K HA -0.158 4.162 4.320 -0.001 0.000 0.264 33 K C 0.893 177.501 176.600 0.013 0.000 1.008 33 K CA 0.996 57.289 56.287 0.009 0.000 0.740 33 K CB -1.871 30.634 32.500 0.008 0.000 1.273 33 K HN 1.042 nan 8.250 nan 0.000 0.477 34 G N -1.826 106.984 108.800 0.016 0.000 2.184 34 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.264 34 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.264 34 G C 0.172 175.071 174.900 -0.002 0.000 0.975 34 G CA 0.271 45.384 45.100 0.022 0.000 0.642 34 G HN 0.312 nan 8.290 nan 0.000 0.536 35 V N 1.487 121.389 119.914 -0.019 0.000 2.394 35 V HA 0.643 4.763 4.120 -0.001 0.000 0.282 35 V C 0.537 176.589 176.094 -0.070 0.000 1.031 35 V CA -0.828 61.443 62.300 -0.048 0.000 0.881 35 V CB 1.628 33.421 31.823 -0.051 0.000 0.982 35 V HN 0.440 nan 8.190 nan 0.000 0.451 36 L N 5.337 126.503 121.223 -0.096 0.000 2.367 36 L HA 0.636 4.976 4.340 -0.001 0.000 0.275 36 L C 0.766 177.533 176.870 -0.171 0.000 1.129 36 L CA 0.424 55.202 54.840 -0.104 0.000 0.839 36 L CB 0.701 42.705 42.059 -0.091 0.000 1.133 36 L HN 0.807 nan 8.230 nan 0.000 0.453 37 A N 4.021 126.772 122.820 -0.114 0.000 2.498 37 A HA 0.126 4.445 4.320 -0.001 0.000 0.239 37 A C 1.026 178.534 177.584 -0.126 0.000 1.068 37 A CA 0.029 51.999 52.037 -0.113 0.000 0.766 37 A CB -0.093 18.889 19.000 -0.030 0.000 1.003 37 A HN 0.927 nan 8.150 nan 0.000 0.497 38 H N 0.970 120.044 119.070 0.007 0.000 2.389 38 H HA -0.019 4.536 4.556 -0.001 0.000 0.299 38 H C 0.644 175.975 175.328 0.005 0.000 1.081 38 H CA 1.907 57.958 56.048 0.005 0.000 1.345 38 H CB 0.259 30.024 29.762 0.005 0.000 1.393 38 H HN 0.514 nan 8.280 nan 0.000 0.520 39 S N 2.270 118.038 115.700 0.113 0.000 2.269 39 S HA 0.248 4.718 4.470 -0.001 0.000 0.194 39 S C -2.416 172.206 174.600 0.038 0.000 1.547 39 S CA -1.323 56.916 58.200 0.064 0.000 1.186 39 S CB 0.435 63.668 63.200 0.055 0.000 1.069 39 S HN 0.104 nan 8.310 nan 0.000 0.473 40 P HA 0.269 nan 4.420 nan 0.000 0.276 40 P C 0.584 177.894 177.300 0.016 0.000 1.252 40 P CA -0.580 62.531 63.100 0.018 0.000 0.802 40 P CB 1.057 32.763 31.700 0.010 0.000 1.035 41 K N 0.519 120.933 120.400 0.023 0.000 2.025 41 K HA -0.011 4.309 4.320 -0.001 0.000 0.207 41 K C 0.498 177.086 176.600 -0.021 0.000 1.049 41 K CA 0.943 57.237 56.287 0.011 0.000 0.933 41 K CB -0.150 32.372 32.500 0.037 0.000 0.714 41 K HN 0.416 nan 8.250 nan 0.000 0.438 42 L N 2.140 123.348 121.223 -0.024 0.000 2.322 42 L HA 0.265 4.604 4.340 -0.001 0.000 0.279 42 L C -0.714 176.130 176.870 -0.045 0.000 1.036 42 L CA -0.963 53.841 54.840 -0.060 0.000 0.807 42 L CB 1.542 43.552 42.059 -0.082 0.000 1.226 42 L HN 0.101 nan 8.230 nan 0.000 0.433 43 N N 4.350 123.013 118.700 -0.061 0.000 2.558 43 N HA 0.453 5.192 4.740 -0.001 0.000 0.242 43 N C -0.822 174.639 175.510 -0.081 0.000 0.979 43 N CA -0.186 52.832 53.050 -0.054 0.000 0.931 43 N CB 1.700 40.158 38.487 -0.047 0.000 1.122 43 N HN 0.436 nan 8.380 nan 0.000 0.508 44 I N 1.346 121.874 120.570 -0.071 0.000 2.321 44 I HA 0.256 4.426 4.170 -0.001 0.000 0.291 44 I C 0.128 176.193 176.117 -0.087 0.000 0.998 44 I CA -0.232 61.009 61.300 -0.098 0.000 1.227 44 I CB 1.380 39.329 38.000 -0.085 0.000 1.368 44 I HN 0.107 nan 8.210 nan 0.000 0.466 45 T N 7.236 121.718 114.554 -0.119 0.000 2.824 45 T HA 0.498 4.848 4.350 -0.001 0.000 0.282 45 T C -0.623 173.991 174.700 -0.145 0.000 0.993 45 T CA -0.444 61.600 62.100 -0.094 0.000 0.967 45 T CB 1.644 70.467 68.868 -0.074 0.000 0.960 45 T HN 0.349 nan 8.240 nan 0.000 0.441 46 L N 4.695 125.827 121.223 -0.152 0.000 2.313 46 L HA 0.661 5.001 4.340 -0.001 0.000 0.283 46 L C -1.180 175.644 176.870 -0.076 0.000 1.013 46 L CA -0.873 53.814 54.840 -0.255 0.000 0.816 46 L CB 0.583 42.247 42.059 -0.658 0.000 1.236 46 L HN 0.643 nan 8.230 nan 0.000 0.419 47 I N 4.718 125.242 120.570 -0.077 0.000 2.330 47 I HA 0.353 4.523 4.170 -0.001 0.000 0.289 47 I C -0.272 175.833 176.117 -0.020 0.000 1.001 47 I CA -0.360 60.931 61.300 -0.015 0.000 1.193 47 I CB 1.609 39.597 38.000 -0.020 0.000 1.345 47 I HN 0.610 nan 8.210 nan 0.000 0.461 48 E N 4.665 124.895 120.200 0.049 0.000 2.179 48 E HA 0.316 4.666 4.350 -0.001 0.000 0.275 48 E C -0.544 176.048 176.600 -0.014 0.000 0.945 48 E CA -0.536 55.900 56.400 0.060 0.000 0.792 48 E CB 1.616 31.466 29.700 0.251 0.000 1.125 48 E HN 0.560 nan 8.360 nan 0.000 0.397 49 S N 4.068 119.745 115.700 -0.039 0.000 2.549 49 S HA 0.181 4.651 4.470 -0.001 0.000 0.279 49 S C -1.810 172.713 174.600 -0.128 0.000 1.321 49 S CA -1.267 56.861 58.200 -0.119 0.000 1.054 49 S CB 0.833 63.998 63.200 -0.058 0.000 0.899 49 S HN 0.443 nan 8.310 nan 0.000 0.497 50 P HA 0.068 nan 4.420 nan 0.000 0.230 50 P C -0.396 176.886 177.300 -0.029 0.000 1.158 50 P CA 0.382 63.393 63.100 -0.148 0.000 0.769 50 P CB -0.058 31.513 31.700 -0.215 0.000 0.807 51 D N -0.324 120.075 120.400 -0.001 0.000 2.419 51 D HA -0.006 4.633 4.640 -0.001 0.000 0.236 51 D C 0.284 176.606 176.300 0.038 0.000 1.165 51 D CA 0.174 54.206 54.000 0.054 0.000 0.882 51 D CB 0.533 41.372 40.800 0.066 0.000 1.201 51 D HN -0.155 nan 8.370 nan 0.000 0.443 52 V N 1.762 121.702 119.914 0.042 0.000 2.479 52 V HA 0.284 4.404 4.120 -0.001 0.000 0.281 52 V C 0.864 176.979 176.094 0.037 0.000 1.031 52 V CA -0.604 61.719 62.300 0.038 0.000 1.038 52 V CB 0.559 32.404 31.823 0.037 0.000 0.981 52 V HN 0.641 nan 8.190 nan 0.000 0.478 53 A N 4.627 127.470 122.820 0.039 0.000 2.425 53 A HA 0.436 4.756 4.320 -0.001 0.000 0.242 53 A C 0.772 178.378 177.584 0.037 0.000 1.077 53 A CA -0.185 51.875 52.037 0.038 0.000 0.781 53 A CB -0.065 18.963 19.000 0.047 0.000 1.020 53 A HN 0.819 nan 8.150 nan 0.000 0.494 54 T N 0.587 115.160 114.554 0.032 0.000 2.940 54 T HA 0.366 4.716 4.350 -0.001 0.000 0.309 54 T C 0.532 175.261 174.700 0.048 0.000 1.056 54 T CA 0.929 63.051 62.100 0.036 0.000 1.137 54 T CB 0.051 68.935 68.868 0.027 0.000 0.976 54 T HN 1.125 nan 8.240 nan 0.000 0.547 55 I N 1.460 122.064 120.570 0.056 0.000 2.353 55 I HA 0.820 4.990 4.170 -0.001 0.000 0.293 55 I C 0.914 177.081 176.117 0.084 0.000 0.992 55 I CA -0.971 60.368 61.300 0.065 0.000 1.268 55 I CB 0.457 38.493 38.000 0.060 0.000 1.387 55 I HN 0.899 nan 8.210 nan 0.000 0.478 56 G N 1.810 110.665 108.800 0.093 0.000 2.535 56 G HA2 0.589 4.549 3.960 -0.001 0.000 0.303 56 G HA3 0.589 4.549 3.960 -0.001 0.000 0.303 56 G C 0.579 175.558 174.900 0.131 0.000 1.237 56 G CA 0.548 45.721 45.100 0.121 0.000 0.986 56 G HN 2.069 nan 8.290 nan 0.000 0.494 57 V N -3.204 116.816 119.914 0.176 0.000 3.166 57 V HA 0.687 4.807 4.120 -0.001 0.000 0.332 57 V C 0.552 176.746 176.094 0.166 0.000 1.434 57 V CA 0.187 62.590 62.300 0.172 0.000 1.121 57 V CB -0.349 31.601 31.823 0.212 0.000 1.062 57 V HN 2.067 nan 8.190 nan 0.000 0.489 58 G N 0.001 108.885 108.800 0.139 0.000 2.627 58 G HA2 0.242 4.202 3.960 -0.001 0.000 0.680 58 G HA3 0.242 4.202 3.960 -0.001 0.000 0.680 58 G C -1.211 173.740 174.900 0.084 0.000 1.341 58 G CA -0.157 45.010 45.100 0.110 0.000 0.835 58 G HN 0.650 nan 8.290 nan 0.000 0.643 59 E N -0.481 119.781 120.200 0.103 0.000 2.408 59 E HA 0.722 5.071 4.350 -0.001 0.000 0.275 59 E C 0.318 177.033 176.600 0.192 0.000 0.935 59 E CA -0.478 55.982 56.400 0.101 0.000 0.775 59 E CB 2.017 31.799 29.700 0.137 0.000 1.277 59 E HN 1.130 nan 8.360 nan 0.000 0.455 60 G N 0.300 109.222 108.800 0.204 0.000 2.454 60 G HA2 0.592 4.551 3.960 -0.001 0.000 0.329 60 G HA3 0.592 4.551 3.960 -0.001 0.000 0.329 60 G C -0.614 174.431 174.900 0.241 0.000 1.177 60 G CA -0.200 45.062 45.100 0.269 0.000 0.951 60 G HN 0.455 nan 8.290 nan 0.000 0.485 61 T N -2.335 112.347 114.554 0.213 0.000 2.907 61 T HA 0.632 4.982 4.350 -0.001 0.000 0.290 61 T C -1.047 173.699 174.700 0.077 0.000 1.066 61 T CA -0.843 61.388 62.100 0.219 0.000 1.012 61 T CB 1.624 70.630 68.868 0.229 0.000 1.184 61 T HN 0.457 nan 8.240 nan 0.000 0.522 62 W N 0.683 121.931 121.300 -0.087 0.000 2.298 62 W HA 0.465 5.125 4.660 -0.000 0.000 0.358 62 W C -1.706 174.477 176.519 -0.560 0.000 1.241 62 W CA -1.796 55.280 57.345 -0.448 0.000 1.385 62 W CB 0.500 29.771 29.460 -0.315 0.000 1.225 62 W HN 0.518 nan 8.180 nan 0.000 0.654 63 P HA -0.143 nan 4.420 nan 0.000 0.221 63 P C 0.510 177.637 177.300 -0.288 0.000 1.145 63 P CA 1.288 64.065 63.100 -0.539 0.000 0.795 63 P CB -0.117 31.226 31.700 -0.595 0.000 0.775 67 S N 0.755 116.298 115.700 -0.261 0.000 2.368 67 S HA -0.087 4.383 4.470 -0.001 0.000 0.224 67 S C 1.640 176.108 174.600 -0.220 0.000 1.029 67 S CA 1.932 59.992 58.200 -0.233 0.000 0.988 67 S CB -0.128 62.987 63.200 -0.141 0.000 0.838 67 S HN 0.288 nan 8.310 nan 0.000 0.462 68 T N 3.184 117.639 114.554 -0.165 0.000 2.684 68 T HA -0.028 4.321 4.350 -0.001 0.000 0.267 68 T C 1.767 176.369 174.700 -0.165 0.000 1.036 68 T CA 1.133 63.164 62.100 -0.115 0.000 1.148 68 T CB -0.538 68.307 68.868 -0.038 0.000 0.863 68 T HN 0.237 nan 8.240 nan 0.000 0.436 69 L N 0.721 121.783 121.223 -0.269 0.000 2.042 69 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 69 L C 2.886 179.531 176.870 -0.375 0.000 1.076 69 L CA 1.253 55.895 54.840 -0.330 0.000 0.749 69 L CB -0.634 41.142 42.059 -0.472 0.000 0.893 69 L HN 0.277 nan 8.230 nan 0.000 0.432 70 S N -0.194 115.154 115.700 -0.587 0.000 2.356 70 S HA -0.196 4.274 4.470 -0.001 0.000 0.223 70 S C 2.017 176.519 174.600 -0.163 0.000 1.032 70 S CA 1.390 59.352 58.200 -0.397 0.000 1.005 70 S CB -0.020 62.923 63.200 -0.428 0.000 0.867 70 S HN 0.320 nan 8.310 nan 0.000 0.449 71 K N 0.401 120.712 120.400 -0.149 0.000 2.097 71 K HA 0.026 4.346 4.320 -0.001 0.000 0.206 71 K C 2.020 178.600 176.600 -0.032 0.000 1.049 71 K CA 1.531 57.773 56.287 -0.075 0.000 0.933 71 K CB -0.302 32.154 32.500 -0.073 0.000 0.717 71 K HN 0.442 nan 8.250 nan 0.000 0.442 72 I N -0.222 120.323 120.570 -0.041 0.000 2.315 72 I HA -0.145 4.025 4.170 -0.001 0.000 0.248 72 I C 1.296 177.464 176.117 0.085 0.000 1.117 72 I CA 1.251 62.563 61.300 0.021 0.000 1.404 72 I CB -0.099 37.891 38.000 -0.016 0.000 1.071 72 I HN 0.483 nan 8.210 nan 0.000 0.419 73 G N 0.787 109.578 108.800 -0.016 0.000 2.148 73 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.157 73 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.157 73 G C 0.093 174.960 174.900 -0.055 0.000 1.012 73 G CA -0.680 44.452 45.100 0.052 0.000 0.677 73 G HN 0.079 nan 8.290 nan 0.000 0.506 74 I N 1.724 122.192 120.570 -0.169 0.000 2.474 74 I HA 0.296 4.466 4.170 -0.001 0.000 0.287 74 I C 0.344 176.553 176.117 0.153 0.000 1.048 74 I CA -1.027 60.208 61.300 -0.107 0.000 1.383 74 I CB 1.188 39.135 38.000 -0.088 0.000 1.412 74 I HN 0.212 nan 8.210 nan 0.000 0.531 75 D N 5.059 125.553 120.400 0.157 0.000 2.308 75 D HA 0.008 4.647 4.640 -0.001 0.000 0.251 75 D C 0.841 177.253 176.300 0.187 0.000 1.127 75 D CA -0.095 54.015 54.000 0.184 0.000 0.876 75 D CB 1.435 42.316 40.800 0.135 0.000 1.176 75 D HN 0.650 nan 8.370 nan 0.000 0.446 76 E N 3.084 123.307 120.200 0.038 0.000 2.110 76 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 76 E C 1.162 177.894 176.600 0.220 0.000 0.988 76 E CA 0.802 57.194 56.400 -0.013 0.000 0.804 76 E CB 0.250 29.662 29.700 -0.481 0.000 0.745 76 E HN 0.451 nan 8.360 nan 0.000 0.458 77 N N 1.261 120.084 118.700 0.206 0.000 2.084 77 N HA -0.157 4.583 4.740 -0.001 0.000 0.190 77 N C 1.363 176.931 175.510 0.096 0.000 1.030 77 N CA 1.408 54.550 53.050 0.154 0.000 0.849 77 N CB -0.433 38.118 38.487 0.106 0.000 1.012 77 N HN 0.231 nan 8.380 nan 0.000 0.423 78 D N 0.528 120.993 120.400 0.108 0.000 2.104 78 D HA -0.154 4.485 4.640 -0.001 0.000 0.194 78 D C 1.764 178.117 176.300 0.089 0.000 0.994 78 D CA 0.591 54.643 54.000 0.086 0.000 0.830 78 D CB -0.597 40.265 40.800 0.102 0.000 0.959 78 D HN 0.203 nan 8.370 nan 0.000 0.452 79 F N 1.409 121.352 119.950 -0.012 0.000 2.069 79 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 79 F C 2.220 177.943 175.800 -0.128 0.000 1.113 79 F CA 1.268 59.221 58.000 -0.079 0.000 1.214 79 F CB -0.427 38.497 39.000 -0.125 0.000 0.978 79 F HN -0.124 nan 8.300 nan 0.000 0.474 80 I N 0.138 120.580 120.570 -0.213 0.000 2.226 80 I HA -0.292 3.878 4.170 -0.001 0.000 0.245 80 I C 2.540 178.496 176.117 -0.269 0.000 1.100 80 I CA 1.457 62.555 61.300 -0.336 0.000 1.374 80 I CB -0.479 37.471 38.000 -0.082 0.000 1.057 80 I HN 0.097 nan 8.210 nan 0.000 0.413 81 R N 0.255 120.666 120.500 -0.148 0.000 2.115 81 R HA -0.146 4.194 4.340 -0.001 0.000 0.230 81 R C 2.083 178.308 176.300 -0.124 0.000 1.111 81 R CA 1.194 57.225 56.100 -0.115 0.000 0.976 81 R CB -0.142 30.117 30.300 -0.067 0.000 0.870 81 R HN 0.495 nan 8.270 nan 0.000 0.445 82 Q N -1.419 118.297 119.800 -0.140 0.000 2.396 82 Q HA 0.075 4.415 4.340 -0.001 0.000 0.209 82 Q C 0.908 176.823 176.000 -0.142 0.000 0.906 82 Q CA 0.344 56.085 55.803 -0.104 0.000 0.927 82 Q CB 0.972 29.684 28.738 -0.043 0.000 1.069 82 Q HN 0.292 nan 8.270 nan 0.000 0.523 83 C N 1.328 120.454 119.300 -0.289 0.000 2.881 83 C HA 0.167 4.627 4.460 -0.001 0.000 0.290 83 C C -0.376 174.443 174.990 -0.286 0.000 1.362 83 C CA -0.691 58.141 59.018 -0.310 0.000 1.757 83 C CB -0.523 26.867 27.740 -0.583 0.000 2.265 83 C HN 0.430 nan 8.230 nan 0.000 0.600 84 D N 1.508 121.774 120.400 -0.224 0.000 2.708 84 D HA -0.162 4.478 4.640 -0.001 0.000 0.236 84 D C 0.364 176.557 176.300 -0.178 0.000 1.146 84 D CA 1.399 55.309 54.000 -0.150 0.000 0.662 84 D CB -0.951 39.804 40.800 -0.074 0.000 1.059 84 D HN 0.662 nan 8.370 nan 0.000 0.428 85 A N 0.099 122.732 122.820 -0.312 0.000 2.293 85 A HA 0.752 5.072 4.320 -0.001 0.000 0.302 85 A C 0.725 178.173 177.584 -0.227 0.000 1.119 85 A CA 0.232 52.081 52.037 -0.314 0.000 0.823 85 A CB 1.242 19.845 19.000 -0.663 0.000 1.097 85 A HN 0.335 nan 8.150 nan 0.000 0.491 86 S N -0.039 115.592 115.700 -0.115 0.000 2.704 86 S HA 0.826 5.295 4.470 -0.001 0.000 0.296 86 S C -0.846 173.636 174.600 -0.196 0.000 1.138 86 S CA -0.665 57.429 58.200 -0.178 0.000 0.875 86 S CB 0.736 63.980 63.200 0.073 0.000 1.151 86 S HN 0.405 nan 8.310 nan 0.000 0.500 87 F N 1.354 121.369 119.950 0.107 0.000 2.394 87 F HA 0.571 5.098 4.527 -0.000 0.000 0.340 87 F C 0.700 176.410 175.800 -0.151 0.000 1.105 87 F CA -0.424 57.562 58.000 -0.024 0.000 1.124 87 F CB 1.110 40.017 39.000 -0.155 0.000 1.145 87 F HN 0.584 nan 8.300 nan 0.000 0.505 88 K N 2.762 123.112 120.400 -0.084 0.000 2.358 88 K HA 0.306 4.626 4.320 -0.001 0.000 0.260 88 K C -0.223 176.328 176.600 -0.082 0.000 0.956 88 K CA -0.396 55.710 56.287 -0.302 0.000 0.834 88 K CB 1.092 33.250 32.500 -0.569 0.000 1.102 88 K HN 0.774 nan 8.250 nan 0.000 0.431 89 Q N 2.144 121.821 119.800 -0.203 0.000 2.219 89 Q HA 0.238 4.578 4.340 -0.001 0.000 0.209 89 Q C 0.145 175.706 176.000 -0.732 0.000 0.854 89 Q CA -0.092 55.566 55.803 -0.241 0.000 0.960 89 Q CB 1.367 30.012 28.738 -0.153 0.000 1.116 89 Q HN 0.971 nan 8.270 nan 0.000 0.500 90 G N -0.114 107.994 108.800 -1.153 0.000 2.332 90 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.265 90 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.265 90 G C -1.328 173.040 174.900 -0.886 0.000 1.329 90 G CA -0.843 43.359 45.100 -1.497 0.000 0.949 90 G HN -0.037 nan 8.290 nan 0.000 0.476 91 S N -0.339 114.903 115.700 -0.763 0.000 2.532 91 S HA 0.706 5.175 4.470 -0.001 0.000 0.299 91 S C -0.177 173.965 174.600 -0.763 0.000 1.105 91 S CA -0.630 57.156 58.200 -0.691 0.000 1.018 91 S CB 1.920 64.650 63.200 -0.784 0.000 1.021 91 S HN 0.720 nan 8.310 nan 0.000 0.483 92 R N 2.312 122.378 120.500 -0.724 0.000 2.338 92 R HA 0.480 4.820 4.340 -0.001 0.000 0.317 92 R C -1.700 174.086 176.300 -0.856 0.000 0.968 92 R CA -0.427 55.258 56.100 -0.693 0.000 0.849 92 R CB 0.429 30.374 30.300 -0.591 0.000 1.128 92 R HN 0.489 nan 8.270 nan 0.000 0.448 93 F N 5.739 125.310 119.950 -0.632 0.000 2.388 93 F HA 0.449 4.976 4.527 -0.001 0.000 0.358 93 F C 0.074 175.765 175.800 -0.181 0.000 1.122 93 F CA -0.553 57.120 58.000 -0.545 0.000 1.056 93 F CB 1.274 39.607 39.000 -1.111 0.000 1.155 93 F HN 0.277 nan 8.300 nan 0.000 0.461 94 I N 4.095 124.830 120.570 0.275 0.000 2.433 94 I HA 0.291 4.461 4.170 -0.001 0.000 0.292 94 I C -0.207 176.103 176.117 0.322 0.000 1.001 94 I CA -0.752 60.681 61.300 0.221 0.000 1.119 94 I CB 1.368 39.442 38.000 0.124 0.000 1.289 94 I HN 0.565 nan 8.210 nan 0.000 0.438 95 N N 3.575 122.399 118.700 0.206 0.000 2.741 95 N HA -0.231 4.509 4.740 -0.001 0.000 0.250 95 N C 0.141 175.643 175.510 -0.014 0.000 1.115 95 N CA 0.984 54.083 53.050 0.082 0.000 0.724 95 N CB -1.168 37.332 38.487 0.022 0.000 1.090 95 N HN 0.737 nan 8.380 nan 0.000 0.558 96 W N -0.312 120.975 121.300 -0.021 0.000 2.576 96 W HA 0.156 4.816 4.660 -0.001 0.000 0.270 96 W C 2.043 178.454 176.519 -0.181 0.000 1.255 96 W CA 0.600 57.881 57.345 -0.107 0.000 1.314 96 W CB -0.222 29.263 29.460 0.042 0.000 1.101 96 W HN 0.260 nan 8.180 nan 0.000 0.595 97 C N -0.717 118.655 119.300 0.119 0.000 2.507 97 C HA 0.149 4.609 4.460 -0.001 0.000 0.280 97 C C 0.911 175.888 174.990 -0.022 0.000 1.345 97 C CA 0.494 59.549 59.018 0.062 0.000 1.736 97 C CB -0.828 26.967 27.740 0.092 0.000 2.060 97 C HN -0.040 nan 8.230 nan 0.000 0.498 98 K N 0.548 120.911 120.400 -0.061 0.000 2.509 98 K HA 0.269 4.588 4.320 -0.001 0.000 0.266 98 K C -1.614 174.913 176.600 -0.122 0.000 0.987 98 K CA -0.751 55.495 56.287 -0.069 0.000 0.868 98 K CB 0.956 33.446 32.500 -0.017 0.000 1.421 98 K HN -0.031 nan 8.250 nan 0.000 0.444 99 D N 3.143 123.485 120.400 -0.097 0.000 2.487 99 D HA 0.036 4.675 4.640 -0.001 0.000 0.243 99 D C -2.284 173.982 176.300 -0.056 0.000 1.154 99 D CA -0.630 53.317 54.000 -0.088 0.000 0.876 99 D CB 0.358 41.136 40.800 -0.036 0.000 1.161 99 D HN 0.067 nan 8.370 nan 0.000 0.478 100 P HA 0.091 nan 4.420 nan 0.000 0.268 100 P C -0.867 176.427 177.300 -0.009 0.000 1.205 100 P CA 0.007 63.090 63.100 -0.028 0.000 0.771 100 P CB 0.574 32.260 31.700 -0.023 0.000 0.858 101 Q N 0.329 120.129 119.800 0.001 0.000 2.304 101 Q HA 0.271 4.611 4.340 -0.001 0.000 0.270 101 Q C 0.828 176.834 176.000 0.009 0.000 1.035 101 Q CA -0.486 55.321 55.803 0.006 0.000 0.781 101 Q CB 1.508 30.251 28.738 0.008 0.000 1.261 101 Q HN 0.384 nan 8.270 nan 0.000 0.444 102 S N 1.415 117.120 115.700 0.008 0.000 2.442 102 S HA -0.170 4.299 4.470 -0.001 0.000 0.236 102 S C 1.034 175.640 174.600 0.010 0.000 1.007 102 S CA 1.481 59.686 58.200 0.008 0.000 0.965 102 S CB -0.179 63.025 63.200 0.005 0.000 0.773 102 S HN 0.779 nan 8.310 nan 0.000 0.504 103 N N 0.808 119.514 118.700 0.010 0.000 2.280 103 N HA 0.089 4.829 4.740 -0.001 0.000 0.192 103 N C -0.272 175.247 175.510 0.015 0.000 1.109 103 N CA 0.015 53.072 53.050 0.011 0.000 0.855 103 N CB 0.321 38.814 38.487 0.010 0.000 0.974 103 N HN 0.360 nan 8.380 nan 0.000 0.482 104 V N 0.945 120.869 119.914 0.017 0.000 2.638 104 V HA 0.611 4.731 4.120 -0.001 0.000 0.306 104 V C -0.182 175.929 176.094 0.028 0.000 1.052 104 V CA -1.399 60.914 62.300 0.022 0.000 0.885 104 V CB 1.466 33.303 31.823 0.022 0.000 0.999 104 V HN 0.312 nan 8.190 nan 0.000 0.424 105 A N 2.842 125.682 122.820 0.033 0.000 2.409 105 A HA 0.571 4.890 4.320 -0.001 0.000 0.262 105 A C -0.214 177.403 177.584 0.055 0.000 1.113 105 A CA 0.061 52.122 52.037 0.040 0.000 0.790 105 A CB 0.195 19.217 19.000 0.037 0.000 1.046 105 A HN 0.839 nan 8.150 nan 0.000 0.496 106 D N 1.198 121.638 120.400 0.066 0.000 2.389 106 D HA 0.486 5.126 4.640 -0.001 0.000 0.256 106 D C -1.049 175.324 176.300 0.122 0.000 1.239 106 D CA 0.128 54.185 54.000 0.096 0.000 0.925 106 D CB 0.831 41.681 40.800 0.084 0.000 1.145 106 D HN 0.373 nan 8.370 nan 0.000 0.542 107 S N 3.231 119.011 115.700 0.132 0.000 2.543 107 S HA 0.659 5.129 4.470 -0.001 0.000 0.271 107 S C -1.736 172.961 174.600 0.162 0.000 1.148 107 S CA -0.730 57.529 58.200 0.098 0.000 0.914 107 S CB 0.447 63.655 63.200 0.014 0.000 1.096 107 S HN 0.370 nan 8.310 nan 0.000 0.471 108 Y N 2.335 122.660 120.300 0.040 0.000 2.615 108 Y HA 0.861 5.411 4.550 -0.001 0.000 0.341 108 Y C -1.823 174.081 175.900 0.006 0.000 1.089 108 Y CA -1.428 56.689 58.100 0.028 0.000 1.049 108 Y CB 0.822 39.310 38.460 0.046 0.000 1.296 108 Y HN 0.595 nan 8.280 nan 0.000 0.470 109 L N 2.895 124.142 121.223 0.040 0.000 2.329 109 L HA 0.459 4.798 4.340 -0.001 0.000 0.279 109 L C -1.015 175.873 176.870 0.031 0.000 1.014 109 L CA -0.534 54.231 54.840 -0.125 0.000 0.814 109 L CB 1.388 43.350 42.059 -0.162 0.000 1.257 109 L HN 0.937 nan 8.230 nan 0.000 0.424 110 H N 5.633 124.582 119.070 -0.200 0.000 2.690 110 H HA 0.483 5.039 4.556 -0.001 0.000 0.280 110 H C -2.524 172.512 175.328 -0.487 0.000 1.138 110 H CA -2.443 53.483 56.048 -0.203 0.000 1.241 110 H CB 1.079 30.905 29.762 0.107 0.000 1.394 110 H HN 0.467 nan 8.280 nan 0.000 0.489 111 P HA 0.031 nan 4.420 nan 0.000 0.279 111 P C 0.116 177.152 177.300 -0.439 0.000 1.252 111 P CA -0.437 62.305 63.100 -0.597 0.000 0.811 111 P CB 0.988 32.362 31.700 -0.543 0.000 1.035 112 F N -1.018 118.719 119.950 -0.354 0.000 2.367 112 F HA 0.025 4.552 4.527 -0.001 0.000 0.298 112 F C 1.390 177.117 175.800 -0.121 0.000 1.094 112 F CA 0.560 58.399 58.000 -0.267 0.000 1.409 112 F CB -0.906 37.889 39.000 -0.342 0.000 1.064 112 F HN 0.126 nan 8.300 nan 0.000 0.528 113 S N 1.561 117.293 115.700 0.054 0.000 2.549 113 S HA 0.214 4.683 4.470 -0.001 0.000 0.283 113 S C 0.269 174.981 174.600 0.186 0.000 1.320 113 S CA -0.416 57.831 58.200 0.079 0.000 1.058 113 S CB 0.248 63.486 63.200 0.062 0.000 0.882 113 S HN 0.012 nan 8.310 nan 0.000 0.498 114 L N 4.107 125.418 121.223 0.146 0.000 2.452 114 L HA 0.279 4.619 4.340 -0.001 0.000 0.267 114 L C -2.022 174.968 176.870 0.199 0.000 1.188 114 L CA -2.055 52.849 54.840 0.108 0.000 0.821 114 L CB -0.230 41.641 42.059 -0.313 0.000 1.102 114 L HN 0.356 nan 8.230 nan 0.000 0.470 115 P HA -0.077 nan 4.420 nan 0.000 0.265 115 P C -0.637 176.820 177.300 0.262 0.000 1.187 115 P CA 0.094 63.285 63.100 0.151 0.000 0.766 115 P CB 0.223 31.958 31.700 0.059 0.000 0.820 116 H N 2.329 121.465 119.070 0.110 0.000 3.001 116 H HA 0.259 4.814 4.556 -0.001 0.000 0.334 116 H C 1.631 176.985 175.328 0.043 0.000 1.034 116 H CA 1.945 58.047 56.048 0.090 0.000 1.420 116 H CB -0.325 29.464 29.762 0.046 0.000 1.405 116 H HN 0.741 nan 8.280 nan 0.000 0.593 117 G N 3.516 112.070 108.800 -0.411 0.000 2.153 117 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.252 117 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.252 117 G C 0.947 175.723 174.900 -0.206 0.000 0.994 117 G CA 1.200 46.082 45.100 -0.364 0.000 0.698 117 G HN 1.063 nan 8.290 nan 0.000 0.521 118 H N -1.776 117.253 119.070 -0.069 0.000 2.457 118 H HA 0.029 4.585 4.556 -0.001 0.000 0.297 118 H C 2.214 177.528 175.328 -0.022 0.000 1.092 118 H CA 1.657 57.694 56.048 -0.019 0.000 1.309 118 H CB -0.165 29.609 29.762 0.021 0.000 1.382 118 H HN 0.532 nan 8.280 nan 0.000 0.535 119 Q N 0.172 119.734 119.800 -0.396 0.000 2.369 119 Q HA -0.060 4.280 4.340 -0.001 0.000 0.206 119 Q C 1.453 177.381 176.000 -0.121 0.000 0.963 119 Q CA 1.253 56.933 55.803 -0.204 0.000 0.894 119 Q CB 0.230 28.805 28.738 -0.271 0.000 0.965 119 Q HN 0.762 nan 8.270 nan 0.000 0.475 120 E N -0.483 119.632 120.200 -0.141 0.000 2.201 120 E HA 0.134 4.484 4.350 -0.001 0.000 0.193 120 E C -0.273 176.279 176.600 -0.080 0.000 0.957 120 E CA 0.172 56.505 56.400 -0.111 0.000 0.858 120 E CB 0.745 30.359 29.700 -0.144 0.000 0.816 120 E HN -0.056 nan 8.360 nan 0.000 0.475 121 L N 0.860 122.042 121.223 -0.068 0.000 2.643 121 L HA 0.208 4.547 4.340 -0.001 0.000 0.257 121 L C -2.161 174.722 176.870 0.021 0.000 0.922 121 L CA -0.641 54.173 54.840 -0.042 0.000 0.909 121 L CB 2.181 44.152 42.059 -0.147 0.000 1.424 121 L HN -0.220 nan 8.230 nan 0.000 0.422 122 D N 4.214 124.674 120.400 0.099 0.000 2.352 122 D HA 0.206 4.846 4.640 -0.001 0.000 0.245 122 D C 0.966 177.411 176.300 0.240 0.000 1.224 122 D CA 0.176 54.268 54.000 0.152 0.000 0.879 122 D CB 0.783 41.669 40.800 0.143 0.000 1.057 122 D HN 0.662 nan 8.370 nan 0.000 0.491 123 L N 3.181 124.532 121.223 0.212 0.000 2.291 123 L HA -0.094 4.246 4.340 -0.001 0.000 0.214 123 L C 2.529 179.699 176.870 0.500 0.000 1.120 123 L CA 0.104 55.109 54.840 0.275 0.000 0.799 123 L CB -0.188 41.943 42.059 0.119 0.000 0.925 123 L HN 0.556 nan 8.230 nan 0.000 0.446 124 C N 1.758 121.306 119.300 0.414 0.000 2.388 124 C HA -0.121 4.339 4.460 -0.001 0.000 0.277 124 C C 0.384 175.516 174.990 0.237 0.000 1.210 124 C CA 1.505 60.720 59.018 0.328 0.000 1.743 124 C CB -1.329 26.418 27.740 0.012 0.000 2.047 124 C HN 0.319 nan 8.230 nan 0.000 0.458 125 P HA -0.116 nan 4.420 nan 0.000 0.220 125 P C 0.758 177.967 177.300 -0.152 0.000 1.148 125 P CA 1.782 64.819 63.100 -0.106 0.000 0.803 125 P CB -0.426 31.137 31.700 -0.229 0.000 0.782 126 Y N -2.338 118.095 120.300 0.221 0.000 2.457 126 Y HA -0.041 4.509 4.550 -0.001 0.000 0.292 126 Y C 2.581 178.794 175.900 0.522 0.000 1.125 126 Y CA 0.351 58.639 58.100 0.314 0.000 1.254 126 Y CB -1.020 37.608 38.460 0.280 0.000 1.012 126 Y HN 0.032 nan 8.280 nan 0.000 0.555 127 W N 0.441 122.063 121.300 0.536 0.000 2.476 127 W HA -0.059 4.601 4.660 -0.001 0.000 0.281 127 W C 1.417 178.013 176.519 0.129 0.000 1.230 127 W CA 1.014 58.599 57.345 0.400 0.000 1.287 127 W CB -0.473 29.263 29.460 0.459 0.000 1.108 127 W HN -0.034 nan 8.180 nan 0.000 0.567 128 L N 1.287 122.281 121.223 -0.381 0.000 2.034 128 L HA -0.245 4.095 4.340 -0.001 0.000 0.217 128 L C -0.350 176.032 176.870 -0.813 0.000 1.077 128 L CA 1.844 56.191 54.840 -0.822 0.000 0.769 128 L CB -2.220 39.580 42.059 -0.432 0.000 0.890 128 L HN -0.031 nan 8.230 nan 0.000 0.435 129 P HA -0.125 nan 4.420 nan 0.000 0.228 129 P C 0.750 177.531 177.300 -0.866 0.000 1.151 129 P CA 1.291 63.970 63.100 -0.701 0.000 0.770 129 P CB -0.015 31.260 31.700 -0.708 0.000 0.786 130 H N -2.080 116.666 119.070 -0.540 0.000 2.592 130 H HA 0.412 4.968 4.556 -0.001 0.000 0.279 130 H C 1.645 176.677 175.328 -0.493 0.000 1.089 130 H CA 0.120 55.905 56.048 -0.438 0.000 1.150 130 H CB 0.038 29.585 29.762 -0.359 0.000 1.575 130 H HN 0.048 nan 8.280 nan 0.000 0.547 131 A N 1.167 123.572 122.820 -0.691 0.000 1.986 131 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 131 A C 2.044 179.606 177.584 -0.036 0.000 1.171 131 A CA 1.369 53.138 52.037 -0.446 0.000 0.640 131 A CB 0.009 18.672 19.000 -0.563 0.000 0.811 131 A HN 0.155 nan 8.150 nan 0.000 0.451 132 E N -0.731 119.418 120.200 -0.085 0.000 2.427 132 E HA -0.071 4.279 4.350 -0.001 0.000 0.196 132 E C 1.719 178.334 176.600 0.025 0.000 1.028 132 E CA 0.842 57.234 56.400 -0.013 0.000 0.864 132 E CB 0.001 29.676 29.700 -0.042 0.000 0.813 132 E HN 0.742 nan 8.360 nan 0.000 0.514 133 Q N -0.809 119.012 119.800 0.035 0.000 2.402 133 Q HA 0.183 4.523 4.340 -0.001 0.000 0.231 133 Q C 0.116 176.168 176.000 0.085 0.000 0.888 133 Q CA 0.119 55.951 55.803 0.048 0.000 0.938 133 Q CB 1.578 30.337 28.738 0.036 0.000 1.086 133 Q HN -0.012 nan 8.270 nan 0.000 0.543 134 V N 0.181 120.195 119.914 0.166 0.000 3.000 134 V HA 0.464 4.584 4.120 -0.001 0.000 0.300 134 V C -1.185 175.166 176.094 0.428 0.000 1.251 134 V CA -0.673 61.759 62.300 0.219 0.000 0.972 134 V CB 2.188 34.104 31.823 0.155 0.000 1.065 134 V HN 0.299 nan 8.190 nan 0.000 0.431 135 S N 5.001 120.873 115.700 0.286 0.000 2.579 135 S HA 0.182 4.652 4.470 -0.001 0.000 0.275 135 S C 0.864 175.506 174.600 0.069 0.000 1.345 135 S CA 0.432 58.792 58.200 0.267 0.000 1.031 135 S CB 0.626 63.911 63.200 0.141 0.000 0.892 135 S HN 1.091 nan 8.310 nan 0.000 0.529 136 F N 2.500 122.112 119.950 -0.562 0.000 2.095 136 F HA -0.031 4.496 4.527 -0.001 0.000 0.298 136 F C 2.375 177.907 175.800 -0.448 0.000 1.104 136 F CA 1.639 58.828 58.000 -1.351 0.000 1.232 136 F CB -1.189 36.890 39.000 -1.535 0.000 0.987 136 F HN 0.768 nan 8.300 nan 0.000 0.475 137 A N -0.132 122.510 122.820 -0.297 0.000 1.902 137 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 137 A C 2.276 179.760 177.584 -0.167 0.000 1.181 137 A CA 1.732 53.644 52.037 -0.209 0.000 0.623 137 A CB -1.067 17.899 19.000 -0.057 0.000 0.818 137 A HN 0.589 nan 8.150 nan 0.000 0.443 138 E N -0.130 120.014 120.200 -0.093 0.000 2.106 138 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 138 E C 2.064 178.640 176.600 -0.039 0.000 0.984 138 E CA 0.943 57.315 56.400 -0.046 0.000 0.806 138 E CB -0.246 29.454 29.700 -0.000 0.000 0.750 138 E HN 0.531 nan 8.360 nan 0.000 0.458 139 A N 0.635 123.422 122.820 -0.055 0.000 1.933 139 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 139 A C 2.185 179.855 177.584 0.144 0.000 1.175 139 A CA 1.756 53.813 52.037 0.033 0.000 0.628 139 A CB -0.298 18.749 19.000 0.078 0.000 0.814 139 A HN 0.360 nan 8.150 nan 0.000 0.444 140 V N -5.663 114.217 119.914 -0.056 0.000 3.477 140 V HA 0.396 4.516 4.120 -0.001 0.000 0.297 140 V C 0.414 176.511 176.094 0.004 0.000 1.433 140 V CA -0.174 62.120 62.300 -0.010 0.000 1.052 140 V CB -0.882 30.811 31.823 -0.217 0.000 0.895 140 V HN 0.477 nan 8.190 nan 0.000 0.438 141 C N 0.427 119.706 119.300 -0.034 0.000 2.898 141 C HA 0.728 5.188 4.460 -0.001 0.000 0.304 141 C C 1.846 176.808 174.990 -0.047 0.000 1.237 141 C CA 0.506 59.517 59.018 -0.011 0.000 1.529 141 C CB 2.018 29.741 27.740 -0.029 0.000 2.021 141 C HN 0.605 nan 8.230 nan 0.000 0.474 142 S N 1.463 117.136 115.700 -0.045 0.000 2.486 142 S HA -0.041 4.429 4.470 -0.001 0.000 0.220 142 S C 1.187 175.756 174.600 -0.051 0.000 1.011 142 S CA 0.499 58.668 58.200 -0.052 0.000 0.921 142 S CB -0.276 62.896 63.200 -0.047 0.000 0.785 142 S HN 0.873 nan 8.310 nan 0.000 0.517 143 Q N 0.634 120.397 119.800 -0.061 0.000 2.226 143 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 143 Q C 2.197 178.138 176.000 -0.098 0.000 0.975 143 Q CA 1.458 57.209 55.803 -0.086 0.000 0.866 143 Q CB -0.229 28.435 28.738 -0.122 0.000 0.915 143 Q HN 0.575 nan 8.270 nan 0.000 0.440 144 Q N 0.442 120.184 119.800 -0.097 0.000 2.030 144 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 144 Q C 1.901 177.868 176.000 -0.056 0.000 0.986 144 Q CA 1.882 57.635 55.803 -0.083 0.000 0.843 144 Q CB -0.394 28.305 28.738 -0.066 0.000 0.904 144 Q HN 0.227 nan 8.270 nan 0.000 0.420 145 V N 0.315 120.202 119.914 -0.045 0.000 2.358 145 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 145 V C 2.343 178.418 176.094 -0.032 0.000 1.047 145 V CA 1.691 63.972 62.300 -0.032 0.000 1.035 145 V CB -0.540 31.267 31.823 -0.027 0.000 0.658 145 V HN 0.348 nan 8.190 nan 0.000 0.452 146 L N 0.456 121.656 121.223 -0.039 0.000 2.109 146 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 146 L C 2.771 179.620 176.870 -0.035 0.000 1.086 146 L CA 1.913 56.732 54.840 -0.035 0.000 0.760 146 L CB -1.112 40.924 42.059 -0.038 0.000 0.910 146 L HN 0.555 nan 8.230 nan 0.000 0.437 147 T N -3.529 110.997 114.554 -0.046 0.000 2.951 147 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 147 T C 1.775 176.466 174.700 -0.015 0.000 1.073 147 T CA 0.793 62.870 62.100 -0.038 0.000 1.134 147 T CB -0.216 68.611 68.868 -0.068 0.000 0.884 147 T HN 0.327 nan 8.240 nan 0.000 0.479 148 Q N 0.637 120.424 119.800 -0.022 0.000 2.170 148 Q HA 0.120 4.460 4.340 -0.001 0.000 0.203 148 Q C 2.026 178.026 176.000 0.001 0.000 0.976 148 Q CA 1.077 56.875 55.803 -0.007 0.000 0.858 148 Q CB -0.396 28.334 28.738 -0.013 0.000 0.907 148 Q HN 0.537 nan 8.270 nan 0.000 0.433 149 L N -0.661 120.558 121.223 -0.007 0.000 2.599 149 L HA 0.125 4.465 4.340 -0.001 0.000 0.230 149 L C 1.017 177.884 176.870 -0.005 0.000 1.141 149 L CA 0.269 55.105 54.840 -0.006 0.000 0.877 149 L CB -0.174 41.878 42.059 -0.012 0.000 1.009 149 L HN 0.348 nan 8.230 nan 0.000 0.447 150 G N 0.787 109.587 108.800 0.001 0.000 2.198 150 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.260 150 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.260 150 G C 0.121 175.018 174.900 -0.004 0.000 1.025 150 G CA -0.049 45.054 45.100 0.005 0.000 0.769 150 G HN 0.259 nan 8.290 nan 0.000 0.507 151 L N -0.056 121.157 121.223 -0.015 0.000 2.399 151 L HA 0.699 5.038 4.340 -0.001 0.000 0.266 151 L C 1.172 178.016 176.870 -0.045 0.000 1.114 151 L CA -0.398 54.424 54.840 -0.029 0.000 0.804 151 L CB 1.208 43.247 42.059 -0.033 0.000 1.146 151 L HN 0.317 nan 8.230 nan 0.000 0.451 152 A N 3.543 126.318 122.820 -0.075 0.000 2.296 152 A HA 0.454 4.773 4.320 -0.001 0.000 0.264 152 A C -1.782 175.679 177.584 -0.205 0.000 1.097 152 A CA -1.040 50.901 52.037 -0.160 0.000 0.811 152 A CB -0.129 18.731 19.000 -0.233 0.000 1.072 152 A HN 0.643 nan 8.150 nan 0.000 0.495 153 P HA 0.122 nan 4.420 nan 0.000 0.255 153 P C -0.336 176.855 177.300 -0.181 0.000 1.248 153 P CA 0.620 63.581 63.100 -0.231 0.000 0.807 153 P CB -0.049 31.487 31.700 -0.273 0.000 1.150 154 K N -2.547 117.683 120.400 -0.283 0.000 2.614 154 K HA 0.581 4.901 4.320 -0.001 0.000 0.293 154 K C -1.164 175.369 176.600 -0.112 0.000 1.045 154 K CA -0.739 55.452 56.287 -0.159 0.000 0.880 154 K CB 0.593 32.969 32.500 -0.206 0.000 1.552 154 K HN -0.353 nan 8.250 nan 0.000 0.404 155 S N 0.014 115.712 115.700 -0.003 0.000 2.689 155 S HA 0.336 4.805 4.470 -0.001 0.000 0.306 155 S C 0.650 175.364 174.600 0.190 0.000 1.104 155 S CA -0.782 57.446 58.200 0.048 0.000 0.973 155 S CB 1.284 64.498 63.200 0.024 0.000 1.121 155 S HN 0.628 nan 8.310 nan 0.000 0.523 156 I N 2.327 122.978 120.570 0.134 0.000 2.614 156 I HA -0.097 4.072 4.170 -0.001 0.000 0.258 156 I C 1.784 178.029 176.117 0.214 0.000 1.189 156 I CA 1.068 62.457 61.300 0.148 0.000 1.462 156 I CB -0.247 37.752 38.000 -0.002 0.000 1.092 156 I HN 0.572 nan 8.210 nan 0.000 0.442 157 V N -3.096 116.895 119.914 0.129 0.000 3.306 157 V HA 0.097 4.217 4.120 -0.001 0.000 0.264 157 V C 1.031 177.175 176.094 0.084 0.000 1.149 157 V CA 0.328 62.681 62.300 0.088 0.000 1.143 157 V CB -1.872 29.970 31.823 0.032 0.000 0.767 157 V HN 0.300 nan 8.190 nan 0.000 0.476 158 T N 2.874 117.488 114.554 0.101 0.000 2.901 158 T HA 0.592 4.942 4.350 -0.001 0.000 0.301 158 T C 0.557 175.235 174.700 -0.037 0.000 1.012 158 T CA 0.430 62.537 62.100 0.011 0.000 1.135 158 T CB 1.085 69.945 68.868 -0.014 0.000 0.936 158 T HN 0.797 nan 8.240 nan 0.000 0.539 159 A N 3.595 126.355 122.820 -0.099 0.000 2.466 159 A HA 0.149 4.468 4.320 -0.001 0.000 0.238 159 A C 0.615 178.129 177.584 -0.117 0.000 1.074 159 A CA -0.382 51.585 52.037 -0.116 0.000 0.774 159 A CB -0.043 18.786 19.000 -0.284 0.000 1.015 159 A HN 0.843 nan 8.150 nan 0.000 0.498 160 Q N 0.174 119.913 119.800 -0.102 0.000 2.283 160 Q HA 0.092 4.432 4.340 -0.001 0.000 0.301 160 Q C -0.631 175.351 176.000 -0.029 0.000 1.063 160 Q CA 0.893 56.541 55.803 -0.259 0.000 0.952 160 Q CB -0.099 28.511 28.738 -0.212 0.000 1.166 160 Q HN 0.719 nan 8.270 nan 0.000 0.381 161 Y N -2.464 117.904 120.300 0.115 0.000 4.929 161 Y HA -0.353 4.197 4.550 -0.000 0.000 0.253 161 Y C 0.369 176.314 175.900 0.076 0.000 0.946 161 Y CA 1.057 59.231 58.100 0.124 0.000 1.905 161 Y CB -1.969 36.517 38.460 0.043 0.000 1.400 161 Y HN 0.709 nan 8.280 nan 0.000 0.531 162 H N 0.024 119.167 119.070 0.122 0.000 2.500 162 H HA 0.675 5.230 4.556 -0.001 0.000 0.351 162 H C 0.086 175.530 175.328 0.193 0.000 1.281 162 H CA 0.327 56.386 56.048 0.020 0.000 1.368 162 H CB 1.211 30.910 29.762 -0.105 0.000 1.616 162 H HN 0.063 nan 8.280 nan 0.000 0.591 163 F N -1.812 118.256 119.950 0.196 0.000 2.693 163 F HA 0.219 4.746 4.527 -0.001 0.000 0.309 163 F C 0.199 176.056 175.800 0.095 0.000 1.129 163 F CA -0.946 57.155 58.000 0.167 0.000 0.948 163 F CB 1.055 40.222 39.000 0.278 0.000 1.315 163 F HN 0.201 nan 8.300 nan 0.000 0.447 164 Q N 0.481 120.472 119.800 0.317 0.000 2.204 164 Q HA 0.231 4.570 4.340 -0.001 0.000 0.198 164 Q C -0.427 175.794 176.000 0.368 0.000 0.946 164 Q CA 0.977 56.919 55.803 0.232 0.000 0.859 164 Q CB 0.038 28.838 28.738 0.102 0.000 0.946 164 Q HN 0.632 nan 8.270 nan 0.000 0.474 165 N N 1.094 120.009 118.700 0.358 0.000 2.225 165 N HA 0.141 4.881 4.740 -0.001 0.000 0.298 165 N C -0.904 174.546 175.510 -0.100 0.000 1.076 165 N CA -0.507 52.660 53.050 0.195 0.000 0.792 165 N CB 1.391 39.915 38.487 0.063 0.000 1.498 165 N HN -0.018 nan 8.380 nan 0.000 0.474 166 N N 1.041 119.431 118.700 -0.516 0.000 2.441 166 N HA 0.066 4.806 4.740 -0.001 0.000 0.251 166 N C -1.144 174.170 175.510 -0.327 0.000 1.242 166 N CA 0.555 52.987 53.050 -1.031 0.000 0.898 166 N CB 0.113 38.148 38.487 -0.754 0.000 1.100 166 N HN 0.454 nan 8.380 nan 0.000 0.443 167 Y N -1.142 118.869 120.300 -0.482 0.000 2.597 167 Y HA 0.743 5.293 4.550 -0.001 0.000 0.340 167 Y C 0.073 175.743 175.900 -0.383 0.000 1.097 167 Y CA -1.141 56.817 58.100 -0.236 0.000 1.037 167 Y CB 0.692 39.048 38.460 -0.173 0.000 1.305 167 Y HN 0.421 nan 8.280 nan 0.000 0.463 168 G N 0.332 109.016 108.800 -0.193 0.000 3.211 168 G HA2 0.607 4.567 3.960 -0.001 0.000 0.167 168 G HA3 0.607 4.567 3.960 -0.001 0.000 0.167 168 G C -2.109 172.544 174.900 -0.412 0.000 1.212 168 G CA -0.995 43.847 45.100 -0.430 0.000 0.928 168 G HN 0.596 nan 8.290 nan 0.000 0.607 169 Y N -1.481 118.874 120.300 0.092 0.000 2.581 169 Y HA 0.534 5.084 4.550 -0.001 0.000 0.345 169 Y C -0.322 175.561 175.900 -0.028 0.000 1.036 169 Y CA -0.804 57.331 58.100 0.058 0.000 1.042 169 Y CB 1.870 40.440 38.460 0.183 0.000 1.289 169 Y HN 0.485 nan 8.280 nan 0.000 0.471 170 H N 1.931 121.140 119.070 0.232 0.000 2.458 170 H HA 0.724 5.280 4.556 -0.001 0.000 0.330 170 H C -1.028 174.347 175.328 0.079 0.000 1.111 170 H CA -0.938 55.191 56.048 0.134 0.000 1.245 170 H CB 1.394 31.208 29.762 0.087 0.000 1.456 170 H HN 0.491 nan 8.280 nan 0.000 0.488 171 L N 0.043 121.375 121.223 0.181 0.000 2.568 171 L HA 0.455 4.794 4.340 -0.001 0.000 0.257 171 L C -0.890 176.014 176.870 0.057 0.000 1.024 171 L CA -1.173 53.685 54.840 0.030 0.000 0.854 171 L CB 1.483 43.516 42.059 -0.042 0.000 1.460 171 L HN 0.459 nan 8.230 nan 0.000 0.409 172 N N 0.805 119.513 118.700 0.014 0.000 2.420 172 N HA 0.457 5.196 4.740 -0.001 0.000 0.249 172 N C 0.639 176.224 175.510 0.125 0.000 1.033 172 N CA 0.373 53.458 53.050 0.059 0.000 0.944 172 N CB 1.860 40.360 38.487 0.022 0.000 1.113 172 N HN 0.972 nan 8.380 nan 0.000 0.502 173 A N 4.107 127.027 122.820 0.166 0.000 1.969 173 A HA -0.028 4.292 4.320 -0.001 0.000 0.218 173 A C 2.049 179.750 177.584 0.195 0.000 1.169 173 A CA 1.678 53.861 52.037 0.242 0.000 0.635 173 A CB -0.652 18.471 19.000 0.206 0.000 0.810 173 A HN 0.747 nan 8.150 nan 0.000 0.445 174 A N 0.048 122.945 122.820 0.128 0.000 1.902 174 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 174 A C 2.106 179.739 177.584 0.081 0.000 1.181 174 A CA 1.738 53.830 52.037 0.092 0.000 0.623 174 A CB -0.408 18.634 19.000 0.069 0.000 0.818 174 A HN 0.529 nan 8.150 nan 0.000 0.443 175 K N -1.555 118.895 120.400 0.084 0.000 2.097 175 K HA -0.094 4.226 4.320 -0.001 0.000 0.205 175 K C 1.798 178.480 176.600 0.137 0.000 1.050 175 K CA 1.323 57.649 56.287 0.065 0.000 0.938 175 K CB -0.315 32.197 32.500 0.021 0.000 0.718 175 K HN 0.471 nan 8.250 nan 0.000 0.442 176 F N 2.290 122.243 119.950 0.005 0.000 2.102 176 F HA -0.167 4.359 4.527 -0.000 0.000 0.298 176 F C 2.150 177.968 175.800 0.030 0.000 1.105 176 F CA 1.188 59.222 58.000 0.056 0.000 1.239 176 F CB -0.637 38.442 39.000 0.132 0.000 0.991 176 F HN -0.128 nan 8.300 nan 0.000 0.474 177 S N 0.159 115.852 115.700 -0.011 0.000 2.383 177 S HA -0.260 4.209 4.470 -0.001 0.000 0.229 177 S C 1.899 176.340 174.600 -0.266 0.000 1.030 177 S CA 1.556 59.666 58.200 -0.150 0.000 1.002 177 S CB -0.396 62.808 63.200 0.006 0.000 0.829 177 S HN 0.547 nan 8.310 nan 0.000 0.467 178 Q N 0.421 120.141 119.800 -0.134 0.000 2.079 178 Q HA -0.009 4.331 4.340 -0.001 0.000 0.200 178 Q C 2.343 178.235 176.000 -0.179 0.000 0.974 178 Q CA 1.094 56.799 55.803 -0.163 0.000 0.840 178 Q CB -0.332 28.368 28.738 -0.063 0.000 0.898 178 Q HN 0.511 nan 8.270 nan 0.000 0.430 179 L N 0.516 121.699 121.223 -0.067 0.000 2.017 179 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 179 L C 2.056 178.875 176.870 -0.085 0.000 1.073 179 L CA 1.215 56.049 54.840 -0.010 0.000 0.745 179 L CB -0.134 42.011 42.059 0.143 0.000 0.894 179 L HN 0.230 nan 8.230 nan 0.000 0.432 180 L N -0.579 120.531 121.223 -0.188 0.000 2.046 180 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 180 L C 2.525 179.072 176.870 -0.538 0.000 1.077 180 L CA 1.727 56.416 54.840 -0.251 0.000 0.747 180 L CB -0.971 40.916 42.059 -0.288 0.000 0.896 180 L HN 0.303 nan 8.230 nan 0.000 0.432 181 T N -0.890 113.046 114.554 -1.030 0.000 2.684 181 T HA -0.254 4.096 4.350 -0.001 0.000 0.267 181 T C 1.756 176.038 174.700 -0.696 0.000 1.036 181 T CA 1.791 62.952 62.100 -1.564 0.000 1.148 181 T CB -0.171 67.949 68.868 -1.247 0.000 0.863 181 T HN 0.280 nan 8.240 nan 0.000 0.436 182 E N 0.713 120.694 120.200 -0.364 0.000 2.058 182 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 182 E C 1.950 178.497 176.600 -0.087 0.000 0.997 182 E CA 1.824 58.127 56.400 -0.162 0.000 0.801 182 E CB -0.476 29.175 29.700 -0.082 0.000 0.746 182 E HN 0.703 nan 8.360 nan 0.000 0.450 183 H N -0.974 118.016 119.070 -0.134 0.000 2.321 183 H HA -0.065 4.491 4.556 -0.001 0.000 0.300 183 H C 1.994 177.297 175.328 -0.042 0.000 1.087 183 H CA 2.221 58.233 56.048 -0.059 0.000 1.319 183 H CB -0.558 29.190 29.762 -0.024 0.000 1.379 183 H HN 0.307 nan 8.280 nan 0.000 0.501 184 C N 0.146 119.434 119.300 -0.020 0.000 2.440 184 C HA -0.110 4.350 4.460 -0.001 0.000 0.278 184 C C 2.909 177.907 174.990 0.014 0.000 1.295 184 C CA 1.643 60.686 59.018 0.042 0.000 1.738 184 C CB -1.038 26.862 27.740 0.266 0.000 1.987 184 C HN 0.894 nan 8.230 nan 0.000 0.492 185 T N -2.062 112.477 114.554 -0.025 0.000 2.937 185 T HA -0.083 4.267 4.350 -0.001 0.000 0.260 185 T C 1.680 176.366 174.700 -0.023 0.000 1.051 185 T CA 0.951 63.063 62.100 0.021 0.000 1.141 185 T CB -0.251 68.644 68.868 0.045 0.000 0.879 185 T HN 0.425 nan 8.240 nan 0.000 0.459 186 Q N 0.833 120.593 119.800 -0.068 0.000 2.302 186 Q HA 0.206 4.545 4.340 -0.001 0.000 0.202 186 Q C 1.888 177.829 176.000 -0.098 0.000 0.936 186 Q CA 0.902 56.667 55.803 -0.063 0.000 0.886 186 Q CB 0.184 28.893 28.738 -0.048 0.000 0.986 186 Q HN 0.605 nan 8.270 nan 0.000 0.487 187 K N -0.550 119.734 120.400 -0.193 0.000 2.387 187 K HA 0.249 4.568 4.320 -0.001 0.000 0.197 187 K C 1.555 178.038 176.600 -0.196 0.000 1.127 187 K CA 0.077 56.221 56.287 -0.238 0.000 0.950 187 K CB 0.867 33.097 32.500 -0.449 0.000 1.017 187 K HN 0.013 nan 8.250 nan 0.000 0.519 188 L N 0.014 121.131 121.223 -0.178 0.000 2.693 188 L HA 0.266 4.605 4.340 -0.001 0.000 0.235 188 L C 0.756 177.610 176.870 -0.027 0.000 1.127 188 L CA 0.135 54.924 54.840 -0.085 0.000 0.914 188 L CB 0.632 42.663 42.059 -0.046 0.000 1.193 188 L HN 0.391 nan 8.230 nan 0.000 0.502 189 G N 0.818 109.605 108.800 -0.021 0.000 2.155 189 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.257 189 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.257 189 G C 0.323 175.242 174.900 0.031 0.000 0.983 189 G CA 0.210 45.313 45.100 0.006 0.000 0.676 189 G HN 0.135 nan 8.290 nan 0.000 0.528 190 V N 1.381 121.331 119.914 0.061 0.000 2.572 190 V HA 0.367 4.487 4.120 -0.001 0.000 0.291 190 V C 1.178 177.343 176.094 0.118 0.000 1.039 190 V CA 0.640 62.992 62.300 0.087 0.000 1.055 190 V CB 1.247 33.163 31.823 0.154 0.000 0.969 190 V HN 0.327 nan 8.190 nan 0.000 0.482 191 T N 5.171 119.773 114.554 0.080 0.000 2.832 191 T HA 0.243 4.592 4.350 -0.001 0.000 0.296 191 T C -0.246 174.559 174.700 0.175 0.000 0.968 191 T CA 0.028 62.189 62.100 0.101 0.000 1.107 191 T CB -0.076 68.818 68.868 0.043 0.000 0.916 191 T HN 0.798 nan 8.240 nan 0.000 0.517 192 H N 3.456 122.585 119.070 0.099 0.000 2.589 192 H HA 0.561 5.117 4.556 -0.001 0.000 0.335 192 H C -1.032 174.341 175.328 0.076 0.000 1.019 192 H CA -0.934 55.200 56.048 0.143 0.000 1.213 192 H CB 0.675 30.610 29.762 0.289 0.000 1.472 192 H HN 0.473 nan 8.280 nan 0.000 0.508 193 I N 5.369 125.977 120.570 0.063 0.000 2.465 193 I HA 0.287 4.457 4.170 -0.001 0.000 0.291 193 I C -0.263 175.780 176.117 -0.124 0.000 1.014 193 I CA -0.755 60.499 61.300 -0.076 0.000 1.093 193 I CB 2.041 40.031 38.000 -0.017 0.000 1.267 193 I HN 0.443 nan 8.210 nan 0.000 0.431 194 R N 4.976 125.356 120.500 -0.200 0.000 2.239 194 R HA 0.458 4.798 4.340 -0.001 0.000 0.332 194 R C -1.716 174.514 176.300 -0.117 0.000 0.988 194 R CA -0.145 55.875 56.100 -0.134 0.000 0.859 194 R CB 0.871 31.086 30.300 -0.141 0.000 1.148 194 R HN 0.675 nan 8.270 nan 0.000 0.482 195 D N 1.085 121.406 120.400 -0.132 0.000 2.694 195 D HA 0.193 4.833 4.640 -0.001 0.000 0.260 195 D C -1.306 174.881 176.300 -0.188 0.000 1.250 195 D CA -0.455 53.469 54.000 -0.127 0.000 0.763 195 D CB 1.219 41.996 40.800 -0.037 0.000 1.311 195 D HN 0.498 nan 8.370 nan 0.000 0.420 196 H N 0.079 119.148 119.070 -0.002 0.000 2.525 196 H HA 0.427 4.983 4.556 -0.001 0.000 0.339 196 H C -0.317 175.007 175.328 -0.007 0.000 1.109 196 H CA -0.255 55.791 56.048 -0.003 0.000 1.352 196 H CB 1.458 31.218 29.762 -0.004 0.000 1.461 196 H HN -0.009 nan 8.280 nan 0.000 0.533 197 V N 2.967 122.943 119.914 0.104 0.000 2.350 197 V HA -0.003 4.117 4.120 -0.001 0.000 0.276 197 V C 1.235 177.353 176.094 0.040 0.000 1.028 197 V CA -0.113 62.215 62.300 0.047 0.000 0.860 197 V CB 1.399 33.229 31.823 0.010 0.000 0.990 197 V HN 0.897 nan 8.190 nan 0.000 0.453 198 S N 3.366 119.079 115.700 0.022 0.000 2.470 198 S HA 0.217 4.687 4.470 -0.001 0.000 0.222 198 S C 0.499 175.092 174.600 -0.012 0.000 1.024 198 S CA 0.031 58.234 58.200 0.005 0.000 0.931 198 S CB 0.233 63.435 63.200 0.002 0.000 0.791 198 S HN 0.722 nan 8.310 nan 0.000 0.513 199 Q N -0.140 119.644 119.800 -0.027 0.000 2.320 199 Q HA 0.506 4.845 4.340 -0.001 0.000 0.272 199 Q C -1.909 174.033 176.000 -0.096 0.000 1.023 199 Q CA -0.393 55.382 55.803 -0.046 0.000 0.855 199 Q CB 2.378 31.098 28.738 -0.030 0.000 1.367 199 Q HN 0.373 nan 8.270 nan 0.000 0.406 200 I N 3.374 123.846 120.570 -0.163 0.000 2.321 200 I HA 0.357 4.527 4.170 -0.001 0.000 0.291 200 I C -0.442 175.545 176.117 -0.217 0.000 0.998 200 I CA -0.683 60.425 61.300 -0.321 0.000 1.227 200 I CB 0.895 38.464 38.000 -0.717 0.000 1.368 200 I HN 0.340 nan 8.210 nan 0.000 0.466 201 I N 5.842 126.309 120.570 -0.172 0.000 2.354 201 I HA 0.343 4.513 4.170 -0.001 0.000 0.292 201 I C -0.038 176.038 176.117 -0.067 0.000 0.989 201 I CA -0.602 60.655 61.300 -0.072 0.000 1.188 201 I CB 1.107 39.078 38.000 -0.049 0.000 1.342 201 I HN 0.512 nan 8.210 nan 0.000 0.457 202 N N 4.715 123.419 118.700 0.007 0.000 2.495 202 N HA 0.270 5.009 4.740 -0.001 0.000 0.280 202 N C -0.027 175.473 175.510 -0.017 0.000 1.168 202 N CA -0.504 52.554 53.050 0.013 0.000 0.978 202 N CB 0.903 39.420 38.487 0.051 0.000 1.191 202 N HN 0.580 nan 8.380 nan 0.000 0.497 203 N N -0.638 118.048 118.700 -0.022 0.000 2.364 203 N HA 0.086 4.826 4.740 -0.001 0.000 0.264 203 N C 0.873 176.307 175.510 -0.127 0.000 1.263 203 N CA -0.100 52.906 53.050 -0.073 0.000 0.959 203 N CB -0.507 37.941 38.487 -0.064 0.000 1.204 203 N HN 0.488 nan 8.380 nan 0.000 0.550 204 Q N -1.138 118.502 119.800 -0.267 0.000 2.291 204 Q HA -0.113 4.226 4.340 -0.001 0.000 0.206 204 Q C 1.167 177.030 176.000 -0.228 0.000 0.976 204 Q CA 1.975 57.613 55.803 -0.275 0.000 0.875 204 Q CB -1.421 27.110 28.738 -0.345 0.000 0.927 204 Q HN 0.896 nan 8.270 nan 0.000 0.450 205 H N -2.008 117.070 119.070 0.013 0.000 2.529 205 H HA 0.446 5.001 4.556 -0.000 0.000 0.277 205 H C 1.541 176.876 175.328 0.012 0.000 1.004 205 H CA 0.070 56.126 56.048 0.013 0.000 1.167 205 H CB 0.949 30.722 29.762 0.018 0.000 1.445 205 H HN 0.612 nan 8.280 nan 0.000 0.554 206 G N 0.679 109.522 108.800 0.072 0.000 2.175 206 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.244 206 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.244 206 G C -0.276 174.661 174.900 0.061 0.000 0.982 206 G CA 0.062 45.190 45.100 0.046 0.000 0.641 206 G HN 0.326 nan 8.290 nan 0.000 0.527 207 D N 0.158 120.610 120.400 0.088 0.000 2.329 207 D HA 0.490 5.130 4.640 -0.001 0.000 0.246 207 D C 1.287 177.613 176.300 0.044 0.000 1.111 207 D CA -0.316 53.740 54.000 0.094 0.000 0.941 207 D CB 0.754 41.634 40.800 0.133 0.000 1.169 207 D HN 0.308 nan 8.370 nan 0.000 0.441 208 I N 1.354 121.913 120.570 -0.017 0.000 2.556 208 I HA -0.014 4.156 4.170 -0.001 0.000 0.284 208 I C 1.633 177.657 176.117 -0.155 0.000 1.114 208 I CA 0.393 61.542 61.300 -0.251 0.000 1.418 208 I CB 0.831 38.387 38.000 -0.740 0.000 1.394 208 I HN 0.487 nan 8.210 nan 0.000 0.552 209 E N 6.223 126.347 120.200 -0.126 0.000 2.256 209 E HA 0.099 4.448 4.350 -0.001 0.000 0.198 209 E C -0.083 176.595 176.600 0.130 0.000 0.908 209 E CA 0.213 56.641 56.400 0.048 0.000 0.915 209 E CB 0.655 30.366 29.700 0.019 0.000 0.890 209 E HN 0.681 nan 8.360 nan 0.000 0.484 210 K N -0.283 120.115 120.400 -0.003 0.000 2.607 210 K HA 0.380 4.699 4.320 -0.001 0.000 0.287 210 K C -1.533 175.047 176.600 -0.034 0.000 0.996 210 K CA -0.794 55.541 56.287 0.080 0.000 0.876 210 K CB 0.951 33.489 32.500 0.063 0.000 1.496 210 K HN -0.043 nan 8.250 nan 0.000 0.415 211 L N 1.821 123.064 121.223 0.035 0.000 2.346 211 L HA 0.498 4.838 4.340 -0.001 0.000 0.276 211 L C -0.574 176.298 176.870 0.004 0.000 1.006 211 L CA -1.436 53.399 54.840 -0.009 0.000 0.817 211 L CB 1.625 43.706 42.059 0.036 0.000 1.272 211 L HN 0.512 nan 8.230 nan 0.000 0.421 212 I N 2.224 122.786 120.570 -0.013 0.000 2.315 212 I HA 0.257 4.427 4.170 -0.001 0.000 0.291 212 I C 0.684 176.805 176.117 0.008 0.000 1.006 212 I CA -0.049 61.250 61.300 -0.001 0.000 1.265 212 I CB 1.173 39.169 38.000 -0.007 0.000 1.387 212 I HN 0.641 nan 8.210 nan 0.000 0.475 213 T N 2.387 116.951 114.554 0.016 0.000 2.952 213 T HA 0.318 4.668 4.350 -0.001 0.000 0.286 213 T C 1.129 175.848 174.700 0.032 0.000 1.024 213 T CA -0.676 61.441 62.100 0.028 0.000 1.029 213 T CB 2.197 71.079 68.868 0.023 0.000 1.094 213 T HN 0.365 nan 8.240 nan 0.000 0.515 214 K N 0.288 120.720 120.400 0.054 0.000 2.062 214 K HA 0.028 4.348 4.320 -0.001 0.000 0.205 214 K C 2.045 178.665 176.600 0.034 0.000 1.051 214 K CA 1.529 57.845 56.287 0.049 0.000 0.941 214 K CB -0.513 32.037 32.500 0.084 0.000 0.719 214 K HN 0.845 nan 8.250 nan 0.000 0.440 215 Q N -1.125 118.695 119.800 0.032 0.000 2.164 215 Q HA 0.290 4.629 4.340 -0.001 0.000 0.226 215 Q C 0.408 176.414 176.000 0.011 0.000 0.813 215 Q CA -0.051 55.764 55.803 0.020 0.000 0.978 215 Q CB 0.824 29.574 28.738 0.020 0.000 1.149 215 Q HN 0.318 nan 8.270 nan 0.000 0.489 216 N N 0.628 119.335 118.700 0.010 0.000 2.291 216 N HA 0.153 4.893 4.740 -0.001 0.000 0.244 216 N C 0.379 175.894 175.510 0.008 0.000 1.216 216 N CA 0.705 53.758 53.050 0.006 0.000 0.879 216 N CB 1.792 40.279 38.487 0.001 0.000 1.167 216 N HN 0.253 nan 8.380 nan 0.000 0.515 217 G N 1.892 110.698 108.800 0.010 0.000 2.569 217 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.259 217 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.259 217 G C -0.605 174.303 174.900 0.012 0.000 1.263 217 G CA -0.363 44.743 45.100 0.009 0.000 0.928 217 G HN 0.358 nan 8.290 nan 0.000 0.572 218 E N 0.189 120.397 120.200 0.013 0.000 2.200 218 E HA 0.471 4.820 4.350 -0.001 0.000 0.283 218 E C -0.235 176.381 176.600 0.025 0.000 1.015 218 E CA -0.657 55.754 56.400 0.018 0.000 0.819 218 E CB 1.390 31.100 29.700 0.016 0.000 1.081 218 E HN 0.313 nan 8.360 nan 0.000 0.397 219 I N 2.778 123.371 120.570 0.039 0.000 2.328 219 I HA 0.172 4.341 4.170 -0.001 0.000 0.287 219 I C -0.005 176.165 176.117 0.089 0.000 1.012 219 I CA -0.326 61.001 61.300 0.045 0.000 1.195 219 I CB 0.992 39.017 38.000 0.041 0.000 1.350 219 I HN 0.342 nan 8.210 nan 0.000 0.464 220 S N 4.084 119.823 115.700 0.065 0.000 2.578 220 S HA 0.895 5.365 4.470 -0.001 0.000 0.283 220 S C 0.376 175.001 174.600 0.042 0.000 1.195 220 S CA -0.528 57.733 58.200 0.101 0.000 1.050 220 S CB 2.191 65.428 63.200 0.062 0.000 1.012 220 S HN 0.891 nan 8.310 nan 0.000 0.511 221 G N 0.344 109.194 108.800 0.084 0.000 2.645 221 G HA2 0.454 4.414 3.960 -0.001 0.000 0.292 221 G HA3 0.454 4.414 3.960 -0.001 0.000 0.292 221 G C -0.661 174.221 174.900 -0.030 0.000 1.415 221 G CA -0.553 44.437 45.100 -0.183 0.000 0.785 221 G HN 0.573 nan 8.290 nan 0.000 0.483 222 Q N -1.573 118.147 119.800 -0.133 0.000 2.402 222 Q HA 0.337 4.677 4.340 -0.001 0.000 0.231 222 Q C -0.148 175.864 176.000 0.020 0.000 0.888 222 Q CA 0.195 56.004 55.803 0.010 0.000 0.938 222 Q CB 1.079 29.809 28.738 -0.013 0.000 1.086 222 Q HN 0.297 nan 8.270 nan 0.000 0.543 223 L N 0.078 121.184 121.223 -0.196 0.000 2.436 223 L HA 0.500 4.840 4.340 -0.001 0.000 0.268 223 L C -1.825 174.798 176.870 -0.413 0.000 0.974 223 L CA -0.543 54.216 54.840 -0.135 0.000 0.826 223 L CB 1.532 43.506 42.059 -0.141 0.000 1.291 223 L HN -0.151 nan 8.230 nan 0.000 0.406 224 F N 5.595 125.475 119.950 -0.116 0.000 2.467 224 F HA 0.594 5.121 4.527 -0.000 0.000 0.336 224 F C -0.285 175.410 175.800 -0.174 0.000 1.123 224 F CA -0.713 57.212 58.000 -0.124 0.000 0.964 224 F CB 1.736 40.684 39.000 -0.087 0.000 1.136 224 F HN 0.126 nan 8.300 nan 0.000 0.447 225 I N 2.691 123.224 120.570 -0.062 0.000 2.339 225 I HA 0.175 4.344 4.170 -0.001 0.000 0.290 225 I C -0.279 175.803 176.117 -0.059 0.000 0.994 225 I CA -0.766 60.462 61.300 -0.120 0.000 1.191 225 I CB 1.124 39.016 38.000 -0.180 0.000 1.343 225 I HN 0.470 nan 8.210 nan 0.000 0.458 226 D N 6.137 126.511 120.400 -0.044 0.000 2.393 226 D HA 0.174 4.813 4.640 -0.001 0.000 0.232 226 D C -0.174 176.113 176.300 -0.022 0.000 1.192 226 D CA -0.110 53.880 54.000 -0.017 0.000 0.882 226 D CB 0.618 41.421 40.800 0.005 0.000 1.038 226 D HN 0.496 nan 8.370 nan 0.000 0.499 227 C N 3.145 122.422 119.300 -0.039 0.000 2.638 227 C HA 0.127 4.587 4.460 -0.001 0.000 0.282 227 C C 1.856 176.831 174.990 -0.024 0.000 1.473 227 C CA -0.258 58.738 59.018 -0.037 0.000 1.781 227 C CB -1.328 26.360 27.740 -0.086 0.000 2.780 227 C HN 0.712 nan 8.230 nan 0.000 0.531 228 T N -1.843 112.705 114.554 -0.010 0.000 3.148 228 T HA 0.418 4.768 4.350 -0.001 0.000 0.253 228 T C 1.147 175.847 174.700 -0.001 0.000 1.134 228 T CA 0.891 62.987 62.100 -0.006 0.000 1.051 228 T CB 0.043 68.909 68.868 -0.004 0.000 0.959 228 T HN 1.017 nan 8.240 nan 0.000 0.525 229 G N 0.830 109.634 108.800 0.006 0.000 2.632 229 G HA2 0.030 3.990 3.960 -0.001 0.000 0.224 229 G HA3 0.030 3.990 3.960 -0.001 0.000 0.224 229 G C 0.927 175.830 174.900 0.004 0.000 1.341 229 G CA -0.196 44.903 45.100 -0.002 0.000 0.880 229 G HN 0.990 nan 8.290 nan 0.000 0.566 230 A N 0.044 122.850 122.820 -0.024 0.000 2.070 230 A HA 0.019 4.339 4.320 -0.001 0.000 0.220 230 A C 2.244 179.804 177.584 -0.040 0.000 1.159 230 A CA 2.606 54.629 52.037 -0.023 0.000 0.656 230 A CB -0.619 18.349 19.000 -0.054 0.000 0.800 230 A HN 1.500 nan 8.150 nan 0.000 0.453 231 K N -1.028 119.353 120.400 -0.032 0.000 2.280 231 K HA -0.028 4.292 4.320 -0.001 0.000 0.202 231 K C 0.772 177.364 176.600 -0.014 0.000 1.047 231 K CA 1.003 57.272 56.287 -0.030 0.000 0.942 231 K CB -0.521 31.969 32.500 -0.017 0.000 0.739 231 K HN 0.198 nan 8.250 nan 0.000 0.457 232 S N 0.361 116.064 115.700 0.006 0.000 3.524 232 S HA -0.138 4.332 4.470 -0.001 0.000 0.377 232 S C 0.637 175.253 174.600 0.026 0.000 0.949 232 S CA 0.307 58.525 58.200 0.028 0.000 1.264 232 S CB -1.516 61.712 63.200 0.046 0.000 0.918 232 S HN 0.449 nan 8.310 nan 0.000 0.517 233 L N -0.053 121.180 121.223 0.016 0.000 2.201 233 L HA -0.128 4.212 4.340 -0.001 0.000 0.212 233 L C 2.084 178.972 176.870 0.030 0.000 1.105 233 L CA 1.038 55.887 54.840 0.016 0.000 0.775 233 L CB -0.282 41.777 42.059 0.001 0.000 0.913 233 L HN 0.461 nan 8.230 nan 0.000 0.440 234 L N -1.418 119.819 121.223 0.024 0.000 2.185 234 L HA -0.040 4.299 4.340 -0.001 0.000 0.198 234 L C 2.094 179.014 176.870 0.083 0.000 1.079 234 L CA 1.178 56.036 54.840 0.031 0.000 0.780 234 L CB -0.680 41.370 42.059 -0.014 0.000 0.955 234 L HN 0.034 nan 8.230 nan 0.000 0.462 235 L N -0.827 120.434 121.223 0.063 0.000 2.049 235 L HA 0.073 4.413 4.340 -0.001 0.000 0.203 235 L C 2.215 179.129 176.870 0.074 0.000 1.074 235 L CA 1.923 56.806 54.840 0.072 0.000 0.749 235 L CB -0.977 41.121 42.059 0.064 0.000 0.907 235 L HN 0.234 nan 8.230 nan 0.000 0.439 236 G N -1.408 107.435 108.800 0.071 0.000 2.394 236 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.214 236 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.214 236 G C 1.394 176.322 174.900 0.047 0.000 1.176 236 G CA 0.467 45.606 45.100 0.066 0.000 0.786 236 G HN 0.345 nan 8.290 nan 0.000 0.533 237 E N 0.157 120.386 120.200 0.048 0.000 2.024 237 E HA -0.018 4.331 4.350 -0.001 0.000 0.190 237 E C 2.159 178.796 176.600 0.062 0.000 0.974 237 E CA 0.921 57.347 56.400 0.044 0.000 0.810 237 E CB -0.701 29.024 29.700 0.041 0.000 0.775 237 E HN 0.504 nan 8.360 nan 0.000 0.453 238 H N 0.690 119.750 119.070 -0.017 0.000 2.352 238 H HA 0.013 4.569 4.556 -0.001 0.000 0.299 238 H C 1.885 177.201 175.328 -0.019 0.000 1.097 238 H CA 1.536 57.567 56.048 -0.028 0.000 1.311 238 H CB -0.074 29.658 29.762 -0.050 0.000 1.377 238 H HN -0.020 nan 8.280 nan 0.000 0.504 239 L N -0.280 120.948 121.223 0.009 0.000 2.607 239 L HA 0.064 4.403 4.340 -0.001 0.000 0.228 239 L C 0.381 177.240 176.870 -0.018 0.000 1.123 239 L CA 0.161 54.980 54.840 -0.036 0.000 0.890 239 L CB 0.262 42.348 42.059 0.044 0.000 1.103 239 L HN 0.272 nan 8.230 nan 0.000 0.468 240 Q N -0.125 119.673 119.800 -0.003 0.000 2.487 240 Q HA -0.158 4.182 4.340 -0.001 0.000 0.279 240 Q C -0.271 175.744 176.000 0.024 0.000 1.228 240 Q CA 0.394 56.199 55.803 0.003 0.000 0.873 240 Q CB -2.197 26.529 28.738 -0.020 0.000 1.260 240 Q HN 0.229 nan 8.270 nan 0.000 0.471 241 V N 2.029 121.969 119.914 0.044 0.000 2.479 241 V HA 0.136 4.256 4.120 -0.001 0.000 0.281 241 V C -1.522 174.615 176.094 0.071 0.000 1.031 241 V CA -0.716 61.618 62.300 0.058 0.000 1.038 241 V CB 0.630 32.498 31.823 0.074 0.000 0.981 241 V HN 0.092 nan 8.190 nan 0.000 0.478 242 P HA 0.135 nan 4.420 nan 0.000 0.269 242 P C -0.817 176.533 177.300 0.083 0.000 1.215 242 P CA -0.170 62.966 63.100 0.059 0.000 0.780 242 P CB 0.373 32.083 31.700 0.017 0.000 0.898 243 F N 2.533 122.445 119.950 -0.063 0.000 2.420 243 F HA 0.407 4.933 4.527 -0.001 0.000 0.342 243 F C -0.487 175.214 175.800 -0.165 0.000 1.113 243 F CA -0.655 57.282 58.000 -0.105 0.000 1.059 243 F CB 0.670 39.631 39.000 -0.066 0.000 1.128 243 F HN 0.046 nan 8.300 nan 0.000 0.475 244 L N 5.974 126.663 121.223 -0.890 0.000 2.321 244 L HA 0.274 4.614 4.340 -0.001 0.000 0.272 244 L C 0.320 176.673 176.870 -0.860 0.000 1.050 244 L CA -0.577 53.799 54.840 -0.774 0.000 0.893 244 L CB 0.729 42.234 42.059 -0.924 0.000 1.272 244 L HN 0.599 nan 8.230 nan 0.000 0.435 245 S N 1.980 117.453 115.700 -0.379 0.000 2.549 245 S HA 0.083 4.553 4.470 -0.001 0.000 0.286 245 S C 0.765 175.292 174.600 -0.123 0.000 1.314 245 S CA -0.230 57.893 58.200 -0.127 0.000 1.062 245 S CB 0.600 63.853 63.200 0.087 0.000 0.865 245 S HN 0.558 nan 8.310 nan 0.000 0.498 246 Q N 3.366 123.141 119.800 -0.042 0.000 2.155 246 Q HA 0.183 4.523 4.340 -0.001 0.000 0.220 246 Q C 1.174 177.220 176.000 0.077 0.000 0.819 246 Q CA -0.143 55.675 55.803 0.025 0.000 1.032 246 Q CB 0.261 29.049 28.738 0.085 0.000 1.151 246 Q HN 0.746 nan 8.270 nan 0.000 0.487 247 K N 1.221 121.681 120.400 0.101 0.000 2.209 247 K HA -0.098 4.222 4.320 -0.001 0.000 0.204 247 K C 1.794 178.508 176.600 0.190 0.000 1.048 247 K CA 1.453 57.825 56.287 0.142 0.000 0.940 247 K CB 0.275 32.859 32.500 0.140 0.000 0.729 247 K HN 0.175 nan 8.250 nan 0.000 0.451 248 S N -0.699 115.087 115.700 0.144 0.000 2.555 248 S HA -0.031 4.439 4.470 -0.001 0.000 0.230 248 S C 1.630 176.334 174.600 0.173 0.000 0.978 248 S CA 0.618 58.929 58.200 0.185 0.000 0.934 248 S CB 0.218 63.480 63.200 0.103 0.000 0.766 248 S HN 0.064 nan 8.310 nan 0.000 0.533 249 V N 0.777 120.717 119.914 0.042 0.000 2.627 249 V HA 0.252 4.372 4.120 -0.001 0.000 0.239 249 V C 2.190 178.051 176.094 -0.389 0.000 1.077 249 V CA 0.816 63.058 62.300 -0.096 0.000 1.103 249 V CB -0.386 31.434 31.823 -0.005 0.000 0.802 249 V HN 0.419 nan 8.190 nan 0.000 0.482 250 L N -1.539 119.543 121.223 -0.234 0.000 2.416 250 L HA 0.182 4.522 4.340 -0.001 0.000 0.216 250 L C 1.576 178.257 176.870 -0.316 0.000 1.098 250 L CA 0.501 55.172 54.840 -0.281 0.000 0.840 250 L CB 0.028 42.084 42.059 -0.004 0.000 0.981 250 L HN 0.277 nan 8.230 nan 0.000 0.462 251 F N -1.909 118.002 119.950 -0.065 0.000 2.568 251 F HA -0.311 4.216 4.527 -0.001 0.000 0.650 251 F C 0.813 176.647 175.800 0.057 0.000 0.492 251 F CA 0.483 58.458 58.000 -0.043 0.000 0.801 251 F CB -1.833 37.059 39.000 -0.179 0.000 1.661 251 F HN 0.171 nan 8.300 nan 0.000 0.261 252 N N 3.060 121.912 118.700 0.253 0.000 2.447 252 N HA 0.259 4.998 4.740 -0.001 0.000 0.263 252 N C 0.584 176.152 175.510 0.096 0.000 1.226 252 N CA 1.103 54.257 53.050 0.173 0.000 0.906 252 N CB 0.574 39.184 38.487 0.204 0.000 1.060 252 N HN 0.582 nan 8.380 nan 0.000 0.468 253 D N 0.249 120.648 120.400 -0.003 0.000 2.594 253 D HA 0.119 4.759 4.640 -0.001 0.000 0.256 253 D C -0.138 176.082 176.300 -0.134 0.000 1.393 253 D CA -0.177 53.816 54.000 -0.013 0.000 0.797 253 D CB 0.660 41.476 40.800 0.027 0.000 1.110 253 D HN 0.141 nan 8.370 nan 0.000 0.495 254 R N 0.287 120.583 120.500 -0.340 0.000 2.740 254 R HA 0.869 5.208 4.340 -0.001 0.000 0.273 254 R C -1.263 174.734 176.300 -0.506 0.000 0.998 254 R CA -0.789 54.978 56.100 -0.555 0.000 0.900 254 R CB 2.200 31.732 30.300 -1.280 0.000 1.223 254 R HN 0.100 nan 8.270 nan 0.000 0.466 255 A N 2.198 124.870 122.820 -0.246 0.000 2.455 255 A HA 0.698 5.018 4.320 -0.001 0.000 0.300 255 A C -1.284 176.328 177.584 0.046 0.000 1.040 255 A CA -0.631 51.379 52.037 -0.045 0.000 0.697 255 A CB 1.447 20.581 19.000 0.223 0.000 1.265 255 A HN 0.511 nan 8.150 nan 0.000 0.407 256 L N 2.029 123.309 121.223 0.095 0.000 2.319 256 L HA 0.707 5.047 4.340 -0.001 0.000 0.281 256 L C 0.247 177.080 176.870 -0.060 0.000 1.005 256 L CA -0.280 54.604 54.840 0.074 0.000 0.828 256 L CB 1.687 43.815 42.059 0.115 0.000 1.227 256 L HN 0.887 nan 8.230 nan 0.000 0.415 257 A N 5.350 128.162 122.820 -0.014 0.000 2.374 257 A HA 0.908 5.227 4.320 -0.001 0.000 0.317 257 A C -1.119 176.475 177.584 0.017 0.000 1.094 257 A CA -0.508 51.499 52.037 -0.050 0.000 0.765 257 A CB 1.874 20.978 19.000 0.174 0.000 1.268 257 A HN 0.686 nan 8.150 nan 0.000 0.438 258 I N 0.460 121.026 120.570 -0.006 0.000 2.842 258 I HA 0.330 4.499 4.170 -0.001 0.000 0.297 258 I C -1.010 175.122 176.117 0.025 0.000 1.380 258 I CA -0.609 60.710 61.300 0.033 0.000 1.018 258 I CB 2.321 40.352 38.000 0.053 0.000 1.311 258 I HN 0.951 nan 8.210 nan 0.000 0.439 259 Q N 5.434 125.250 119.800 0.027 0.000 2.222 259 Q HA 0.718 5.058 4.340 -0.001 0.000 0.252 259 Q C -1.808 174.172 176.000 -0.034 0.000 0.926 259 Q CA -0.754 55.050 55.803 0.002 0.000 0.899 259 Q CB 2.391 31.133 28.738 0.008 0.000 1.250 259 Q HN 0.396 nan 8.270 nan 0.000 0.441 260 V N 3.143 123.011 119.914 -0.077 0.000 2.525 260 V HA 0.449 4.569 4.120 -0.001 0.000 0.299 260 V C -2.201 173.784 176.094 -0.181 0.000 1.034 260 V CA -1.890 60.346 62.300 -0.106 0.000 0.863 260 V CB 1.688 33.452 31.823 -0.097 0.000 0.999 260 V HN 0.847 nan 8.190 nan 0.000 0.423 261 P HA 0.218 nan 4.420 nan 0.000 0.274 261 P C -1.000 176.192 177.300 -0.180 0.000 1.237 261 P CA -0.263 62.746 63.100 -0.152 0.000 0.793 261 P CB 0.644 32.309 31.700 -0.058 0.000 0.977 262 Y N 0.156 120.446 120.300 -0.017 0.000 2.480 262 Y HA -0.024 4.526 4.550 -0.001 0.000 0.338 262 Y C 2.297 178.183 175.900 -0.024 0.000 1.220 262 Y CA 0.576 58.663 58.100 -0.021 0.000 1.430 262 Y CB 0.069 38.517 38.460 -0.019 0.000 1.311 262 Y HN 0.401 nan 8.280 nan 0.000 0.575 263 S N -0.377 115.416 115.700 0.154 0.000 2.447 263 S HA -0.050 4.420 4.470 -0.001 0.000 0.233 263 S C 0.019 174.651 174.600 0.054 0.000 1.006 263 S CA 1.063 59.302 58.200 0.066 0.000 0.957 263 S CB -0.427 62.796 63.200 0.040 0.000 0.773 263 S HN 0.794 nan 8.310 nan 0.000 0.507 264 D N -1.496 118.946 120.400 0.069 0.000 2.639 264 D HA 0.438 5.078 4.640 -0.001 0.000 0.271 264 D C 0.495 176.811 176.300 0.026 0.000 1.254 264 D CA -0.239 53.782 54.000 0.035 0.000 0.810 264 D CB 1.174 41.978 40.800 0.007 0.000 1.351 264 D HN 0.043 nan 8.370 nan 0.000 0.427 265 A N -0.428 122.397 122.820 0.008 0.000 2.121 265 A HA 0.046 4.366 4.320 -0.001 0.000 0.218 265 A C 1.642 179.195 177.584 -0.051 0.000 1.154 265 A CA 1.906 53.939 52.037 -0.006 0.000 0.679 265 A CB -1.355 17.643 19.000 -0.004 0.000 0.795 265 A HN 0.805 nan 8.150 nan 0.000 0.458 266 N N -0.346 118.316 118.700 -0.063 0.000 2.238 266 N HA 0.368 5.108 4.740 -0.001 0.000 0.222 266 N C 0.424 175.855 175.510 -0.132 0.000 1.133 266 N CA 0.430 53.428 53.050 -0.087 0.000 0.854 266 N CB -0.007 38.447 38.487 -0.055 0.000 1.041 266 N HN 0.262 nan 8.380 nan 0.000 0.510 267 S N 2.633 118.225 115.700 -0.180 0.000 2.552 267 S HA 0.216 4.686 4.470 -0.001 0.000 0.289 267 S C -2.143 172.258 174.600 -0.331 0.000 1.304 267 S CA -0.618 57.448 58.200 -0.223 0.000 1.063 267 S CB 0.845 63.924 63.200 -0.202 0.000 0.848 267 S HN 0.520 nan 8.310 nan 0.000 0.499 268 P HA 0.162 nan 4.420 nan 0.000 0.268 268 P C -0.737 176.430 177.300 -0.222 0.000 1.205 268 P CA 0.079 63.081 63.100 -0.163 0.000 0.771 268 P CB 0.281 31.937 31.700 -0.073 0.000 0.858 269 I N 1.672 122.145 120.570 -0.162 0.000 2.336 269 I HA 0.351 4.521 4.170 -0.001 0.000 0.292 269 I C 0.846 176.971 176.117 0.013 0.000 0.991 269 I CA -0.991 60.265 61.300 -0.073 0.000 1.227 269 I CB 1.535 39.513 38.000 -0.037 0.000 1.366 269 I HN 0.334 nan 8.210 nan 0.000 0.466 270 A N 4.257 127.096 122.820 0.031 0.000 2.462 270 A HA 0.215 4.534 4.320 -0.001 0.000 0.243 270 A C 1.091 178.730 177.584 0.092 0.000 1.076 270 A CA -0.103 51.944 52.037 0.016 0.000 0.773 270 A CB 0.337 19.242 19.000 -0.158 0.000 1.010 270 A HN 0.806 nan 8.150 nan 0.000 0.493 271 S N -0.154 115.597 115.700 0.084 0.000 2.489 271 S HA 0.018 4.488 4.470 -0.001 0.000 0.228 271 S C 0.354 174.985 174.600 0.053 0.000 0.995 271 S CA 0.506 58.747 58.200 0.068 0.000 0.934 271 S CB -0.396 62.813 63.200 0.015 0.000 0.771 271 S HN 0.750 nan 8.310 nan 0.000 0.522 272 C N 0.757 120.121 119.300 0.106 0.000 2.889 272 C HA 0.520 4.980 4.460 -0.001 0.000 0.307 272 C C 0.501 175.631 174.990 0.233 0.000 1.251 272 C CA -1.075 57.973 59.018 0.051 0.000 1.593 272 C CB 1.500 29.195 27.740 -0.075 0.000 2.104 272 C HN 0.170 nan 8.230 nan 0.000 0.476 273 T N 1.647 116.320 114.554 0.199 0.000 2.916 273 T HA 0.125 4.475 4.350 -0.001 0.000 0.303 273 T C -0.184 174.609 174.700 0.156 0.000 1.025 273 T CA 0.625 62.842 62.100 0.195 0.000 1.142 273 T CB -0.177 68.775 68.868 0.142 0.000 0.947 273 T HN 0.589 nan 8.240 nan 0.000 0.544 274 H N 1.060 120.130 119.070 0.001 0.000 2.458 274 H HA 0.465 5.021 4.556 -0.001 0.000 0.330 274 H C -0.039 175.338 175.328 0.082 0.000 1.111 274 H CA -0.693 55.343 56.048 -0.020 0.000 1.245 274 H CB 1.266 31.077 29.762 0.083 0.000 1.456 274 H HN 0.504 nan 8.280 nan 0.000 0.488 275 S N 2.733 118.480 115.700 0.079 0.000 2.733 275 S HA 0.213 4.683 4.470 -0.001 0.000 0.307 275 S C -0.772 174.156 174.600 0.548 0.000 1.127 275 S CA -0.687 57.735 58.200 0.369 0.000 1.097 275 S CB 0.530 63.724 63.200 -0.010 0.000 1.003 275 S HN 0.614 nan 8.310 nan 0.000 0.477 276 T N 4.511 119.384 114.554 0.531 0.000 2.770 276 T HA 0.616 4.965 4.350 -0.001 0.000 0.297 276 T C 0.357 175.240 174.700 0.306 0.000 0.997 276 T CA -0.364 61.973 62.100 0.395 0.000 0.949 276 T CB 1.161 70.218 68.868 0.316 0.000 0.941 276 T HN 0.858 nan 8.240 nan 0.000 0.457 277 A N 4.192 127.055 122.820 0.073 0.000 2.445 277 A HA 0.513 4.833 4.320 -0.001 0.000 0.242 277 A C 0.290 177.878 177.584 0.007 0.000 1.075 277 A CA -0.250 51.688 52.037 -0.165 0.000 0.777 277 A CB 0.326 18.808 19.000 -0.863 0.000 1.013 277 A HN 0.679 nan 8.150 nan 0.000 0.493 278 Q N 0.742 120.636 119.800 0.156 0.000 2.633 278 Q HA 0.357 4.697 4.340 -0.001 0.000 0.292 278 Q C -2.195 173.985 176.000 0.300 0.000 1.089 278 Q CA -1.820 54.040 55.803 0.096 0.000 0.811 278 Q CB 0.086 28.742 28.738 -0.136 0.000 1.472 278 Q HN 0.355 nan 8.270 nan 0.000 0.464 279 P HA -0.057 nan 4.420 nan 0.000 0.219 279 P C 0.211 177.651 177.300 0.232 0.000 1.146 279 P CA 1.382 64.665 63.100 0.304 0.000 0.808 279 P CB 0.388 32.188 31.700 0.166 0.000 0.779 280 N N -1.425 117.257 118.700 -0.030 0.000 2.451 280 N HA 0.296 5.036 4.740 -0.001 0.000 0.271 280 N C 0.589 175.545 175.510 -0.923 0.000 1.410 280 N CA 0.407 53.044 53.050 -0.689 0.000 0.884 280 N CB 1.807 40.150 38.487 -0.241 0.000 1.332 280 N HN 0.120 nan 8.380 nan 0.000 0.498 281 G N 0.534 109.070 108.800 -0.440 0.000 2.441 281 G HA2 0.138 4.098 3.960 -0.001 0.000 0.222 281 G HA3 0.138 4.098 3.960 -0.001 0.000 0.222 281 G C -2.233 173.009 174.900 0.569 0.000 1.254 281 G CA -0.610 44.561 45.100 0.118 0.000 0.959 281 G HN 0.107 nan 8.290 nan 0.000 0.474 282 W N -0.571 121.007 121.300 0.463 0.000 3.213 282 W HA 0.754 5.414 4.660 -0.001 0.000 0.318 282 W C -1.857 174.878 176.519 0.359 0.000 1.248 282 W CA -1.475 56.080 57.345 0.349 0.000 1.187 282 W CB 0.572 30.299 29.460 0.444 0.000 1.403 282 W HN 0.575 nan 8.180 nan 0.000 0.556 283 I N 2.843 123.571 120.570 0.262 0.000 2.378 283 I HA 0.245 4.415 4.170 -0.001 0.000 0.291 283 I C -0.274 175.941 176.117 0.164 0.000 0.992 283 I CA -0.605 60.617 61.300 -0.130 0.000 1.154 283 I CB 0.981 38.574 38.000 -0.678 0.000 1.315 283 I HN 0.480 nan 8.210 nan 0.000 0.448 284 W N 7.084 128.393 121.300 0.016 0.000 2.303 284 W HA 0.620 5.280 4.660 -0.001 0.000 0.334 284 W C -0.879 175.678 176.519 0.062 0.000 1.197 284 W CA -0.637 56.832 57.345 0.206 0.000 1.262 284 W CB 0.460 30.050 29.460 0.215 0.000 1.153 284 W HN 0.346 nan 8.180 nan 0.000 0.596 285 D N 3.376 124.036 120.400 0.434 0.000 2.470 285 D HA 0.277 4.916 4.640 -0.001 0.000 0.233 285 D C -1.657 174.733 176.300 0.149 0.000 1.372 285 D CA -0.403 53.743 54.000 0.244 0.000 0.994 285 D CB 0.927 41.866 40.800 0.232 0.000 1.377 285 D HN 0.570 nan 8.370 nan 0.000 0.586 286 I N 2.418 123.050 120.570 0.104 0.000 2.355 286 I HA 0.415 4.585 4.170 -0.001 0.000 0.288 286 I C 0.922 176.895 176.117 -0.239 0.000 0.999 286 I CA -0.820 60.339 61.300 -0.235 0.000 1.163 286 I CB 2.071 39.995 38.000 -0.127 0.000 1.316 286 I HN 0.383 nan 8.210 nan 0.000 0.454 287 G N 7.687 116.297 108.800 -0.317 0.000 2.338 287 G HA2 0.568 4.527 3.960 -0.001 0.000 0.295 287 G HA3 0.568 4.527 3.960 -0.001 0.000 0.295 287 G C -0.368 174.569 174.900 0.061 0.000 1.132 287 G CA -0.322 44.766 45.100 -0.020 0.000 0.922 287 G HN 0.418 nan 8.290 nan 0.000 0.427 288 L N 3.310 124.588 121.223 0.092 0.000 2.376 288 L HA 0.353 4.693 4.340 -0.001 0.000 0.267 288 L C -1.342 175.648 176.870 0.200 0.000 1.035 288 L CA -2.279 52.625 54.840 0.106 0.000 0.800 288 L CB 2.132 44.217 42.059 0.044 0.000 1.290 288 L HN 0.258 nan 8.230 nan 0.000 0.462 289 P HA -0.138 nan 4.420 nan 0.000 0.216 289 P C 1.246 178.671 177.300 0.209 0.000 1.150 289 P CA 1.472 64.638 63.100 0.110 0.000 0.837 289 P CB 0.107 31.819 31.700 0.019 0.000 0.786 290 T N -4.200 110.459 114.554 0.176 0.000 3.040 290 T HA 0.177 4.527 4.350 -0.001 0.000 0.252 290 T C 0.778 175.554 174.700 0.127 0.000 1.064 290 T CA -0.111 62.076 62.100 0.144 0.000 1.110 290 T CB -0.135 68.762 68.868 0.048 0.000 0.921 290 T HN 0.217 nan 8.240 nan 0.000 0.480 291 R N -0.626 119.861 120.500 -0.021 0.000 2.764 291 R HA 0.579 4.918 4.340 -0.001 0.000 0.276 291 R C -2.054 173.966 176.300 -0.466 0.000 1.021 291 R CA -1.278 54.592 56.100 -0.383 0.000 0.870 291 R CB 0.920 31.118 30.300 -0.169 0.000 1.293 291 R HN -0.036 nan 8.270 nan 0.000 0.469 292 K N 0.012 120.126 120.400 -0.476 0.000 2.208 292 K HA 0.541 4.861 4.320 -0.001 0.000 0.247 292 K C -0.463 176.085 176.600 -0.088 0.000 0.953 292 K CA -0.894 55.243 56.287 -0.250 0.000 0.837 292 K CB 2.246 34.602 32.500 -0.240 0.000 1.131 292 K HN 0.717 nan 8.250 nan 0.000 0.431 293 G N 0.781 109.594 108.800 0.022 0.000 2.372 293 G HA2 0.544 4.504 3.960 -0.001 0.000 0.323 293 G HA3 0.544 4.504 3.960 -0.001 0.000 0.323 293 G C -1.041 173.963 174.900 0.174 0.000 1.152 293 G CA -0.413 44.774 45.100 0.146 0.000 0.906 293 G HN 0.279 nan 8.290 nan 0.000 0.460 294 V N 0.865 120.754 119.914 -0.042 0.000 2.789 294 V HA 0.941 5.060 4.120 -0.001 0.000 0.311 294 V C 0.353 175.881 176.094 -0.942 0.000 1.073 294 V CA -0.369 61.677 62.300 -0.424 0.000 0.921 294 V CB 2.048 33.774 31.823 -0.162 0.000 1.009 294 V HN 1.166 nan 8.190 nan 0.000 0.426 295 G N 1.726 109.407 108.800 -1.865 0.000 2.746 295 G HA2 0.508 4.468 3.960 -0.001 0.000 0.297 295 G HA3 0.508 4.468 3.960 -0.001 0.000 0.297 295 G C -2.258 171.968 174.900 -1.124 0.000 1.426 295 G CA -0.489 43.478 45.100 -1.888 0.000 0.989 295 G HN 0.465 nan 8.290 nan 0.000 0.520 296 Y N 2.869 122.781 120.300 -0.647 0.000 2.367 296 Y HA 0.554 5.104 4.550 -0.000 0.000 0.342 296 Y C -0.265 175.553 175.900 -0.136 0.000 0.979 296 Y CA -1.425 56.468 58.100 -0.345 0.000 1.161 296 Y CB 1.301 39.638 38.460 -0.204 0.000 1.155 296 Y HN 0.287 nan 8.280 nan 0.000 0.503 297 V N 9.569 129.394 119.914 -0.149 0.000 2.406 297 V HA 0.299 4.419 4.120 -0.001 0.000 0.272 297 V C -0.775 175.163 176.094 -0.261 0.000 1.043 297 V CA -0.276 61.863 62.300 -0.270 0.000 0.915 297 V CB -0.123 31.373 31.823 -0.545 0.000 0.988 297 V HN 0.688 nan 8.190 nan 0.000 0.466 298 Y N 2.011 122.067 120.300 -0.406 0.000 2.670 298 Y HA 0.721 5.271 4.550 -0.000 0.000 0.334 298 Y C -0.390 175.410 175.900 -0.167 0.000 1.185 298 Y CA -1.372 56.449 58.100 -0.465 0.000 1.053 298 Y CB 1.689 39.556 38.460 -0.987 0.000 1.298 298 Y HN 0.345 nan 8.280 nan 0.000 0.459 299 S N 0.845 116.592 115.700 0.080 0.000 2.422 299 S HA 0.290 4.760 4.470 -0.001 0.000 0.308 299 S C 0.792 175.523 174.600 0.220 0.000 1.097 299 S CA -0.032 58.283 58.200 0.193 0.000 1.099 299 S CB 0.330 63.807 63.200 0.462 0.000 0.976 299 S HN 1.007 nan 8.310 nan 0.000 0.471 300 S N 3.546 119.306 115.700 0.101 0.000 2.474 300 S HA -0.109 4.361 4.470 -0.001 0.000 0.235 300 S C 1.677 176.319 174.600 0.069 0.000 0.997 300 S CA 1.076 59.343 58.200 0.111 0.000 0.949 300 S CB -0.581 62.643 63.200 0.040 0.000 0.766 300 S HN 0.912 nan 8.310 nan 0.000 0.517 301 S N 0.037 115.763 115.700 0.043 0.000 2.603 301 S HA 0.150 4.620 4.470 -0.001 0.000 0.220 301 S C 0.994 175.436 174.600 -0.263 0.000 0.967 301 S CA 0.124 58.260 58.200 -0.106 0.000 0.920 301 S CB -0.476 62.616 63.200 -0.181 0.000 0.773 301 S HN 0.722 nan 8.310 nan 0.000 0.529 302 H N -0.014 119.064 119.070 0.013 0.000 2.695 302 H HA 0.396 4.952 4.556 -0.001 0.000 0.267 302 H C 0.480 175.818 175.328 0.018 0.000 0.973 302 H CA 0.800 56.863 56.048 0.026 0.000 1.223 302 H CB 0.906 30.723 29.762 0.091 0.000 1.442 302 H HN 0.386 nan 8.280 nan 0.000 0.478 303 T N 0.600 115.234 114.554 0.133 0.000 2.916 303 T HA 0.300 4.649 4.350 -0.001 0.000 0.305 303 T C -0.914 173.810 174.700 0.039 0.000 1.119 303 T CA -1.047 61.080 62.100 0.045 0.000 1.008 303 T CB 0.892 69.740 68.868 -0.035 0.000 1.129 303 T HN 0.401 nan 8.240 nan 0.000 0.480 304 N N 2.493 121.190 118.700 -0.004 0.000 2.327 304 N HA 0.237 4.977 4.740 -0.001 0.000 0.257 304 N C 0.423 175.903 175.510 -0.051 0.000 1.281 304 N CA -0.168 52.883 53.050 0.001 0.000 0.942 304 N CB 0.274 38.757 38.487 -0.007 0.000 1.199 304 N HN 0.494 nan 8.380 nan 0.000 0.532 305 D N -0.421 119.969 120.400 -0.016 0.000 2.249 305 D HA 0.070 4.710 4.640 -0.001 0.000 0.205 305 D C 1.778 178.011 176.300 -0.112 0.000 0.962 305 D CA 0.493 54.467 54.000 -0.044 0.000 0.860 305 D CB 0.051 40.876 40.800 0.042 0.000 0.955 305 D HN 0.496 nan 8.370 nan 0.000 0.505 306 I N 1.535 122.057 120.570 -0.080 0.000 2.127 306 I HA -0.267 3.902 4.170 -0.001 0.000 0.241 306 I C 1.824 177.865 176.117 -0.125 0.000 1.075 306 I CA 1.257 62.502 61.300 -0.090 0.000 1.334 306 I CB -0.070 37.900 38.000 -0.051 0.000 1.040 306 I HN -0.152 nan 8.210 nan 0.000 0.405 307 D N 0.806 121.137 120.400 -0.114 0.000 2.183 307 D HA -0.089 4.551 4.640 -0.001 0.000 0.203 307 D C 2.227 178.432 176.300 -0.158 0.000 0.969 307 D CA 1.373 55.307 54.000 -0.110 0.000 0.842 307 D CB -0.195 40.562 40.800 -0.072 0.000 0.957 307 D HN 0.344 nan 8.370 nan 0.000 0.484 308 A N 0.765 123.423 122.820 -0.271 0.000 1.902 308 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 308 A C 2.138 179.582 177.584 -0.232 0.000 1.181 308 A CA 1.690 53.502 52.037 -0.375 0.000 0.623 308 A CB -0.684 17.581 19.000 -1.225 0.000 0.818 308 A HN 0.233 nan 8.150 nan 0.000 0.443 309 Q N -0.600 119.014 119.800 -0.309 0.000 2.084 309 Q HA -0.253 4.087 4.340 -0.001 0.000 0.202 309 Q C 2.077 177.732 176.000 -0.574 0.000 0.978 309 Q CA 2.002 57.510 55.803 -0.492 0.000 0.844 309 Q CB -0.109 28.313 28.738 -0.526 0.000 0.898 309 Q HN 0.459 nan 8.270 nan 0.000 0.426 310 K N -0.104 120.102 120.400 -0.323 0.000 2.063 310 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 310 K C 1.884 178.416 176.600 -0.114 0.000 1.048 310 K CA 2.203 58.386 56.287 -0.174 0.000 0.928 310 K CB -0.661 31.789 32.500 -0.084 0.000 0.713 310 K HN 0.207 nan 8.250 nan 0.000 0.442 311 T N 1.407 115.876 114.554 -0.141 0.000 2.746 311 T HA -0.146 4.203 4.350 -0.001 0.000 0.267 311 T C 1.586 176.173 174.700 -0.188 0.000 1.039 311 T CA 1.368 63.365 62.100 -0.173 0.000 1.142 311 T CB -0.329 68.385 68.868 -0.257 0.000 0.866 311 T HN 0.177 nan 8.240 nan 0.000 0.444 312 L N 0.712 121.813 121.223 -0.203 0.000 1.989 312 L HA -0.026 4.313 4.340 -0.001 0.000 0.211 312 L C 1.970 178.941 176.870 0.169 0.000 1.071 312 L CA 1.849 56.633 54.840 -0.093 0.000 0.749 312 L CB -1.002 40.999 42.059 -0.098 0.000 0.890 312 L HN 0.133 nan 8.230 nan 0.000 0.431 313 F N 0.355 120.291 119.950 -0.022 0.000 2.171 313 F HA -0.171 4.356 4.527 -0.001 0.000 0.300 313 F C 2.430 178.224 175.800 -0.010 0.000 1.090 313 F CA 0.926 58.920 58.000 -0.011 0.000 1.293 313 F CB -1.658 37.332 39.000 -0.017 0.000 1.013 313 F HN 0.282 nan 8.300 nan 0.000 0.486 314 N N -0.413 118.388 118.700 0.168 0.000 2.104 314 N HA -0.251 4.488 4.740 -0.001 0.000 0.190 314 N C 1.898 177.448 175.510 0.066 0.000 1.024 314 N CA 1.293 54.391 53.050 0.080 0.000 0.853 314 N CB -1.142 37.367 38.487 0.036 0.000 1.008 314 N HN 0.351 nan 8.380 nan 0.000 0.424 315 Y N 1.471 121.751 120.300 -0.034 0.000 2.165 315 Y HA -0.072 4.478 4.550 -0.000 0.000 0.286 315 Y C 2.017 177.907 175.900 -0.018 0.000 1.155 315 Y CA 1.373 59.448 58.100 -0.042 0.000 1.164 315 Y CB -0.305 38.101 38.460 -0.090 0.000 0.978 315 Y HN -0.005 nan 8.280 nan 0.000 0.513 316 L N -0.427 120.839 121.223 0.071 0.000 2.376 316 L HA 0.054 4.394 4.340 -0.001 0.000 0.219 316 L C 1.748 178.567 176.870 -0.085 0.000 1.133 316 L CA 0.850 55.678 54.840 -0.019 0.000 0.816 316 L CB -0.837 41.259 42.059 0.061 0.000 0.933 316 L HN 0.521 nan 8.230 nan 0.000 0.449 317 G N 0.925 109.689 108.800 -0.060 0.000 2.160 317 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.244 317 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.244 317 G C 0.090 174.956 174.900 -0.056 0.000 1.022 317 G CA 0.223 45.286 45.100 -0.062 0.000 0.741 317 G HN 0.298 nan 8.290 nan 0.000 0.508 318 V N -2.070 117.810 119.914 -0.057 0.000 2.555 318 V HA 0.956 5.075 4.120 -0.001 0.000 0.302 318 V C -0.252 175.798 176.094 -0.072 0.000 1.038 318 V CA -0.316 61.920 62.300 -0.106 0.000 0.887 318 V CB 2.193 33.883 31.823 -0.221 0.000 0.991 318 V HN 0.624 nan 8.190 nan 0.000 0.434 319 D N 2.134 122.495 120.400 -0.065 0.000 2.744 319 D HA 0.788 5.428 4.640 -0.001 0.000 0.304 319 D C 0.535 176.812 176.300 -0.039 0.000 1.179 319 D CA 0.151 54.138 54.000 -0.023 0.000 1.024 319 D CB 0.995 41.801 40.800 0.010 0.000 1.453 319 D HN 1.663 nan 8.370 nan 0.000 0.529 320 G N -0.219 108.576 108.800 -0.008 0.000 2.582 320 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.288 320 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.288 320 G C 1.095 175.979 174.900 -0.027 0.000 1.247 320 G CA 1.751 46.844 45.100 -0.012 0.000 0.972 320 G HN 1.435 nan 8.290 nan 0.000 0.557 321 A N -0.613 122.189 122.820 -0.030 0.000 1.969 321 A HA 0.381 4.701 4.320 -0.001 0.000 0.218 321 A C 2.968 180.516 177.584 -0.060 0.000 1.169 321 A CA 3.128 55.145 52.037 -0.033 0.000 0.635 321 A CB -0.933 18.052 19.000 -0.026 0.000 0.810 321 A HN 2.252 nan 8.150 nan 0.000 0.445 322 A N 0.119 122.892 122.820 -0.079 0.000 1.877 322 A HA 0.134 4.453 4.320 -0.001 0.000 0.216 322 A C 2.503 179.972 177.584 -0.192 0.000 1.186 322 A CA 2.083 54.051 52.037 -0.115 0.000 0.620 322 A CB -1.036 17.897 19.000 -0.113 0.000 0.822 322 A HN 1.045 nan 8.150 nan 0.000 0.443 323 A N -0.006 122.673 122.820 -0.235 0.000 1.933 323 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 323 A C 1.685 179.122 177.584 -0.245 0.000 1.175 323 A CA 1.806 53.577 52.037 -0.445 0.000 0.628 323 A CB -0.577 18.233 19.000 -0.317 0.000 0.814 323 A HN 0.476 nan 8.150 nan 0.000 0.444 324 D N -0.173 120.179 120.400 -0.080 0.000 2.218 324 D HA -0.067 4.572 4.640 -0.001 0.000 0.204 324 D C 2.145 178.434 176.300 -0.018 0.000 0.976 324 D CA 1.881 55.879 54.000 -0.004 0.000 0.853 324 D CB -0.183 40.619 40.800 0.004 0.000 0.939 324 D HN 0.599 nan 8.370 nan 0.000 0.481 325 K N 0.533 120.895 120.400 -0.063 0.000 2.366 325 K HA 0.077 4.397 4.320 -0.001 0.000 0.198 325 K C 1.385 177.955 176.600 -0.050 0.000 1.044 325 K CA 0.250 56.507 56.287 -0.049 0.000 0.973 325 K CB -0.733 31.731 32.500 -0.059 0.000 0.767 325 K HN 0.168 nan 8.250 nan 0.000 0.475 326 L N 1.484 122.647 121.223 -0.100 0.000 2.426 326 L HA 0.191 4.530 4.340 -0.001 0.000 0.271 326 L C 0.031 176.940 176.870 0.066 0.000 1.169 326 L CA -0.143 54.656 54.840 -0.067 0.000 0.836 326 L CB 1.120 43.030 42.059 -0.249 0.000 1.112 326 L HN 0.385 nan 8.230 nan 0.000 0.465 327 E N 3.319 123.563 120.200 0.075 0.000 3.303 327 E HA 0.240 4.590 4.350 -0.001 0.000 0.215 327 E C -2.284 174.379 176.600 0.104 0.000 1.181 327 E CA -1.576 54.879 56.400 0.091 0.000 0.998 327 E CB 0.662 30.395 29.700 0.056 0.000 1.312 327 E HN 0.402 nan 8.360 nan 0.000 0.412 328 P HA 0.127 nan 4.420 nan 0.000 0.272 328 P C -0.225 177.124 177.300 0.081 0.000 1.223 328 P CA -0.126 63.044 63.100 0.117 0.000 0.784 328 P CB 0.604 32.382 31.700 0.130 0.000 0.923 329 R N 1.262 121.806 120.500 0.073 0.000 2.393 329 R HA 0.409 4.748 4.340 -0.001 0.000 0.310 329 R C -0.122 176.221 176.300 0.072 0.000 0.968 329 R CA -0.803 55.339 56.100 0.071 0.000 0.867 329 R CB 0.378 30.725 30.300 0.078 0.000 1.124 329 R HN 0.583 nan 8.270 nan 0.000 0.450 330 Q N 1.607 121.445 119.800 0.063 0.000 2.278 330 Q HA 0.609 4.948 4.340 -0.001 0.000 0.257 330 Q C -1.321 174.709 176.000 0.050 0.000 0.928 330 Q CA -0.492 55.347 55.803 0.060 0.000 0.932 330 Q CB 1.489 30.259 28.738 0.053 0.000 1.221 330 Q HN 0.639 nan 8.270 nan 0.000 0.434 331 L N 3.182 124.432 121.223 0.045 0.000 2.362 331 L HA 0.952 5.291 4.340 -0.001 0.000 0.271 331 L C -1.515 175.359 176.870 0.006 0.000 1.002 331 L CA -0.413 54.452 54.840 0.042 0.000 0.818 331 L CB 2.031 44.140 42.059 0.083 0.000 1.298 331 L HN 0.722 nan 8.230 nan 0.000 0.420 332 A N 5.737 128.563 122.820 0.009 0.000 2.350 332 A HA 0.903 5.222 4.320 -0.001 0.000 0.324 332 A C -0.840 176.765 177.584 0.034 0.000 1.118 332 A CA -0.476 51.558 52.037 -0.004 0.000 0.783 332 A CB 1.005 19.998 19.000 -0.010 0.000 1.236 332 A HN 0.912 nan 8.150 nan 0.000 0.457 333 I N -1.336 119.268 120.570 0.056 0.000 3.191 333 I HA 0.629 4.799 4.170 -0.001 0.000 0.313 333 I C -1.140 175.034 176.117 0.095 0.000 1.193 333 I CA -1.091 60.271 61.300 0.104 0.000 0.968 333 I CB 2.410 40.554 38.000 0.240 0.000 1.262 333 I HN 0.455 nan 8.210 nan 0.000 0.456 334 N N 3.806 122.567 118.700 0.101 0.000 2.558 334 N HA 0.494 5.234 4.740 -0.001 0.000 0.242 334 N C -2.724 172.967 175.510 0.301 0.000 0.979 334 N CA -2.232 50.908 53.050 0.149 0.000 0.931 334 N CB 1.159 39.693 38.487 0.078 0.000 1.122 334 N HN 0.413 nan 8.380 nan 0.000 0.508 335 P HA 0.309 nan 4.420 nan 0.000 0.267 335 P C 0.148 177.624 177.300 0.292 0.000 1.205 335 P CA 0.240 63.514 63.100 0.290 0.000 0.765 335 P CB 0.897 32.714 31.700 0.195 0.000 0.828 336 G N 2.051 110.998 108.800 0.246 0.000 2.333 336 G HA2 0.452 4.412 3.960 -0.001 0.000 0.288 336 G HA3 0.452 4.412 3.960 -0.001 0.000 0.288 336 G C -2.204 172.381 174.900 -0.526 0.000 1.286 336 G CA -0.772 44.160 45.100 -0.279 0.000 0.865 336 G HN 0.578 nan 8.290 nan 0.000 0.506 337 Y N -1.167 118.429 120.300 -1.174 0.000 2.571 337 Y HA 0.870 5.420 4.550 -0.001 0.000 0.341 337 Y C -0.022 175.477 175.900 -0.668 0.000 1.076 337 Y CA -1.721 55.792 58.100 -0.978 0.000 1.029 337 Y CB 1.002 38.384 38.460 -1.797 0.000 1.308 337 Y HN 0.563 nan 8.280 nan 0.000 0.461 338 R N 1.022 121.497 120.500 -0.041 0.000 2.594 338 R HA 0.362 4.702 4.340 -0.001 0.000 0.272 338 R C 0.927 177.311 176.300 0.140 0.000 1.074 338 R CA 0.498 56.642 56.100 0.074 0.000 1.105 338 R CB 1.133 31.555 30.300 0.203 0.000 1.008 338 R HN 1.087 nan 8.270 nan 0.000 0.472 339 A N 2.783 125.636 122.820 0.055 0.000 1.972 339 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 339 A C 0.271 178.028 177.584 0.289 0.000 1.169 339 A CA 1.410 53.513 52.037 0.110 0.000 0.635 339 A CB 0.083 19.104 19.000 0.036 0.000 0.810 339 A HN 0.586 nan 8.150 nan 0.000 0.446 340 K N -2.301 118.227 120.400 0.214 0.000 2.443 340 K HA 0.387 4.706 4.320 -0.001 0.000 0.251 340 K C 0.313 176.809 176.600 -0.174 0.000 0.972 340 K CA -0.136 56.215 56.287 0.106 0.000 0.833 340 K CB 1.695 34.249 32.500 0.090 0.000 1.317 340 K HN 0.275 nan 8.250 nan 0.000 0.441 341 C N -0.712 118.251 119.300 -0.561 0.000 2.735 341 C HA 0.344 4.804 4.460 -0.001 0.000 0.271 341 C C 0.081 175.057 174.990 -0.023 0.000 1.281 341 C CA -0.562 58.201 59.018 -0.426 0.000 1.719 341 C CB -0.363 26.994 27.740 -0.637 0.000 2.024 341 C HN 0.725 nan 8.230 nan 0.000 0.566 342 W N 2.591 123.816 121.300 -0.125 0.000 2.647 342 W HA 0.642 5.301 4.660 -0.001 0.000 0.328 342 W C -1.266 175.243 176.519 -0.016 0.000 1.018 342 W CA -0.903 56.415 57.345 -0.046 0.000 1.245 342 W CB 0.914 30.354 29.460 -0.033 0.000 1.356 342 W HN 0.311 nan 8.180 nan 0.000 0.443 343 Q N 5.104 125.162 119.800 0.430 0.000 2.323 343 Q HA 0.406 4.745 4.340 -0.001 0.000 0.271 343 Q C 0.345 176.514 176.000 0.281 0.000 1.048 343 Q CA 0.031 55.985 55.803 0.251 0.000 0.792 343 Q CB 1.282 30.105 28.738 0.142 0.000 1.280 343 Q HN 0.670 nan 8.270 nan 0.000 0.441 344 N N 1.816 120.635 118.700 0.198 0.000 1.241 344 N HA -0.330 4.409 4.740 -0.001 0.000 0.135 344 N C -0.441 175.278 175.510 0.348 0.000 0.723 344 N CA 2.238 55.403 53.050 0.192 0.000 0.950 344 N CB -0.919 37.654 38.487 0.143 0.000 1.215 344 N HN 0.907 nan 8.380 nan 0.000 0.520 345 N N 0.387 119.268 118.700 0.303 0.000 2.380 345 N HA 0.242 4.981 4.740 -0.001 0.000 0.255 345 N C -1.193 174.457 175.510 0.233 0.000 1.158 345 N CA -0.170 53.086 53.050 0.344 0.000 0.878 345 N CB -0.123 38.533 38.487 0.283 0.000 1.138 345 N HN 0.531 nan 8.380 nan 0.000 0.509 346 C N 0.897 120.294 119.300 0.161 0.000 2.396 346 C HA 0.681 5.141 4.460 -0.001 0.000 0.321 346 C C -0.753 174.122 174.990 -0.192 0.000 1.233 346 C CA -0.872 58.155 59.018 0.016 0.000 1.440 346 C CB -0.332 27.454 27.740 0.078 0.000 2.110 346 C HN 0.415 nan 8.230 nan 0.000 0.473 347 I N 5.439 125.787 120.570 -0.370 0.000 2.406 347 I HA 0.544 4.714 4.170 -0.001 0.000 0.290 347 I C 0.470 176.471 176.117 -0.194 0.000 0.999 347 I CA -0.208 60.834 61.300 -0.429 0.000 1.124 347 I CB 1.745 39.309 38.000 -0.728 0.000 1.289 347 I HN 0.794 nan 8.210 nan 0.000 0.441 348 A N 7.934 130.701 122.820 -0.090 0.000 2.301 348 A HA 0.834 5.154 4.320 -0.001 0.000 0.298 348 A C -0.511 177.092 177.584 0.033 0.000 1.185 348 A CA -0.284 51.749 52.037 -0.007 0.000 0.830 348 A CB 0.370 19.402 19.000 0.053 0.000 1.112 348 A HN 0.681 nan 8.150 nan 0.000 0.508 349 I N 1.928 122.523 120.570 0.041 0.000 2.533 349 I HA 0.624 4.794 4.170 -0.001 0.000 0.290 349 I C 0.573 176.757 176.117 0.111 0.000 1.056 349 I CA -0.050 61.296 61.300 0.077 0.000 1.057 349 I CB 1.945 39.943 38.000 -0.003 0.000 1.240 349 I HN 1.164 nan 8.210 nan 0.000 0.423 353 A N -0.085 122.893 122.820 0.263 0.000 1.911 353 A HA 0.579 4.898 4.320 -0.001 0.000 0.212 353 A C 1.378 179.207 177.584 0.408 0.000 1.189 353 A CA 1.790 54.033 52.037 0.344 0.000 0.639 353 A CB -0.245 19.022 19.000 0.446 0.000 0.839 353 A HN 2.117 nan 8.150 nan 0.000 0.449 354 G N -2.700 106.379 108.800 0.465 0.000 2.368 354 G HA2 0.467 4.427 3.960 -0.001 0.000 0.293 354 G HA3 0.467 4.427 3.960 -0.001 0.000 0.293 354 G C -1.817 173.473 174.900 0.651 0.000 1.467 354 G CA -0.237 45.092 45.100 0.382 0.000 0.804 354 G HN 0.753 nan 8.290 nan 0.000 0.535 355 F N 0.868 121.054 119.950 0.394 0.000 2.669 355 F HA 0.672 5.199 4.527 -0.001 0.000 0.315 355 F C -1.155 174.904 175.800 0.431 0.000 1.109 355 F CA -1.058 57.217 58.000 0.459 0.000 1.028 355 F CB 1.646 40.833 39.000 0.311 0.000 1.287 355 F HN 0.766 nan 8.300 nan 0.000 0.452 356 I N 1.685 122.068 120.570 -0.312 0.000 3.322 356 I HA 0.507 4.677 4.170 -0.001 0.000 0.313 356 I C -0.676 175.069 176.117 -0.620 0.000 1.129 356 I CA -0.915 60.248 61.300 -0.229 0.000 0.963 356 I CB 1.536 39.626 38.000 0.150 0.000 1.273 356 I HN 0.770 nan 8.210 nan 0.000 0.473 357 E N 3.179 123.301 120.200 -0.129 0.000 2.467 357 E HA 0.063 4.413 4.350 -0.001 0.000 0.264 357 E C -1.998 174.653 176.600 0.086 0.000 1.020 357 E CA -0.964 55.464 56.400 0.047 0.000 0.945 357 E CB -0.105 29.797 29.700 0.337 0.000 0.942 357 E HN 0.498 nan 8.360 nan 0.000 0.449 358 P HA 0.037 nan 4.420 nan 0.000 0.259 358 P C -0.131 177.409 177.300 0.400 0.000 1.480 358 P CA -0.193 63.040 63.100 0.221 0.000 0.842 358 P CB -0.145 31.595 31.700 0.067 0.000 1.513 359 L N 1.341 122.837 121.223 0.456 0.000 2.534 359 L HA 0.045 4.385 4.340 -0.001 0.000 0.271 359 L C 1.005 177.890 176.870 0.025 0.000 1.178 359 L CA 1.056 55.942 54.840 0.076 0.000 0.907 359 L CB -0.756 41.233 42.059 -0.117 0.000 1.164 359 L HN 0.043 nan 8.230 nan 0.000 0.482 360 E N 3.299 123.534 120.200 0.057 0.000 3.496 360 E HA -0.307 4.043 4.350 -0.001 0.000 0.300 360 E C 0.624 177.583 176.600 0.599 0.000 0.877 360 E CA 0.896 57.492 56.400 0.326 0.000 1.050 360 E CB -2.002 27.868 29.700 0.284 0.000 1.532 360 E HN 1.220 nan 8.360 nan 0.000 0.447 361 A N -0.174 122.888 122.820 0.403 0.000 2.519 361 A HA -0.279 4.041 4.320 -0.001 0.000 0.297 361 A C 1.519 179.391 177.584 0.480 0.000 1.472 361 A CA 1.531 53.818 52.037 0.416 0.000 0.739 361 A CB -2.145 17.091 19.000 0.393 0.000 1.096 361 A HN 0.974 nan 8.150 nan 0.000 0.414 362 S N -0.925 114.962 115.700 0.313 0.000 2.496 362 S HA 0.308 4.777 4.470 -0.001 0.000 0.224 362 S C 1.872 176.528 174.600 0.093 0.000 0.996 362 S CA 1.118 59.391 58.200 0.122 0.000 0.927 362 S CB -0.176 63.020 63.200 -0.007 0.000 0.774 362 S HN 2.005 nan 8.310 nan 0.000 0.524 363 A N 2.497 125.445 122.820 0.214 0.000 1.841 363 A HA 0.178 4.498 4.320 -0.001 0.000 0.214 363 A C 2.233 179.954 177.584 0.230 0.000 1.195 363 A CA 1.312 53.517 52.037 0.280 0.000 0.611 363 A CB -0.920 18.323 19.000 0.406 0.000 0.835 363 A HN 0.506 nan 8.150 nan 0.000 0.443 364 L N -0.729 120.633 121.223 0.231 0.000 2.093 364 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 364 L C 3.068 180.032 176.870 0.156 0.000 1.085 364 L CA 0.840 55.808 54.840 0.213 0.000 0.755 364 L CB -0.465 41.748 42.059 0.255 0.000 0.904 364 L HN 0.451 nan 8.230 nan 0.000 0.435 365 A N 0.137 123.025 122.820 0.113 0.000 1.908 365 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 365 A C 2.247 179.805 177.584 -0.043 0.000 1.181 365 A CA 1.546 53.564 52.037 -0.032 0.000 0.627 365 A CB -0.667 18.175 19.000 -0.264 0.000 0.818 365 A HN 0.363 nan 8.150 nan 0.000 0.445 366 L N -0.778 120.433 121.223 -0.020 0.000 2.056 366 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 366 L C 2.492 179.498 176.870 0.226 0.000 1.078 366 L CA 1.159 56.050 54.840 0.085 0.000 0.749 366 L CB -0.452 41.656 42.059 0.081 0.000 0.901 366 L HN 0.383 nan 8.230 nan 0.000 0.433 367 I N -0.195 120.481 120.570 0.176 0.000 2.127 367 I HA -0.329 3.841 4.170 -0.001 0.000 0.241 367 I C 2.484 178.654 176.117 0.089 0.000 1.075 367 I CA 1.532 62.915 61.300 0.138 0.000 1.334 367 I CB -0.323 37.754 38.000 0.128 0.000 1.040 367 I HN 0.289 nan 8.210 nan 0.000 0.405 368 E N -0.215 120.038 120.200 0.090 0.000 2.058 368 E HA -0.301 4.049 4.350 -0.001 0.000 0.194 368 E C 1.897 178.518 176.600 0.034 0.000 0.997 368 E CA 1.879 58.310 56.400 0.051 0.000 0.801 368 E CB -0.336 29.395 29.700 0.052 0.000 0.746 368 E HN 0.589 nan 8.360 nan 0.000 0.450 369 W N 1.837 123.102 121.300 -0.058 0.000 2.355 369 W HA -0.190 4.470 4.660 -0.001 0.000 0.309 369 W C 2.187 178.722 176.519 0.026 0.000 1.206 369 W CA 2.253 59.569 57.345 -0.049 0.000 1.284 369 W CB -0.564 28.811 29.460 -0.141 0.000 1.145 369 W HN -0.108 nan 8.180 nan 0.000 0.502 370 T N 0.697 115.110 114.554 -0.236 0.000 2.777 370 T HA -0.126 4.224 4.350 -0.001 0.000 0.266 370 T C 1.995 176.450 174.700 -0.409 0.000 1.040 370 T CA 1.972 63.749 62.100 -0.538 0.000 1.141 370 T CB -1.033 67.794 68.868 -0.069 0.000 0.868 370 T HN 0.252 nan 8.240 nan 0.000 0.444 371 A N 1.534 124.223 122.820 -0.218 0.000 1.898 371 A HA -0.045 4.274 4.320 -0.001 0.000 0.216 371 A C 2.611 180.089 177.584 -0.176 0.000 1.181 371 A CA 1.736 53.671 52.037 -0.170 0.000 0.620 371 A CB -0.804 18.138 19.000 -0.096 0.000 0.819 371 A HN 0.431 nan 8.150 nan 0.000 0.442 372 S N -0.143 115.446 115.700 -0.185 0.000 2.368 372 S HA -0.151 4.319 4.470 -0.001 0.000 0.224 372 S C 2.242 176.732 174.600 -0.184 0.000 1.029 372 S CA 1.917 60.029 58.200 -0.147 0.000 0.988 372 S CB -0.675 62.460 63.200 -0.108 0.000 0.838 372 S HN 0.900 nan 8.310 nan 0.000 0.462 373 T N 1.131 115.473 114.554 -0.354 0.000 2.777 373 T HA -0.003 4.347 4.350 -0.001 0.000 0.266 373 T C 1.793 176.397 174.700 -0.161 0.000 1.040 373 T CA 1.032 62.949 62.100 -0.306 0.000 1.141 373 T CB -0.606 67.921 68.868 -0.569 0.000 0.868 373 T HN 0.210 nan 8.240 nan 0.000 0.444 374 L N 1.970 123.075 121.223 -0.197 0.000 2.046 374 L HA 0.202 4.542 4.340 -0.001 0.000 0.208 374 L C 2.839 179.695 176.870 -0.024 0.000 1.077 374 L CA 1.894 56.671 54.840 -0.106 0.000 0.747 374 L CB -1.231 40.696 42.059 -0.219 0.000 0.896 374 L HN 0.359 nan 8.230 nan 0.000 0.432 375 A N -1.217 121.590 122.820 -0.021 0.000 1.930 375 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 375 A C 2.181 179.852 177.584 0.145 0.000 1.175 375 A CA 1.730 53.827 52.037 0.101 0.000 0.627 375 A CB -0.528 18.495 19.000 0.038 0.000 0.815 375 A HN 0.679 nan 8.150 nan 0.000 0.443 376 Q N -0.972 118.850 119.800 0.038 0.000 2.378 376 Q HA -0.012 4.327 4.340 -0.001 0.000 0.205 376 Q C 0.620 176.660 176.000 0.068 0.000 0.954 376 Q CA 0.838 56.660 55.803 0.032 0.000 0.901 376 Q CB 0.141 28.880 28.738 0.002 0.000 0.981 376 Q HN 0.724 nan 8.270 nan 0.000 0.483 377 Q N 0.589 120.437 119.800 0.082 0.000 2.158 377 Q HA 0.180 4.519 4.340 -0.001 0.000 0.306 377 Q C -0.915 175.159 176.000 0.123 0.000 0.878 377 Q CA -0.356 55.504 55.803 0.096 0.000 1.136 377 Q CB 0.662 29.458 28.738 0.097 0.000 1.253 377 Q HN 0.157 nan 8.270 nan 0.000 0.441 378 L N 2.885 124.175 121.223 0.112 0.000 2.660 378 L HA 0.084 4.423 4.340 -0.001 0.000 0.272 378 L C -2.395 174.514 176.870 0.065 0.000 1.194 378 L CA -0.797 54.073 54.840 0.049 0.000 0.945 378 L CB 0.224 42.219 42.059 -0.106 0.000 1.212 378 L HN -0.050 nan 8.230 nan 0.000 0.490 379 P HA 0.127 nan 4.420 nan 0.000 0.267 379 P C -2.177 175.144 177.300 0.036 0.000 1.205 379 P CA -1.031 62.118 63.100 0.082 0.000 0.765 379 P CB 0.284 32.063 31.700 0.131 0.000 0.828 380 P HA -0.157 nan 4.420 nan 0.000 0.216 380 P C -0.114 177.192 177.300 0.009 0.000 1.150 380 P CA 1.669 64.775 63.100 0.012 0.000 0.837 380 P CB 0.020 31.727 31.700 0.011 0.000 0.786 381 N N -4.665 114.045 118.700 0.016 0.000 3.227 381 N HA 0.289 5.029 4.740 -0.001 0.000 0.241 381 N C -0.751 174.775 175.510 0.027 0.000 1.480 381 N CA -1.027 52.034 53.050 0.018 0.000 0.886 381 N CB 0.511 39.005 38.487 0.011 0.000 1.406 381 N HN -0.356 nan 8.380 nan 0.000 0.514 387 T N 1.205 115.653 114.554 -0.177 0.000 2.746 387 T HA 0.014 4.363 4.350 -0.001 0.000 0.267 387 T C 2.129 176.724 174.700 -0.175 0.000 1.039 387 T CA 0.926 62.943 62.100 -0.139 0.000 1.142 387 T CB 0.007 68.821 68.868 -0.089 0.000 0.866 387 T HN 0.166 nan 8.240 nan 0.000 0.444 388 I N 1.660 122.090 120.570 -0.234 0.000 2.233 388 I HA -0.153 4.017 4.170 -0.001 0.000 0.243 388 I C 2.829 178.667 176.117 -0.465 0.000 1.093 388 I CA 1.264 62.410 61.300 -0.257 0.000 1.380 388 I CB -0.407 37.474 38.000 -0.199 0.000 1.067 388 I HN 0.310 nan 8.210 nan 0.000 0.413 389 S N 1.450 116.616 115.700 -0.890 0.000 2.382 389 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 389 S C 2.231 176.596 174.600 -0.392 0.000 1.027 389 S CA 0.893 58.437 58.200 -1.094 0.000 0.991 389 S CB -0.596 61.581 63.200 -1.706 0.000 0.823 389 S HN 0.394 nan 8.310 nan 0.000 0.469 390 A N 3.758 126.411 122.820 -0.277 0.000 1.902 390 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 390 A C 2.445 179.998 177.584 -0.052 0.000 1.181 390 A CA 1.636 53.599 52.037 -0.122 0.000 0.623 390 A CB -0.768 18.170 19.000 -0.102 0.000 0.818 390 A HN 0.795 nan 8.150 nan 0.000 0.443 391 R N -0.642 119.826 120.500 -0.054 0.000 2.115 391 R HA 0.002 4.342 4.340 -0.001 0.000 0.226 391 R C 1.685 178.037 176.300 0.087 0.000 1.100 391 R CA 1.495 57.600 56.100 0.009 0.000 0.980 391 R CB -0.919 29.385 30.300 0.007 0.000 0.875 391 R HN 0.235 nan 8.270 nan 0.000 0.445 392 V N 2.650 122.630 119.914 0.110 0.000 2.343 392 V HA -0.230 3.890 4.120 -0.001 0.000 0.247 392 V C 1.908 178.222 176.094 0.366 0.000 1.051 392 V CA 1.949 64.422 62.300 0.289 0.000 1.036 392 V CB -0.685 31.342 31.823 0.340 0.000 0.654 392 V HN 0.397 nan 8.190 nan 0.000 0.451 393 N N 0.147 118.989 118.700 0.237 0.000 2.104 393 N HA -0.222 4.518 4.740 -0.001 0.000 0.190 393 N C 1.925 177.586 175.510 0.251 0.000 1.024 393 N CA 1.826 55.032 53.050 0.260 0.000 0.853 393 N CB -0.273 38.303 38.487 0.150 0.000 1.008 393 N HN 0.717 nan 8.380 nan 0.000 0.424 394 E N 0.673 120.947 120.200 0.124 0.000 2.077 394 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 394 E C 2.042 178.605 176.600 -0.063 0.000 0.989 394 E CA 1.022 57.441 56.400 0.032 0.000 0.800 394 E CB 0.066 29.762 29.700 -0.007 0.000 0.746 394 E HN 0.045 nan 8.360 nan 0.000 0.452 395 R N -0.191 120.288 120.500 -0.034 0.000 2.075 395 R HA -0.184 4.156 4.340 -0.001 0.000 0.232 395 R C 2.220 178.226 176.300 -0.490 0.000 1.126 395 R CA 1.875 57.801 56.100 -0.290 0.000 0.963 395 R CB -1.181 29.107 30.300 -0.021 0.000 0.858 395 R HN 0.422 nan 8.270 nan 0.000 0.435 396 Y N 1.099 121.311 120.300 -0.148 0.000 2.114 396 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 396 Y C 1.954 177.832 175.900 -0.036 0.000 1.165 396 Y CA 2.416 60.489 58.100 -0.044 0.000 1.148 396 Y CB -0.287 38.405 38.460 0.387 0.000 0.972 396 Y HN 0.239 nan 8.280 nan 0.000 0.504 397 Q N -0.090 119.701 119.800 -0.015 0.000 2.084 397 Q HA -0.250 4.090 4.340 -0.001 0.000 0.202 397 Q C 2.323 178.177 176.000 -0.242 0.000 0.978 397 Q CA 2.040 57.783 55.803 -0.100 0.000 0.844 397 Q CB -0.214 28.563 28.738 0.065 0.000 0.898 397 Q HN 0.651 nan 8.270 nan 0.000 0.426 398 Q N -0.632 118.933 119.800 -0.391 0.000 2.084 398 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 398 Q C 1.990 177.727 176.000 -0.437 0.000 0.978 398 Q CA 1.163 56.638 55.803 -0.548 0.000 0.844 398 Q CB -0.063 27.993 28.738 -1.138 0.000 0.898 398 Q HN 0.480 nan 8.270 nan 0.000 0.426 399 H N -1.016 117.732 119.070 -0.536 0.000 2.321 399 H HA -0.146 4.409 4.556 -0.001 0.000 0.300 399 H C 1.545 176.534 175.328 -0.565 0.000 1.087 399 H CA 1.137 56.834 56.048 -0.586 0.000 1.319 399 H CB -0.472 28.761 29.762 -0.881 0.000 1.379 399 H HN 0.388 nan 8.280 nan 0.000 0.501 400 W N 1.506 122.502 121.300 -0.506 0.000 2.388 400 W HA -0.130 4.530 4.660 -0.000 0.000 0.294 400 W C 2.892 179.169 176.519 -0.403 0.000 1.212 400 W CA 1.203 58.134 57.345 -0.690 0.000 1.271 400 W CB -0.125 28.372 29.460 -1.604 0.000 1.126 400 W HN 0.265 nan 8.180 nan 0.000 0.535 401 Q N 0.403 120.158 119.800 -0.074 0.000 2.084 401 Q HA -0.301 4.039 4.340 -0.001 0.000 0.202 401 Q C 2.290 178.355 176.000 0.108 0.000 0.978 401 Q CA 1.833 57.662 55.803 0.044 0.000 0.844 401 Q CB -0.410 28.343 28.738 0.026 0.000 0.898 401 Q HN 0.349 nan 8.270 nan 0.000 0.426 402 Q N 0.039 119.903 119.800 0.107 0.000 2.084 402 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 402 Q C 2.073 178.272 176.000 0.332 0.000 0.978 402 Q CA 1.431 57.388 55.803 0.257 0.000 0.844 402 Q CB -0.056 28.861 28.738 0.298 0.000 0.898 402 Q HN 0.515 nan 8.270 nan 0.000 0.426 403 I N 0.549 121.232 120.570 0.188 0.000 2.142 403 I HA -0.304 3.866 4.170 -0.001 0.000 0.240 403 I C 2.135 178.385 176.117 0.222 0.000 1.078 403 I CA 0.726 62.163 61.300 0.229 0.000 1.343 403 I CB -0.273 37.633 38.000 -0.156 0.000 1.046 403 I HN 0.277 nan 8.210 nan 0.000 0.405 404 I N 0.714 121.413 120.570 0.216 0.000 2.179 404 I HA -0.286 3.883 4.170 -0.001 0.000 0.242 404 I C 2.146 178.378 176.117 0.193 0.000 1.088 404 I CA 1.762 63.195 61.300 0.221 0.000 1.357 404 I CB -1.426 36.723 38.000 0.247 0.000 1.051 404 I HN 0.262 nan 8.210 nan 0.000 0.409 405 D N 0.269 120.802 120.400 0.222 0.000 2.144 405 D HA -0.189 4.451 4.640 -0.001 0.000 0.200 405 D C 2.038 178.528 176.300 0.317 0.000 0.978 405 D CA 0.935 55.080 54.000 0.242 0.000 0.833 405 D CB -0.395 40.555 40.800 0.251 0.000 0.961 405 D HN 0.238 nan 8.370 nan 0.000 0.470 406 F N 0.976 121.013 119.950 0.144 0.000 2.163 406 F HA -0.074 4.452 4.527 -0.001 0.000 0.297 406 F C 1.848 177.625 175.800 -0.038 0.000 1.094 406 F CA 0.673 58.631 58.000 -0.070 0.000 1.290 406 F CB -0.344 38.383 39.000 -0.455 0.000 1.017 406 F HN -0.159 nan 8.300 nan 0.000 0.483 407 L N 0.632 121.780 121.223 -0.126 0.000 2.017 407 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 407 L C 2.445 179.297 176.870 -0.031 0.000 1.073 407 L CA 1.889 56.567 54.840 -0.270 0.000 0.745 407 L CB -1.316 40.694 42.059 -0.081 0.000 0.894 407 L HN 0.047 nan 8.230 nan 0.000 0.432 408 K N -0.132 120.327 120.400 0.099 0.000 2.097 408 K HA -0.192 4.128 4.320 -0.001 0.000 0.206 408 K C 2.018 178.702 176.600 0.139 0.000 1.049 408 K CA 1.198 57.581 56.287 0.160 0.000 0.933 408 K CB -0.676 31.887 32.500 0.104 0.000 0.717 408 K HN 0.120 nan 8.250 nan 0.000 0.442 409 L N 0.675 121.946 121.223 0.079 0.000 2.081 409 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 409 L C 1.558 178.359 176.870 -0.114 0.000 1.080 409 L CA 2.020 56.862 54.840 0.004 0.000 0.754 409 L CB -0.754 41.292 42.059 -0.022 0.000 0.893 409 L HN 0.359 nan 8.230 nan 0.000 0.433 410 H N -2.154 116.668 119.070 -0.413 0.000 2.387 410 H HA -0.155 4.401 4.556 -0.001 0.000 0.299 410 H C 1.762 176.991 175.328 -0.164 0.000 1.099 410 H CA 2.351 58.053 56.048 -0.577 0.000 1.315 410 H CB -0.453 28.629 29.762 -1.133 0.000 1.380 410 H HN 0.465 nan 8.280 nan 0.000 0.513 411 Y N -0.518 119.873 120.300 0.152 0.000 2.269 411 Y HA -0.096 4.454 4.550 -0.001 0.000 0.294 411 Y C 2.599 178.590 175.900 0.151 0.000 1.120 411 Y CA 0.806 58.987 58.100 0.135 0.000 1.159 411 Y CB -0.411 37.675 38.460 -0.624 0.000 1.024 411 Y HN 0.133 nan 8.280 nan 0.000 0.532 412 V N 0.048 120.103 119.914 0.236 0.000 2.515 412 V HA -0.203 3.917 4.120 -0.001 0.000 0.250 412 V C 1.624 177.841 176.094 0.204 0.000 1.058 412 V CA 1.926 64.350 62.300 0.205 0.000 1.064 412 V CB -1.095 30.819 31.823 0.151 0.000 0.675 412 V HN 0.542 nan 8.190 nan 0.000 0.461 413 I N -1.003 119.667 120.570 0.167 0.000 3.861 413 I HA 0.346 4.515 4.170 -0.001 0.000 0.329 413 I C 1.058 177.270 176.117 0.159 0.000 1.321 413 I CA 0.000 61.403 61.300 0.171 0.000 1.126 413 I CB -0.106 37.975 38.000 0.134 0.000 1.018 413 I HN 0.177 nan 8.210 nan 0.000 0.407 414 S N 1.232 117.058 115.700 0.210 0.000 2.584 414 S HA 0.138 4.607 4.470 -0.001 0.000 0.270 414 S C 0.781 175.469 174.600 0.146 0.000 1.346 414 S CA -0.010 58.299 58.200 0.182 0.000 1.018 414 S CB 0.908 64.263 63.200 0.258 0.000 0.899 414 S HN 0.588 nan 8.310 nan 0.000 0.542 415 Q N 1.090 120.937 119.800 0.078 0.000 2.219 415 Q HA 0.222 4.561 4.340 -0.001 0.000 0.209 415 Q C -0.114 175.912 176.000 0.043 0.000 0.854 415 Q CA -0.156 55.686 55.803 0.065 0.000 0.960 415 Q CB 0.338 29.100 28.738 0.041 0.000 1.116 415 Q HN 0.515 nan 8.270 nan 0.000 0.500 416 R N 0.953 121.452 120.500 -0.002 0.000 2.537 416 R HA -0.080 4.259 4.340 -0.001 0.000 0.281 416 R C 0.756 177.113 176.300 0.096 0.000 0.988 416 R CA 0.501 56.570 56.100 -0.051 0.000 1.077 416 R CB 0.393 30.488 30.300 -0.342 0.000 0.932 416 R HN 0.089 nan 8.270 nan 0.000 0.409 417 Q N 1.616 121.464 119.800 0.079 0.000 2.313 417 Q HA -0.044 4.295 4.340 -0.001 0.000 0.263 417 Q C 1.227 177.303 176.000 0.126 0.000 0.820 417 Q CA 0.729 56.600 55.803 0.114 0.000 0.974 417 Q CB 0.599 29.383 28.738 0.077 0.000 1.156 417 Q HN 0.739 nan 8.270 nan 0.000 0.517 418 E N -0.475 119.790 120.200 0.107 0.000 2.285 418 E HA -0.028 4.322 4.350 -0.001 0.000 0.194 418 E C -0.516 176.179 176.600 0.158 0.000 0.997 418 E CA 0.689 57.154 56.400 0.109 0.000 0.845 418 E CB 0.127 29.872 29.700 0.075 0.000 0.782 418 E HN 0.150 nan 8.360 nan 0.000 0.491 419 D N 1.240 121.786 120.400 0.244 0.000 2.278 419 D HA 0.095 4.735 4.640 -0.001 0.000 0.245 419 D C 0.441 176.947 176.300 0.344 0.000 1.052 419 D CA -0.416 53.774 54.000 0.316 0.000 0.834 419 D CB 1.995 43.070 40.800 0.459 0.000 1.194 419 D HN 0.026 nan 8.370 nan 0.000 0.481 420 R N 2.349 123.013 120.500 0.273 0.000 2.119 420 R HA -0.271 4.068 4.340 -0.001 0.000 0.246 420 R C 1.770 178.238 176.300 0.280 0.000 1.146 420 R CA 1.543 57.792 56.100 0.247 0.000 0.962 420 R CB -0.372 30.054 30.300 0.210 0.000 0.863 420 R HN 0.567 nan 8.270 nan 0.000 0.442 421 Y N -0.178 120.197 120.300 0.125 0.000 2.102 421 Y HA -0.312 4.237 4.550 -0.001 0.000 0.280 421 Y C 1.628 177.479 175.900 -0.082 0.000 1.178 421 Y CA 2.364 60.328 58.100 -0.227 0.000 1.146 421 Y CB -0.545 37.672 38.460 -0.405 0.000 0.968 421 Y HN 0.173 nan 8.280 nan 0.000 0.504 422 W N 0.177 121.663 121.300 0.310 0.000 2.418 422 W HA -0.026 4.634 4.660 -0.000 0.000 0.292 422 W C 2.557 179.196 176.519 0.201 0.000 1.213 422 W CA 1.349 58.854 57.345 0.266 0.000 1.283 422 W CB -0.357 29.263 29.460 0.267 0.000 1.119 422 W HN -0.146 nan 8.180 nan 0.000 0.542 423 R N 0.141 120.851 120.500 0.351 0.000 2.081 423 R HA -0.148 4.192 4.340 -0.001 0.000 0.235 423 R C 1.568 177.980 176.300 0.186 0.000 1.131 423 R CA 1.629 57.874 56.100 0.242 0.000 0.960 423 R CB -0.701 29.715 30.300 0.193 0.000 0.856 423 R HN 0.115 nan 8.270 nan 0.000 0.436 424 D N -0.154 120.331 120.400 0.142 0.000 2.149 424 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 424 D C 1.812 178.226 176.300 0.191 0.000 0.990 424 D CA 1.137 55.200 54.000 0.104 0.000 0.839 424 D CB -0.280 40.508 40.800 -0.021 0.000 0.948 424 D HN 0.296 nan 8.370 nan 0.000 0.460 425 H N 0.368 119.512 119.070 0.124 0.000 2.489 425 H HA 0.038 4.593 4.556 -0.001 0.000 0.293 425 H C 1.567 176.918 175.328 0.039 0.000 1.066 425 H CA 0.869 56.884 56.048 -0.054 0.000 1.305 425 H CB 0.296 29.899 29.762 -0.266 0.000 1.386 425 H HN 0.171 nan 8.280 nan 0.000 0.551 426 R N 0.833 121.469 120.500 0.228 0.000 2.317 426 R HA 0.087 4.427 4.340 -0.001 0.000 0.208 426 R C 0.176 176.559 176.300 0.139 0.000 0.914 426 R CA -0.055 56.154 56.100 0.183 0.000 1.060 426 R CB 0.608 31.023 30.300 0.191 0.000 1.015 426 R HN 0.355 nan 8.270 nan 0.000 0.498 427 E N 1.052 121.331 120.200 0.132 0.000 2.338 427 E HA -0.001 4.349 4.350 -0.001 0.000 0.272 427 E C 0.766 177.421 176.600 0.091 0.000 1.029 427 E CA 0.031 56.492 56.400 0.103 0.000 0.872 427 E CB 1.435 31.191 29.700 0.093 0.000 1.015 427 E HN 0.079 nan 8.360 nan 0.000 0.417 428 S N 2.896 118.639 115.700 0.073 0.000 2.399 428 S HA -0.241 4.228 4.470 -0.001 0.000 0.231 428 S C 1.341 175.975 174.600 0.056 0.000 1.022 428 S CA 1.607 59.843 58.200 0.061 0.000 0.983 428 S CB -0.433 62.797 63.200 0.050 0.000 0.803 428 S HN 0.659 nan 8.310 nan 0.000 0.480 429 N N 2.037 120.772 118.700 0.058 0.000 2.573 429 N HA -0.064 4.675 4.740 -0.001 0.000 0.187 429 N C 1.338 176.891 175.510 0.072 0.000 1.107 429 N CA 0.988 54.071 53.050 0.055 0.000 0.918 429 N CB -0.364 38.150 38.487 0.046 0.000 0.966 429 N HN 0.630 nan 8.380 nan 0.000 0.448 430 S N -0.816 114.937 115.700 0.088 0.000 2.559 430 S HA 0.301 4.771 4.470 -0.001 0.000 0.226 430 S C 0.208 174.831 174.600 0.039 0.000 1.000 430 S CA -0.782 57.470 58.200 0.088 0.000 0.948 430 S CB -0.106 63.182 63.200 0.146 0.000 0.870 430 S HN 0.205 nan 8.310 nan 0.000 0.497 431 I N 2.998 123.598 120.570 0.050 0.000 2.330 431 I HA 0.432 4.601 4.170 -0.001 0.000 0.289 431 I C -2.716 173.427 176.117 0.042 0.000 1.001 431 I CA -2.693 58.636 61.300 0.048 0.000 1.193 431 I CB 1.669 39.704 38.000 0.057 0.000 1.345 431 I HN -0.054 nan 8.210 nan 0.000 0.461 432 P HA 0.011 nan 4.420 nan 0.000 0.266 432 P C 0.089 177.403 177.300 0.024 0.000 1.195 432 P CA -0.009 63.116 63.100 0.041 0.000 0.768 432 P CB 0.683 32.418 31.700 0.059 0.000 0.838 433 D N 0.869 121.279 120.400 0.016 0.000 2.133 433 D HA -0.162 4.478 4.640 -0.001 0.000 0.195 433 D C 1.863 178.151 176.300 -0.020 0.000 0.997 433 D CA 1.992 55.992 54.000 0.000 0.000 0.840 433 D CB -0.553 40.248 40.800 0.001 0.000 0.947 433 D HN 0.424 nan 8.370 nan 0.000 0.452 434 S N 0.444 116.136 115.700 -0.013 0.000 2.370 434 S HA -0.175 4.294 4.470 -0.001 0.000 0.226 434 S C 2.008 176.562 174.600 -0.078 0.000 1.033 434 S CA 0.751 58.929 58.200 -0.037 0.000 1.011 434 S CB -0.593 62.603 63.200 -0.007 0.000 0.852 434 S HN 0.215 nan 8.310 nan 0.000 0.457 435 L N 1.720 122.920 121.223 -0.039 0.000 2.072 435 L HA 0.038 4.378 4.340 -0.001 0.000 0.205 435 L C 2.644 179.449 176.870 -0.107 0.000 1.079 435 L CA 1.624 56.429 54.840 -0.058 0.000 0.752 435 L CB -1.020 41.060 42.059 0.034 0.000 0.906 435 L HN 0.321 nan 8.230 nan 0.000 0.436 436 Q N 0.327 120.094 119.800 -0.055 0.000 2.112 436 Q HA -0.125 4.214 4.340 -0.001 0.000 0.206 436 Q C 1.279 177.221 176.000 -0.097 0.000 0.987 436 Q CA 1.168 56.943 55.803 -0.046 0.000 0.858 436 Q CB -0.526 28.205 28.738 -0.012 0.000 0.905 436 Q HN 0.662 nan 8.270 nan 0.000 0.420 440 E N 0.806 120.990 120.200 -0.026 0.000 2.047 440 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 440 E C 1.837 178.511 176.600 0.124 0.000 0.987 440 E CA 1.633 58.077 56.400 0.073 0.000 0.799 440 E CB 0.128 29.862 29.700 0.057 0.000 0.752 440 E HN 0.234 nan 8.360 nan 0.000 0.449 441 L N 0.309 121.517 121.223 -0.025 0.000 2.046 441 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 441 L C 1.645 178.640 176.870 0.209 0.000 1.077 441 L CA 1.594 56.460 54.840 0.043 0.000 0.747 441 L CB -0.436 41.522 42.059 -0.169 0.000 0.896 441 L HN 0.271 nan 8.230 nan 0.000 0.432 442 W N 0.215 121.561 121.300 0.076 0.000 2.525 442 W HA -0.007 4.652 4.660 -0.001 0.000 0.259 442 W C 2.544 179.209 176.519 0.244 0.000 1.253 442 W CA 0.459 57.849 57.345 0.074 0.000 1.262 442 W CB -0.872 28.496 29.460 -0.155 0.000 1.122 442 W HN 0.247 nan 8.180 nan 0.000 0.607 443 R N -0.881 119.821 120.500 0.337 0.000 2.159 443 R HA -0.184 4.156 4.340 -0.001 0.000 0.237 443 R C 1.252 177.327 176.300 -0.375 0.000 1.131 443 R CA 1.510 57.534 56.100 -0.125 0.000 0.982 443 R CB -0.398 29.535 30.300 -0.612 0.000 0.868 443 R HN 0.234 nan 8.270 nan 0.000 0.453 444 Y N -0.939 119.482 120.300 0.202 0.000 2.430 444 Y HA 0.178 4.728 4.550 -0.001 0.000 0.254 444 Y C 0.331 176.307 175.900 0.128 0.000 1.088 444 Y CA -0.447 57.727 58.100 0.124 0.000 1.267 444 Y CB 0.675 39.184 38.460 0.081 0.000 1.204 444 Y HN 0.007 nan 8.280 nan 0.000 0.515 445 Q N -0.729 119.247 119.800 0.293 0.000 2.482 445 Q HA 0.452 4.792 4.340 -0.001 0.000 0.286 445 Q C -0.710 175.444 176.000 0.257 0.000 1.007 445 Q CA -1.059 54.879 55.803 0.225 0.000 0.801 445 Q CB 1.753 30.604 28.738 0.189 0.000 1.455 445 Q HN 0.089 nan 8.270 nan 0.000 0.398 446 T N -1.001 113.649 114.554 0.159 0.000 2.898 446 T HA 0.403 4.753 4.350 -0.001 0.000 0.301 446 T C -2.225 172.479 174.700 0.008 0.000 1.049 446 T CA -1.106 61.059 62.100 0.108 0.000 1.095 446 T CB 0.161 69.061 68.868 0.054 0.000 0.976 446 T HN 0.416 nan 8.240 nan 0.000 0.539 447 P HA 0.247 nan 4.420 nan 0.000 0.267 447 P C -0.383 176.864 177.300 -0.088 0.000 1.200 447 P CA -0.111 62.786 63.100 -0.338 0.000 0.772 447 P CB 0.543 31.775 31.700 -0.780 0.000 0.855 448 S N 0.823 116.521 115.700 -0.004 0.000 2.688 448 S HA 0.220 4.690 4.470 -0.001 0.000 0.275 448 S C 0.757 175.344 174.600 -0.022 0.000 1.175 448 S CA -0.682 57.516 58.200 -0.003 0.000 0.818 448 S CB 1.001 64.219 63.200 0.030 0.000 1.157 448 S HN 0.235 nan 8.310 nan 0.000 0.482 449 Q N 0.623 120.412 119.800 -0.018 0.000 2.297 449 Q HA -0.124 4.216 4.340 -0.001 0.000 0.208 449 Q C 1.739 177.707 176.000 -0.053 0.000 0.981 449 Q CA 1.618 57.396 55.803 -0.041 0.000 0.876 449 Q CB -0.589 28.136 28.738 -0.022 0.000 0.921 449 Q HN 0.784 nan 8.270 nan 0.000 0.446 450 Q N 0.354 120.140 119.800 -0.024 0.000 2.364 450 Q HA -0.112 4.228 4.340 -0.001 0.000 0.207 450 Q C 0.821 176.798 176.000 -0.037 0.000 0.970 450 Q CA 0.730 56.519 55.803 -0.023 0.000 0.888 450 Q CB 0.170 28.910 28.738 0.003 0.000 0.951 450 Q HN 0.351 nan 8.270 nan 0.000 0.469 451 D N 0.042 120.417 120.400 -0.043 0.000 2.363 451 D HA 0.052 4.691 4.640 -0.001 0.000 0.220 451 D C 0.118 176.339 176.300 -0.131 0.000 0.994 451 D CA 0.683 54.645 54.000 -0.063 0.000 0.890 451 D CB 0.399 41.190 40.800 -0.015 0.000 0.906 451 D HN 0.238 nan 8.370 nan 0.000 0.530 452 I N 0.820 121.288 120.570 -0.170 0.000 2.389 452 I HA 0.043 4.212 4.170 -0.001 0.000 0.288 452 I C 1.230 177.199 176.117 -0.247 0.000 0.999 452 I CA -0.329 60.800 61.300 -0.285 0.000 1.129 452 I CB 2.083 39.846 38.000 -0.395 0.000 1.288 452 I HN -0.236 nan 8.210 nan 0.000 0.444 453 S N 5.045 120.638 115.700 -0.178 0.000 2.478 453 S HA 0.044 4.514 4.470 -0.001 0.000 0.222 453 S C 0.320 174.910 174.600 -0.015 0.000 1.008 453 S CA 0.080 58.253 58.200 -0.045 0.000 0.928 453 S CB -0.129 63.104 63.200 0.056 0.000 0.781 453 S HN 0.583 nan 8.310 nan 0.000 0.518 454 Y N 0.569 120.841 120.300 -0.047 0.000 2.567 454 Y HA 0.771 5.320 4.550 -0.000 0.000 0.333 454 Y C -0.184 175.694 175.900 -0.036 0.000 1.106 454 Y CA -1.831 56.241 58.100 -0.047 0.000 1.157 454 Y CB 0.799 39.212 38.460 -0.078 0.000 1.277 454 Y HN -0.250 nan 8.280 nan 0.000 0.490 455 K N 0.699 121.181 120.400 0.137 0.000 2.202 455 K HA 0.114 4.434 4.320 -0.001 0.000 0.264 455 K C -0.456 176.218 176.600 0.124 0.000 1.010 455 K CA -0.160 56.172 56.287 0.074 0.000 0.940 455 K CB 0.217 32.772 32.500 0.092 0.000 0.983 455 K HN 0.864 nan 8.250 nan 0.000 0.475 456 E N -0.711 119.525 120.200 0.061 0.000 2.320 456 E HA -0.245 4.105 4.350 -0.001 0.000 0.234 456 E C -0.693 175.977 176.600 0.116 0.000 1.183 456 E CA 0.100 56.554 56.400 0.090 0.000 0.713 456 E CB -1.365 28.433 29.700 0.164 0.000 1.226 456 E HN 0.677 nan 8.360 nan 0.000 0.382 457 A N 0.490 123.313 122.820 0.005 0.000 2.520 457 A HA 0.144 4.463 4.320 -0.001 0.000 0.235 457 A C 1.345 178.853 177.584 -0.128 0.000 1.065 457 A CA 0.102 52.159 52.037 0.034 0.000 0.764 457 A CB 0.366 19.268 19.000 -0.163 0.000 1.002 457 A HN 0.406 nan 8.150 nan 0.000 0.502 458 L N 0.130 121.157 121.223 -0.327 0.000 2.056 458 L HA -0.045 4.295 4.340 -0.001 0.000 0.207 458 L C -0.066 176.243 176.870 -0.934 0.000 1.078 458 L CA 1.107 55.450 54.840 -0.828 0.000 0.749 458 L CB -0.272 41.001 42.059 -1.311 0.000 0.901 458 L HN 0.670 nan 8.230 nan 0.000 0.433 459 F N 0.297 120.020 119.950 -0.379 0.000 2.427 459 F HA 0.390 4.916 4.527 -0.001 0.000 0.346 459 F C -1.848 173.863 175.800 -0.148 0.000 1.120 459 F CA -3.282 54.478 58.000 -0.400 0.000 1.033 459 F CB 0.347 38.982 39.000 -0.608 0.000 1.126 459 F HN -0.164 nan 8.300 nan 0.000 0.462 460 P HA 0.136 nan 4.420 nan 0.000 0.274 460 P C 0.225 177.625 177.300 0.166 0.000 1.237 460 P CA -0.145 63.013 63.100 0.096 0.000 0.793 460 P CB 1.103 32.869 31.700 0.110 0.000 0.977 461 A N 2.302 125.178 122.820 0.093 0.000 1.948 461 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 461 A C 2.261 179.896 177.584 0.085 0.000 1.177 461 A CA 2.392 54.480 52.037 0.084 0.000 0.636 461 A CB -1.691 17.295 19.000 -0.024 0.000 0.815 461 A HN 0.608 nan 8.150 nan 0.000 0.449 462 A N -0.651 122.200 122.820 0.052 0.000 1.978 462 A HA -0.098 4.222 4.320 -0.001 0.000 0.220 462 A C 2.411 180.007 177.584 0.021 0.000 1.170 462 A CA 2.064 54.084 52.037 -0.027 0.000 0.636 462 A CB -0.834 18.167 19.000 0.002 0.000 0.810 462 A HN 0.467 nan 8.150 nan 0.000 0.448 463 S N -0.830 114.960 115.700 0.151 0.000 2.382 463 S HA -0.123 4.347 4.470 -0.001 0.000 0.228 463 S C 1.535 175.946 174.600 -0.314 0.000 1.027 463 S CA 1.542 59.740 58.200 -0.003 0.000 0.991 463 S CB -0.519 62.609 63.200 -0.119 0.000 0.823 463 S HN 0.588 nan 8.310 nan 0.000 0.469 464 F N 1.865 121.629 119.950 -0.309 0.000 2.186 464 F HA -0.072 4.455 4.527 -0.001 0.000 0.299 464 F C 2.629 178.102 175.800 -0.545 0.000 1.090 464 F CA 0.890 58.656 58.000 -0.391 0.000 1.307 464 F CB -0.572 38.139 39.000 -0.481 0.000 1.019 464 F HN 0.201 nan 8.300 nan 0.000 0.489 465 Q N -0.999 118.634 119.800 -0.279 0.000 2.084 465 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 465 Q C 2.055 177.898 176.000 -0.263 0.000 0.978 465 Q CA 1.691 57.261 55.803 -0.387 0.000 0.844 465 Q CB -0.479 28.066 28.738 -0.322 0.000 0.898 465 Q HN 0.404 nan 8.270 nan 0.000 0.426 466 Y N -0.028 120.274 120.300 0.003 0.000 2.181 466 Y HA -0.212 4.337 4.550 -0.001 0.000 0.288 466 Y C 2.288 178.076 175.900 -0.187 0.000 1.146 466 Y CA 0.761 58.914 58.100 0.088 0.000 1.164 466 Y CB -0.533 37.981 38.460 0.089 0.000 0.982 466 Y HN -0.080 nan 8.280 nan 0.000 0.515 467 V N -0.722 119.043 119.914 -0.248 0.000 2.283 467 V HA -0.239 3.881 4.120 -0.001 0.000 0.243 467 V C 2.303 177.993 176.094 -0.674 0.000 1.039 467 V CA 1.365 63.334 62.300 -0.552 0.000 1.016 467 V CB -0.920 30.403 31.823 -0.834 0.000 0.650 467 V HN 0.283 nan 8.190 nan 0.000 0.449 468 L N -0.497 120.318 121.223 -0.680 0.000 1.990 468 L HA -0.215 4.125 4.340 -0.001 0.000 0.213 468 L C 2.276 178.734 176.870 -0.687 0.000 1.072 468 L CA 2.337 56.684 54.840 -0.822 0.000 0.755 468 L CB -0.646 40.671 42.059 -1.236 0.000 0.889 468 L HN 0.403 nan 8.230 nan 0.000 0.432 469 Y N -0.593 119.523 120.300 -0.308 0.000 2.490 469 Y HA 0.305 4.854 4.550 -0.000 0.000 0.285 469 Y C 1.828 177.621 175.900 -0.177 0.000 1.117 469 Y CA -0.167 57.832 58.100 -0.170 0.000 1.262 469 Y CB -1.325 36.938 38.460 -0.329 0.000 1.043 469 Y HN 0.164 nan 8.280 nan 0.000 0.553 473 F N 3.437 123.389 119.950 0.004 0.000 2.518 473 F HA 0.436 4.962 4.527 -0.000 0.000 0.359 473 F C 0.460 176.328 175.800 0.113 0.000 1.118 473 F CA 0.194 58.191 58.000 -0.006 0.000 1.287 473 F CB 0.385 39.293 39.000 -0.153 0.000 1.132 473 F HN 0.196 nan 8.300 nan 0.000 0.587 474 N N 2.970 121.420 118.700 -0.416 0.000 2.426 474 N HA 0.334 5.074 4.740 -0.001 0.000 0.275 474 N C -1.484 173.914 175.510 -0.187 0.000 1.019 474 N CA -0.205 52.712 53.050 -0.222 0.000 0.941 474 N CB 1.024 39.353 38.487 -0.263 0.000 1.123 474 N HN 0.588 nan 8.380 nan 0.000 0.486 475 T N 2.288 116.880 114.554 0.063 0.000 2.824 475 T HA 0.195 4.544 4.350 -0.001 0.000 0.282 475 T C -0.503 174.188 174.700 -0.015 0.000 0.993 475 T CA -0.481 61.679 62.100 0.101 0.000 0.967 475 T CB 1.268 70.316 68.868 0.300 0.000 0.960 475 T HN 0.522 nan 8.240 nan 0.000 0.441 476 Q N 2.916 122.700 119.800 -0.027 0.000 2.283 476 Q HA 0.118 4.457 4.340 -0.001 0.000 0.301 476 Q C -0.498 175.495 176.000 -0.011 0.000 1.063 476 Q CA 0.084 55.886 55.803 -0.001 0.000 0.952 476 Q CB 0.281 29.084 28.738 0.107 0.000 1.166 476 Q HN 0.548 nan 8.270 nan 0.000 0.381 477 L N 6.657 127.848 121.223 -0.053 0.000 2.453 477 L HA 0.223 4.563 4.340 -0.001 0.000 0.272 477 L C -1.773 175.065 176.870 -0.053 0.000 1.182 477 L CA -1.904 52.883 54.840 -0.089 0.000 0.858 477 L CB -0.009 41.975 42.059 -0.126 0.000 1.120 477 L HN 0.637 nan 8.230 nan 0.000 0.474 478 P HA 0.028 nan 4.420 nan 0.000 0.266 478 P C -0.313 176.964 177.300 -0.039 0.000 1.193 478 P CA -0.093 62.975 63.100 -0.052 0.000 0.770 478 P CB 0.494 32.123 31.700 -0.118 0.000 0.836 479 T N -1.742 112.824 114.554 0.021 0.000 2.950 479 T HA 0.414 4.763 4.350 -0.001 0.000 0.288 479 T C -0.262 174.500 174.700 0.104 0.000 1.035 479 T CA -0.683 61.428 62.100 0.018 0.000 1.028 479 T CB 0.362 69.291 68.868 0.101 0.000 1.109 479 T HN 0.520 nan 8.240 nan 0.000 0.514 480 H N -1.908 117.160 119.070 -0.004 0.000 2.713 480 H HA -0.092 4.464 4.556 -0.001 0.000 0.311 480 H C -0.028 175.312 175.328 0.019 0.000 1.175 480 H CA 0.439 56.492 56.048 0.008 0.000 1.143 480 H CB -2.470 27.297 29.762 0.008 0.000 1.434 480 H HN 0.551 nan 8.280 nan 0.000 0.418 481 V N 0.675 120.632 119.914 0.071 0.000 2.655 481 V HA -0.029 4.091 4.120 -0.001 0.000 0.300 481 V C 1.156 177.323 176.094 0.122 0.000 1.044 481 V CA -0.033 62.322 62.300 0.092 0.000 1.095 481 V CB 0.945 32.813 31.823 0.076 0.000 0.952 481 V HN 0.324 nan 8.190 nan 0.000 0.485 482 K N 6.293 126.781 120.400 0.147 0.000 2.383 482 K HA 0.152 4.472 4.320 -0.001 0.000 0.286 482 K C -1.571 175.097 176.600 0.114 0.000 1.051 482 K CA -1.136 55.221 56.287 0.117 0.000 0.974 482 K CB 0.695 33.259 32.500 0.106 0.000 0.968 482 K HN 0.423 nan 8.250 nan 0.000 0.475 483 P HA -0.228 nan 4.420 nan 0.000 0.216 483 P C 0.380 177.709 177.300 0.047 0.000 1.150 483 P CA 1.067 64.207 63.100 0.067 0.000 0.843 483 P CB 0.120 31.849 31.700 0.048 0.000 0.787 487 Q N 0.372 120.161 119.800 -0.019 0.000 2.079 487 Q HA -0.039 4.300 4.340 -0.001 0.000 0.200 487 Q C 1.758 177.719 176.000 -0.064 0.000 0.974 487 Q CA 1.627 57.419 55.803 -0.018 0.000 0.840 487 Q CB -0.015 28.719 28.738 -0.007 0.000 0.898 487 Q HN 0.347 nan 8.270 nan 0.000 0.430 488 L N 0.792 121.942 121.223 -0.121 0.000 2.017 488 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 488 L C 2.161 178.889 176.870 -0.237 0.000 1.073 488 L CA 2.202 56.945 54.840 -0.162 0.000 0.745 488 L CB -0.951 41.000 42.059 -0.180 0.000 0.894 488 L HN 0.136 nan 8.230 nan 0.000 0.432 489 A N -0.927 121.672 122.820 -0.367 0.000 1.917 489 A HA -0.319 4.001 4.320 -0.001 0.000 0.219 489 A C 2.291 179.666 177.584 -0.348 0.000 1.182 489 A CA 1.988 53.723 52.037 -0.503 0.000 0.633 489 A CB -0.834 17.814 19.000 -0.587 0.000 0.819 489 A HN 0.620 nan 8.150 nan 0.000 0.448 490 Q N -0.074 119.708 119.800 -0.031 0.000 2.084 490 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 490 Q C 2.186 178.239 176.000 0.089 0.000 0.978 490 Q CA 2.229 58.129 55.803 0.161 0.000 0.844 490 Q CB -0.361 28.452 28.738 0.124 0.000 0.898 490 Q HN 0.673 nan 8.270 nan 0.000 0.426 491 R N -0.604 119.896 120.500 0.001 0.000 2.081 491 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 491 R C 2.171 178.480 176.300 0.014 0.000 1.131 491 R CA 1.453 57.557 56.100 0.007 0.000 0.960 491 R CB -0.306 29.981 30.300 -0.022 0.000 0.856 491 R HN 0.378 nan 8.270 nan 0.000 0.436 492 L N -0.031 121.151 121.223 -0.069 0.000 2.093 492 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 492 L C 2.241 179.162 176.870 0.085 0.000 1.085 492 L CA 1.002 55.827 54.840 -0.026 0.000 0.755 492 L CB -0.477 41.471 42.059 -0.185 0.000 0.904 492 L HN 0.132 nan 8.230 nan 0.000 0.435 493 F N 0.691 120.696 119.950 0.091 0.000 2.069 493 F HA -0.246 4.280 4.527 -0.001 0.000 0.298 493 F C 2.317 178.136 175.800 0.032 0.000 1.113 493 F CA 1.633 59.672 58.000 0.066 0.000 1.214 493 F CB -1.238 37.792 39.000 0.051 0.000 0.978 493 F HN 0.162 nan 8.300 nan 0.000 0.474 494 N N -0.398 118.433 118.700 0.217 0.000 2.104 494 N HA -0.234 4.506 4.740 -0.001 0.000 0.190 494 N C 1.439 176.994 175.510 0.074 0.000 1.024 494 N CA 1.333 54.451 53.050 0.114 0.000 0.853 494 N CB -0.334 38.202 38.487 0.082 0.000 1.008 494 N HN 0.247 nan 8.380 nan 0.000 0.424 495 D N 0.688 121.144 120.400 0.092 0.000 2.144 495 D HA -0.135 4.505 4.640 -0.001 0.000 0.200 495 D C 1.693 177.956 176.300 -0.063 0.000 0.978 495 D CA 0.791 54.840 54.000 0.082 0.000 0.833 495 D CB -0.180 40.745 40.800 0.209 0.000 0.961 495 D HN 0.165 nan 8.370 nan 0.000 0.470 496 N N 0.057 118.667 118.700 -0.150 0.000 2.166 496 N HA -0.230 4.510 4.740 -0.001 0.000 0.186 496 N C 1.805 177.224 175.510 -0.151 0.000 1.019 496 N CA 0.968 53.796 53.050 -0.370 0.000 0.856 496 N CB -0.101 38.269 38.487 -0.196 0.000 0.993 496 N HN 0.345 nan 8.380 nan 0.000 0.426 497 Q N 0.653 120.429 119.800 -0.040 0.000 2.050 497 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 497 Q C 2.192 178.175 176.000 -0.029 0.000 0.980 497 Q CA 1.541 57.332 55.803 -0.020 0.000 0.840 497 Q CB -0.061 28.683 28.738 0.012 0.000 0.898 497 Q HN 0.478 nan 8.270 nan 0.000 0.424 498 Q N 0.141 119.926 119.800 -0.024 0.000 2.079 498 Q HA -0.221 4.119 4.340 -0.001 0.000 0.200 498 Q C 2.154 178.137 176.000 -0.029 0.000 0.974 498 Q CA 1.508 57.300 55.803 -0.017 0.000 0.840 498 Q CB -0.085 28.652 28.738 -0.001 0.000 0.898 498 Q HN 0.253 nan 8.270 nan 0.000 0.430 499 R N -0.571 119.895 120.500 -0.058 0.000 2.081 499 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 499 R C 2.023 178.292 176.300 -0.050 0.000 1.131 499 R CA 1.964 58.030 56.100 -0.057 0.000 0.960 499 R CB -0.305 29.931 30.300 -0.107 0.000 0.856 499 R HN 0.259 nan 8.270 nan 0.000 0.436 500 T N -0.062 114.452 114.554 -0.066 0.000 2.684 500 T HA -0.237 4.113 4.350 -0.001 0.000 0.267 500 T C 1.788 176.470 174.700 -0.030 0.000 1.036 500 T CA 1.657 63.729 62.100 -0.047 0.000 1.148 500 T CB -0.411 68.427 68.868 -0.049 0.000 0.863 500 T HN 0.303 nan 8.240 nan 0.000 0.436 501 Q N 0.545 120.329 119.800 -0.026 0.000 2.084 501 Q HA -0.035 4.305 4.340 -0.001 0.000 0.202 501 Q C 2.663 178.654 176.000 -0.015 0.000 0.978 501 Q CA 1.559 57.351 55.803 -0.018 0.000 0.844 501 Q CB -0.923 27.807 28.738 -0.013 0.000 0.898 501 Q HN 0.725 nan 8.270 nan 0.000 0.426 502 A N 0.383 123.194 122.820 -0.014 0.000 1.877 502 A HA -0.041 4.279 4.320 -0.001 0.000 0.216 502 A C 2.238 179.816 177.584 -0.010 0.000 1.186 502 A CA 1.690 53.721 52.037 -0.010 0.000 0.620 502 A CB -0.721 18.275 19.000 -0.007 0.000 0.822 502 A HN 0.579 nan 8.150 nan 0.000 0.443 503 L N 0.698 121.914 121.223 -0.012 0.000 2.201 503 L HA -0.160 4.180 4.340 -0.001 0.000 0.212 503 L C 2.887 179.747 176.870 -0.015 0.000 1.105 503 L CA 1.342 56.175 54.840 -0.011 0.000 0.775 503 L CB -0.408 41.646 42.059 -0.009 0.000 0.913 503 L HN 0.632 nan 8.230 nan 0.000 0.440 504 S N -0.924 114.766 115.700 -0.017 0.000 2.442 504 S HA -0.142 4.327 4.470 -0.001 0.000 0.236 504 S C 1.910 176.501 174.600 -0.015 0.000 1.007 504 S CA 0.938 59.128 58.200 -0.017 0.000 0.965 504 S CB -0.129 63.061 63.200 -0.016 0.000 0.773 504 S HN 0.271 nan 8.310 nan 0.000 0.504 505 K N 0.380 120.772 120.400 -0.014 0.000 2.361 505 K HA 0.350 4.669 4.320 -0.001 0.000 0.194 505 K C 1.626 178.218 176.600 -0.013 0.000 1.032 505 K CA 0.705 56.984 56.287 -0.013 0.000 1.048 505 K CB -0.895 31.598 32.500 -0.011 0.000 0.842 505 K HN 0.847 nan 8.250 nan 0.000 0.526 506 N N 0.497 119.188 118.700 -0.014 0.000 2.238 506 N HA 0.387 5.127 4.740 -0.001 0.000 0.235 506 N C -0.017 175.483 175.510 -0.016 0.000 1.209 506 N CA -0.168 52.874 53.050 -0.013 0.000 0.879 506 N CB 0.228 38.709 38.487 -0.010 0.000 1.136 506 N HN 0.120 nan 8.380 nan 0.000 0.517 507 L N 0.895 122.106 121.223 -0.020 0.000 2.362 507 L HA 0.642 4.981 4.340 -0.001 0.000 0.271 507 L C -2.213 174.639 176.870 -0.030 0.000 1.002 507 L CA -2.007 52.816 54.840 -0.029 0.000 0.818 507 L CB 2.711 44.749 42.059 -0.036 0.000 1.298 507 L HN 0.106 nan 8.230 nan 0.000 0.420 508 P HA 0.176 nan 4.420 nan 0.000 0.276 508 P C -0.532 176.751 177.300 -0.029 0.000 1.244 508 P CA -0.396 62.688 63.100 -0.028 0.000 0.801 508 P CB 0.860 32.545 31.700 -0.025 0.000 1.006 509 T N -1.189 113.354 114.554 -0.018 0.000 2.766 509 T HA 0.092 4.442 4.350 -0.001 0.000 0.295 509 T C 1.401 176.105 174.700 0.007 0.000 1.024 509 T CA -0.411 61.682 62.100 -0.012 0.000 1.018 509 T CB -0.056 68.804 68.868 -0.014 0.000 1.002 509 T HN 0.276 nan 8.240 nan 0.000 0.532 510 N N 0.551 119.270 118.700 0.031 0.000 2.084 510 N HA -0.138 4.602 4.740 -0.001 0.000 0.190 510 N C 1.991 177.551 175.510 0.082 0.000 1.030 510 N CA 1.241 54.351 53.050 0.100 0.000 0.849 510 N CB -0.510 38.054 38.487 0.127 0.000 1.012 510 N HN 0.607 nan 8.380 nan 0.000 0.423 511 R N 1.668 122.177 120.500 0.014 0.000 2.091 511 R HA -0.072 4.267 4.340 -0.001 0.000 0.238 511 R C 1.852 178.152 176.300 0.000 0.000 1.136 511 R CA 1.456 57.546 56.100 -0.017 0.000 0.959 511 R CB -0.302 29.956 30.300 -0.069 0.000 0.856 511 R HN 0.320 nan 8.270 nan 0.000 0.437 512 E N -0.331 119.870 120.200 0.001 0.000 2.058 512 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 512 E C 1.818 178.428 176.600 0.017 0.000 0.997 512 E CA 1.450 57.852 56.400 0.004 0.000 0.801 512 E CB -0.225 29.473 29.700 -0.003 0.000 0.746 512 E HN 0.208 nan 8.360 nan 0.000 0.450 513 L N 0.761 122.003 121.223 0.032 0.000 2.056 513 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 513 L C 1.984 178.891 176.870 0.061 0.000 1.078 513 L CA 1.443 56.308 54.840 0.041 0.000 0.749 513 L CB -0.249 41.839 42.059 0.048 0.000 0.901 513 L HN 0.123 nan 8.230 nan 0.000 0.433 514 L N -0.690 120.598 121.223 0.108 0.000 2.083 514 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 514 L C 2.171 179.029 176.870 -0.019 0.000 1.083 514 L CA 1.157 56.031 54.840 0.057 0.000 0.752 514 L CB -0.805 41.280 42.059 0.042 0.000 0.899 514 L HN 0.277 nan 8.230 nan 0.000 0.433 515 D N 0.215 120.606 120.400 -0.016 0.000 2.117 515 D HA -0.149 4.490 4.640 -0.001 0.000 0.197 515 D C 2.206 178.477 176.300 -0.047 0.000 0.987 515 D CA 1.113 55.091 54.000 -0.037 0.000 0.829 515 D CB -0.001 40.789 40.800 -0.016 0.000 0.961 515 D HN 0.262 nan 8.370 nan 0.000 0.460 516 K N 0.311 120.713 120.400 0.002 0.000 2.097 516 K HA -0.033 4.287 4.320 -0.001 0.000 0.205 516 K C 2.134 178.694 176.600 -0.066 0.000 1.050 516 K CA 0.425 56.754 56.287 0.069 0.000 0.938 516 K CB 0.043 32.596 32.500 0.089 0.000 0.718 516 K HN 0.022 nan 8.250 nan 0.000 0.442 517 V N 1.471 121.283 119.914 -0.170 0.000 2.427 517 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 517 V C 2.372 178.360 176.094 -0.176 0.000 1.051 517 V CA 1.951 64.093 62.300 -0.264 0.000 1.048 517 V CB -0.604 31.052 31.823 -0.279 0.000 0.666 517 V HN 0.321 nan 8.190 nan 0.000 0.456 518 A N -0.781 121.947 122.820 -0.154 0.000 1.902 518 A HA -0.271 4.049 4.320 -0.001 0.000 0.217 518 A C 2.186 179.632 177.584 -0.229 0.000 1.181 518 A CA 1.998 53.941 52.037 -0.156 0.000 0.623 518 A CB -0.363 18.557 19.000 -0.133 0.000 0.818 518 A HN 0.620 nan 8.150 nan 0.000 0.443 519 Q N -2.770 116.808 119.800 -0.370 0.000 2.204 519 Q HA 0.007 4.346 4.340 -0.001 0.000 0.198 519 Q C 1.319 176.824 176.000 -0.825 0.000 0.946 519 Q CA 1.347 56.722 55.803 -0.715 0.000 0.859 519 Q CB 0.071 28.090 28.738 -1.197 0.000 0.946 519 Q HN 0.862 nan 8.270 nan 0.000 0.474 520 Y N -1.445 118.812 120.300 -0.072 0.000 2.652 520 Y HA 0.388 4.938 4.550 -0.001 0.000 0.275 520 Y C 0.858 176.714 175.900 -0.074 0.000 1.133 520 Y CA 0.212 58.274 58.100 -0.063 0.000 1.246 520 Y CB 0.643 39.067 38.460 -0.059 0.000 1.334 520 Y HN 0.051 nan 8.280 nan 0.000 0.493 521 G N 0.775 109.570 108.800 -0.009 0.000 2.705 521 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.686 521 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.686 521 G C -0.668 174.180 174.900 -0.086 0.000 1.285 521 G CA -1.122 43.925 45.100 -0.088 0.000 0.800 521 G HN 0.001 nan 8.290 nan 0.000 0.611 522 F N 1.358 121.349 119.950 0.069 0.000 2.535 522 F HA 0.417 4.944 4.527 -0.001 0.000 0.332 522 F C -0.951 174.871 175.800 0.037 0.000 1.208 522 F CA -0.856 57.173 58.000 0.048 0.000 1.330 522 F CB -0.194 38.830 39.000 0.039 0.000 1.167 522 F HN 0.320 nan 8.300 nan 0.000 0.597 523 P HA 0.171 nan 4.420 nan 0.000 0.266 523 P C -0.590 176.778 177.300 0.113 0.000 1.195 523 P CA -0.185 62.991 63.100 0.127 0.000 0.768 523 P CB 0.055 31.803 31.700 0.081 0.000 0.838 524 K N 0.814 121.265 120.400 0.085 0.000 2.412 524 K HA 0.591 4.911 4.320 -0.001 0.000 0.281 524 K C 0.089 176.727 176.600 0.063 0.000 1.027 524 K CA 0.562 56.894 56.287 0.076 0.000 0.989 524 K CB -0.563 31.974 32.500 0.062 0.000 0.935 524 K HN 0.719 nan 8.250 nan 0.000 0.475 525 L N 0.000 121.265 121.223 0.070 0.000 2.949 525 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 525 L CA 0.000 54.878 54.840 0.064 0.000 0.813 525 L CB 0.000 nan 42.059 nan 0.000 0.961 525 L HN 0.000 nan 8.230 nan 0.000 0.502