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_A 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 0.000 0.000 0.244 0 G C 0.000 174.916 174.900 0.026 0.000 0.946 0 G CA 0.000 45.113 45.100 0.021 0.000 0.502 4 K N 2.955 123.365 120.400 0.016 0.000 2.447 4 K HA 0.170 4.490 4.320 0.000 0.000 0.281 4 K C -2.462 174.142 176.600 0.007 0.000 1.031 4 K CA -1.418 54.876 56.287 0.012 0.000 1.019 4 K CB 0.505 33.014 32.500 0.015 0.000 0.918 4 K HN -0.230 nan 8.250 nan 0.000 0.476 5 P HA -0.076 nan 4.420 nan 0.000 0.265 5 P C -0.600 176.689 177.300 -0.018 0.000 1.187 5 P CA -0.027 63.068 63.100 -0.009 0.000 0.766 5 P CB 0.325 32.017 31.700 -0.013 0.000 0.820 6 I N 3.408 123.963 120.570 -0.025 0.000 2.389 6 I HA 0.046 4.216 4.170 0.000 0.000 0.295 6 I C 1.472 177.539 176.117 -0.083 0.000 1.117 6 I CA 0.783 62.057 61.300 -0.043 0.000 1.317 6 I CB -0.602 37.382 38.000 -0.028 0.000 1.431 6 I HN 0.478 nan 8.210 nan 0.000 0.521 7 T N 1.235 115.739 114.554 -0.083 0.000 2.966 7 T HA 0.205 4.555 4.350 0.000 0.000 0.254 7 T C 0.515 175.148 174.700 -0.111 0.000 0.961 7 T CA -0.196 61.846 62.100 -0.096 0.000 0.915 7 T CB 0.498 69.327 68.868 -0.066 0.000 1.186 7 T HN 0.311 nan 8.240 nan 0.000 0.505 8 E N 2.454 122.582 120.200 -0.120 0.000 2.046 8 E HA 0.407 4.757 4.350 0.000 0.000 0.279 8 E C -0.730 175.726 176.600 -0.240 0.000 0.989 8 E CA -0.456 55.854 56.400 -0.151 0.000 0.798 8 E CB 1.093 30.718 29.700 -0.125 0.000 1.086 8 E HN 0.440 nan 8.360 nan 0.000 0.399 9 I N 4.359 124.782 120.570 -0.244 0.000 2.389 9 I HA 0.358 4.528 4.170 0.000 0.000 0.288 9 I C -0.117 175.804 176.117 -0.327 0.000 0.999 9 I CA -0.865 60.251 61.300 -0.306 0.000 1.129 9 I CB 1.157 39.017 38.000 -0.232 0.000 1.288 9 I HN 0.264 nan 8.210 nan 0.000 0.444 10 I N 7.131 127.422 120.570 -0.466 0.000 2.382 10 I HA 0.434 4.604 4.170 0.000 0.000 0.286 10 I C 0.122 176.091 176.117 -0.247 0.000 1.002 10 I CA -0.562 60.521 61.300 -0.361 0.000 1.135 10 I CB 1.623 39.362 38.000 -0.434 0.000 1.288 10 I HN 0.354 nan 8.210 nan 0.000 0.448 11 I N 6.403 126.853 120.570 -0.201 0.000 2.321 11 I HA 0.312 4.483 4.170 0.000 0.000 0.291 11 I C -0.131 175.895 176.117 -0.152 0.000 0.998 11 I CA -0.759 60.425 61.300 -0.194 0.000 1.227 11 I CB 1.736 39.567 38.000 -0.282 0.000 1.368 11 I HN 0.151 nan 8.210 nan 0.000 0.466 12 V N 5.939 125.796 119.914 -0.095 0.000 2.311 12 V HA 0.791 4.911 4.120 0.000 0.000 0.275 12 V C 0.431 176.472 176.094 -0.089 0.000 1.022 12 V CA -0.385 61.877 62.300 -0.063 0.000 0.830 12 V CB 0.441 32.261 31.823 -0.006 0.000 1.012 12 V HN 1.075 nan 8.190 nan 0.000 0.452 13 G N 3.437 112.169 108.800 -0.113 0.000 2.742 13 G HA2 0.325 4.285 3.960 0.000 0.000 0.686 13 G HA3 0.325 4.285 3.960 0.000 0.000 0.686 13 G C -0.035 174.738 174.900 -0.212 0.000 1.220 13 G CA -0.311 44.721 45.100 -0.113 0.000 0.783 13 G HN 1.031 nan 8.290 nan 0.000 0.646 14 G N 0.014 108.725 108.800 -0.149 0.000 3.329 14 G HA2 0.996 4.956 3.960 0.000 0.000 0.180 14 G HA3 0.996 4.956 3.960 0.000 0.000 0.180 14 G C 1.390 176.259 174.900 -0.050 0.000 1.640 14 G CA 1.198 46.168 45.100 -0.216 0.000 1.018 14 G HN 2.686 nan 8.290 nan 0.000 0.581 15 G N -1.585 107.321 108.800 0.176 0.000 2.697 15 G HA2 -0.050 3.910 3.960 0.000 0.000 0.240 15 G HA3 -0.050 3.910 3.960 0.000 0.000 0.240 15 G C 1.222 176.206 174.900 0.140 0.000 1.346 15 G CA 1.300 46.490 45.100 0.149 0.000 0.887 15 G HN 1.675 nan 8.290 nan 0.000 0.569 16 T N -2.024 112.567 114.554 0.062 0.000 2.867 16 T HA 0.214 4.564 4.350 0.000 0.000 0.268 16 T C 2.666 177.357 174.700 -0.014 0.000 1.057 16 T CA 2.634 64.727 62.100 -0.012 0.000 1.136 16 T CB -0.477 68.415 68.868 0.040 0.000 0.874 16 T HN 1.991 nan 8.240 nan 0.000 0.466 17 A N 1.950 124.769 122.820 -0.002 0.000 1.877 17 A HA 0.257 4.577 4.320 0.000 0.000 0.216 17 A C 2.725 180.253 177.584 -0.093 0.000 1.186 17 A CA 1.670 53.693 52.037 -0.024 0.000 0.620 17 A CB -1.575 17.424 19.000 -0.002 0.000 0.822 17 A HN 0.598 nan 8.150 nan 0.000 0.443 18 G N -1.843 106.858 108.800 -0.165 0.000 2.394 18 G HA2 -0.178 3.782 3.960 0.000 0.000 0.215 18 G HA3 -0.178 3.782 3.960 0.000 0.000 0.215 18 G C 1.409 176.063 174.900 -0.411 0.000 1.165 18 G CA 0.820 45.713 45.100 -0.344 0.000 0.784 18 G HN 0.654 nan 8.290 nan 0.000 0.535 19 W N 0.444 121.658 121.300 -0.143 0.000 2.476 19 W HA 0.258 4.918 4.660 0.000 0.000 0.281 19 W C 2.428 178.846 176.519 -0.167 0.000 1.230 19 W CA -0.367 56.876 57.345 -0.169 0.000 1.287 19 W CB -0.072 29.262 29.460 -0.210 0.000 1.108 19 W HN 0.083 nan 8.180 nan 0.000 0.567 20 I N -0.074 120.500 120.570 0.006 0.000 2.226 20 I HA -0.293 3.877 4.170 0.000 0.000 0.245 20 I C 2.251 178.349 176.117 -0.032 0.000 1.100 20 I CA 1.426 62.707 61.300 -0.032 0.000 1.374 20 I CB -0.787 37.185 38.000 -0.045 0.000 1.057 20 I HN -0.090 nan 8.210 nan 0.000 0.413 21 T N 0.815 115.327 114.554 -0.070 0.000 2.674 21 T HA -0.197 4.153 4.350 0.000 0.000 0.265 21 T C 2.091 176.742 174.700 -0.082 0.000 1.039 21 T CA 1.547 63.589 62.100 -0.097 0.000 1.150 21 T CB -0.410 68.373 68.868 -0.141 0.000 0.864 21 T HN 0.479 nan 8.240 nan 0.000 0.427 22 A N 1.443 124.206 122.820 -0.094 0.000 1.883 22 A HA 0.032 4.352 4.320 0.000 0.000 0.217 22 A C 2.634 180.237 177.584 0.032 0.000 1.186 22 A CA 2.062 54.066 52.037 -0.055 0.000 0.624 22 A CB -1.437 17.522 19.000 -0.069 0.000 0.822 22 A HN 0.528 nan 8.150 nan 0.000 0.444 23 G N -0.466 108.382 108.800 0.079 0.000 2.402 23 G HA2 -0.117 3.843 3.960 0.000 0.000 0.216 23 G HA3 -0.117 3.843 3.960 0.000 0.000 0.216 23 G C 1.574 176.505 174.900 0.052 0.000 1.162 23 G CA 0.971 46.131 45.100 0.100 0.000 0.777 23 G HN 0.426 nan 8.290 nan 0.000 0.539 24 L N -0.126 121.105 121.223 0.014 0.000 2.056 24 L HA 0.017 4.357 4.340 0.000 0.000 0.207 24 L C 2.921 179.796 176.870 0.008 0.000 1.078 24 L CA 0.489 55.325 54.840 -0.007 0.000 0.749 24 L CB -0.369 41.669 42.059 -0.035 0.000 0.901 24 L HN 0.185 nan 8.230 nan 0.000 0.433 25 L N -0.478 120.754 121.223 0.014 0.000 2.017 25 L HA -0.209 4.131 4.340 0.000 0.000 0.208 25 L C 2.881 179.812 176.870 0.101 0.000 1.073 25 L CA 1.323 56.203 54.840 0.067 0.000 0.745 25 L CB -0.705 41.353 42.059 -0.002 0.000 0.894 25 L HN 0.243 nan 8.230 nan 0.000 0.432 26 A N -0.159 122.693 122.820 0.054 0.000 1.902 26 A HA -0.155 4.165 4.320 0.000 0.000 0.217 26 A C 2.500 180.113 177.584 0.048 0.000 1.181 26 A CA 1.707 53.777 52.037 0.054 0.000 0.623 26 A CB -0.730 18.295 19.000 0.043 0.000 0.818 26 A HN 0.412 nan 8.150 nan 0.000 0.443 27 A N -0.325 122.518 122.820 0.038 0.000 1.902 27 A HA -0.136 4.184 4.320 0.000 0.000 0.217 27 A C 1.982 179.549 177.584 -0.029 0.000 1.181 27 A CA 2.130 54.179 52.037 0.020 0.000 0.623 27 A CB -0.441 18.576 19.000 0.028 0.000 0.818 27 A HN 0.550 nan 8.150 nan 0.000 0.443 28 E N -0.708 119.452 120.200 -0.067 0.000 2.106 28 E HA -0.163 4.187 4.350 0.000 0.000 0.192 28 E C 1.750 178.129 176.600 -0.369 0.000 0.984 28 E CA 1.596 57.862 56.400 -0.224 0.000 0.806 28 E CB -0.231 29.299 29.700 -0.284 0.000 0.750 28 E HN 0.739 nan 8.360 nan 0.000 0.458 29 H N -1.518 117.544 119.070 -0.014 0.000 2.729 29 H HA 0.263 4.819 4.556 0.000 0.000 0.263 29 H C 0.728 176.050 175.328 -0.010 0.000 0.961 29 H CA 0.563 56.602 56.048 -0.013 0.000 1.217 29 H CB 0.585 30.335 29.762 -0.021 0.000 1.447 29 H HN 0.115 nan 8.280 nan 0.000 0.496 30 N N 0.331 119.079 118.700 0.080 0.000 2.184 30 N HA 0.096 4.836 4.740 0.000 0.000 0.206 30 N C -0.249 175.275 175.510 0.023 0.000 1.151 30 N CA 0.195 53.275 53.050 0.049 0.000 0.878 30 N CB 1.993 40.506 38.487 0.043 0.000 1.014 30 N HN -0.073 nan 8.380 nan 0.000 0.512 31 V N 0.549 120.471 119.914 0.012 0.000 2.656 31 V HA 0.396 4.516 4.120 0.000 0.000 0.307 31 V C -1.117 174.978 176.094 0.001 0.000 1.051 31 V CA -0.893 61.412 62.300 0.009 0.000 0.893 31 V CB 2.550 34.382 31.823 0.015 0.000 0.999 31 V HN -0.101 nan 8.190 nan 0.000 0.426 32 D N 2.723 123.126 120.400 0.005 0.000 2.757 32 D HA 0.439 5.079 4.640 0.000 0.000 0.249 32 D C -0.166 176.140 176.300 0.010 0.000 1.168 32 D CA -0.567 53.435 54.000 0.003 0.000 0.870 32 D CB 1.290 42.091 40.800 0.003 0.000 1.411 32 D HN 0.547 nan 8.370 nan 0.000 0.525 33 K N 2.677 123.084 120.400 0.012 0.000 3.077 33 K HA -0.173 4.147 4.320 0.000 0.000 0.264 33 K C 0.862 177.478 176.600 0.027 0.000 1.008 33 K CA 0.713 57.012 56.287 0.019 0.000 0.740 33 K CB -1.552 30.959 32.500 0.017 0.000 1.273 33 K HN 0.899 nan 8.250 nan 0.000 0.477 34 G N -1.506 107.313 108.800 0.031 0.000 2.168 34 G HA2 -0.320 3.640 3.960 0.000 0.000 0.263 34 G HA3 -0.320 3.640 3.960 0.000 0.000 0.263 34 G C 0.110 175.028 174.900 0.029 0.000 0.977 34 G CA 0.209 45.333 45.100 0.041 0.000 0.659 34 G HN 0.303 nan 8.290 nan 0.000 0.533 35 V N 1.242 121.168 119.914 0.020 0.000 2.384 35 V HA 0.633 4.753 4.120 0.000 0.000 0.287 35 V C 0.477 176.576 176.094 0.008 0.000 1.020 35 V CA -0.976 61.331 62.300 0.012 0.000 0.850 35 V CB 1.659 33.489 31.823 0.012 0.000 0.987 35 V HN 0.414 nan 8.190 nan 0.000 0.436 36 L N 5.281 126.505 121.223 0.002 0.000 2.410 36 L HA 0.583 4.923 4.340 0.000 0.000 0.273 36 L C 0.841 177.713 176.870 0.003 0.000 1.144 36 L CA 0.486 55.327 54.840 0.000 0.000 0.863 36 L CB 0.581 42.635 42.059 -0.009 0.000 1.140 36 L HN 0.830 nan 8.230 nan 0.000 0.463 37 A N 3.307 126.132 122.820 0.007 0.000 2.483 37 A HA 0.365 4.685 4.320 0.000 0.000 0.238 37 A C 1.468 179.055 177.584 0.006 0.000 1.070 37 A CA 0.762 52.804 52.037 0.008 0.000 0.770 37 A CB -0.416 18.591 19.000 0.012 0.000 1.008 37 A HN 1.218 nan 8.150 nan 0.000 0.497 38 H N 0.537 119.610 119.070 0.005 0.000 2.353 38 H HA 0.144 4.700 4.556 0.000 0.000 0.300 38 H C 1.398 176.728 175.328 0.003 0.000 1.090 38 H CA 1.835 57.886 56.048 0.004 0.000 1.327 38 H CB -0.004 29.760 29.762 0.004 0.000 1.383 38 H HN 0.840 nan 8.280 nan 0.000 0.508 39 S N 1.791 117.494 115.700 0.004 0.000 2.399 39 S HA 0.428 4.898 4.470 0.000 0.000 0.215 39 S C -2.880 171.723 174.600 0.006 0.000 1.456 39 S CA -1.245 56.957 58.200 0.003 0.000 1.199 39 S CB 0.579 63.781 63.200 0.003 0.000 1.063 39 S HN 0.622 nan 8.310 nan 0.000 0.476 40 P HA 0.278 nan 4.420 nan 0.000 0.276 40 P C 0.657 177.961 177.300 0.008 0.000 1.244 40 P CA -0.584 62.522 63.100 0.011 0.000 0.801 40 P CB 1.013 32.719 31.700 0.010 0.000 1.006 41 K N 0.768 121.180 120.400 0.019 0.000 2.009 41 K HA -0.053 4.267 4.320 0.000 0.000 0.210 41 K C 0.463 177.047 176.600 -0.025 0.000 1.049 41 K CA 1.099 57.390 56.287 0.007 0.000 0.929 41 K CB -0.196 32.325 32.500 0.035 0.000 0.714 41 K HN 0.424 nan 8.250 nan 0.000 0.440 42 L N 2.056 123.263 121.223 -0.026 0.000 2.309 42 L HA 0.251 4.591 4.340 0.000 0.000 0.282 42 L C -0.684 176.158 176.870 -0.048 0.000 1.036 42 L CA -0.925 53.878 54.840 -0.062 0.000 0.806 42 L CB 1.528 43.539 42.059 -0.081 0.000 1.220 42 L HN 0.111 nan 8.230 nan 0.000 0.429 43 N N 4.466 123.127 118.700 -0.065 0.000 2.546 43 N HA 0.451 5.191 4.740 0.000 0.000 0.238 43 N C -0.792 174.669 175.510 -0.083 0.000 0.984 43 N CA -0.161 52.854 53.050 -0.059 0.000 0.935 43 N CB 1.592 40.047 38.487 -0.054 0.000 1.122 43 N HN 0.440 nan 8.380 nan 0.000 0.510 44 I N 1.361 121.889 120.570 -0.070 0.000 2.339 44 I HA 0.255 4.426 4.170 0.000 0.000 0.290 44 I C 0.153 176.222 176.117 -0.081 0.000 0.994 44 I CA -0.265 60.978 61.300 -0.094 0.000 1.191 44 I CB 1.434 39.386 38.000 -0.081 0.000 1.343 44 I HN 0.099 nan 8.210 nan 0.000 0.458 45 T N 7.191 121.680 114.554 -0.110 0.000 2.824 45 T HA 0.516 4.866 4.350 0.000 0.000 0.282 45 T C -0.628 173.990 174.700 -0.135 0.000 0.993 45 T CA -0.458 61.592 62.100 -0.085 0.000 0.967 45 T CB 1.718 70.546 68.868 -0.065 0.000 0.960 45 T HN 0.349 nan 8.240 nan 0.000 0.441 46 L N 4.479 125.618 121.223 -0.139 0.000 2.305 46 L HA 0.646 4.986 4.340 0.000 0.000 0.284 46 L C -1.185 175.641 176.870 -0.073 0.000 1.013 46 L CA -0.843 53.851 54.840 -0.243 0.000 0.819 46 L CB 0.570 42.247 42.059 -0.638 0.000 1.227 46 L HN 0.644 nan 8.230 nan 0.000 0.417 47 I N 4.840 125.363 120.570 -0.078 0.000 2.312 47 I HA 0.339 4.509 4.170 0.000 0.000 0.290 47 I C -0.224 175.873 176.117 -0.032 0.000 1.008 47 I CA -0.258 61.029 61.300 -0.022 0.000 1.226 47 I CB 1.541 39.527 38.000 -0.025 0.000 1.371 47 I HN 0.608 nan 8.210 nan 0.000 0.468 48 E N 4.890 125.105 120.200 0.025 0.000 2.171 48 E HA 0.292 4.642 4.350 0.000 0.000 0.271 48 E C -0.601 175.973 176.600 -0.044 0.000 0.916 48 E CA -0.562 55.861 56.400 0.038 0.000 0.774 48 E CB 1.707 31.554 29.700 0.244 0.000 1.128 48 E HN 0.542 nan 8.360 nan 0.000 0.403 49 S N 4.217 119.874 115.700 -0.072 0.000 2.549 49 S HA 0.086 4.556 4.470 0.000 0.000 0.286 49 S C -1.459 173.053 174.600 -0.147 0.000 1.314 49 S CA -1.083 57.013 58.200 -0.173 0.000 1.062 49 S CB 0.713 63.863 63.200 -0.084 0.000 0.865 49 S HN 0.507 nan 8.310 nan 0.000 0.498 50 P HA 0.095 nan 4.420 nan 0.000 0.241 50 P C -0.469 176.819 177.300 -0.021 0.000 1.191 50 P CA 0.119 63.153 63.100 -0.111 0.000 0.771 50 P CB -0.086 31.544 31.700 -0.117 0.000 0.929 51 D N 0.707 121.108 120.400 0.001 0.000 2.414 51 D HA 0.157 4.797 4.640 0.000 0.000 0.242 51 D C 0.849 177.171 176.300 0.037 0.000 1.129 51 D CA 0.079 54.110 54.000 0.051 0.000 0.885 51 D CB 0.705 41.552 40.800 0.078 0.000 1.198 51 D HN -0.006 nan 8.370 nan 0.000 0.437 52 V N 0.927 120.865 119.914 0.039 0.000 2.540 52 V HA 0.352 4.472 4.120 0.000 0.000 0.297 52 V C 0.895 177.011 176.094 0.037 0.000 1.024 52 V CA -0.225 62.097 62.300 0.036 0.000 1.105 52 V CB -0.069 31.774 31.823 0.033 0.000 0.938 52 V HN 0.646 nan 8.190 nan 0.000 0.482 53 A N 4.380 127.223 122.820 0.040 0.000 2.351 53 A HA 0.578 4.898 4.320 0.000 0.000 0.257 53 A C 0.794 178.400 177.584 0.036 0.000 1.087 53 A CA 0.162 52.222 52.037 0.038 0.000 0.798 53 A CB -0.177 18.851 19.000 0.047 0.000 1.033 53 A HN 1.062 nan 8.150 nan 0.000 0.488 54 T N 0.813 115.385 114.554 0.030 0.000 2.934 54 T HA 0.336 4.686 4.350 0.000 0.000 0.306 54 T C 0.576 175.301 174.700 0.042 0.000 1.042 54 T CA 1.044 63.162 62.100 0.031 0.000 1.145 54 T CB -0.348 68.531 68.868 0.019 0.000 0.982 54 T HN 1.062 nan 8.240 nan 0.000 0.544 55 I N 1.510 122.110 120.570 0.049 0.000 2.499 55 I HA 0.847 5.017 4.170 0.000 0.000 0.296 55 I C 0.902 177.063 176.117 0.074 0.000 0.992 55 I CA -0.838 60.497 61.300 0.059 0.000 1.297 55 I CB 0.619 38.652 38.000 0.055 0.000 1.410 55 I HN 0.902 nan 8.210 nan 0.000 0.507 56 G N 1.238 110.089 108.800 0.085 0.000 2.820 56 G HA2 0.652 4.612 3.960 0.000 0.000 0.291 56 G HA3 0.652 4.612 3.960 0.000 0.000 0.291 56 G C 0.319 175.292 174.900 0.122 0.000 1.323 56 G CA 0.477 45.644 45.100 0.111 0.000 1.055 56 G HN 2.078 nan 8.290 nan 0.000 0.520 57 V N -3.317 116.695 119.914 0.162 0.000 3.166 57 V HA 0.692 4.812 4.120 0.000 0.000 0.332 57 V C 0.490 176.683 176.094 0.166 0.000 1.434 57 V CA 0.186 62.585 62.300 0.164 0.000 1.121 57 V CB -0.238 31.707 31.823 0.204 0.000 1.062 57 V HN 2.148 nan 8.190 nan 0.000 0.489 58 G N 0.120 109.003 108.800 0.138 0.000 2.627 58 G HA2 0.231 4.191 3.960 0.000 0.000 0.680 58 G HA3 0.231 4.191 3.960 0.000 0.000 0.680 58 G C -1.188 173.770 174.900 0.097 0.000 1.341 58 G CA -0.159 45.013 45.100 0.119 0.000 0.835 58 G HN 0.709 nan 8.290 nan 0.000 0.643 59 E N -0.260 120.014 120.200 0.123 0.000 2.356 59 E HA 0.704 5.054 4.350 0.000 0.000 0.275 59 E C 0.438 177.172 176.600 0.224 0.000 0.904 59 E CA -0.441 56.032 56.400 0.122 0.000 0.757 59 E CB 1.886 31.670 29.700 0.139 0.000 1.232 59 E HN 1.111 nan 8.360 nan 0.000 0.442 60 G N 0.666 109.614 108.800 0.247 0.000 2.434 60 G HA2 0.557 4.517 3.960 0.000 0.000 0.330 60 G HA3 0.557 4.517 3.960 0.000 0.000 0.330 60 G C -0.448 174.627 174.900 0.292 0.000 1.155 60 G CA -0.116 45.188 45.100 0.339 0.000 0.917 60 G HN 0.474 nan 8.290 nan 0.000 0.493 61 T N -2.305 112.440 114.554 0.318 0.000 2.888 61 T HA 0.664 5.014 4.350 0.000 0.000 0.288 61 T C -0.979 173.978 174.700 0.429 0.000 1.063 61 T CA -0.846 61.424 62.100 0.283 0.000 1.010 61 T CB 1.635 70.640 68.868 0.229 0.000 1.214 61 T HN 0.441 nan 8.240 nan 0.000 0.533 62 W N 0.201 121.427 121.300 -0.123 0.000 2.367 62 W HA 0.496 5.156 4.660 0.000 0.000 0.369 62 W C -1.915 174.238 176.519 -0.611 0.000 1.276 62 W CA -2.282 54.760 57.345 -0.504 0.000 1.415 62 W CB -0.215 29.010 29.460 -0.392 0.000 1.306 62 W HN 0.495 nan 8.180 nan 0.000 0.669 63 P HA -0.123 nan 4.420 nan 0.000 0.225 63 P C 0.701 177.812 177.300 -0.316 0.000 1.148 63 P CA 1.218 63.980 63.100 -0.565 0.000 0.779 63 P CB -0.051 31.243 31.700 -0.677 0.000 0.780 67 S N 0.771 116.307 115.700 -0.273 0.000 2.371 67 S HA -0.084 4.386 4.470 0.000 0.000 0.224 67 S C 1.653 176.117 174.600 -0.227 0.000 1.029 67 S CA 1.927 59.982 58.200 -0.241 0.000 0.978 67 S CB -0.134 62.976 63.200 -0.150 0.000 0.833 67 S HN 0.282 nan 8.310 nan 0.000 0.466 68 T N 3.163 117.611 114.554 -0.176 0.000 2.684 68 T HA -0.032 4.318 4.350 0.000 0.000 0.267 68 T C 1.763 176.364 174.700 -0.166 0.000 1.036 68 T CA 1.127 63.150 62.100 -0.129 0.000 1.148 68 T CB -0.522 68.306 68.868 -0.068 0.000 0.863 68 T HN 0.228 nan 8.240 nan 0.000 0.436 69 L N 0.642 121.709 121.223 -0.260 0.000 2.017 69 L HA -0.121 4.219 4.340 0.000 0.000 0.208 69 L C 2.895 179.563 176.870 -0.336 0.000 1.073 69 L CA 1.243 55.905 54.840 -0.296 0.000 0.745 69 L CB -0.611 41.198 42.059 -0.418 0.000 0.894 69 L HN 0.278 nan 8.230 nan 0.000 0.432 70 S N -0.219 115.143 115.700 -0.564 0.000 2.368 70 S HA -0.200 4.270 4.470 0.000 0.000 0.225 70 S C 2.017 176.523 174.600 -0.157 0.000 1.030 70 S CA 1.377 59.343 58.200 -0.392 0.000 0.999 70 S CB -0.028 62.900 63.200 -0.453 0.000 0.844 70 S HN 0.305 nan 8.310 nan 0.000 0.459 71 K N 0.402 120.713 120.400 -0.148 0.000 2.057 71 K HA 0.006 4.326 4.320 0.000 0.000 0.207 71 K C 2.003 178.583 176.600 -0.034 0.000 1.049 71 K CA 1.588 57.829 56.287 -0.077 0.000 0.931 71 K CB -0.321 32.132 32.500 -0.079 0.000 0.714 71 K HN 0.451 nan 8.250 nan 0.000 0.440 72 I N -0.160 120.383 120.570 -0.045 0.000 2.394 72 I HA -0.135 4.035 4.170 0.000 0.000 0.251 72 I C 1.206 177.360 176.117 0.062 0.000 1.136 72 I CA 1.122 62.428 61.300 0.011 0.000 1.425 72 I CB -0.134 37.847 38.000 -0.032 0.000 1.079 72 I HN 0.468 nan 8.210 nan 0.000 0.425 73 G N 1.127 109.916 108.800 -0.017 0.000 2.135 73 G HA2 -0.153 3.807 3.960 0.000 0.000 0.183 73 G HA3 -0.153 3.807 3.960 0.000 0.000 0.183 73 G C 0.055 174.931 174.900 -0.041 0.000 1.004 73 G CA -0.668 44.462 45.100 0.050 0.000 0.677 73 G HN 0.100 nan 8.290 nan 0.000 0.512 74 I N 1.592 122.083 120.570 -0.131 0.000 2.395 74 I HA 0.281 4.451 4.170 0.000 0.000 0.289 74 I C 0.451 176.679 176.117 0.184 0.000 1.023 74 I CA -1.103 60.162 61.300 -0.059 0.000 1.350 74 I CB 1.198 39.167 38.000 -0.052 0.000 1.409 74 I HN 0.217 nan 8.210 nan 0.000 0.507 75 D N 5.248 125.752 120.400 0.174 0.000 2.351 75 D HA -0.019 4.621 4.640 0.000 0.000 0.251 75 D C 0.905 177.315 176.300 0.184 0.000 1.137 75 D CA 0.012 54.125 54.000 0.189 0.000 0.879 75 D CB 1.381 42.262 40.800 0.136 0.000 1.181 75 D HN 0.651 nan 8.370 nan 0.000 0.448 76 E N 3.115 123.327 120.200 0.019 0.000 2.110 76 E HA -0.199 4.151 4.350 0.000 0.000 0.193 76 E C 1.196 177.907 176.600 0.185 0.000 0.988 76 E CA 0.834 57.211 56.400 -0.039 0.000 0.804 76 E CB 0.246 29.658 29.700 -0.480 0.000 0.745 76 E HN 0.466 nan 8.360 nan 0.000 0.458 77 N N 1.220 120.013 118.700 0.156 0.000 2.084 77 N HA -0.152 4.588 4.740 0.000 0.000 0.190 77 N C 1.371 176.926 175.510 0.075 0.000 1.030 77 N CA 1.321 54.439 53.050 0.114 0.000 0.849 77 N CB -0.419 38.111 38.487 0.071 0.000 1.012 77 N HN 0.219 nan 8.380 nan 0.000 0.423 78 D N 0.644 121.100 120.400 0.093 0.000 2.104 78 D HA -0.146 4.494 4.640 0.000 0.000 0.194 78 D C 1.747 178.091 176.300 0.073 0.000 0.994 78 D CA 0.577 54.622 54.000 0.075 0.000 0.830 78 D CB -0.572 40.288 40.800 0.099 0.000 0.959 78 D HN 0.193 nan 8.370 nan 0.000 0.452 79 F N 1.421 121.360 119.950 -0.017 0.000 2.069 79 F HA -0.176 4.351 4.527 0.000 0.000 0.298 79 F C 2.219 177.940 175.800 -0.132 0.000 1.113 79 F CA 1.303 59.253 58.000 -0.083 0.000 1.214 79 F CB -0.450 38.473 39.000 -0.129 0.000 0.978 79 F HN -0.116 nan 8.300 nan 0.000 0.474 80 I N 0.150 120.583 120.570 -0.228 0.000 2.226 80 I HA -0.311 3.859 4.170 0.000 0.000 0.245 80 I C 2.571 178.520 176.117 -0.281 0.000 1.100 80 I CA 1.557 62.659 61.300 -0.329 0.000 1.374 80 I CB -0.468 37.493 38.000 -0.065 0.000 1.057 80 I HN 0.130 nan 8.210 nan 0.000 0.413 81 R N 0.273 120.676 120.500 -0.160 0.000 2.075 81 R HA -0.144 4.196 4.340 0.000 0.000 0.232 81 R C 2.215 178.433 176.300 -0.137 0.000 1.126 81 R CA 1.252 57.279 56.100 -0.121 0.000 0.963 81 R CB -0.215 30.043 30.300 -0.070 0.000 0.858 81 R HN 0.461 nan 8.270 nan 0.000 0.435 82 Q N -0.997 118.714 119.800 -0.149 0.000 2.354 82 Q HA 0.018 4.358 4.340 0.000 0.000 0.203 82 Q C 1.082 176.988 176.000 -0.157 0.000 0.933 82 Q CA 0.563 56.298 55.803 -0.114 0.000 0.901 82 Q CB 0.651 29.357 28.738 -0.054 0.000 1.007 82 Q HN 0.327 nan 8.270 nan 0.000 0.495 83 C N 1.169 120.280 119.300 -0.315 0.000 3.000 83 C HA 0.149 4.609 4.460 0.000 0.000 0.286 83 C C -0.421 174.393 174.990 -0.293 0.000 1.343 83 C CA -0.730 58.084 59.018 -0.341 0.000 1.742 83 C CB -0.578 26.763 27.740 -0.666 0.000 2.200 83 C HN 0.436 nan 8.230 nan 0.000 0.621 84 D N 1.595 121.858 120.400 -0.228 0.000 2.689 84 D HA -0.159 4.481 4.640 0.000 0.000 0.237 84 D C 0.326 176.527 176.300 -0.165 0.000 1.148 84 D CA 1.380 55.291 54.000 -0.147 0.000 0.656 84 D CB -0.931 39.826 40.800 -0.070 0.000 1.050 84 D HN 0.654 nan 8.370 nan 0.000 0.426 85 A N 0.197 122.847 122.820 -0.282 0.000 2.295 85 A HA 0.759 5.079 4.320 0.000 0.000 0.318 85 A C 0.710 178.193 177.584 -0.168 0.000 1.134 85 A CA 0.155 52.041 52.037 -0.251 0.000 0.827 85 A CB 1.259 19.948 19.000 -0.518 0.000 1.136 85 A HN 0.351 nan 8.150 nan 0.000 0.493 86 S N -0.047 115.619 115.700 -0.056 0.000 2.667 86 S HA 0.824 5.294 4.470 0.000 0.000 0.292 86 S C -0.809 173.713 174.600 -0.130 0.000 1.126 86 S CA -0.652 57.472 58.200 -0.126 0.000 0.881 86 S CB 0.750 64.015 63.200 0.109 0.000 1.132 86 S HN 0.401 nan 8.310 nan 0.000 0.492 87 F N 1.390 121.439 119.950 0.164 0.000 2.410 87 F HA 0.545 5.072 4.527 0.000 0.000 0.348 87 F C 0.748 176.521 175.800 -0.045 0.000 1.106 87 F CA -0.437 57.590 58.000 0.044 0.000 1.163 87 F CB 0.964 39.898 39.000 -0.110 0.000 1.129 87 F HN 0.593 nan 8.300 nan 0.000 0.516 88 K N 2.822 123.246 120.400 0.039 0.000 2.323 88 K HA 0.308 4.628 4.320 0.000 0.000 0.259 88 K C -0.206 176.439 176.600 0.075 0.000 0.947 88 K CA -0.407 55.792 56.287 -0.147 0.000 0.819 88 K CB 1.069 33.317 32.500 -0.421 0.000 1.109 88 K HN 0.779 nan 8.250 nan 0.000 0.429 89 Q N 2.157 121.914 119.800 -0.071 0.000 2.219 89 Q HA 0.240 4.580 4.340 0.000 0.000 0.209 89 Q C 0.162 175.788 176.000 -0.622 0.000 0.854 89 Q CA -0.109 55.613 55.803 -0.135 0.000 0.960 89 Q CB 1.401 30.096 28.738 -0.071 0.000 1.116 89 Q HN 0.970 nan 8.270 nan 0.000 0.500 90 G N -0.002 108.198 108.800 -0.999 0.000 2.339 90 G HA2 0.001 3.961 3.960 0.000 0.000 0.275 90 G HA3 0.001 3.961 3.960 0.000 0.000 0.275 90 G C -1.343 173.144 174.900 -0.689 0.000 1.323 90 G CA -0.848 43.481 45.100 -1.284 0.000 0.927 90 G HN -0.042 nan 8.290 nan 0.000 0.486 91 S N -0.331 115.007 115.700 -0.603 0.000 2.502 91 S HA 0.681 5.151 4.470 0.000 0.000 0.304 91 S C -0.114 174.061 174.600 -0.708 0.000 1.097 91 S CA -0.629 57.223 58.200 -0.580 0.000 1.045 91 S CB 1.848 64.644 63.200 -0.672 0.000 1.019 91 S HN 0.733 nan 8.310 nan 0.000 0.481 92 R N 2.516 122.615 120.500 -0.668 0.000 2.255 92 R HA 0.452 4.792 4.340 0.000 0.000 0.326 92 R C -1.655 174.135 176.300 -0.850 0.000 0.986 92 R CA -0.386 55.321 56.100 -0.656 0.000 0.847 92 R CB 0.322 30.299 30.300 -0.538 0.000 1.111 92 R HN 0.473 nan 8.270 nan 0.000 0.452 93 F N 5.898 125.478 119.950 -0.616 0.000 2.385 93 F HA 0.438 4.965 4.527 0.000 0.000 0.360 93 F C 0.110 175.816 175.800 -0.157 0.000 1.122 93 F CA -0.571 57.111 58.000 -0.531 0.000 1.090 93 F CB 1.218 39.530 39.000 -1.147 0.000 1.150 93 F HN 0.278 nan 8.300 nan 0.000 0.472 94 I N 4.001 124.751 120.570 0.300 0.000 2.433 94 I HA 0.289 4.459 4.170 0.000 0.000 0.292 94 I C -0.197 176.121 176.117 0.334 0.000 1.001 94 I CA -0.798 60.642 61.300 0.233 0.000 1.119 94 I CB 1.416 39.493 38.000 0.127 0.000 1.289 94 I HN 0.568 nan 8.210 nan 0.000 0.438 95 N N 3.487 122.316 118.700 0.215 0.000 2.741 95 N HA -0.230 4.510 4.740 0.000 0.000 0.251 95 N C 0.148 175.664 175.510 0.010 0.000 1.112 95 N CA 1.022 54.127 53.050 0.092 0.000 0.750 95 N CB -1.158 37.346 38.487 0.028 0.000 1.119 95 N HN 0.741 nan 8.380 nan 0.000 0.561 96 W N -0.275 121.015 121.300 -0.018 0.000 2.576 96 W HA 0.157 4.817 4.660 -0.000 0.000 0.270 96 W C 2.065 178.469 176.519 -0.191 0.000 1.255 96 W CA 0.606 57.884 57.345 -0.111 0.000 1.314 96 W CB -0.275 29.212 29.460 0.044 0.000 1.101 96 W HN 0.251 nan 8.180 nan 0.000 0.595 97 C N -0.671 118.710 119.300 0.134 0.000 2.492 97 C HA 0.122 4.582 4.460 0.000 0.000 0.279 97 C C 0.931 175.907 174.990 -0.024 0.000 1.335 97 C CA 0.511 59.567 59.018 0.063 0.000 1.734 97 C CB -0.876 26.917 27.740 0.088 0.000 2.027 97 C HN -0.040 nan 8.230 nan 0.000 0.496 98 K N 0.746 121.113 120.400 -0.055 0.000 2.443 98 K HA 0.270 4.590 4.320 0.000 0.000 0.251 98 K C -1.462 175.072 176.600 -0.111 0.000 0.972 98 K CA -0.656 55.595 56.287 -0.060 0.000 0.833 98 K CB 1.000 33.492 32.500 -0.013 0.000 1.317 98 K HN 0.042 nan 8.250 nan 0.000 0.441 99 D N 3.269 123.616 120.400 -0.089 0.000 2.472 99 D HA 0.036 4.676 4.640 0.000 0.000 0.248 99 D C -2.213 174.058 176.300 -0.047 0.000 1.174 99 D CA -0.562 53.391 54.000 -0.079 0.000 0.883 99 D CB 0.408 41.189 40.800 -0.033 0.000 1.149 99 D HN 0.095 nan 8.370 nan 0.000 0.488 100 P HA 0.035 nan 4.420 nan 0.000 0.264 100 P C -0.513 176.783 177.300 -0.005 0.000 1.193 100 P CA 0.300 63.388 63.100 -0.020 0.000 0.763 100 P CB 0.614 32.304 31.700 -0.017 0.000 0.810 101 Q N 0.727 120.529 119.800 0.002 0.000 2.375 101 Q HA 0.233 4.573 4.340 0.000 0.000 0.271 101 Q C 0.966 176.972 176.000 0.009 0.000 1.074 101 Q CA -0.512 55.295 55.803 0.006 0.000 0.808 101 Q CB 1.784 30.527 28.738 0.008 0.000 1.327 101 Q HN 0.463 nan 8.270 nan 0.000 0.441 102 S N 1.033 116.738 115.700 0.009 0.000 2.419 102 S HA -0.152 4.318 4.470 0.000 0.000 0.233 102 S C 0.958 175.565 174.600 0.011 0.000 1.016 102 S CA 1.520 59.726 58.200 0.009 0.000 0.974 102 S CB -0.163 63.041 63.200 0.007 0.000 0.786 102 S HN 0.787 nan 8.310 nan 0.000 0.492 103 N N 0.748 119.455 118.700 0.011 0.000 2.273 103 N HA 0.143 4.883 4.740 0.000 0.000 0.231 103 N C -0.704 174.815 175.510 0.016 0.000 1.134 103 N CA -0.245 52.813 53.050 0.012 0.000 0.856 103 N CB 0.481 38.974 38.487 0.011 0.000 1.068 103 N HN 0.319 nan 8.380 nan 0.000 0.510 104 V N 0.954 120.878 119.914 0.018 0.000 2.380 104 V HA 0.581 4.701 4.120 0.000 0.000 0.286 104 V C 0.151 176.262 176.094 0.029 0.000 1.015 104 V CA -1.361 60.953 62.300 0.023 0.000 0.834 104 V CB 0.850 32.685 31.823 0.020 0.000 1.009 104 V HN 0.386 nan 8.190 nan 0.000 0.428 105 A N 3.347 126.187 122.820 0.033 0.000 2.477 105 A HA 0.501 4.821 4.320 0.000 0.000 0.246 105 A C -0.000 177.617 177.584 0.056 0.000 1.078 105 A CA 0.268 52.330 52.037 0.041 0.000 0.770 105 A CB 0.153 19.177 19.000 0.040 0.000 1.011 105 A HN 0.838 nan 8.150 nan 0.000 0.494 106 D N 0.694 121.134 120.400 0.067 0.000 2.336 106 D HA 0.479 5.119 4.640 0.000 0.000 0.248 106 D C -1.123 175.252 176.300 0.125 0.000 1.326 106 D CA 0.170 54.229 54.000 0.098 0.000 0.973 106 D CB 0.873 41.724 40.800 0.086 0.000 1.255 106 D HN 0.439 nan 8.370 nan 0.000 0.558 107 S N 3.022 118.805 115.700 0.139 0.000 2.535 107 S HA 0.678 5.148 4.470 0.000 0.000 0.272 107 S C -1.830 172.878 174.600 0.181 0.000 1.149 107 S CA -0.722 57.545 58.200 0.111 0.000 0.888 107 S CB 0.503 63.719 63.200 0.025 0.000 1.110 107 S HN 0.377 nan 8.310 nan 0.000 0.463 108 Y N 2.201 122.531 120.300 0.050 0.000 2.625 108 Y HA 0.856 5.406 4.550 0.000 0.000 0.338 108 Y C -1.914 174.001 175.900 0.024 0.000 1.123 108 Y CA -1.410 56.711 58.100 0.036 0.000 1.046 108 Y CB 0.798 39.285 38.460 0.044 0.000 1.299 108 Y HN 0.601 nan 8.280 nan 0.000 0.464 109 L N 3.049 124.305 121.223 0.054 0.000 2.317 109 L HA 0.444 4.784 4.340 0.000 0.000 0.281 109 L C -0.943 175.956 176.870 0.048 0.000 1.024 109 L CA -0.496 54.286 54.840 -0.097 0.000 0.810 109 L CB 1.233 43.210 42.059 -0.137 0.000 1.240 109 L HN 0.932 nan 8.230 nan 0.000 0.427 110 H N 5.927 124.898 119.070 -0.165 0.000 2.690 110 H HA 0.463 5.019 4.556 0.000 0.000 0.280 110 H C -2.519 172.536 175.328 -0.454 0.000 1.138 110 H CA -2.400 53.528 56.048 -0.200 0.000 1.241 110 H CB 1.047 30.875 29.762 0.110 0.000 1.394 110 H HN 0.465 nan 8.280 nan 0.000 0.489 111 P HA 0.017 nan 4.420 nan 0.000 0.279 111 P C 0.170 177.207 177.300 -0.438 0.000 1.252 111 P CA -0.432 62.331 63.100 -0.562 0.000 0.811 111 P CB 1.046 32.440 31.700 -0.511 0.000 1.035 112 F N -0.926 118.830 119.950 -0.324 0.000 2.367 112 F HA 0.012 4.539 4.527 0.000 0.000 0.298 112 F C 1.514 177.197 175.800 -0.195 0.000 1.094 112 F CA 0.607 58.434 58.000 -0.287 0.000 1.409 112 F CB -0.920 37.903 39.000 -0.296 0.000 1.064 112 F HN 0.139 nan 8.300 nan 0.000 0.528 113 S N 1.424 117.134 115.700 0.017 0.000 2.549 113 S HA 0.235 4.705 4.470 0.000 0.000 0.283 113 S C 0.279 174.949 174.600 0.118 0.000 1.320 113 S CA -0.441 57.779 58.200 0.033 0.000 1.058 113 S CB 0.258 63.483 63.200 0.042 0.000 0.882 113 S HN 0.009 nan 8.310 nan 0.000 0.498 114 L N 4.065 125.330 121.223 0.069 0.000 2.453 114 L HA 0.290 4.630 4.340 0.000 0.000 0.261 114 L C -2.046 174.908 176.870 0.139 0.000 1.179 114 L CA -2.048 52.814 54.840 0.036 0.000 0.813 114 L CB -0.244 41.598 42.059 -0.362 0.000 1.110 114 L HN 0.351 nan 8.230 nan 0.000 0.466 115 P HA -0.053 nan 4.420 nan 0.000 0.264 115 P C -0.681 176.740 177.300 0.201 0.000 1.183 115 P CA 0.080 63.237 63.100 0.095 0.000 0.763 115 P CB 0.239 31.942 31.700 0.004 0.000 0.807 116 H N 2.374 121.487 119.070 0.072 0.000 2.972 116 H HA 0.261 4.817 4.556 0.000 0.000 0.343 116 H C 1.573 176.903 175.328 0.004 0.000 1.054 116 H CA 1.947 58.029 56.048 0.058 0.000 1.412 116 H CB -0.206 29.567 29.762 0.018 0.000 1.385 116 H HN 0.741 nan 8.280 nan 0.000 0.600 117 G N 3.422 111.903 108.800 -0.532 0.000 2.179 117 G HA2 -0.405 3.555 3.960 0.000 0.000 0.257 117 G HA3 -0.405 3.555 3.960 0.000 0.000 0.257 117 G C 0.883 175.632 174.900 -0.251 0.000 1.010 117 G CA 1.218 46.072 45.100 -0.411 0.000 0.736 117 G HN 1.076 nan 8.290 nan 0.000 0.513 118 H N -2.313 116.685 119.070 -0.120 0.000 2.457 118 H HA 0.064 4.620 4.556 0.000 0.000 0.297 118 H C 2.287 177.582 175.328 -0.056 0.000 1.092 118 H CA 1.867 57.879 56.048 -0.060 0.000 1.309 118 H CB -0.279 29.465 29.762 -0.029 0.000 1.382 118 H HN 0.405 nan 8.280 nan 0.000 0.535 119 Q N 0.118 119.662 119.800 -0.427 0.000 2.369 119 Q HA -0.024 4.316 4.340 0.000 0.000 0.206 119 Q C 1.674 177.592 176.000 -0.137 0.000 0.963 119 Q CA 1.384 57.057 55.803 -0.218 0.000 0.894 119 Q CB 0.073 28.646 28.738 -0.275 0.000 0.965 119 Q HN 0.869 nan 8.270 nan 0.000 0.475 120 E N -1.192 118.915 120.200 -0.156 0.000 2.244 120 E HA 0.294 4.644 4.350 0.000 0.000 0.196 120 E C -0.136 176.410 176.600 -0.091 0.000 0.939 120 E CA 0.111 56.440 56.400 -0.119 0.000 0.884 120 E CB 0.721 30.334 29.700 -0.145 0.000 0.850 120 E HN 0.129 nan 8.360 nan 0.000 0.481 121 L N 0.963 122.135 121.223 -0.085 0.000 2.643 121 L HA 0.219 4.559 4.340 0.000 0.000 0.257 121 L C -2.150 174.715 176.870 -0.008 0.000 0.922 121 L CA -0.646 54.156 54.840 -0.063 0.000 0.909 121 L CB 2.181 44.140 42.059 -0.166 0.000 1.424 121 L HN -0.218 nan 8.230 nan 0.000 0.422 122 D N 4.320 124.763 120.400 0.072 0.000 2.352 122 D HA 0.212 4.852 4.640 0.000 0.000 0.245 122 D C 0.989 177.416 176.300 0.213 0.000 1.224 122 D CA 0.133 54.208 54.000 0.125 0.000 0.879 122 D CB 0.789 41.662 40.800 0.121 0.000 1.057 122 D HN 0.666 nan 8.370 nan 0.000 0.491 123 L N 3.182 124.511 121.223 0.177 0.000 2.291 123 L HA -0.101 4.239 4.340 0.000 0.000 0.214 123 L C 2.575 179.747 176.870 0.504 0.000 1.120 123 L CA 0.106 55.094 54.840 0.247 0.000 0.799 123 L CB -0.263 41.829 42.059 0.054 0.000 0.925 123 L HN 0.550 nan 8.230 nan 0.000 0.446 124 C N 1.855 121.406 119.300 0.419 0.000 2.367 124 C HA -0.132 4.328 4.460 0.000 0.000 0.276 124 C C 0.378 175.526 174.990 0.264 0.000 1.195 124 C CA 1.613 60.849 59.018 0.364 0.000 1.756 124 C CB -1.327 26.445 27.740 0.054 0.000 2.046 124 C HN 0.323 nan 8.230 nan 0.000 0.453 125 P HA -0.100 nan 4.420 nan 0.000 0.222 125 P C 0.760 177.962 177.300 -0.163 0.000 1.147 125 P CA 1.719 64.758 63.100 -0.101 0.000 0.790 125 P CB -0.424 31.141 31.700 -0.226 0.000 0.780 126 Y N -2.184 118.256 120.300 0.232 0.000 2.373 126 Y HA -0.059 4.491 4.550 0.000 0.000 0.293 126 Y C 2.598 178.807 175.900 0.515 0.000 1.129 126 Y CA 0.475 58.776 58.100 0.335 0.000 1.226 126 Y CB -1.054 37.600 38.460 0.323 0.000 1.000 126 Y HN 0.034 nan 8.280 nan 0.000 0.549 127 W N 0.429 122.043 121.300 0.523 0.000 2.476 127 W HA -0.064 4.596 4.660 0.000 0.000 0.281 127 W C 1.430 178.011 176.519 0.103 0.000 1.230 127 W CA 1.014 58.571 57.345 0.353 0.000 1.287 127 W CB -0.481 29.229 29.460 0.416 0.000 1.108 127 W HN -0.034 nan 8.180 nan 0.000 0.567 128 L N 1.337 122.308 121.223 -0.419 0.000 2.021 128 L HA -0.240 4.100 4.340 0.000 0.000 0.215 128 L C -0.294 176.063 176.870 -0.854 0.000 1.074 128 L CA 1.865 56.174 54.840 -0.885 0.000 0.760 128 L CB -2.201 39.577 42.059 -0.469 0.000 0.889 128 L HN -0.039 nan 8.230 nan 0.000 0.433 129 P HA -0.143 nan 4.420 nan 0.000 0.223 129 P C 0.752 177.534 177.300 -0.864 0.000 1.144 129 P CA 1.358 64.031 63.100 -0.713 0.000 0.783 129 P CB -0.073 31.190 31.700 -0.728 0.000 0.771 130 H N -2.025 116.709 119.070 -0.560 0.000 2.542 130 H HA 0.413 4.969 4.556 0.000 0.000 0.283 130 H C 1.634 176.683 175.328 -0.465 0.000 1.059 130 H CA 0.156 55.941 56.048 -0.438 0.000 1.162 130 H CB 0.030 29.576 29.762 -0.359 0.000 1.539 130 H HN 0.065 nan 8.280 nan 0.000 0.543 131 A N 1.056 123.495 122.820 -0.634 0.000 2.024 131 A HA -0.145 4.175 4.320 0.000 0.000 0.220 131 A C 1.994 179.565 177.584 -0.021 0.000 1.164 131 A CA 1.231 53.034 52.037 -0.391 0.000 0.643 131 A CB 0.056 18.736 19.000 -0.533 0.000 0.806 131 A HN 0.172 nan 8.150 nan 0.000 0.451 132 E N -0.670 119.485 120.200 -0.075 0.000 2.435 132 E HA -0.055 4.295 4.350 0.000 0.000 0.195 132 E C 1.653 178.267 176.600 0.022 0.000 1.029 132 E CA 0.758 57.151 56.400 -0.012 0.000 0.865 132 E CB -0.009 29.665 29.700 -0.042 0.000 0.833 132 E HN 0.733 nan 8.360 nan 0.000 0.510 133 Q N -0.513 119.306 119.800 0.030 0.000 2.396 133 Q HA 0.170 4.510 4.340 0.000 0.000 0.220 133 Q C 0.280 176.330 176.000 0.083 0.000 0.900 133 Q CA 0.155 55.986 55.803 0.046 0.000 0.925 133 Q CB 1.462 30.220 28.738 0.033 0.000 1.065 133 Q HN -0.015 nan 8.270 nan 0.000 0.535 134 V N 0.125 120.135 119.914 0.160 0.000 2.969 134 V HA 0.491 4.611 4.120 0.000 0.000 0.304 134 V C -1.184 175.153 176.094 0.406 0.000 1.192 134 V CA -0.738 61.687 62.300 0.208 0.000 0.962 134 V CB 2.254 34.165 31.823 0.147 0.000 1.045 134 V HN 0.293 nan 8.190 nan 0.000 0.428 135 S N 4.906 120.767 115.700 0.267 0.000 2.579 135 S HA 0.206 4.676 4.470 0.000 0.000 0.275 135 S C 0.878 175.500 174.600 0.036 0.000 1.345 135 S CA 0.306 58.653 58.200 0.244 0.000 1.031 135 S CB 0.685 63.966 63.200 0.134 0.000 0.892 135 S HN 1.038 nan 8.310 nan 0.000 0.529 136 F N 2.612 122.208 119.950 -0.590 0.000 2.091 136 F HA -0.110 4.417 4.527 0.000 0.000 0.299 136 F C 2.404 177.947 175.800 -0.428 0.000 1.103 136 F CA 1.873 59.096 58.000 -1.296 0.000 1.228 136 F CB -1.193 36.964 39.000 -1.405 0.000 0.984 136 F HN 0.773 nan 8.300 nan 0.000 0.477 137 A N -0.289 122.378 122.820 -0.255 0.000 1.902 137 A HA -0.233 4.087 4.320 0.000 0.000 0.217 137 A C 2.260 179.753 177.584 -0.152 0.000 1.181 137 A CA 1.713 53.645 52.037 -0.174 0.000 0.623 137 A CB -1.073 17.912 19.000 -0.025 0.000 0.818 137 A HN 0.590 nan 8.150 nan 0.000 0.443 138 E N -0.172 119.975 120.200 -0.088 0.000 2.110 138 E HA -0.125 4.225 4.350 0.000 0.000 0.193 138 E C 2.053 178.623 176.600 -0.050 0.000 0.988 138 E CA 0.982 57.353 56.400 -0.048 0.000 0.804 138 E CB -0.235 29.464 29.700 -0.002 0.000 0.745 138 E HN 0.552 nan 8.360 nan 0.000 0.458 139 A N 0.420 123.192 122.820 -0.080 0.000 1.969 139 A HA -0.106 4.214 4.320 0.000 0.000 0.218 139 A C 2.146 179.800 177.584 0.116 0.000 1.169 139 A CA 1.629 53.669 52.037 0.005 0.000 0.635 139 A CB -0.167 18.852 19.000 0.032 0.000 0.810 139 A HN 0.340 nan 8.150 nan 0.000 0.445 140 V N -5.771 114.097 119.914 -0.077 0.000 3.556 140 V HA 0.380 4.500 4.120 0.000 0.000 0.287 140 V C 0.482 176.576 176.094 -0.000 0.000 1.422 140 V CA -0.076 62.202 62.300 -0.036 0.000 1.038 140 V CB -0.812 30.849 31.823 -0.270 0.000 0.850 140 V HN 0.490 nan 8.190 nan 0.000 0.437 141 C N 0.421 119.706 119.300 -0.026 0.000 2.994 141 C HA 0.745 5.205 4.460 0.000 0.000 0.304 141 C C 1.809 176.789 174.990 -0.017 0.000 1.273 141 C CA 0.519 59.543 59.018 0.011 0.000 1.537 141 C CB 1.945 29.685 27.740 0.000 0.000 2.001 141 C HN 0.591 nan 8.230 nan 0.000 0.471 142 S N 1.120 116.817 115.700 -0.005 0.000 2.503 142 S HA -0.008 4.462 4.470 0.000 0.000 0.215 142 S C 1.151 175.735 174.600 -0.027 0.000 1.003 142 S CA 0.395 58.584 58.200 -0.017 0.000 0.910 142 S CB -0.252 62.944 63.200 -0.006 0.000 0.790 142 S HN 0.865 nan 8.310 nan 0.000 0.514 143 Q N 0.625 120.401 119.800 -0.040 0.000 2.224 143 Q HA -0.113 4.227 4.340 0.000 0.000 0.203 143 Q C 2.162 178.117 176.000 -0.075 0.000 0.970 143 Q CA 1.361 57.126 55.803 -0.063 0.000 0.865 143 Q CB -0.188 28.491 28.738 -0.099 0.000 0.922 143 Q HN 0.605 nan 8.270 nan 0.000 0.445 144 Q N 0.431 120.184 119.800 -0.078 0.000 2.030 144 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 144 Q C 1.898 177.874 176.000 -0.040 0.000 0.986 144 Q CA 1.856 57.619 55.803 -0.067 0.000 0.843 144 Q CB -0.401 28.305 28.738 -0.053 0.000 0.904 144 Q HN 0.204 nan 8.270 nan 0.000 0.420 145 V N 0.493 120.389 119.914 -0.030 0.000 2.343 145 V HA -0.239 3.881 4.120 0.000 0.000 0.247 145 V C 2.377 178.462 176.094 -0.016 0.000 1.051 145 V CA 1.804 64.094 62.300 -0.018 0.000 1.036 145 V CB -0.587 31.227 31.823 -0.015 0.000 0.654 145 V HN 0.367 nan 8.190 nan 0.000 0.451 146 L N 0.418 121.629 121.223 -0.020 0.000 2.056 146 L HA -0.134 4.206 4.340 0.000 0.000 0.207 146 L C 2.788 179.651 176.870 -0.011 0.000 1.078 146 L CA 1.984 56.815 54.840 -0.015 0.000 0.749 146 L CB -1.139 40.911 42.059 -0.016 0.000 0.901 146 L HN 0.568 nan 8.230 nan 0.000 0.433 147 T N -3.488 111.054 114.554 -0.020 0.000 2.904 147 T HA -0.185 4.165 4.350 0.000 0.000 0.267 147 T C 1.782 176.488 174.700 0.009 0.000 1.059 147 T CA 0.818 62.913 62.100 -0.009 0.000 1.137 147 T CB -0.258 68.590 68.868 -0.034 0.000 0.879 147 T HN 0.322 nan 8.240 nan 0.000 0.467 148 Q N 0.675 120.473 119.800 -0.003 0.000 2.181 148 Q HA 0.089 4.429 4.340 0.000 0.000 0.205 148 Q C 2.073 178.082 176.000 0.016 0.000 0.980 148 Q CA 1.167 56.974 55.803 0.007 0.000 0.862 148 Q CB -0.426 28.311 28.738 -0.002 0.000 0.905 148 Q HN 0.528 nan 8.270 nan 0.000 0.429 149 L N -0.705 120.524 121.223 0.010 0.000 2.599 149 L HA 0.112 4.453 4.340 0.000 0.000 0.230 149 L C 1.003 177.881 176.870 0.015 0.000 1.141 149 L CA 0.272 55.118 54.840 0.010 0.000 0.877 149 L CB -0.136 41.926 42.059 0.004 0.000 1.009 149 L HN 0.383 nan 8.230 nan 0.000 0.447 150 G N 0.719 109.534 108.800 0.024 0.000 2.176 150 G HA2 -0.275 3.685 3.960 0.000 0.000 0.252 150 G HA3 -0.275 3.685 3.960 0.000 0.000 0.252 150 G C 0.123 175.038 174.900 0.026 0.000 1.024 150 G CA -0.003 45.116 45.100 0.031 0.000 0.755 150 G HN 0.262 nan 8.290 nan 0.000 0.507 151 L N -0.234 120.999 121.223 0.016 0.000 2.399 151 L HA 0.750 5.091 4.340 0.000 0.000 0.265 151 L C 1.148 178.017 176.870 -0.003 0.000 1.089 151 L CA -0.525 54.319 54.840 0.005 0.000 0.802 151 L CB 1.197 43.253 42.059 -0.005 0.000 1.180 151 L HN 0.287 nan 8.230 nan 0.000 0.454 152 A N 2.596 125.400 122.820 -0.027 0.000 2.296 152 A HA 0.469 4.789 4.320 0.000 0.000 0.264 152 A C -1.819 175.668 177.584 -0.162 0.000 1.097 152 A CA -1.048 50.930 52.037 -0.098 0.000 0.811 152 A CB -0.162 18.751 19.000 -0.145 0.000 1.072 152 A HN 0.643 nan 8.150 nan 0.000 0.495 153 P HA 0.129 nan 4.420 nan 0.000 0.255 153 P C -0.382 176.802 177.300 -0.194 0.000 1.248 153 P CA 0.609 63.576 63.100 -0.221 0.000 0.807 153 P CB -0.064 31.471 31.700 -0.275 0.000 1.150 154 K N -2.544 117.676 120.400 -0.299 0.000 2.617 154 K HA 0.578 4.898 4.320 0.000 0.000 0.293 154 K C -1.119 175.412 176.600 -0.114 0.000 1.034 154 K CA -0.739 55.430 56.287 -0.196 0.000 0.884 154 K CB 0.633 32.946 32.500 -0.312 0.000 1.541 154 K HN -0.363 nan 8.250 nan 0.000 0.409 155 S N 0.193 115.883 115.700 -0.016 0.000 2.718 155 S HA 0.305 4.775 4.470 0.000 0.000 0.300 155 S C 0.724 175.446 174.600 0.203 0.000 1.117 155 S CA -0.789 57.445 58.200 0.058 0.000 1.002 155 S CB 1.232 64.450 63.200 0.030 0.000 1.092 155 S HN 0.640 nan 8.310 nan 0.000 0.542 156 I N 2.425 123.095 120.570 0.166 0.000 2.567 156 I HA -0.097 4.073 4.170 0.000 0.000 0.257 156 I C 1.759 178.002 176.117 0.211 0.000 1.184 156 I CA 1.172 62.579 61.300 0.179 0.000 1.451 156 I CB -0.330 37.684 38.000 0.023 0.000 1.089 156 I HN 0.561 nan 8.210 nan 0.000 0.441 157 V N -2.830 117.159 119.914 0.125 0.000 3.541 157 V HA 0.133 4.253 4.120 0.000 0.000 0.267 157 V C 0.988 177.129 176.094 0.078 0.000 1.213 157 V CA 0.263 62.610 62.300 0.079 0.000 1.149 157 V CB -1.831 30.004 31.823 0.020 0.000 0.822 157 V HN 0.307 nan 8.190 nan 0.000 0.462 158 T N 2.859 117.469 114.554 0.094 0.000 2.919 158 T HA 0.612 4.962 4.350 0.000 0.000 0.302 158 T C 0.549 175.233 174.700 -0.027 0.000 1.031 158 T CA 0.446 62.543 62.100 -0.004 0.000 1.127 158 T CB 1.150 69.978 68.868 -0.067 0.000 0.952 158 T HN 0.797 nan 8.240 nan 0.000 0.540 159 A N 3.386 126.160 122.820 -0.077 0.000 2.466 159 A HA 0.174 4.494 4.320 0.000 0.000 0.238 159 A C 0.582 178.136 177.584 -0.050 0.000 1.074 159 A CA -0.427 51.574 52.037 -0.060 0.000 0.774 159 A CB -0.053 18.815 19.000 -0.220 0.000 1.015 159 A HN 0.846 nan 8.150 nan 0.000 0.498 160 Q N 0.087 119.890 119.800 0.004 0.000 2.304 160 Q HA 0.065 4.405 4.340 0.000 0.000 0.315 160 Q C -0.629 175.405 176.000 0.056 0.000 1.075 160 Q CA 1.006 56.738 55.803 -0.118 0.000 0.988 160 Q CB -0.130 28.539 28.738 -0.116 0.000 1.146 160 Q HN 0.722 nan 8.270 nan 0.000 0.383 161 Y N -2.537 117.861 120.300 0.164 0.000 4.897 161 Y HA -0.351 4.199 4.550 0.000 0.000 0.263 161 Y C 0.378 176.324 175.900 0.076 0.000 0.945 161 Y CA 1.069 59.256 58.100 0.144 0.000 1.858 161 Y CB -1.861 36.640 38.460 0.069 0.000 1.296 161 Y HN 0.715 nan 8.280 nan 0.000 0.490 162 H N 0.196 119.344 119.070 0.129 0.000 2.509 162 H HA 0.628 5.184 4.556 0.000 0.000 0.359 162 H C 0.106 175.529 175.328 0.157 0.000 1.253 162 H CA 0.464 56.523 56.048 0.019 0.000 1.373 162 H CB 1.047 30.746 29.762 -0.106 0.000 1.555 162 H HN 0.086 nan 8.280 nan 0.000 0.586 163 F N -2.050 117.990 119.950 0.150 0.000 2.693 163 F HA 0.257 4.785 4.527 0.000 0.000 0.309 163 F C 0.275 176.114 175.800 0.064 0.000 1.129 163 F CA -0.911 57.165 58.000 0.127 0.000 0.948 163 F CB 1.297 40.436 39.000 0.232 0.000 1.315 163 F HN 0.306 nan 8.300 nan 0.000 0.447 164 Q N 0.129 120.091 119.800 0.270 0.000 2.259 164 Q HA 0.262 4.602 4.340 0.000 0.000 0.201 164 Q C -0.370 175.829 176.000 0.332 0.000 0.938 164 Q CA 0.696 56.617 55.803 0.196 0.000 0.872 164 Q CB 0.219 29.006 28.738 0.081 0.000 0.971 164 Q HN 0.530 nan 8.270 nan 0.000 0.494 165 N N 0.632 119.540 118.700 0.346 0.000 2.225 165 N HA 0.170 4.910 4.740 0.000 0.000 0.298 165 N C -1.321 174.180 175.510 -0.014 0.000 1.076 165 N CA -0.510 52.674 53.050 0.223 0.000 0.792 165 N CB 1.452 39.989 38.487 0.083 0.000 1.498 165 N HN 0.002 nan 8.380 nan 0.000 0.474 166 N N 1.065 119.504 118.700 -0.435 0.000 2.441 166 N HA 0.053 4.793 4.740 0.000 0.000 0.251 166 N C -1.165 174.166 175.510 -0.299 0.000 1.242 166 N CA 0.582 53.039 53.050 -0.987 0.000 0.898 166 N CB 0.100 38.113 38.487 -0.790 0.000 1.100 166 N HN 0.449 nan 8.380 nan 0.000 0.443 167 Y N -1.185 118.837 120.300 -0.463 0.000 2.581 167 Y HA 0.713 5.263 4.550 0.000 0.000 0.337 167 Y C 0.049 175.744 175.900 -0.341 0.000 1.108 167 Y CA -1.153 56.829 58.100 -0.195 0.000 1.033 167 Y CB 0.664 39.036 38.460 -0.146 0.000 1.318 167 Y HN 0.418 nan 8.280 nan 0.000 0.459 168 G N 0.793 109.524 108.800 -0.114 0.000 3.122 168 G HA2 0.600 4.560 3.960 0.000 0.000 0.180 168 G HA3 0.600 4.560 3.960 0.000 0.000 0.180 168 G C -2.039 172.688 174.900 -0.289 0.000 1.279 168 G CA -0.987 43.921 45.100 -0.320 0.000 0.987 168 G HN 0.605 nan 8.290 nan 0.000 0.589 169 Y N -1.617 118.795 120.300 0.186 0.000 2.576 169 Y HA 0.530 5.080 4.550 0.000 0.000 0.346 169 Y C -0.331 175.575 175.900 0.011 0.000 1.018 169 Y CA -0.804 57.375 58.100 0.132 0.000 1.050 169 Y CB 1.874 40.480 38.460 0.242 0.000 1.280 169 Y HN 0.479 nan 8.280 nan 0.000 0.474 170 H N 1.911 121.168 119.070 0.311 0.000 2.458 170 H HA 0.705 5.261 4.556 0.000 0.000 0.330 170 H C -1.019 174.387 175.328 0.129 0.000 1.111 170 H CA -0.911 55.255 56.048 0.197 0.000 1.245 170 H CB 1.320 31.167 29.762 0.142 0.000 1.456 170 H HN 0.488 nan 8.280 nan 0.000 0.488 171 L N -0.008 121.344 121.223 0.216 0.000 2.479 171 L HA 0.463 4.803 4.340 0.000 0.000 0.255 171 L C -0.784 176.128 176.870 0.070 0.000 1.026 171 L CA -1.164 53.708 54.840 0.054 0.000 0.842 171 L CB 1.474 43.524 42.059 -0.015 0.000 1.444 171 L HN 0.468 nan 8.230 nan 0.000 0.409 172 N N 0.764 119.475 118.700 0.018 0.000 2.420 172 N HA 0.406 5.146 4.740 0.000 0.000 0.249 172 N C 0.690 176.273 175.510 0.121 0.000 1.033 172 N CA 0.471 53.557 53.050 0.059 0.000 0.944 172 N CB 1.921 40.420 38.487 0.021 0.000 1.113 172 N HN 0.971 nan 8.380 nan 0.000 0.502 173 A N 4.187 127.103 122.820 0.160 0.000 1.933 173 A HA -0.059 4.261 4.320 0.000 0.000 0.218 173 A C 2.052 179.750 177.584 0.190 0.000 1.175 173 A CA 1.757 53.931 52.037 0.229 0.000 0.628 173 A CB -0.625 18.490 19.000 0.192 0.000 0.814 173 A HN 0.748 nan 8.150 nan 0.000 0.444 174 A N -0.095 122.800 122.820 0.125 0.000 1.898 174 A HA -0.137 4.183 4.320 0.000 0.000 0.216 174 A C 2.098 179.731 177.584 0.082 0.000 1.181 174 A CA 1.729 53.821 52.037 0.091 0.000 0.620 174 A CB -0.393 18.648 19.000 0.068 0.000 0.819 174 A HN 0.533 nan 8.150 nan 0.000 0.442 175 K N -1.542 118.908 120.400 0.083 0.000 2.097 175 K HA -0.085 4.235 4.320 0.000 0.000 0.205 175 K C 1.769 178.448 176.600 0.132 0.000 1.050 175 K CA 1.313 57.638 56.287 0.062 0.000 0.938 175 K CB -0.292 32.217 32.500 0.015 0.000 0.718 175 K HN 0.467 nan 8.250 nan 0.000 0.442 176 F N 1.783 121.732 119.950 -0.002 0.000 2.102 176 F HA -0.173 4.354 4.527 0.000 0.000 0.298 176 F C 2.533 178.349 175.800 0.027 0.000 1.105 176 F CA 1.256 59.285 58.000 0.049 0.000 1.239 176 F CB -0.871 38.206 39.000 0.129 0.000 0.991 176 F HN -0.090 nan 8.300 nan 0.000 0.474 177 S N -0.461 115.233 115.700 -0.009 0.000 2.383 177 S HA -0.272 4.198 4.470 0.000 0.000 0.229 177 S C 2.077 176.525 174.600 -0.253 0.000 1.030 177 S CA 1.584 59.701 58.200 -0.138 0.000 1.002 177 S CB -0.465 62.751 63.200 0.027 0.000 0.829 177 S HN 0.544 nan 8.310 nan 0.000 0.467 178 Q N 0.742 120.466 119.800 -0.127 0.000 2.079 178 Q HA -0.021 4.319 4.340 0.000 0.000 0.200 178 Q C 2.009 177.901 176.000 -0.180 0.000 0.974 178 Q CA 1.578 57.284 55.803 -0.161 0.000 0.840 178 Q CB -0.796 27.904 28.738 -0.063 0.000 0.898 178 Q HN 0.527 nan 8.270 nan 0.000 0.430 179 L N -0.271 120.911 121.223 -0.068 0.000 2.042 179 L HA -0.112 4.228 4.340 0.000 0.000 0.210 179 L C 1.960 178.777 176.870 -0.088 0.000 1.076 179 L CA 1.759 56.590 54.840 -0.014 0.000 0.749 179 L CB -0.716 41.424 42.059 0.135 0.000 0.893 179 L HN 0.378 nan 8.230 nan 0.000 0.432 180 L N -1.251 119.857 121.223 -0.192 0.000 2.093 180 L HA -0.186 4.154 4.340 0.000 0.000 0.208 180 L C 2.338 178.883 176.870 -0.542 0.000 1.085 180 L CA 1.567 56.257 54.840 -0.251 0.000 0.755 180 L CB -0.991 40.897 42.059 -0.286 0.000 0.904 180 L HN 0.271 nan 8.230 nan 0.000 0.435 181 T N -0.518 113.409 114.554 -1.045 0.000 2.684 181 T HA -0.217 4.133 4.350 0.000 0.000 0.267 181 T C 1.717 175.986 174.700 -0.719 0.000 1.036 181 T CA 1.627 62.770 62.100 -1.594 0.000 1.148 181 T CB -0.174 67.946 68.868 -1.247 0.000 0.863 181 T HN 0.410 nan 8.240 nan 0.000 0.436 182 E N -0.099 119.872 120.200 -0.382 0.000 2.031 182 E HA -0.180 4.170 4.350 0.000 0.000 0.193 182 E C 2.127 178.671 176.600 -0.093 0.000 0.994 182 E CA 1.339 57.636 56.400 -0.171 0.000 0.800 182 E CB -0.213 29.435 29.700 -0.087 0.000 0.752 182 E HN 0.598 nan 8.360 nan 0.000 0.447 183 H N -0.138 118.847 119.070 -0.142 0.000 2.321 183 H HA -0.099 4.457 4.556 0.000 0.000 0.300 183 H C 1.940 177.237 175.328 -0.052 0.000 1.087 183 H CA 1.897 57.906 56.048 -0.065 0.000 1.319 183 H CB -0.234 29.511 29.762 -0.027 0.000 1.379 183 H HN 0.161 nan 8.280 nan 0.000 0.501 184 C N 0.089 119.379 119.300 -0.016 0.000 2.440 184 C HA -0.101 4.359 4.460 0.000 0.000 0.278 184 C C 2.923 177.914 174.990 0.002 0.000 1.295 184 C CA 1.548 60.586 59.018 0.034 0.000 1.738 184 C CB -1.032 26.857 27.740 0.248 0.000 1.987 184 C HN 0.888 nan 8.230 nan 0.000 0.492 185 T N -1.683 112.846 114.554 -0.042 0.000 2.937 185 T HA -0.091 4.259 4.350 0.000 0.000 0.260 185 T C 1.619 176.302 174.700 -0.029 0.000 1.051 185 T CA 1.076 63.180 62.100 0.006 0.000 1.141 185 T CB -0.231 68.651 68.868 0.023 0.000 0.879 185 T HN 0.409 nan 8.240 nan 0.000 0.459 186 Q N 0.768 120.524 119.800 -0.075 0.000 2.376 186 Q HA 0.273 4.613 4.340 0.000 0.000 0.206 186 Q C 1.766 177.705 176.000 -0.102 0.000 0.921 186 Q CA 0.816 56.578 55.803 -0.068 0.000 0.911 186 Q CB 0.249 28.954 28.738 -0.055 0.000 1.032 186 Q HN 0.609 nan 8.270 nan 0.000 0.510 187 K N -0.552 119.733 120.400 -0.193 0.000 2.436 187 K HA 0.286 4.607 4.320 0.000 0.000 0.198 187 K C 1.365 177.848 176.600 -0.196 0.000 1.174 187 K CA 0.051 56.199 56.287 -0.233 0.000 0.951 187 K CB 0.983 33.231 32.500 -0.421 0.000 1.040 187 K HN -0.006 nan 8.250 nan 0.000 0.536 188 L N 0.241 121.354 121.223 -0.183 0.000 2.728 188 L HA 0.280 4.620 4.340 0.000 0.000 0.238 188 L C 0.667 177.523 176.870 -0.024 0.000 1.143 188 L CA 0.079 54.870 54.840 -0.081 0.000 0.937 188 L CB 0.632 42.666 42.059 -0.042 0.000 1.225 188 L HN 0.380 nan 8.230 nan 0.000 0.507 189 G N 0.871 109.658 108.800 -0.021 0.000 2.153 189 G HA2 -0.259 3.701 3.960 0.000 0.000 0.252 189 G HA3 -0.259 3.701 3.960 0.000 0.000 0.252 189 G C 0.262 175.176 174.900 0.023 0.000 0.994 189 G CA 0.180 45.281 45.100 0.002 0.000 0.698 189 G HN 0.145 nan 8.290 nan 0.000 0.521 190 V N 1.322 121.265 119.914 0.050 0.000 2.555 190 V HA 0.389 4.510 4.120 0.000 0.000 0.286 190 V C 1.121 177.276 176.094 0.102 0.000 1.044 190 V CA 0.481 62.827 62.300 0.076 0.000 1.026 190 V CB 1.300 33.209 31.823 0.143 0.000 0.981 190 V HN 0.329 nan 8.190 nan 0.000 0.480 191 T N 5.206 119.803 114.554 0.071 0.000 2.794 191 T HA 0.231 4.581 4.350 0.000 0.000 0.296 191 T C -0.221 174.578 174.700 0.164 0.000 0.949 191 T CA 0.029 62.186 62.100 0.095 0.000 1.101 191 T CB -0.084 68.810 68.868 0.043 0.000 0.905 191 T HN 0.776 nan 8.240 nan 0.000 0.516 192 H N 3.355 122.479 119.070 0.090 0.000 2.481 192 H HA 0.556 5.112 4.556 0.000 0.000 0.333 192 H C -0.870 174.495 175.328 0.062 0.000 1.066 192 H CA -0.963 55.162 56.048 0.129 0.000 1.209 192 H CB 0.623 30.529 29.762 0.240 0.000 1.445 192 H HN 0.478 nan 8.280 nan 0.000 0.488 193 I N 5.616 126.250 120.570 0.105 0.000 2.436 193 I HA 0.296 4.466 4.170 0.000 0.000 0.289 193 I C -0.252 175.796 176.117 -0.115 0.000 1.010 193 I CA -0.698 60.575 61.300 -0.046 0.000 1.098 193 I CB 1.816 39.809 38.000 -0.011 0.000 1.266 193 I HN 0.502 nan 8.210 nan 0.000 0.434 194 R N 4.454 124.834 120.500 -0.199 0.000 2.233 194 R HA 0.476 4.816 4.340 0.000 0.000 0.334 194 R C -1.229 174.988 176.300 -0.138 0.000 1.037 194 R CA -0.459 55.536 56.100 -0.174 0.000 0.920 194 R CB 0.770 30.949 30.300 -0.203 0.000 1.137 194 R HN 0.515 nan 8.270 nan 0.000 0.492 195 D N 0.420 120.723 120.400 -0.161 0.000 2.710 195 D HA 0.176 4.816 4.640 0.000 0.000 0.276 195 D C -1.289 174.851 176.300 -0.266 0.000 1.267 195 D CA -0.721 53.175 54.000 -0.173 0.000 0.772 195 D CB 0.936 41.705 40.800 -0.052 0.000 1.299 195 D HN 0.387 nan 8.370 nan 0.000 0.421 196 H N -0.933 118.132 119.070 -0.008 0.000 2.483 196 H HA 0.608 5.164 4.556 0.000 0.000 0.338 196 H C -0.230 175.090 175.328 -0.015 0.000 1.152 196 H CA -0.625 55.416 56.048 -0.010 0.000 1.264 196 H CB 1.384 31.140 29.762 -0.010 0.000 1.510 196 H HN -0.095 nan 8.280 nan 0.000 0.530 197 V N 2.161 122.137 119.914 0.102 0.000 2.364 197 V HA 0.075 4.195 4.120 0.000 0.000 0.272 197 V C 0.489 176.601 176.094 0.030 0.000 1.036 197 V CA 0.096 62.419 62.300 0.038 0.000 0.880 197 V CB 1.312 33.133 31.823 -0.003 0.000 0.991 197 V HN 0.905 nan 8.190 nan 0.000 0.460 198 S N 3.351 119.060 115.700 0.014 0.000 2.441 198 S HA 0.152 4.622 4.470 0.000 0.000 0.224 198 S C 0.474 175.062 174.600 -0.020 0.000 1.043 198 S CA 0.378 58.577 58.200 -0.002 0.000 0.948 198 S CB 0.174 63.374 63.200 -0.001 0.000 0.810 198 S HN 0.822 nan 8.310 nan 0.000 0.504 199 Q N -0.162 119.618 119.800 -0.034 0.000 2.389 199 Q HA 0.571 4.911 4.340 0.000 0.000 0.277 199 Q C -1.559 174.377 176.000 -0.106 0.000 1.082 199 Q CA -0.346 55.425 55.803 -0.054 0.000 0.810 199 Q CB 2.474 31.189 28.738 -0.038 0.000 1.374 199 Q HN 0.209 nan 8.270 nan 0.000 0.422 200 I N 2.624 123.094 120.570 -0.167 0.000 2.362 200 I HA 0.381 4.551 4.170 0.000 0.000 0.289 200 I C -0.726 175.260 176.117 -0.219 0.000 0.994 200 I CA -0.818 60.286 61.300 -0.326 0.000 1.158 200 I CB 1.048 38.627 38.000 -0.703 0.000 1.315 200 I HN 0.347 nan 8.210 nan 0.000 0.451 201 I N 5.428 125.889 120.570 -0.181 0.000 2.354 201 I HA 0.367 4.538 4.170 0.000 0.000 0.292 201 I C -0.085 175.992 176.117 -0.066 0.000 0.989 201 I CA -0.599 60.655 61.300 -0.077 0.000 1.188 201 I CB 1.079 39.047 38.000 -0.054 0.000 1.342 201 I HN 0.507 nan 8.210 nan 0.000 0.457 202 N N 4.657 123.362 118.700 0.008 0.000 2.489 202 N HA 0.284 5.024 4.740 0.000 0.000 0.284 202 N C -0.042 175.463 175.510 -0.008 0.000 1.158 202 N CA -0.515 52.547 53.050 0.019 0.000 0.965 202 N CB 0.991 39.513 38.487 0.058 0.000 1.195 202 N HN 0.589 nan 8.380 nan 0.000 0.506 203 N N -1.148 117.545 118.700 -0.011 0.000 2.366 203 N HA -0.038 4.702 4.740 0.000 0.000 0.277 203 N C 0.889 176.339 175.510 -0.100 0.000 1.275 203 N CA -0.285 52.732 53.050 -0.055 0.000 0.964 203 N CB -0.245 38.211 38.487 -0.052 0.000 1.167 203 N HN 0.386 nan 8.380 nan 0.000 0.568 204 Q N -1.834 117.834 119.800 -0.219 0.000 2.291 204 Q HA -0.137 4.203 4.340 0.000 0.000 0.206 204 Q C 0.783 176.670 176.000 -0.188 0.000 0.976 204 Q CA 1.926 57.583 55.803 -0.242 0.000 0.875 204 Q CB -1.659 26.887 28.738 -0.320 0.000 0.927 204 Q HN 0.876 nan 8.270 nan 0.000 0.450 205 H N -0.457 118.623 119.070 0.016 0.000 2.551 205 H HA 0.491 5.047 4.556 0.000 0.000 0.271 205 H C 1.574 176.912 175.328 0.016 0.000 0.984 205 H CA -0.009 56.048 56.048 0.016 0.000 1.164 205 H CB 0.810 30.585 29.762 0.021 0.000 1.437 205 H HN 0.565 nan 8.280 nan 0.000 0.550 206 G N 0.789 109.640 108.800 0.085 0.000 2.175 206 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 206 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 206 G C -0.343 174.599 174.900 0.071 0.000 0.982 206 G CA 0.011 45.144 45.100 0.055 0.000 0.641 206 G HN 0.301 nan 8.290 nan 0.000 0.527 207 D N 0.294 120.753 120.400 0.099 0.000 2.362 207 D HA 0.432 5.072 4.640 0.000 0.000 0.242 207 D C 1.310 177.647 176.300 0.061 0.000 1.132 207 D CA -0.134 53.930 54.000 0.106 0.000 0.907 207 D CB 0.718 41.602 40.800 0.141 0.000 1.195 207 D HN 0.343 nan 8.370 nan 0.000 0.429 208 I N 1.330 121.903 120.570 0.005 0.000 2.556 208 I HA -0.008 4.162 4.170 0.000 0.000 0.284 208 I C 1.651 177.710 176.117 -0.097 0.000 1.114 208 I CA 0.318 61.484 61.300 -0.223 0.000 1.418 208 I CB 0.822 38.382 38.000 -0.733 0.000 1.394 208 I HN 0.485 nan 8.210 nan 0.000 0.552 209 E N 6.484 126.633 120.200 -0.085 0.000 2.256 209 E HA 0.095 4.446 4.350 0.000 0.000 0.198 209 E C -0.046 176.641 176.600 0.145 0.000 0.908 209 E CA 0.204 56.650 56.400 0.075 0.000 0.915 209 E CB 0.660 30.377 29.700 0.028 0.000 0.890 209 E HN 0.689 nan 8.360 nan 0.000 0.484 210 K N -0.180 120.223 120.400 0.004 0.000 2.607 210 K HA 0.372 4.692 4.320 0.000 0.000 0.287 210 K C -1.512 175.058 176.600 -0.051 0.000 0.996 210 K CA -0.797 55.537 56.287 0.078 0.000 0.876 210 K CB 0.966 33.504 32.500 0.064 0.000 1.496 210 K HN -0.043 nan 8.250 nan 0.000 0.415 211 L N 2.225 123.463 121.223 0.025 0.000 2.329 211 L HA 0.549 4.889 4.340 0.000 0.000 0.279 211 L C -0.404 176.464 176.870 -0.004 0.000 1.014 211 L CA -1.174 53.651 54.840 -0.026 0.000 0.814 211 L CB 1.620 43.689 42.059 0.017 0.000 1.257 211 L HN 0.512 nan 8.230 nan 0.000 0.424 212 I N 2.162 122.718 120.570 -0.022 0.000 2.307 212 I HA 0.221 4.391 4.170 0.000 0.000 0.289 212 I C 0.686 176.803 176.117 0.000 0.000 1.021 212 I CA -0.346 60.949 61.300 -0.008 0.000 1.224 212 I CB 1.537 39.529 38.000 -0.012 0.000 1.376 212 I HN 0.652 nan 8.210 nan 0.000 0.470 213 T N 1.534 116.095 114.554 0.011 0.000 2.849 213 T HA 0.207 4.557 4.350 0.000 0.000 0.284 213 T C 0.943 175.660 174.700 0.028 0.000 1.004 213 T CA -0.632 61.482 62.100 0.022 0.000 1.021 213 T CB 2.083 70.963 68.868 0.020 0.000 1.013 213 T HN 0.662 nan 8.240 nan 0.000 0.527 214 K N 0.188 120.620 120.400 0.053 0.000 2.097 214 K HA -0.082 4.239 4.320 0.000 0.000 0.205 214 K C 1.848 178.470 176.600 0.036 0.000 1.050 214 K CA 1.540 57.857 56.287 0.050 0.000 0.938 214 K CB -0.005 32.550 32.500 0.092 0.000 0.718 214 K HN 0.867 nan 8.250 nan 0.000 0.442 215 Q N -2.126 117.696 119.800 0.037 0.000 2.028 215 Q HA 0.176 4.516 4.340 0.000 0.000 0.207 215 Q C -0.170 175.838 176.000 0.012 0.000 0.776 215 Q CA -0.275 55.542 55.803 0.023 0.000 1.015 215 Q CB 0.573 29.327 28.738 0.026 0.000 1.215 215 Q HN 0.068 nan 8.270 nan 0.000 0.445 216 N N 0.918 119.625 118.700 0.011 0.000 2.238 216 N HA 0.191 4.931 4.740 0.000 0.000 0.235 216 N C 0.311 175.825 175.510 0.006 0.000 1.209 216 N CA 0.831 53.883 53.050 0.005 0.000 0.879 216 N CB 1.668 40.155 38.487 -0.001 0.000 1.136 216 N HN 0.448 nan 8.380 nan 0.000 0.517 217 G N 1.745 110.550 108.800 0.008 0.000 2.601 217 G HA2 -0.273 3.687 3.960 0.000 0.000 0.252 217 G HA3 -0.273 3.687 3.960 0.000 0.000 0.252 217 G C -0.648 174.257 174.900 0.010 0.000 1.294 217 G CA -0.451 44.654 45.100 0.007 0.000 0.912 217 G HN 0.341 nan 8.290 nan 0.000 0.574 218 E N 0.052 120.258 120.200 0.010 0.000 2.227 218 E HA 0.480 4.830 4.350 0.000 0.000 0.282 218 E C -0.199 176.414 176.600 0.023 0.000 1.015 218 E CA -0.575 55.834 56.400 0.015 0.000 0.823 218 E CB 1.355 31.063 29.700 0.013 0.000 1.081 218 E HN 0.328 nan 8.360 nan 0.000 0.396 219 I N 2.629 123.222 120.570 0.038 0.000 2.382 219 I HA 0.180 4.350 4.170 0.000 0.000 0.285 219 I C -0.115 176.055 176.117 0.089 0.000 1.007 219 I CA -0.402 60.926 61.300 0.047 0.000 1.142 219 I CB 1.123 39.150 38.000 0.045 0.000 1.289 219 I HN 0.335 nan 8.210 nan 0.000 0.453 220 S N 3.982 119.721 115.700 0.066 0.000 2.578 220 S HA 0.898 5.368 4.470 0.000 0.000 0.283 220 S C 0.381 175.006 174.600 0.042 0.000 1.195 220 S CA -0.509 57.750 58.200 0.099 0.000 1.050 220 S CB 2.199 65.433 63.200 0.058 0.000 1.012 220 S HN 0.900 nan 8.310 nan 0.000 0.511 221 G N 0.364 109.209 108.800 0.076 0.000 2.600 221 G HA2 0.458 4.418 3.960 0.000 0.000 0.293 221 G HA3 0.458 4.418 3.960 0.000 0.000 0.293 221 G C -0.716 174.120 174.900 -0.108 0.000 1.408 221 G CA -0.559 44.412 45.100 -0.215 0.000 0.782 221 G HN 0.571 nan 8.290 nan 0.000 0.482 222 Q N -1.582 118.087 119.800 -0.218 0.000 2.353 222 Q HA 0.348 4.688 4.340 0.000 0.000 0.240 222 Q C -0.277 175.697 176.000 -0.044 0.000 0.868 222 Q CA 0.145 55.920 55.803 -0.046 0.000 0.944 222 Q CB 1.238 29.951 28.738 -0.042 0.000 1.104 222 Q HN 0.284 nan 8.270 nan 0.000 0.531 223 L N 0.191 121.240 121.223 -0.291 0.000 2.470 223 L HA 0.485 4.825 4.340 0.000 0.000 0.268 223 L C -1.859 174.719 176.870 -0.487 0.000 0.964 223 L CA -0.503 54.215 54.840 -0.202 0.000 0.839 223 L CB 1.478 43.428 42.059 -0.181 0.000 1.276 223 L HN -0.147 nan 8.230 nan 0.000 0.403 224 F N 5.699 125.576 119.950 -0.121 0.000 2.482 224 F HA 0.607 5.134 4.527 0.000 0.000 0.331 224 F C -0.192 175.502 175.800 -0.176 0.000 1.115 224 F CA -0.724 57.199 58.000 -0.128 0.000 0.955 224 F CB 1.715 40.660 39.000 -0.091 0.000 1.136 224 F HN 0.128 nan 8.300 nan 0.000 0.452 225 I N 2.655 123.189 120.570 -0.060 0.000 2.339 225 I HA 0.172 4.342 4.170 0.000 0.000 0.290 225 I C -0.326 175.754 176.117 -0.061 0.000 0.994 225 I CA -0.723 60.506 61.300 -0.119 0.000 1.191 225 I CB 1.162 39.054 38.000 -0.179 0.000 1.343 225 I HN 0.475 nan 8.210 nan 0.000 0.458 226 D N 6.062 126.434 120.400 -0.046 0.000 2.393 226 D HA 0.174 4.814 4.640 0.000 0.000 0.232 226 D C -0.134 176.150 176.300 -0.027 0.000 1.192 226 D CA -0.099 53.889 54.000 -0.021 0.000 0.882 226 D CB 0.654 41.456 40.800 0.003 0.000 1.038 226 D HN 0.497 nan 8.370 nan 0.000 0.499 227 C N 3.087 122.360 119.300 -0.045 0.000 2.638 227 C HA 0.121 4.581 4.460 0.000 0.000 0.282 227 C C 1.855 176.826 174.990 -0.032 0.000 1.473 227 C CA -0.225 58.766 59.018 -0.045 0.000 1.781 227 C CB -1.291 26.390 27.740 -0.100 0.000 2.780 227 C HN 0.718 nan 8.230 nan 0.000 0.531 228 T N -1.818 112.727 114.554 -0.015 0.000 3.194 228 T HA 0.417 4.767 4.350 0.000 0.000 0.251 228 T C 1.153 175.850 174.700 -0.005 0.000 1.132 228 T CA 0.887 62.981 62.100 -0.011 0.000 1.028 228 T CB 0.031 68.895 68.868 -0.007 0.000 0.976 228 T HN 0.997 nan 8.240 nan 0.000 0.535 229 G N 0.860 109.661 108.800 0.003 0.000 2.642 229 G HA2 0.019 3.979 3.960 0.000 0.000 0.231 229 G HA3 0.019 3.979 3.960 0.000 0.000 0.231 229 G C 0.955 175.856 174.900 0.001 0.000 1.338 229 G CA -0.171 44.926 45.100 -0.004 0.000 0.883 229 G HN 0.995 nan 8.290 nan 0.000 0.570 230 A N -0.522 122.280 122.820 -0.029 0.000 2.024 230 A HA 0.044 4.364 4.320 0.000 0.000 0.220 230 A C 2.568 180.126 177.584 -0.043 0.000 1.164 230 A CA 3.676 55.695 52.037 -0.030 0.000 0.643 230 A CB -0.769 18.190 19.000 -0.069 0.000 0.806 230 A HN 2.211 nan 8.150 nan 0.000 0.451 231 K N -1.427 118.952 120.400 -0.035 0.000 2.280 231 K HA 0.000 4.320 4.320 0.000 0.000 0.202 231 K C 0.888 177.480 176.600 -0.015 0.000 1.047 231 K CA 1.122 57.389 56.287 -0.032 0.000 0.942 231 K CB -1.670 30.818 32.500 -0.020 0.000 0.739 231 K HN 1.163 nan 8.250 nan 0.000 0.457 232 S N -0.002 115.701 115.700 0.005 0.000 3.524 232 S HA -0.165 4.305 4.470 0.000 0.000 0.377 232 S C 0.618 175.233 174.600 0.025 0.000 0.949 232 S CA 0.621 58.837 58.200 0.027 0.000 1.264 232 S CB -2.060 61.169 63.200 0.047 0.000 0.918 232 S HN 0.585 nan 8.310 nan 0.000 0.517 233 L N -0.103 121.129 121.223 0.015 0.000 2.141 233 L HA -0.141 4.199 4.340 0.000 0.000 0.209 233 L C 2.099 178.987 176.870 0.029 0.000 1.094 233 L CA 1.111 55.960 54.840 0.015 0.000 0.763 233 L CB -0.300 41.759 42.059 -0.001 0.000 0.908 233 L HN 0.466 nan 8.230 nan 0.000 0.437 234 L N -1.496 119.741 121.223 0.023 0.000 2.262 234 L HA -0.024 4.317 4.340 0.000 0.000 0.197 234 L C 2.069 178.990 176.870 0.085 0.000 1.073 234 L CA 1.092 55.951 54.840 0.032 0.000 0.800 234 L CB -0.581 41.470 42.059 -0.014 0.000 0.987 234 L HN 0.025 nan 8.230 nan 0.000 0.470 235 L N -0.881 120.380 121.223 0.064 0.000 2.049 235 L HA 0.090 4.430 4.340 0.000 0.000 0.203 235 L C 2.208 179.123 176.870 0.075 0.000 1.074 235 L CA 1.909 56.794 54.840 0.074 0.000 0.749 235 L CB -0.965 41.134 42.059 0.067 0.000 0.907 235 L HN 0.228 nan 8.230 nan 0.000 0.439 236 G N -1.368 107.475 108.800 0.072 0.000 2.394 236 G HA2 -0.146 3.814 3.960 0.000 0.000 0.214 236 G HA3 -0.146 3.814 3.960 0.000 0.000 0.214 236 G C 1.401 176.329 174.900 0.046 0.000 1.176 236 G CA 0.475 45.614 45.100 0.066 0.000 0.786 236 G HN 0.336 nan 8.290 nan 0.000 0.533 237 E N 0.128 120.356 120.200 0.046 0.000 2.024 237 E HA -0.016 4.334 4.350 0.000 0.000 0.190 237 E C 2.168 178.803 176.600 0.058 0.000 0.974 237 E CA 0.926 57.350 56.400 0.041 0.000 0.810 237 E CB -0.711 29.011 29.700 0.037 0.000 0.775 237 E HN 0.500 nan 8.360 nan 0.000 0.453 238 H N 0.610 119.669 119.070 -0.018 0.000 2.353 238 H HA 0.023 4.579 4.556 0.000 0.000 0.300 238 H C 1.854 177.171 175.328 -0.018 0.000 1.090 238 H CA 1.501 57.532 56.048 -0.028 0.000 1.327 238 H CB -0.081 29.650 29.762 -0.051 0.000 1.383 238 H HN -0.020 nan 8.280 nan 0.000 0.508 239 L N -0.167 121.061 121.223 0.009 0.000 2.607 239 L HA 0.063 4.403 4.340 0.000 0.000 0.228 239 L C 0.387 177.247 176.870 -0.017 0.000 1.123 239 L CA 0.147 54.968 54.840 -0.032 0.000 0.890 239 L CB 0.237 42.327 42.059 0.052 0.000 1.103 239 L HN 0.256 nan 8.230 nan 0.000 0.468 240 Q N -0.090 119.707 119.800 -0.005 0.000 2.475 240 Q HA -0.165 4.175 4.340 0.000 0.000 0.280 240 Q C -0.242 175.773 176.000 0.025 0.000 1.234 240 Q CA 0.419 56.224 55.803 0.003 0.000 0.873 240 Q CB -2.163 26.563 28.738 -0.020 0.000 1.256 240 Q HN 0.234 nan 8.270 nan 0.000 0.475 241 V N 2.100 122.041 119.914 0.046 0.000 2.479 241 V HA 0.134 4.254 4.120 0.000 0.000 0.281 241 V C -1.509 174.628 176.094 0.072 0.000 1.031 241 V CA -0.714 61.622 62.300 0.059 0.000 1.038 241 V CB 0.638 32.506 31.823 0.075 0.000 0.981 241 V HN 0.101 nan 8.190 nan 0.000 0.478 242 P HA 0.153 nan 4.420 nan 0.000 0.272 242 P C -0.808 176.544 177.300 0.087 0.000 1.223 242 P CA -0.229 62.908 63.100 0.063 0.000 0.784 242 P CB 0.398 32.111 31.700 0.022 0.000 0.923 243 F N 2.502 122.415 119.950 -0.062 0.000 2.408 243 F HA 0.394 4.921 4.527 0.000 0.000 0.344 243 F C -0.436 175.266 175.800 -0.164 0.000 1.112 243 F CA -0.633 57.304 58.000 -0.104 0.000 1.096 243 F CB 0.620 39.581 39.000 -0.065 0.000 1.129 243 F HN 0.048 nan 8.300 nan 0.000 0.486 244 L N 6.041 126.720 121.223 -0.906 0.000 2.297 244 L HA 0.273 4.613 4.340 0.000 0.000 0.277 244 L C 0.330 176.668 176.870 -0.886 0.000 1.040 244 L CA -0.596 53.770 54.840 -0.791 0.000 0.867 244 L CB 0.729 42.231 42.059 -0.928 0.000 1.244 244 L HN 0.599 nan 8.230 nan 0.000 0.433 245 S N 1.946 117.403 115.700 -0.405 0.000 2.549 245 S HA 0.074 4.544 4.470 0.000 0.000 0.286 245 S C 0.774 175.298 174.600 -0.127 0.000 1.314 245 S CA -0.202 57.910 58.200 -0.146 0.000 1.062 245 S CB 0.604 63.851 63.200 0.079 0.000 0.865 245 S HN 0.557 nan 8.310 nan 0.000 0.498 246 Q N 3.289 123.067 119.800 -0.036 0.000 2.155 246 Q HA 0.189 4.529 4.340 0.000 0.000 0.220 246 Q C 1.163 177.216 176.000 0.088 0.000 0.819 246 Q CA -0.124 55.701 55.803 0.036 0.000 1.032 246 Q CB 0.277 29.075 28.738 0.099 0.000 1.151 246 Q HN 0.740 nan 8.270 nan 0.000 0.487 247 K N 1.134 121.598 120.400 0.107 0.000 2.211 247 K HA -0.087 4.233 4.320 0.000 0.000 0.203 247 K C 1.794 178.507 176.600 0.188 0.000 1.050 247 K CA 1.373 57.748 56.287 0.146 0.000 0.945 247 K CB 0.306 32.891 32.500 0.142 0.000 0.732 247 K HN 0.174 nan 8.250 nan 0.000 0.451 248 S N -0.642 115.143 115.700 0.142 0.000 2.515 248 S HA -0.039 4.431 4.470 0.000 0.000 0.231 248 S C 1.691 176.396 174.600 0.175 0.000 0.987 248 S CA 0.685 58.990 58.200 0.176 0.000 0.936 248 S CB 0.135 63.394 63.200 0.099 0.000 0.766 248 S HN 0.059 nan 8.310 nan 0.000 0.528 249 V N 0.938 120.886 119.914 0.058 0.000 2.521 249 V HA 0.232 4.352 4.120 0.000 0.000 0.239 249 V C 2.240 178.127 176.094 -0.345 0.000 1.053 249 V CA 0.950 63.206 62.300 -0.074 0.000 1.073 249 V CB -0.436 31.392 31.823 0.008 0.000 0.746 249 V HN 0.426 nan 8.190 nan 0.000 0.476 250 L N -1.644 119.460 121.223 -0.197 0.000 2.463 250 L HA 0.188 4.528 4.340 0.000 0.000 0.219 250 L C 1.552 178.264 176.870 -0.262 0.000 1.088 250 L CA 0.431 55.123 54.840 -0.245 0.000 0.849 250 L CB 0.067 42.135 42.059 0.015 0.000 1.012 250 L HN 0.266 nan 8.230 nan 0.000 0.468 251 F N -1.823 118.091 119.950 -0.061 0.000 2.568 251 F HA -0.309 4.218 4.527 -0.000 0.000 0.650 251 F C 0.854 176.692 175.800 0.063 0.000 0.492 251 F CA 0.513 58.488 58.000 -0.041 0.000 0.801 251 F CB -1.815 37.069 39.000 -0.193 0.000 1.661 251 F HN 0.186 nan 8.300 nan 0.000 0.261 252 N N 3.015 121.879 118.700 0.273 0.000 2.483 252 N HA 0.266 5.006 4.740 0.000 0.000 0.264 252 N C 0.558 176.131 175.510 0.105 0.000 1.197 252 N CA 1.145 54.306 53.050 0.184 0.000 0.927 252 N CB 0.628 39.243 38.487 0.214 0.000 1.065 252 N HN 0.566 nan 8.380 nan 0.000 0.461 253 D N 0.060 120.458 120.400 -0.003 0.000 2.602 253 D HA 0.120 4.760 4.640 0.000 0.000 0.265 253 D C -0.157 176.061 176.300 -0.138 0.000 1.454 253 D CA -0.194 53.800 54.000 -0.011 0.000 0.795 253 D CB 0.622 41.437 40.800 0.025 0.000 1.140 253 D HN 0.149 nan 8.370 nan 0.000 0.486 254 R N 0.327 120.622 120.500 -0.342 0.000 2.771 254 R HA 0.890 5.230 4.340 0.000 0.000 0.274 254 R C -1.233 174.770 176.300 -0.494 0.000 0.987 254 R CA -0.810 54.952 56.100 -0.564 0.000 0.908 254 R CB 2.219 31.746 30.300 -1.289 0.000 1.213 254 R HN 0.109 nan 8.270 nan 0.000 0.468 255 A N 1.608 124.282 122.820 -0.244 0.000 2.455 255 A HA 0.642 4.963 4.320 0.000 0.000 0.300 255 A C -1.730 175.881 177.584 0.046 0.000 1.040 255 A CA -0.574 51.437 52.037 -0.044 0.000 0.697 255 A CB 1.697 20.813 19.000 0.192 0.000 1.265 255 A HN 0.445 nan 8.150 nan 0.000 0.407 256 L N 2.181 123.451 121.223 0.079 0.000 2.342 256 L HA 0.834 5.174 4.340 0.000 0.000 0.276 256 L C -0.053 176.785 176.870 -0.054 0.000 0.997 256 L CA 0.032 54.915 54.840 0.072 0.000 0.838 256 L CB 1.194 43.331 42.059 0.130 0.000 1.224 256 L HN 1.099 nan 8.230 nan 0.000 0.416 257 A N 5.738 128.557 122.820 -0.002 0.000 2.374 257 A HA 0.912 5.232 4.320 0.000 0.000 0.317 257 A C -1.206 176.396 177.584 0.030 0.000 1.094 257 A CA -0.563 51.457 52.037 -0.028 0.000 0.765 257 A CB 1.340 20.457 19.000 0.195 0.000 1.268 257 A HN 0.790 nan 8.150 nan 0.000 0.438 258 I N 0.271 120.848 120.570 0.012 0.000 2.828 258 I HA 0.291 4.462 4.170 0.000 0.000 0.295 258 I C -0.989 175.150 176.117 0.037 0.000 1.459 258 I CA -0.580 60.745 61.300 0.041 0.000 1.015 258 I CB 2.278 40.309 38.000 0.053 0.000 1.345 258 I HN 0.960 nan 8.210 nan 0.000 0.449 259 Q N 5.421 125.243 119.800 0.036 0.000 2.230 259 Q HA 0.697 5.037 4.340 0.000 0.000 0.248 259 Q C -1.661 174.324 176.000 -0.025 0.000 0.915 259 Q CA -0.765 55.044 55.803 0.011 0.000 0.900 259 Q CB 2.285 31.031 28.738 0.013 0.000 1.229 259 Q HN 0.387 nan 8.270 nan 0.000 0.439 260 V N 2.847 122.721 119.914 -0.067 0.000 2.447 260 V HA 0.399 4.519 4.120 0.000 0.000 0.292 260 V C -2.236 173.752 176.094 -0.176 0.000 1.021 260 V CA -1.857 60.385 62.300 -0.096 0.000 0.850 260 V CB 1.557 33.332 31.823 -0.081 0.000 1.005 260 V HN 0.830 nan 8.190 nan 0.000 0.426 261 P HA 0.200 nan 4.420 nan 0.000 0.272 261 P C -0.876 176.329 177.300 -0.158 0.000 1.223 261 P CA -0.171 62.844 63.100 -0.143 0.000 0.784 261 P CB 0.647 32.317 31.700 -0.050 0.000 0.923 262 Y N 0.117 120.413 120.300 -0.008 0.000 2.426 262 Y HA -0.020 4.530 4.550 0.000 0.000 0.344 262 Y C 2.362 178.253 175.900 -0.015 0.000 1.256 262 Y CA 0.496 58.589 58.100 -0.012 0.000 1.451 262 Y CB 0.006 38.461 38.460 -0.009 0.000 1.342 262 Y HN 0.418 nan 8.280 nan 0.000 0.600 263 S N -0.816 114.987 115.700 0.172 0.000 2.383 263 S HA -0.041 4.429 4.470 0.000 0.000 0.227 263 S C 0.040 174.679 174.600 0.065 0.000 1.026 263 S CA 1.021 59.268 58.200 0.078 0.000 0.981 263 S CB -0.019 63.211 63.200 0.050 0.000 0.818 263 S HN 0.651 nan 8.310 nan 0.000 0.472 264 D N -0.247 120.196 120.400 0.072 0.000 2.490 264 D HA 0.624 5.264 4.640 0.000 0.000 0.232 264 D C 0.673 176.992 176.300 0.032 0.000 1.053 264 D CA -0.035 53.984 54.000 0.032 0.000 0.914 264 D CB 1.957 42.756 40.800 -0.001 0.000 1.431 264 D HN 0.198 nan 8.370 nan 0.000 0.483 265 A N 0.879 123.709 122.820 0.016 0.000 2.070 265 A HA -0.120 4.200 4.320 0.000 0.000 0.220 265 A C 1.341 178.906 177.584 -0.032 0.000 1.159 265 A CA 1.971 54.015 52.037 0.012 0.000 0.656 265 A CB -0.819 18.185 19.000 0.006 0.000 0.800 265 A HN 0.685 nan 8.150 nan 0.000 0.453 266 N N -0.339 118.324 118.700 -0.061 0.000 2.351 266 N HA 0.440 5.180 4.740 0.000 0.000 0.254 266 N C 0.176 175.594 175.510 -0.153 0.000 1.241 266 N CA 0.366 53.357 53.050 -0.098 0.000 0.883 266 N CB 0.045 38.496 38.487 -0.060 0.000 1.202 266 N HN 0.247 nan 8.380 nan 0.000 0.512 267 S N 2.331 117.901 115.700 -0.218 0.000 2.558 267 S HA 0.226 4.696 4.470 0.000 0.000 0.287 267 S C -2.221 172.158 174.600 -0.368 0.000 1.321 267 S CA -0.375 57.664 58.200 -0.267 0.000 1.048 267 S CB 0.797 63.827 63.200 -0.283 0.000 0.844 267 S HN 0.479 nan 8.310 nan 0.000 0.512 268 P HA 0.218 nan 4.420 nan 0.000 0.268 268 P C -0.710 176.457 177.300 -0.221 0.000 1.205 268 P CA -0.038 62.960 63.100 -0.171 0.000 0.771 268 P CB 0.266 31.922 31.700 -0.074 0.000 0.858 269 I N 1.557 122.044 120.570 -0.139 0.000 2.336 269 I HA 0.393 4.563 4.170 0.000 0.000 0.292 269 I C 0.745 176.885 176.117 0.038 0.000 0.991 269 I CA -0.910 60.367 61.300 -0.039 0.000 1.227 269 I CB 1.330 39.337 38.000 0.013 0.000 1.366 269 I HN 0.321 nan 8.210 nan 0.000 0.466 270 A N 4.257 127.108 122.820 0.052 0.000 2.445 270 A HA 0.223 4.543 4.320 0.000 0.000 0.242 270 A C 1.072 178.729 177.584 0.122 0.000 1.075 270 A CA -0.125 51.939 52.037 0.045 0.000 0.777 270 A CB 0.326 19.249 19.000 -0.128 0.000 1.013 270 A HN 0.804 nan 8.150 nan 0.000 0.493 271 S N -0.273 115.502 115.700 0.125 0.000 2.496 271 S HA 0.039 4.509 4.470 0.000 0.000 0.224 271 S C 0.333 175.008 174.600 0.124 0.000 0.996 271 S CA 0.409 58.682 58.200 0.122 0.000 0.927 271 S CB -0.377 62.863 63.200 0.066 0.000 0.774 271 S HN 0.745 nan 8.310 nan 0.000 0.524 272 C N 0.809 120.208 119.300 0.164 0.000 2.971 272 C HA 0.538 4.998 4.460 0.000 0.000 0.310 272 C C 0.546 175.709 174.990 0.290 0.000 1.285 272 C CA -1.059 58.041 59.018 0.135 0.000 1.593 272 C CB 1.458 29.202 27.740 0.006 0.000 2.076 272 C HN 0.178 nan 8.230 nan 0.000 0.472 273 T N 1.479 116.206 114.554 0.289 0.000 2.916 273 T HA 0.137 4.487 4.350 0.000 0.000 0.303 273 T C -0.233 174.601 174.700 0.223 0.000 1.025 273 T CA 0.604 62.850 62.100 0.244 0.000 1.142 273 T CB -0.156 68.855 68.868 0.237 0.000 0.947 273 T HN 0.599 nan 8.240 nan 0.000 0.544 274 H N 0.838 119.934 119.070 0.043 0.000 2.463 274 H HA 0.505 5.061 4.556 0.000 0.000 0.332 274 H C -0.113 175.297 175.328 0.138 0.000 1.127 274 H CA -0.765 55.296 56.048 0.022 0.000 1.238 274 H CB 1.370 31.198 29.762 0.111 0.000 1.478 274 H HN 0.513 nan 8.280 nan 0.000 0.499 275 S N 2.556 118.351 115.700 0.159 0.000 2.756 275 S HA 0.232 4.702 4.470 0.000 0.000 0.303 275 S C -0.899 174.057 174.600 0.593 0.000 1.135 275 S CA -0.653 57.812 58.200 0.442 0.000 1.066 275 S CB 0.640 63.868 63.200 0.048 0.000 1.008 275 S HN 0.623 nan 8.310 nan 0.000 0.482 276 T N 4.342 119.236 114.554 0.567 0.000 2.772 276 T HA 0.632 4.982 4.350 0.000 0.000 0.288 276 T C 0.286 175.159 174.700 0.289 0.000 0.994 276 T CA -0.379 61.963 62.100 0.403 0.000 0.951 276 T CB 1.253 70.327 68.868 0.342 0.000 0.933 276 T HN 0.870 nan 8.240 nan 0.000 0.447 277 A N 4.137 126.970 122.820 0.022 0.000 2.462 277 A HA 0.510 4.830 4.320 0.000 0.000 0.243 277 A C 0.278 177.860 177.584 -0.002 0.000 1.076 277 A CA -0.233 51.671 52.037 -0.222 0.000 0.773 277 A CB 0.308 18.804 19.000 -0.840 0.000 1.010 277 A HN 0.668 nan 8.150 nan 0.000 0.493 278 Q N 0.972 120.868 119.800 0.160 0.000 2.633 278 Q HA 0.358 4.698 4.340 0.000 0.000 0.292 278 Q C -2.152 174.038 176.000 0.317 0.000 1.089 278 Q CA -1.893 53.975 55.803 0.108 0.000 0.811 278 Q CB 0.216 28.886 28.738 -0.113 0.000 1.472 278 Q HN 0.358 nan 8.270 nan 0.000 0.464 279 P HA -0.073 nan 4.420 nan 0.000 0.218 279 P C 0.258 177.693 177.300 0.224 0.000 1.148 279 P CA 1.426 64.712 63.100 0.309 0.000 0.822 279 P CB 0.396 32.194 31.700 0.165 0.000 0.784 280 N N -1.639 117.038 118.700 -0.039 0.000 2.377 280 N HA 0.280 5.020 4.740 0.000 0.000 0.259 280 N C 0.617 175.543 175.510 -0.974 0.000 1.332 280 N CA 0.431 53.075 53.050 -0.676 0.000 0.877 280 N CB 1.849 40.203 38.487 -0.222 0.000 1.299 280 N HN 0.128 nan 8.380 nan 0.000 0.501 281 G N 0.485 109.011 108.800 -0.456 0.000 2.513 281 G HA2 0.170 4.130 3.960 0.000 0.000 0.182 281 G HA3 0.170 4.130 3.960 0.000 0.000 0.182 281 G C -2.224 172.996 174.900 0.534 0.000 1.190 281 G CA -0.579 44.559 45.100 0.064 0.000 0.987 281 G HN 0.105 nan 8.290 nan 0.000 0.479 282 W N -0.524 121.034 121.300 0.431 0.000 3.213 282 W HA 0.752 5.412 4.660 0.000 0.000 0.318 282 W C -1.933 174.798 176.519 0.353 0.000 1.248 282 W CA -1.448 56.091 57.345 0.322 0.000 1.187 282 W CB 0.560 30.245 29.460 0.376 0.000 1.403 282 W HN 0.567 nan 8.180 nan 0.000 0.556 283 I N 2.902 123.627 120.570 0.257 0.000 2.362 283 I HA 0.240 4.410 4.170 0.000 0.000 0.289 283 I C -0.302 175.908 176.117 0.155 0.000 0.994 283 I CA -0.604 60.612 61.300 -0.141 0.000 1.158 283 I CB 0.971 38.576 38.000 -0.659 0.000 1.315 283 I HN 0.476 nan 8.210 nan 0.000 0.451 284 W N 7.045 128.355 121.300 0.016 0.000 2.303 284 W HA 0.615 5.275 4.660 0.000 0.000 0.334 284 W C -0.850 175.725 176.519 0.092 0.000 1.197 284 W CA -0.675 56.811 57.345 0.235 0.000 1.262 284 W CB 0.436 30.040 29.460 0.239 0.000 1.153 284 W HN 0.343 nan 8.180 nan 0.000 0.596 285 D N 3.303 123.988 120.400 0.474 0.000 2.478 285 D HA 0.287 4.927 4.640 0.000 0.000 0.240 285 D C -1.647 174.759 176.300 0.177 0.000 1.364 285 D CA -0.402 53.762 54.000 0.274 0.000 0.987 285 D CB 0.932 41.888 40.800 0.260 0.000 1.328 285 D HN 0.572 nan 8.370 nan 0.000 0.584 286 I N 2.388 123.038 120.570 0.134 0.000 2.355 286 I HA 0.422 4.592 4.170 0.000 0.000 0.288 286 I C 0.846 176.835 176.117 -0.213 0.000 0.999 286 I CA -0.811 60.371 61.300 -0.197 0.000 1.163 286 I CB 2.115 40.066 38.000 -0.082 0.000 1.316 286 I HN 0.384 nan 8.210 nan 0.000 0.454 287 G N 7.707 116.319 108.800 -0.312 0.000 2.350 287 G HA2 0.596 4.556 3.960 0.000 0.000 0.306 287 G HA3 0.596 4.556 3.960 0.000 0.000 0.306 287 G C -0.425 174.516 174.900 0.068 0.000 1.094 287 G CA -0.341 44.746 45.100 -0.022 0.000 0.953 287 G HN 0.412 nan 8.290 nan 0.000 0.420 288 L N 3.310 124.591 121.223 0.098 0.000 2.365 288 L HA 0.366 4.706 4.340 0.000 0.000 0.267 288 L C -1.369 175.629 176.870 0.214 0.000 1.033 288 L CA -2.285 52.628 54.840 0.122 0.000 0.802 288 L CB 2.168 44.263 42.059 0.060 0.000 1.267 288 L HN 0.257 nan 8.230 nan 0.000 0.457 289 P HA -0.125 nan 4.420 nan 0.000 0.217 289 P C 1.290 178.731 177.300 0.236 0.000 1.150 289 P CA 1.324 64.507 63.100 0.139 0.000 0.832 289 P CB 0.064 31.787 31.700 0.037 0.000 0.787 290 T N -3.896 110.761 114.554 0.171 0.000 3.054 290 T HA 0.149 4.499 4.350 0.000 0.000 0.259 290 T C 0.770 175.537 174.700 0.111 0.000 1.092 290 T CA -0.069 62.114 62.100 0.139 0.000 1.121 290 T CB -0.223 68.676 68.868 0.051 0.000 0.912 290 T HN 0.235 nan 8.240 nan 0.000 0.489 291 R N -1.014 119.467 120.500 -0.031 0.000 2.832 291 R HA 0.546 4.886 4.340 0.000 0.000 0.283 291 R C -2.116 173.900 176.300 -0.474 0.000 0.998 291 R CA -1.260 54.595 56.100 -0.408 0.000 0.843 291 R CB 0.761 30.950 30.300 -0.184 0.000 1.332 291 R HN -0.035 nan 8.270 nan 0.000 0.490 292 K N -0.160 119.951 120.400 -0.483 0.000 2.208 292 K HA 0.552 4.872 4.320 0.000 0.000 0.247 292 K C -0.500 176.055 176.600 -0.075 0.000 0.953 292 K CA -0.748 55.394 56.287 -0.242 0.000 0.837 292 K CB 2.212 34.573 32.500 -0.232 0.000 1.131 292 K HN 0.699 nan 8.250 nan 0.000 0.431 293 G N 0.818 109.642 108.800 0.041 0.000 2.372 293 G HA2 0.534 4.494 3.960 0.000 0.000 0.323 293 G HA3 0.534 4.494 3.960 0.000 0.000 0.323 293 G C -1.083 173.950 174.900 0.221 0.000 1.152 293 G CA -0.381 44.824 45.100 0.175 0.000 0.906 293 G HN 0.291 nan 8.290 nan 0.000 0.460 294 V N 1.026 120.943 119.914 0.006 0.000 2.789 294 V HA 0.946 5.066 4.120 0.000 0.000 0.311 294 V C 0.416 175.954 176.094 -0.926 0.000 1.073 294 V CA -0.317 61.751 62.300 -0.386 0.000 0.921 294 V CB 2.014 33.746 31.823 -0.152 0.000 1.009 294 V HN 1.138 nan 8.190 nan 0.000 0.426 295 G N 1.804 109.445 108.800 -1.930 0.000 2.733 295 G HA2 0.518 4.478 3.960 0.000 0.000 0.297 295 G HA3 0.518 4.478 3.960 0.000 0.000 0.297 295 G C -2.320 171.891 174.900 -1.149 0.000 1.422 295 G CA -0.478 43.485 45.100 -1.895 0.000 0.942 295 G HN 0.454 nan 8.290 nan 0.000 0.510 296 Y N 2.649 122.546 120.300 -0.671 0.000 2.353 296 Y HA 0.575 5.125 4.550 0.000 0.000 0.340 296 Y C -0.314 175.487 175.900 -0.165 0.000 0.972 296 Y CA -1.523 56.351 58.100 -0.376 0.000 1.157 296 Y CB 1.369 39.698 38.460 -0.217 0.000 1.157 296 Y HN 0.305 nan 8.280 nan 0.000 0.495 297 V N 9.406 129.193 119.914 -0.212 0.000 2.432 297 V HA 0.311 4.431 4.120 0.000 0.000 0.275 297 V C -0.745 175.165 176.094 -0.307 0.000 1.043 297 V CA -0.239 61.885 62.300 -0.294 0.000 0.925 297 V CB -0.063 31.455 31.823 -0.507 0.000 0.985 297 V HN 0.701 nan 8.190 nan 0.000 0.466 298 Y N 1.946 121.987 120.300 -0.433 0.000 2.670 298 Y HA 0.726 5.276 4.550 0.000 0.000 0.334 298 Y C -0.445 175.357 175.900 -0.163 0.000 1.185 298 Y CA -1.320 56.489 58.100 -0.484 0.000 1.053 298 Y CB 1.686 39.537 38.460 -1.016 0.000 1.298 298 Y HN 0.357 nan 8.280 nan 0.000 0.459 299 S N 0.738 116.493 115.700 0.090 0.000 2.422 299 S HA 0.310 4.780 4.470 0.000 0.000 0.308 299 S C 0.713 175.444 174.600 0.219 0.000 1.097 299 S CA -0.045 58.278 58.200 0.204 0.000 1.099 299 S CB 0.452 63.950 63.200 0.496 0.000 0.976 299 S HN 1.019 nan 8.310 nan 0.000 0.471 300 S N 3.447 119.203 115.700 0.094 0.000 2.474 300 S HA -0.098 4.372 4.470 0.000 0.000 0.235 300 S C 1.646 176.279 174.600 0.055 0.000 0.997 300 S CA 0.988 59.249 58.200 0.101 0.000 0.949 300 S CB -0.536 62.684 63.200 0.032 0.000 0.766 300 S HN 0.895 nan 8.310 nan 0.000 0.517 301 S N 0.093 115.805 115.700 0.020 0.000 2.603 301 S HA 0.148 4.618 4.470 0.000 0.000 0.220 301 S C 0.987 175.407 174.600 -0.300 0.000 0.967 301 S CA 0.109 58.225 58.200 -0.140 0.000 0.920 301 S CB -0.490 62.576 63.200 -0.225 0.000 0.773 301 S HN 0.722 nan 8.310 nan 0.000 0.529 302 H N 0.058 119.138 119.070 0.016 0.000 2.788 302 H HA 0.398 4.954 4.556 0.000 0.000 0.262 302 H C 0.473 175.817 175.328 0.027 0.000 0.968 302 H CA 0.773 56.841 56.048 0.033 0.000 1.218 302 H CB 1.033 30.859 29.762 0.107 0.000 1.443 302 H HN 0.401 nan 8.280 nan 0.000 0.478 303 T N 0.543 115.179 114.554 0.137 0.000 2.923 303 T HA 0.290 4.640 4.350 0.000 0.000 0.311 303 T C -1.043 173.688 174.700 0.051 0.000 1.183 303 T CA -1.063 61.072 62.100 0.057 0.000 1.020 303 T CB 0.898 69.759 68.868 -0.012 0.000 1.165 303 T HN 0.390 nan 8.240 nan 0.000 0.482 304 N N 2.559 121.263 118.700 0.007 0.000 2.347 304 N HA 0.227 4.967 4.740 0.000 0.000 0.253 304 N C 0.503 175.997 175.510 -0.028 0.000 1.274 304 N CA -0.154 52.903 53.050 0.011 0.000 0.941 304 N CB 0.259 38.744 38.487 -0.002 0.000 1.200 304 N HN 0.516 nan 8.380 nan 0.000 0.514 305 D N -0.291 120.111 120.400 0.004 0.000 2.194 305 D HA 0.020 4.660 4.640 0.000 0.000 0.204 305 D C 1.773 178.011 176.300 -0.103 0.000 0.964 305 D CA 0.656 54.643 54.000 -0.020 0.000 0.846 305 D CB -0.005 40.828 40.800 0.055 0.000 0.962 305 D HN 0.511 nan 8.370 nan 0.000 0.490 306 I N 1.521 122.046 120.570 -0.075 0.000 2.127 306 I HA -0.269 3.901 4.170 0.000 0.000 0.241 306 I C 1.876 177.918 176.117 -0.125 0.000 1.075 306 I CA 1.247 62.494 61.300 -0.088 0.000 1.334 306 I CB -0.096 37.874 38.000 -0.049 0.000 1.040 306 I HN -0.156 nan 8.210 nan 0.000 0.405 307 D N 0.843 121.176 120.400 -0.112 0.000 2.144 307 D HA -0.097 4.543 4.640 0.000 0.000 0.200 307 D C 2.254 178.457 176.300 -0.161 0.000 0.978 307 D CA 1.426 55.361 54.000 -0.109 0.000 0.833 307 D CB -0.247 40.511 40.800 -0.070 0.000 0.961 307 D HN 0.340 nan 8.370 nan 0.000 0.470 308 A N 0.813 123.472 122.820 -0.269 0.000 1.902 308 A HA -0.256 4.065 4.320 0.000 0.000 0.217 308 A C 2.135 179.572 177.584 -0.245 0.000 1.181 308 A CA 1.831 53.644 52.037 -0.373 0.000 0.623 308 A CB -0.731 17.528 19.000 -1.235 0.000 0.818 308 A HN 0.258 nan 8.150 nan 0.000 0.443 309 Q N -0.581 119.029 119.800 -0.317 0.000 2.084 309 Q HA -0.260 4.080 4.340 0.000 0.000 0.202 309 Q C 2.074 177.720 176.000 -0.590 0.000 0.978 309 Q CA 2.041 57.548 55.803 -0.493 0.000 0.844 309 Q CB -0.117 28.305 28.738 -0.526 0.000 0.898 309 Q HN 0.476 nan 8.270 nan 0.000 0.426 310 K N -0.059 120.138 120.400 -0.338 0.000 2.063 310 K HA -0.112 4.208 4.320 0.000 0.000 0.208 310 K C 1.885 178.413 176.600 -0.119 0.000 1.048 310 K CA 2.248 58.427 56.287 -0.180 0.000 0.928 310 K CB -0.673 31.774 32.500 -0.087 0.000 0.713 310 K HN 0.218 nan 8.250 nan 0.000 0.442 311 T N 1.473 115.935 114.554 -0.154 0.000 2.720 311 T HA -0.160 4.190 4.350 0.000 0.000 0.268 311 T C 1.585 176.155 174.700 -0.215 0.000 1.037 311 T CA 1.427 63.409 62.100 -0.197 0.000 1.144 311 T CB -0.352 68.336 68.868 -0.299 0.000 0.864 311 T HN 0.187 nan 8.240 nan 0.000 0.444 312 L N 0.576 121.663 121.223 -0.228 0.000 2.017 312 L HA -0.008 4.332 4.340 0.000 0.000 0.208 312 L C 1.940 178.910 176.870 0.166 0.000 1.073 312 L CA 1.798 56.573 54.840 -0.108 0.000 0.745 312 L CB -0.958 41.047 42.059 -0.092 0.000 0.894 312 L HN 0.129 nan 8.230 nan 0.000 0.432 313 F N 0.209 120.141 119.950 -0.031 0.000 2.186 313 F HA -0.125 4.402 4.527 0.000 0.000 0.299 313 F C 2.414 178.209 175.800 -0.008 0.000 1.090 313 F CA 0.780 58.773 58.000 -0.012 0.000 1.307 313 F CB -1.546 37.444 39.000 -0.017 0.000 1.019 313 F HN 0.265 nan 8.300 nan 0.000 0.489 314 N N -0.338 118.463 118.700 0.169 0.000 2.104 314 N HA -0.259 4.481 4.740 0.000 0.000 0.190 314 N C 1.903 177.457 175.510 0.074 0.000 1.024 314 N CA 1.328 54.427 53.050 0.082 0.000 0.853 314 N CB -1.133 37.375 38.487 0.036 0.000 1.008 314 N HN 0.364 nan 8.380 nan 0.000 0.424 315 Y N 1.368 121.647 120.300 -0.034 0.000 2.224 315 Y HA -0.049 4.501 4.550 0.000 0.000 0.289 315 Y C 1.986 177.877 175.900 -0.016 0.000 1.146 315 Y CA 1.288 59.363 58.100 -0.041 0.000 1.182 315 Y CB -0.244 38.163 38.460 -0.089 0.000 0.983 315 Y HN -0.007 nan 8.280 nan 0.000 0.524 316 L N -0.354 120.929 121.223 0.101 0.000 2.395 316 L HA 0.085 4.425 4.340 0.000 0.000 0.218 316 L C 1.720 178.549 176.870 -0.067 0.000 1.130 316 L CA 0.812 55.655 54.840 0.004 0.000 0.826 316 L CB -0.763 41.336 42.059 0.066 0.000 0.941 316 L HN 0.503 nan 8.230 nan 0.000 0.451 317 G N 0.973 109.745 108.800 -0.047 0.000 2.182 317 G HA2 -0.218 3.742 3.960 0.000 0.000 0.248 317 G HA3 -0.218 3.742 3.960 0.000 0.000 0.248 317 G C 0.065 174.935 174.900 -0.051 0.000 1.042 317 G CA 0.217 45.285 45.100 -0.053 0.000 0.775 317 G HN 0.292 nan 8.290 nan 0.000 0.501 318 V N -2.265 117.617 119.914 -0.053 0.000 2.680 318 V HA 0.982 5.102 4.120 0.000 0.000 0.309 318 V C -0.298 175.752 176.094 -0.073 0.000 1.052 318 V CA -0.290 61.947 62.300 -0.105 0.000 0.908 318 V CB 2.287 33.976 31.823 -0.223 0.000 1.001 318 V HN 0.702 nan 8.190 nan 0.000 0.431 319 D N 1.674 122.033 120.400 -0.068 0.000 2.759 319 D HA 0.753 5.393 4.640 0.000 0.000 0.321 319 D C 0.505 176.784 176.300 -0.036 0.000 1.267 319 D CA 0.194 54.181 54.000 -0.022 0.000 0.933 319 D CB 0.944 41.751 40.800 0.011 0.000 1.431 319 D HN 1.721 nan 8.370 nan 0.000 0.504 320 G N -0.117 108.680 108.800 -0.005 0.000 2.596 320 G HA2 -0.071 3.889 3.960 0.000 0.000 0.295 320 G HA3 -0.071 3.889 3.960 0.000 0.000 0.295 320 G C 1.131 176.018 174.900 -0.022 0.000 1.240 320 G CA 1.815 46.910 45.100 -0.008 0.000 0.985 320 G HN 1.473 nan 8.290 nan 0.000 0.555 321 A N -0.537 122.267 122.820 -0.027 0.000 1.969 321 A HA 0.381 4.701 4.320 0.000 0.000 0.218 321 A C 2.984 180.534 177.584 -0.057 0.000 1.169 321 A CA 3.207 55.225 52.037 -0.031 0.000 0.635 321 A CB -0.969 18.017 19.000 -0.023 0.000 0.810 321 A HN 2.244 nan 8.150 nan 0.000 0.445 322 A N 0.167 122.942 122.820 -0.075 0.000 1.858 322 A HA 0.116 4.436 4.320 0.000 0.000 0.216 322 A C 2.530 180.002 177.584 -0.187 0.000 1.190 322 A CA 2.210 54.181 52.037 -0.110 0.000 0.617 322 A CB -1.131 17.805 19.000 -0.107 0.000 0.827 322 A HN 1.072 nan 8.150 nan 0.000 0.443 323 A N 0.085 122.765 122.820 -0.233 0.000 1.908 323 A HA -0.206 4.114 4.320 0.000 0.000 0.218 323 A C 1.701 179.133 177.584 -0.254 0.000 1.181 323 A CA 1.897 53.667 52.037 -0.446 0.000 0.627 323 A CB -0.662 18.143 19.000 -0.325 0.000 0.818 323 A HN 0.497 nan 8.150 nan 0.000 0.445 324 D N -0.223 120.130 120.400 -0.079 0.000 2.218 324 D HA -0.074 4.566 4.640 0.000 0.000 0.204 324 D C 2.079 178.370 176.300 -0.014 0.000 0.976 324 D CA 1.914 55.913 54.000 -0.001 0.000 0.853 324 D CB -0.204 40.601 40.800 0.008 0.000 0.939 324 D HN 0.608 nan 8.370 nan 0.000 0.481 325 K N 0.464 120.830 120.400 -0.056 0.000 2.418 325 K HA 0.105 4.425 4.320 0.000 0.000 0.195 325 K C 1.331 177.904 176.600 -0.044 0.000 1.035 325 K CA 0.177 56.439 56.287 -0.041 0.000 1.003 325 K CB -0.659 31.812 32.500 -0.048 0.000 0.793 325 K HN 0.162 nan 8.250 nan 0.000 0.494 326 L N 1.264 122.433 121.223 -0.090 0.000 2.439 326 L HA 0.412 4.752 4.340 0.000 0.000 0.269 326 L C 0.907 177.813 176.870 0.061 0.000 1.179 326 L CA -0.083 54.717 54.840 -0.066 0.000 0.828 326 L CB 1.419 43.329 42.059 -0.249 0.000 1.106 326 L HN 0.489 nan 8.230 nan 0.000 0.467 327 E N 4.024 124.267 120.200 0.073 0.000 3.303 327 E HA 0.356 4.706 4.350 0.000 0.000 0.215 327 E C -2.470 174.193 176.600 0.104 0.000 1.181 327 E CA -1.616 54.838 56.400 0.090 0.000 0.998 327 E CB 0.050 29.783 29.700 0.056 0.000 1.312 327 E HN 0.444 nan 8.360 nan 0.000 0.412 328 P HA 0.527 nan 4.420 nan 0.000 0.272 328 P C 0.023 177.374 177.300 0.085 0.000 1.223 328 P CA -0.146 63.028 63.100 0.123 0.000 0.784 328 P CB 0.864 32.656 31.700 0.153 0.000 0.923 329 R N 1.381 121.927 120.500 0.076 0.000 2.445 329 R HA 0.400 4.741 4.340 0.000 0.000 0.308 329 R C -0.117 176.226 176.300 0.071 0.000 0.961 329 R CA -0.813 55.330 56.100 0.071 0.000 0.862 329 R CB 0.507 30.853 30.300 0.076 0.000 1.144 329 R HN 0.697 nan 8.270 nan 0.000 0.447 330 Q N 1.096 120.933 119.800 0.061 0.000 2.271 330 Q HA 0.777 5.117 4.340 0.000 0.000 0.258 330 Q C -1.157 174.869 176.000 0.045 0.000 0.936 330 Q CA -0.336 55.502 55.803 0.058 0.000 0.909 330 Q CB 1.680 30.452 28.738 0.056 0.000 1.253 330 Q HN 0.808 nan 8.270 nan 0.000 0.440 331 L N 1.065 122.310 121.223 0.038 0.000 2.362 331 L HA 1.010 5.350 4.340 0.000 0.000 0.271 331 L C -0.794 176.074 176.870 -0.003 0.000 1.002 331 L CA -0.550 54.308 54.840 0.030 0.000 0.818 331 L CB 1.394 43.491 42.059 0.064 0.000 1.298 331 L HN 0.835 nan 8.230 nan 0.000 0.420 332 A N 2.819 125.638 122.820 -0.002 0.000 2.355 332 A HA 0.973 5.293 4.320 0.000 0.000 0.317 332 A C -0.455 177.140 177.584 0.019 0.000 1.094 332 A CA -0.179 51.849 52.037 -0.015 0.000 0.764 332 A CB 1.022 20.010 19.000 -0.020 0.000 1.230 332 A HN 2.215 nan 8.150 nan 0.000 0.448 333 I N -0.978 119.619 120.570 0.045 0.000 3.174 333 I HA 0.652 4.822 4.170 0.000 0.000 0.313 333 I C -0.929 175.242 176.117 0.090 0.000 1.155 333 I CA -1.111 60.243 61.300 0.091 0.000 0.977 333 I CB 2.421 40.553 38.000 0.220 0.000 1.248 333 I HN 0.445 nan 8.210 nan 0.000 0.453 334 N N 4.028 122.786 118.700 0.096 0.000 2.546 334 N HA 0.475 5.215 4.740 0.000 0.000 0.238 334 N C -2.684 173.014 175.510 0.314 0.000 0.984 334 N CA -2.268 50.874 53.050 0.154 0.000 0.935 334 N CB 1.012 39.550 38.487 0.087 0.000 1.122 334 N HN 0.422 nan 8.380 nan 0.000 0.510 335 P HA 0.301 nan 4.420 nan 0.000 0.268 335 P C 0.157 177.636 177.300 0.298 0.000 1.204 335 P CA 0.257 63.542 63.100 0.309 0.000 0.768 335 P CB 0.897 32.724 31.700 0.212 0.000 0.842 336 G N 2.035 110.982 108.800 0.246 0.000 2.343 336 G HA2 0.446 4.406 3.960 0.000 0.000 0.289 336 G HA3 0.446 4.406 3.960 0.000 0.000 0.289 336 G C -2.209 172.367 174.900 -0.539 0.000 1.295 336 G CA -0.776 44.154 45.100 -0.284 0.000 0.869 336 G HN 0.598 nan 8.290 nan 0.000 0.522 337 Y N -1.133 118.457 120.300 -1.184 0.000 2.571 337 Y HA 0.866 5.416 4.550 0.000 0.000 0.341 337 Y C -0.040 175.457 175.900 -0.671 0.000 1.076 337 Y CA -1.716 55.788 58.100 -0.994 0.000 1.029 337 Y CB 1.046 38.408 38.460 -1.830 0.000 1.308 337 Y HN 0.562 nan 8.280 nan 0.000 0.461 338 R N 1.189 121.659 120.500 -0.050 0.000 2.643 338 R HA 0.344 4.684 4.340 0.000 0.000 0.270 338 R C 0.937 177.321 176.300 0.140 0.000 1.061 338 R CA 0.526 56.668 56.100 0.071 0.000 1.107 338 R CB 1.156 31.577 30.300 0.203 0.000 0.999 338 R HN 1.090 nan 8.270 nan 0.000 0.460 339 A N 3.008 125.860 122.820 0.053 0.000 1.972 339 A HA -0.139 4.181 4.320 0.000 0.000 0.219 339 A C 0.317 178.079 177.584 0.296 0.000 1.169 339 A CA 1.422 53.528 52.037 0.114 0.000 0.635 339 A CB 0.079 19.101 19.000 0.036 0.000 0.810 339 A HN 0.582 nan 8.150 nan 0.000 0.446 340 K N -2.127 118.398 120.400 0.209 0.000 2.435 340 K HA 0.384 4.704 4.320 0.000 0.000 0.251 340 K C 0.333 176.824 176.600 -0.182 0.000 0.954 340 K CA -0.118 56.223 56.287 0.090 0.000 0.820 340 K CB 1.738 34.288 32.500 0.082 0.000 1.292 340 K HN 0.295 nan 8.250 nan 0.000 0.436 341 C N -0.286 118.657 119.300 -0.594 0.000 2.673 341 C HA 0.344 4.804 4.460 0.000 0.000 0.264 341 C C 0.059 175.038 174.990 -0.019 0.000 1.304 341 C CA -0.607 58.155 59.018 -0.426 0.000 1.727 341 C CB -0.401 26.977 27.740 -0.603 0.000 1.932 341 C HN 0.724 nan 8.230 nan 0.000 0.563 342 W N 2.558 123.780 121.300 -0.130 0.000 2.587 342 W HA 0.625 5.285 4.660 0.000 0.000 0.324 342 W C -1.299 175.211 176.519 -0.016 0.000 1.008 342 W CA -0.849 56.468 57.345 -0.047 0.000 1.265 342 W CB 0.885 30.325 29.460 -0.033 0.000 1.328 342 W HN 0.303 nan 8.180 nan 0.000 0.432 343 Q N 5.026 125.079 119.800 0.422 0.000 2.323 343 Q HA 0.419 4.759 4.340 0.000 0.000 0.271 343 Q C 0.379 176.550 176.000 0.285 0.000 1.048 343 Q CA 0.080 56.033 55.803 0.251 0.000 0.792 343 Q CB 1.328 30.153 28.738 0.144 0.000 1.280 343 Q HN 0.666 nan 8.270 nan 0.000 0.441 344 N N 1.832 120.654 118.700 0.203 0.000 1.241 344 N HA -0.331 4.409 4.740 0.000 0.000 0.135 344 N C -0.479 175.239 175.510 0.346 0.000 0.723 344 N CA 2.247 55.414 53.050 0.196 0.000 0.950 344 N CB -0.931 37.646 38.487 0.150 0.000 1.215 344 N HN 0.906 nan 8.380 nan 0.000 0.520 345 N N 0.302 119.187 118.700 0.308 0.000 2.380 345 N HA 0.251 4.991 4.740 0.000 0.000 0.255 345 N C -1.196 174.454 175.510 0.233 0.000 1.158 345 N CA -0.174 53.083 53.050 0.345 0.000 0.878 345 N CB -0.092 38.568 38.487 0.288 0.000 1.138 345 N HN 0.542 nan 8.380 nan 0.000 0.509 346 C N 0.933 120.331 119.300 0.164 0.000 2.396 346 C HA 0.682 5.142 4.460 0.000 0.000 0.321 346 C C -0.774 174.112 174.990 -0.174 0.000 1.233 346 C CA -0.897 58.137 59.018 0.026 0.000 1.440 346 C CB -0.453 27.340 27.740 0.088 0.000 2.110 346 C HN 0.407 nan 8.230 nan 0.000 0.473 347 I N 5.519 125.877 120.570 -0.354 0.000 2.433 347 I HA 0.559 4.729 4.170 0.000 0.000 0.292 347 I C 0.490 176.498 176.117 -0.182 0.000 1.001 347 I CA -0.237 60.819 61.300 -0.405 0.000 1.119 347 I CB 1.757 39.339 38.000 -0.697 0.000 1.289 347 I HN 0.796 nan 8.210 nan 0.000 0.438 348 A N 7.895 130.666 122.820 -0.081 0.000 2.290 348 A HA 0.837 5.157 4.320 0.000 0.000 0.310 348 A C -0.521 177.084 177.584 0.035 0.000 1.202 348 A CA -0.321 51.714 52.037 -0.003 0.000 0.837 348 A CB 0.407 19.440 19.000 0.056 0.000 1.139 348 A HN 0.681 nan 8.150 nan 0.000 0.509 349 I N 1.922 122.515 120.570 0.037 0.000 2.533 349 I HA 0.626 4.796 4.170 0.000 0.000 0.290 349 I C 0.605 176.781 176.117 0.098 0.000 1.056 349 I CA -0.082 61.260 61.300 0.069 0.000 1.057 349 I CB 1.927 39.920 38.000 -0.012 0.000 1.240 349 I HN 1.159 nan 8.210 nan 0.000 0.423 353 A N -0.124 122.851 122.820 0.259 0.000 1.911 353 A HA 0.580 4.900 4.320 0.000 0.000 0.212 353 A C 1.372 179.194 177.584 0.397 0.000 1.189 353 A CA 1.786 54.027 52.037 0.339 0.000 0.639 353 A CB -0.217 19.046 19.000 0.437 0.000 0.839 353 A HN 2.128 nan 8.150 nan 0.000 0.449 354 G N -2.656 106.416 108.800 0.454 0.000 2.368 354 G HA2 0.465 4.425 3.960 0.000 0.000 0.293 354 G HA3 0.465 4.425 3.960 0.000 0.000 0.293 354 G C -1.786 173.501 174.900 0.645 0.000 1.467 354 G CA -0.220 45.116 45.100 0.393 0.000 0.804 354 G HN 0.775 nan 8.290 nan 0.000 0.535 355 F N 0.222 120.417 119.950 0.407 0.000 2.669 355 F HA 0.691 5.218 4.527 0.000 0.000 0.315 355 F C -0.892 175.164 175.800 0.427 0.000 1.109 355 F CA -0.903 57.363 58.000 0.444 0.000 1.028 355 F CB 1.367 40.545 39.000 0.298 0.000 1.287 355 F HN 0.776 nan 8.300 nan 0.000 0.452 356 I N 0.760 121.075 120.570 -0.425 0.000 3.343 356 I HA 0.540 4.710 4.170 0.000 0.000 0.315 356 I C -0.726 175.028 176.117 -0.605 0.000 1.153 356 I CA -1.335 59.819 61.300 -0.243 0.000 0.952 356 I CB 1.862 39.947 38.000 0.141 0.000 1.287 356 I HN 0.715 nan 8.210 nan 0.000 0.472 357 E N 2.211 122.351 120.200 -0.100 0.000 2.508 357 E HA 0.022 4.372 4.350 0.000 0.000 0.266 357 E C -1.975 174.687 176.600 0.104 0.000 1.010 357 E CA -1.060 55.391 56.400 0.085 0.000 0.955 357 E CB -0.154 29.772 29.700 0.377 0.000 0.946 357 E HN 0.482 nan 8.360 nan 0.000 0.454 358 P HA 0.045 nan 4.420 nan 0.000 0.259 358 P C -0.165 177.380 177.300 0.408 0.000 1.480 358 P CA -0.181 63.045 63.100 0.210 0.000 0.842 358 P CB -0.155 31.563 31.700 0.030 0.000 1.513 359 L N 1.268 122.775 121.223 0.472 0.000 2.462 359 L HA 0.071 4.411 4.340 0.000 0.000 0.272 359 L C 1.002 177.910 176.870 0.063 0.000 1.166 359 L CA 0.975 55.881 54.840 0.110 0.000 0.880 359 L CB -0.695 41.293 42.059 -0.119 0.000 1.142 359 L HN 0.020 nan 8.230 nan 0.000 0.473 360 E N 3.356 123.612 120.200 0.093 0.000 3.496 360 E HA -0.309 4.041 4.350 0.000 0.000 0.300 360 E C 0.621 177.548 176.600 0.545 0.000 0.877 360 E CA 0.911 57.495 56.400 0.307 0.000 1.050 360 E CB -2.003 27.894 29.700 0.328 0.000 1.532 360 E HN 1.224 nan 8.360 nan 0.000 0.447 361 A N -0.218 122.842 122.820 0.399 0.000 2.519 361 A HA -0.278 4.042 4.320 0.000 0.000 0.297 361 A C 1.530 179.309 177.584 0.325 0.000 1.472 361 A CA 1.546 53.812 52.037 0.381 0.000 0.739 361 A CB -2.166 17.104 19.000 0.451 0.000 1.096 361 A HN 0.980 nan 8.150 nan 0.000 0.414 362 S N -0.929 114.888 115.700 0.195 0.000 2.496 362 S HA 0.299 4.769 4.470 0.000 0.000 0.224 362 S C 1.878 176.372 174.600 -0.176 0.000 0.996 362 S CA 1.131 59.304 58.200 -0.045 0.000 0.927 362 S CB -0.194 62.981 63.200 -0.042 0.000 0.774 362 S HN 2.015 nan 8.310 nan 0.000 0.524 363 A N 2.510 125.326 122.820 -0.008 0.000 1.841 363 A HA 0.185 4.505 4.320 0.000 0.000 0.214 363 A C 2.241 179.831 177.584 0.009 0.000 1.195 363 A CA 1.315 53.409 52.037 0.095 0.000 0.611 363 A CB -0.938 18.223 19.000 0.269 0.000 0.835 363 A HN 0.506 nan 8.150 nan 0.000 0.443 364 L N -0.710 120.497 121.223 -0.028 0.000 2.141 364 L HA -0.152 4.188 4.340 0.000 0.000 0.209 364 L C 3.071 179.818 176.870 -0.205 0.000 1.094 364 L CA 0.822 55.637 54.840 -0.042 0.000 0.763 364 L CB -0.481 41.601 42.059 0.039 0.000 0.908 364 L HN 0.459 nan 8.230 nan 0.000 0.437 365 A N 0.214 122.726 122.820 -0.512 0.000 1.908 365 A HA -0.202 4.118 4.320 0.000 0.000 0.218 365 A C 2.235 179.551 177.584 -0.447 0.000 1.181 365 A CA 1.585 53.138 52.037 -0.808 0.000 0.627 365 A CB -0.676 17.150 19.000 -1.955 0.000 0.818 365 A HN 0.369 nan 8.150 nan 0.000 0.445 366 L N -0.817 120.213 121.223 -0.321 0.000 2.093 366 L HA -0.135 4.205 4.340 0.000 0.000 0.208 366 L C 2.469 179.409 176.870 0.117 0.000 1.085 366 L CA 0.994 55.797 54.840 -0.062 0.000 0.755 366 L CB -0.438 41.599 42.059 -0.037 0.000 0.904 366 L HN 0.376 nan 8.230 nan 0.000 0.435 367 I N -0.146 120.456 120.570 0.052 0.000 2.127 367 I HA -0.324 3.846 4.170 0.000 0.000 0.241 367 I C 2.479 178.605 176.117 0.015 0.000 1.075 367 I CA 1.538 62.871 61.300 0.055 0.000 1.334 367 I CB -0.271 37.755 38.000 0.042 0.000 1.040 367 I HN 0.286 nan 8.210 nan 0.000 0.405 368 E N -0.302 119.887 120.200 -0.018 0.000 2.077 368 E HA -0.291 4.059 4.350 0.000 0.000 0.193 368 E C 1.891 178.479 176.600 -0.019 0.000 0.989 368 E CA 1.735 58.115 56.400 -0.034 0.000 0.800 368 E CB -0.297 29.366 29.700 -0.062 0.000 0.746 368 E HN 0.578 nan 8.360 nan 0.000 0.452 369 W N 1.811 123.042 121.300 -0.115 0.000 2.355 369 W HA -0.192 4.468 4.660 0.000 0.000 0.309 369 W C 2.177 178.709 176.519 0.021 0.000 1.206 369 W CA 2.233 59.541 57.345 -0.061 0.000 1.284 369 W CB -0.527 28.860 29.460 -0.121 0.000 1.145 369 W HN -0.112 nan 8.180 nan 0.000 0.502 370 T N 0.704 115.162 114.554 -0.160 0.000 2.777 370 T HA -0.138 4.212 4.350 0.000 0.000 0.266 370 T C 1.992 176.461 174.700 -0.385 0.000 1.040 370 T CA 2.003 63.843 62.100 -0.434 0.000 1.141 370 T CB -1.045 67.835 68.868 0.021 0.000 0.868 370 T HN 0.255 nan 8.240 nan 0.000 0.444 371 A N 1.579 124.269 122.820 -0.216 0.000 1.873 371 A HA -0.067 4.253 4.320 0.000 0.000 0.215 371 A C 2.622 180.095 177.584 -0.185 0.000 1.186 371 A CA 1.843 53.774 52.037 -0.177 0.000 0.616 371 A CB -0.893 18.040 19.000 -0.111 0.000 0.823 371 A HN 0.432 nan 8.150 nan 0.000 0.442 372 S N -0.341 115.242 115.700 -0.195 0.000 2.368 372 S HA -0.131 4.339 4.470 0.000 0.000 0.225 372 S C 2.037 176.517 174.600 -0.200 0.000 1.030 372 S CA 1.793 59.895 58.200 -0.162 0.000 0.999 372 S CB -0.567 62.556 63.200 -0.129 0.000 0.844 372 S HN 0.695 nan 8.310 nan 0.000 0.459 373 T N 2.667 116.994 114.554 -0.379 0.000 2.708 373 T HA -0.036 4.314 4.350 0.000 0.000 0.266 373 T C 1.788 176.381 174.700 -0.179 0.000 1.037 373 T CA 1.137 63.023 62.100 -0.355 0.000 1.146 373 T CB -0.452 67.953 68.868 -0.772 0.000 0.865 373 T HN 0.209 nan 8.240 nan 0.000 0.435 374 L N 1.537 122.638 121.223 -0.203 0.000 2.046 374 L HA 0.072 4.412 4.340 0.000 0.000 0.208 374 L C 2.580 179.434 176.870 -0.027 0.000 1.077 374 L CA 1.924 56.699 54.840 -0.109 0.000 0.747 374 L CB -1.038 40.887 42.059 -0.223 0.000 0.896 374 L HN 0.216 nan 8.230 nan 0.000 0.432 375 A N -1.130 121.675 122.820 -0.026 0.000 1.933 375 A HA -0.242 4.078 4.320 0.000 0.000 0.218 375 A C 2.172 179.839 177.584 0.138 0.000 1.175 375 A CA 1.828 53.922 52.037 0.095 0.000 0.628 375 A CB -0.546 18.470 19.000 0.027 0.000 0.814 375 A HN 0.694 nan 8.150 nan 0.000 0.444 376 Q N -1.004 118.816 119.800 0.033 0.000 2.311 376 Q HA -0.014 4.326 4.340 0.000 0.000 0.203 376 Q C 0.534 176.574 176.000 0.068 0.000 0.954 376 Q CA 0.803 56.624 55.803 0.031 0.000 0.885 376 Q CB 0.135 28.872 28.738 -0.001 0.000 0.963 376 Q HN 0.717 nan 8.270 nan 0.000 0.471 377 Q N 0.744 120.592 119.800 0.081 0.000 2.217 377 Q HA 0.192 4.532 4.340 0.000 0.000 0.340 377 Q C -0.983 175.094 176.000 0.128 0.000 0.893 377 Q CA -0.343 55.520 55.803 0.099 0.000 1.142 377 Q CB 0.670 29.469 28.738 0.102 0.000 1.288 377 Q HN 0.151 nan 8.270 nan 0.000 0.426 378 L N 2.663 123.953 121.223 0.112 0.000 2.584 378 L HA 0.144 4.484 4.340 0.000 0.000 0.272 378 L C -2.393 174.516 176.870 0.065 0.000 1.195 378 L CA -0.944 53.926 54.840 0.050 0.000 0.920 378 L CB 0.278 42.271 42.059 -0.110 0.000 1.173 378 L HN -0.026 nan 8.230 nan 0.000 0.489 379 P HA 0.180 nan 4.420 nan 0.000 0.271 379 P C -2.215 175.107 177.300 0.037 0.000 1.216 379 P CA -1.099 62.053 63.100 0.086 0.000 0.771 379 P CB 0.293 32.077 31.700 0.140 0.000 0.864 380 P HA -0.139 nan 4.420 nan 0.000 0.216 380 P C -0.098 177.209 177.300 0.010 0.000 1.150 380 P CA 1.645 64.753 63.100 0.012 0.000 0.837 380 P CB 0.054 31.762 31.700 0.012 0.000 0.786 381 N N -4.413 114.298 118.700 0.019 0.000 3.179 381 N HA 0.303 5.043 4.740 0.000 0.000 0.250 381 N C -0.718 174.811 175.510 0.032 0.000 1.507 381 N CA -1.012 52.051 53.050 0.021 0.000 0.883 381 N CB 0.512 39.007 38.487 0.014 0.000 1.435 381 N HN -0.355 nan 8.380 nan 0.000 0.532 387 T N 1.072 115.524 114.554 -0.171 0.000 2.777 387 T HA 0.035 4.385 4.350 0.000 0.000 0.266 387 T C 2.115 176.713 174.700 -0.170 0.000 1.040 387 T CA 0.868 62.888 62.100 -0.134 0.000 1.141 387 T CB 0.069 68.887 68.868 -0.084 0.000 0.868 387 T HN 0.166 nan 8.240 nan 0.000 0.444 388 I N 1.622 122.052 120.570 -0.234 0.000 2.286 388 I HA -0.139 4.031 4.170 0.000 0.000 0.245 388 I C 2.796 178.626 176.117 -0.478 0.000 1.104 388 I CA 1.161 62.303 61.300 -0.264 0.000 1.397 388 I CB -0.335 37.543 38.000 -0.205 0.000 1.072 388 I HN 0.299 nan 8.210 nan 0.000 0.417 389 S N 1.392 116.564 115.700 -0.880 0.000 2.382 389 S HA -0.130 4.340 4.470 0.000 0.000 0.228 389 S C 2.235 176.589 174.600 -0.410 0.000 1.027 389 S CA 0.840 58.370 58.200 -1.118 0.000 0.991 389 S CB -0.592 61.595 63.200 -1.689 0.000 0.823 389 S HN 0.385 nan 8.310 nan 0.000 0.469 390 A N 3.702 126.350 122.820 -0.287 0.000 1.902 390 A HA -0.140 4.180 4.320 0.000 0.000 0.217 390 A C 2.437 179.989 177.584 -0.053 0.000 1.181 390 A CA 1.647 53.608 52.037 -0.126 0.000 0.623 390 A CB -0.754 18.185 19.000 -0.102 0.000 0.818 390 A HN 0.793 nan 8.150 nan 0.000 0.443 391 R N -0.727 119.739 120.500 -0.056 0.000 2.119 391 R HA 0.026 4.366 4.340 0.000 0.000 0.222 391 R C 1.649 178.000 176.300 0.086 0.000 1.088 391 R CA 1.411 57.517 56.100 0.011 0.000 0.984 391 R CB -0.839 29.466 30.300 0.009 0.000 0.884 391 R HN 0.224 nan 8.270 nan 0.000 0.447 392 V N 2.613 122.589 119.914 0.102 0.000 2.343 392 V HA -0.223 3.897 4.120 0.000 0.000 0.247 392 V C 1.852 178.159 176.094 0.355 0.000 1.051 392 V CA 1.922 64.388 62.300 0.278 0.000 1.036 392 V CB -0.661 31.357 31.823 0.326 0.000 0.654 392 V HN 0.407 nan 8.190 nan 0.000 0.451 393 N N -0.094 118.740 118.700 0.222 0.000 2.166 393 N HA -0.180 4.560 4.740 0.000 0.000 0.186 393 N C 1.945 177.603 175.510 0.247 0.000 1.019 393 N CA 1.278 54.477 53.050 0.248 0.000 0.856 393 N CB -0.300 38.272 38.487 0.141 0.000 0.993 393 N HN 0.523 nan 8.380 nan 0.000 0.426 394 E N 1.280 121.557 120.200 0.128 0.000 2.077 394 E HA -0.178 4.172 4.350 0.000 0.000 0.193 394 E C 1.905 178.478 176.600 -0.045 0.000 0.989 394 E CA 0.877 57.303 56.400 0.043 0.000 0.800 394 E CB 0.093 29.796 29.700 0.006 0.000 0.746 394 E HN 0.075 nan 8.360 nan 0.000 0.452 395 R N -0.058 120.429 120.500 -0.021 0.000 2.075 395 R HA -0.167 4.173 4.340 0.000 0.000 0.232 395 R C 2.396 178.411 176.300 -0.476 0.000 1.126 395 R CA 1.707 57.644 56.100 -0.273 0.000 0.963 395 R CB -1.264 29.027 30.300 -0.015 0.000 0.858 395 R HN 0.323 nan 8.270 nan 0.000 0.435 396 Y N 0.919 121.121 120.300 -0.164 0.000 2.165 396 Y HA -0.282 4.268 4.550 0.000 0.000 0.286 396 Y C 1.920 177.803 175.900 -0.029 0.000 1.155 396 Y CA 2.265 60.317 58.100 -0.080 0.000 1.164 396 Y CB -0.210 38.458 38.460 0.347 0.000 0.978 396 Y HN 0.216 nan 8.280 nan 0.000 0.513 397 Q N -0.040 119.772 119.800 0.021 0.000 2.084 397 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 397 Q C 2.313 178.198 176.000 -0.192 0.000 0.978 397 Q CA 1.994 57.760 55.803 -0.063 0.000 0.844 397 Q CB -0.187 28.609 28.738 0.097 0.000 0.898 397 Q HN 0.649 nan 8.270 nan 0.000 0.426 398 Q N -0.645 118.955 119.800 -0.333 0.000 2.084 398 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 398 Q C 1.975 177.785 176.000 -0.317 0.000 0.978 398 Q CA 1.128 56.657 55.803 -0.456 0.000 0.844 398 Q CB -0.051 28.074 28.738 -1.021 0.000 0.898 398 Q HN 0.481 nan 8.270 nan 0.000 0.426 399 H N -0.917 117.898 119.070 -0.424 0.000 2.319 399 H HA -0.168 4.388 4.556 0.000 0.000 0.299 399 H C 1.558 176.630 175.328 -0.428 0.000 1.092 399 H CA 1.240 57.020 56.048 -0.446 0.000 1.302 399 H CB -0.539 28.774 29.762 -0.748 0.000 1.373 399 H HN 0.391 nan 8.280 nan 0.000 0.497 400 W N 1.452 122.486 121.300 -0.443 0.000 2.388 400 W HA -0.126 4.534 4.660 0.000 0.000 0.294 400 W C 2.929 179.232 176.519 -0.360 0.000 1.212 400 W CA 1.260 58.215 57.345 -0.650 0.000 1.271 400 W CB -0.171 28.336 29.460 -1.589 0.000 1.126 400 W HN 0.261 nan 8.180 nan 0.000 0.535 401 Q N 0.428 120.217 119.800 -0.017 0.000 2.084 401 Q HA -0.310 4.030 4.340 0.000 0.000 0.202 401 Q C 2.273 178.369 176.000 0.160 0.000 0.978 401 Q CA 1.903 57.763 55.803 0.096 0.000 0.844 401 Q CB -0.426 28.357 28.738 0.075 0.000 0.898 401 Q HN 0.366 nan 8.270 nan 0.000 0.426 402 Q N 0.020 119.930 119.800 0.183 0.000 2.084 402 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 402 Q C 2.072 178.298 176.000 0.376 0.000 0.978 402 Q CA 1.394 57.397 55.803 0.334 0.000 0.844 402 Q CB -0.049 28.942 28.738 0.421 0.000 0.898 402 Q HN 0.521 nan 8.270 nan 0.000 0.426 403 I N 0.557 121.285 120.570 0.263 0.000 2.179 403 I HA -0.296 3.874 4.170 0.000 0.000 0.242 403 I C 2.090 178.346 176.117 0.232 0.000 1.088 403 I CA 0.671 62.137 61.300 0.276 0.000 1.357 403 I CB -0.215 37.753 38.000 -0.054 0.000 1.051 403 I HN 0.284 nan 8.210 nan 0.000 0.409 404 I N 0.588 121.297 120.570 0.233 0.000 2.226 404 I HA -0.281 3.889 4.170 0.000 0.000 0.245 404 I C 2.126 178.358 176.117 0.192 0.000 1.100 404 I CA 1.718 63.155 61.300 0.229 0.000 1.374 404 I CB -1.375 36.781 38.000 0.261 0.000 1.057 404 I HN 0.252 nan 8.210 nan 0.000 0.413 405 D N 0.314 120.849 120.400 0.226 0.000 2.117 405 D HA -0.186 4.454 4.640 0.000 0.000 0.198 405 D C 2.039 178.511 176.300 0.287 0.000 0.982 405 D CA 0.924 55.067 54.000 0.240 0.000 0.828 405 D CB -0.390 40.571 40.800 0.269 0.000 0.967 405 D HN 0.209 nan 8.370 nan 0.000 0.464 406 F N 1.061 121.069 119.950 0.097 0.000 2.102 406 F HA -0.124 4.403 4.527 0.000 0.000 0.298 406 F C 1.903 177.639 175.800 -0.108 0.000 1.105 406 F CA 0.816 58.700 58.000 -0.193 0.000 1.239 406 F CB -0.445 38.126 39.000 -0.716 0.000 0.991 406 F HN -0.141 nan 8.300 nan 0.000 0.474 407 L N 0.591 121.703 121.223 -0.184 0.000 2.017 407 L HA -0.198 4.142 4.340 0.000 0.000 0.208 407 L C 2.444 179.282 176.870 -0.052 0.000 1.073 407 L CA 1.921 56.583 54.840 -0.297 0.000 0.745 407 L CB -1.312 40.695 42.059 -0.087 0.000 0.894 407 L HN 0.057 nan 8.230 nan 0.000 0.432 408 K N -0.120 120.327 120.400 0.078 0.000 2.103 408 K HA -0.197 4.123 4.320 0.000 0.000 0.207 408 K C 2.027 178.697 176.600 0.117 0.000 1.048 408 K CA 1.253 57.625 56.287 0.142 0.000 0.930 408 K CB -0.726 31.830 32.500 0.093 0.000 0.716 408 K HN 0.114 nan 8.250 nan 0.000 0.444 409 L N 0.725 121.975 121.223 0.044 0.000 2.051 409 L HA -0.229 4.111 4.340 0.000 0.000 0.214 409 L C 1.614 178.390 176.870 -0.157 0.000 1.076 409 L CA 2.054 56.871 54.840 -0.037 0.000 0.758 409 L CB -0.771 41.243 42.059 -0.076 0.000 0.890 409 L HN 0.374 nan 8.230 nan 0.000 0.433 410 H N -2.277 116.521 119.070 -0.454 0.000 2.387 410 H HA -0.154 4.402 4.556 0.000 0.000 0.299 410 H C 1.764 176.954 175.328 -0.230 0.000 1.099 410 H CA 2.340 58.004 56.048 -0.640 0.000 1.315 410 H CB -0.405 28.642 29.762 -1.192 0.000 1.380 410 H HN 0.463 nan 8.280 nan 0.000 0.513 411 Y N -0.602 119.772 120.300 0.122 0.000 2.269 411 Y HA -0.093 4.457 4.550 0.000 0.000 0.294 411 Y C 2.598 178.585 175.900 0.145 0.000 1.120 411 Y CA 0.841 59.017 58.100 0.128 0.000 1.159 411 Y CB -0.420 37.676 38.460 -0.608 0.000 1.024 411 Y HN 0.136 nan 8.280 nan 0.000 0.532 412 V N 0.052 120.100 119.914 0.224 0.000 2.626 412 V HA -0.181 3.939 4.120 0.000 0.000 0.252 412 V C 1.594 177.805 176.094 0.194 0.000 1.067 412 V CA 1.851 64.269 62.300 0.196 0.000 1.081 412 V CB -1.067 30.840 31.823 0.140 0.000 0.686 412 V HN 0.537 nan 8.190 nan 0.000 0.468 413 I N -0.992 119.671 120.570 0.155 0.000 3.861 413 I HA 0.337 4.507 4.170 0.000 0.000 0.329 413 I C 1.046 177.252 176.117 0.149 0.000 1.321 413 I CA 0.001 61.397 61.300 0.161 0.000 1.126 413 I CB -0.149 37.929 38.000 0.129 0.000 1.018 413 I HN 0.185 nan 8.210 nan 0.000 0.407 414 S N 1.219 117.042 115.700 0.205 0.000 2.584 414 S HA 0.118 4.588 4.470 0.000 0.000 0.270 414 S C 0.813 175.499 174.600 0.143 0.000 1.346 414 S CA 0.026 58.334 58.200 0.181 0.000 1.018 414 S CB 0.898 64.258 63.200 0.267 0.000 0.899 414 S HN 0.571 nan 8.310 nan 0.000 0.542 415 Q N 1.065 120.911 119.800 0.076 0.000 2.219 415 Q HA 0.184 4.524 4.340 0.000 0.000 0.209 415 Q C -0.123 175.903 176.000 0.044 0.000 0.854 415 Q CA -0.145 55.696 55.803 0.062 0.000 0.960 415 Q CB 0.396 29.155 28.738 0.036 0.000 1.116 415 Q HN 0.538 nan 8.270 nan 0.000 0.500 416 R N 0.843 121.346 120.500 0.005 0.000 2.538 416 R HA -0.070 4.270 4.340 0.000 0.000 0.282 416 R C 0.830 177.192 176.300 0.104 0.000 1.009 416 R CA 0.494 56.567 56.100 -0.046 0.000 1.063 416 R CB 0.444 30.546 30.300 -0.331 0.000 0.945 416 R HN 0.050 nan 8.270 nan 0.000 0.414 417 Q N 1.136 120.987 119.800 0.086 0.000 2.288 417 Q HA 0.037 4.377 4.340 0.000 0.000 0.256 417 Q C 0.758 176.836 176.000 0.129 0.000 0.835 417 Q CA 0.536 56.410 55.803 0.117 0.000 0.958 417 Q CB 0.684 29.468 28.738 0.078 0.000 1.125 417 Q HN 0.502 nan 8.270 nan 0.000 0.513 418 E N 0.737 121.004 120.200 0.112 0.000 2.208 418 E HA -0.004 4.346 4.350 0.000 0.000 0.193 418 E C -0.417 176.280 176.600 0.161 0.000 0.988 418 E CA 0.733 57.199 56.400 0.111 0.000 0.828 418 E CB 0.245 29.992 29.700 0.078 0.000 0.763 418 E HN 0.384 nan 8.360 nan 0.000 0.478 419 D N 0.160 120.708 120.400 0.248 0.000 2.256 419 D HA 0.122 4.762 4.640 0.000 0.000 0.246 419 D C 0.936 177.436 176.300 0.334 0.000 1.042 419 D CA -0.341 53.846 54.000 0.311 0.000 0.841 419 D CB 2.064 43.133 40.800 0.449 0.000 1.223 419 D HN -0.102 nan 8.370 nan 0.000 0.470 420 R N 2.011 122.672 120.500 0.269 0.000 2.103 420 R HA -0.250 4.090 4.340 0.000 0.000 0.242 420 R C 1.819 178.276 176.300 0.263 0.000 1.142 420 R CA 1.458 57.706 56.100 0.245 0.000 0.960 420 R CB -0.310 30.120 30.300 0.217 0.000 0.858 420 R HN 0.569 nan 8.270 nan 0.000 0.439 421 Y N -0.259 120.094 120.300 0.088 0.000 2.102 421 Y HA -0.308 4.242 4.550 0.000 0.000 0.280 421 Y C 1.556 177.384 175.900 -0.120 0.000 1.178 421 Y CA 2.290 60.203 58.100 -0.312 0.000 1.146 421 Y CB -0.495 37.691 38.460 -0.458 0.000 0.968 421 Y HN 0.153 nan 8.280 nan 0.000 0.504 422 W N 0.241 121.719 121.300 0.297 0.000 2.418 422 W HA -0.018 4.642 4.660 -0.000 0.000 0.292 422 W C 2.546 179.182 176.519 0.196 0.000 1.213 422 W CA 1.327 58.829 57.345 0.262 0.000 1.283 422 W CB -0.340 29.281 29.460 0.268 0.000 1.119 422 W HN -0.146 nan 8.180 nan 0.000 0.542 423 R N 0.136 120.843 120.500 0.346 0.000 2.081 423 R HA -0.146 4.194 4.340 0.000 0.000 0.235 423 R C 1.563 177.976 176.300 0.187 0.000 1.131 423 R CA 1.632 57.876 56.100 0.241 0.000 0.960 423 R CB -0.728 29.686 30.300 0.190 0.000 0.856 423 R HN 0.099 nan 8.270 nan 0.000 0.436 424 D N -0.139 120.347 120.400 0.144 0.000 2.182 424 D HA -0.146 4.494 4.640 0.000 0.000 0.201 424 D C 1.771 178.196 176.300 0.208 0.000 0.986 424 D CA 1.122 55.193 54.000 0.117 0.000 0.847 424 D CB -0.249 40.551 40.800 0.000 0.000 0.942 424 D HN 0.289 nan 8.370 nan 0.000 0.467 425 H N 0.311 119.461 119.070 0.132 0.000 2.518 425 H HA 0.070 4.626 4.556 0.000 0.000 0.289 425 H C 1.488 176.835 175.328 0.031 0.000 1.051 425 H CA 0.789 56.792 56.048 -0.074 0.000 1.280 425 H CB 0.324 29.923 29.762 -0.271 0.000 1.380 425 H HN 0.166 nan 8.280 nan 0.000 0.566 426 R N 0.726 121.357 120.500 0.218 0.000 2.317 426 R HA 0.070 4.410 4.340 0.000 0.000 0.208 426 R C 0.123 176.503 176.300 0.133 0.000 0.914 426 R CA -0.047 56.157 56.100 0.175 0.000 1.060 426 R CB 0.703 31.112 30.300 0.181 0.000 1.015 426 R HN 0.273 nan 8.270 nan 0.000 0.498 427 E N 0.708 120.986 120.200 0.130 0.000 2.331 427 E HA 0.080 4.430 4.350 0.000 0.000 0.272 427 E C 0.380 177.034 176.600 0.089 0.000 1.036 427 E CA -0.062 56.399 56.400 0.102 0.000 0.864 427 E CB 1.617 31.374 29.700 0.096 0.000 1.035 427 E HN -0.054 nan 8.360 nan 0.000 0.408 428 S N 2.392 118.134 115.700 0.070 0.000 2.400 428 S HA -0.178 4.292 4.470 0.000 0.000 0.232 428 S C 1.500 176.133 174.600 0.055 0.000 1.025 428 S CA 1.301 59.536 58.200 0.058 0.000 0.993 428 S CB -0.145 63.083 63.200 0.046 0.000 0.808 428 S HN 0.569 nan 8.310 nan 0.000 0.478 429 N N 1.569 120.304 118.700 0.058 0.000 2.550 429 N HA -0.051 4.689 4.740 0.000 0.000 0.186 429 N C 1.114 176.668 175.510 0.073 0.000 1.110 429 N CA 1.215 54.298 53.050 0.055 0.000 0.912 429 N CB -0.364 38.151 38.487 0.045 0.000 0.968 429 N HN 0.483 nan 8.380 nan 0.000 0.448 430 S N -0.669 115.085 115.700 0.091 0.000 2.540 430 S HA 0.315 4.785 4.470 0.000 0.000 0.218 430 S C 0.511 175.134 174.600 0.038 0.000 0.977 430 S CA -0.737 57.517 58.200 0.091 0.000 0.918 430 S CB -0.193 63.096 63.200 0.148 0.000 0.806 430 S HN 0.198 nan 8.310 nan 0.000 0.496 431 I N 2.946 123.545 120.570 0.048 0.000 2.330 431 I HA 0.424 4.594 4.170 0.000 0.000 0.289 431 I C -2.699 173.441 176.117 0.040 0.000 1.001 431 I CA -2.749 58.577 61.300 0.044 0.000 1.193 431 I CB 1.629 39.659 38.000 0.050 0.000 1.345 431 I HN -0.059 nan 8.210 nan 0.000 0.461 432 P HA -0.009 nan 4.420 nan 0.000 0.265 432 P C 0.049 177.363 177.300 0.023 0.000 1.187 432 P CA 0.050 63.175 63.100 0.043 0.000 0.766 432 P CB 0.671 32.409 31.700 0.063 0.000 0.820 433 D N 0.883 121.293 120.400 0.017 0.000 2.149 433 D HA -0.152 4.488 4.640 0.000 0.000 0.198 433 D C 1.855 178.143 176.300 -0.020 0.000 0.990 433 D CA 1.910 55.910 54.000 0.000 0.000 0.839 433 D CB -0.552 40.249 40.800 0.002 0.000 0.948 433 D HN 0.421 nan 8.370 nan 0.000 0.460 434 S N 0.461 116.154 115.700 -0.011 0.000 2.370 434 S HA -0.167 4.303 4.470 0.000 0.000 0.226 434 S C 1.991 176.541 174.600 -0.083 0.000 1.033 434 S CA 0.664 58.843 58.200 -0.035 0.000 1.011 434 S CB -0.564 62.637 63.200 0.002 0.000 0.852 434 S HN 0.198 nan 8.310 nan 0.000 0.457 435 L N 1.643 122.839 121.223 -0.045 0.000 2.109 435 L HA 0.067 4.407 4.340 0.000 0.000 0.207 435 L C 2.633 179.430 176.870 -0.122 0.000 1.086 435 L CA 1.584 56.380 54.840 -0.074 0.000 0.760 435 L CB -0.973 41.099 42.059 0.021 0.000 0.910 435 L HN 0.309 nan 8.230 nan 0.000 0.437 436 Q N 0.196 119.956 119.800 -0.067 0.000 2.096 436 Q HA -0.109 4.232 4.340 0.000 0.000 0.204 436 Q C 1.256 177.189 176.000 -0.112 0.000 0.982 436 Q CA 1.089 56.858 55.803 -0.058 0.000 0.850 436 Q CB -0.447 28.279 28.738 -0.020 0.000 0.901 436 Q HN 0.656 nan 8.270 nan 0.000 0.422 440 E N 0.810 120.984 120.200 -0.043 0.000 2.028 440 E HA -0.203 4.147 4.350 0.000 0.000 0.191 440 E C 1.831 178.505 176.600 0.123 0.000 0.988 440 E CA 1.615 58.054 56.400 0.064 0.000 0.799 440 E CB 0.123 29.848 29.700 0.041 0.000 0.755 440 E HN 0.221 nan 8.360 nan 0.000 0.447 441 L N 0.345 121.549 121.223 -0.033 0.000 2.046 441 L HA -0.158 4.182 4.340 0.000 0.000 0.208 441 L C 1.629 178.634 176.870 0.224 0.000 1.077 441 L CA 1.551 56.419 54.840 0.047 0.000 0.747 441 L CB -0.374 41.592 42.059 -0.154 0.000 0.896 441 L HN 0.271 nan 8.230 nan 0.000 0.432 442 W N 0.073 121.422 121.300 0.081 0.000 2.699 442 W HA 0.033 4.693 4.660 0.000 0.000 0.249 442 W C 2.494 179.154 176.519 0.235 0.000 1.280 442 W CA 0.294 57.684 57.345 0.075 0.000 1.345 442 W CB -0.835 28.535 29.460 -0.150 0.000 1.128 442 W HN 0.231 nan 8.180 nan 0.000 0.642 443 R N -0.831 119.871 120.500 0.338 0.000 2.152 443 R HA -0.177 4.163 4.340 0.000 0.000 0.232 443 R C 1.204 177.285 176.300 -0.366 0.000 1.117 443 R CA 1.464 57.502 56.100 -0.102 0.000 0.981 443 R CB -0.370 29.625 30.300 -0.507 0.000 0.870 443 R HN 0.232 nan 8.270 nan 0.000 0.451 444 Y N -0.892 119.525 120.300 0.195 0.000 2.430 444 Y HA 0.173 4.723 4.550 0.000 0.000 0.254 444 Y C 0.350 176.323 175.900 0.122 0.000 1.088 444 Y CA -0.444 57.728 58.100 0.120 0.000 1.267 444 Y CB 0.689 39.196 38.460 0.079 0.000 1.204 444 Y HN 0.003 nan 8.280 nan 0.000 0.515 445 Q N -0.695 119.281 119.800 0.292 0.000 2.482 445 Q HA 0.446 4.786 4.340 0.000 0.000 0.286 445 Q C -0.696 175.448 176.000 0.239 0.000 1.007 445 Q CA -1.060 54.874 55.803 0.219 0.000 0.801 445 Q CB 1.733 30.585 28.738 0.189 0.000 1.455 445 Q HN 0.091 nan 8.270 nan 0.000 0.398 446 T N -0.987 113.647 114.554 0.135 0.000 2.900 446 T HA 0.382 4.732 4.350 0.000 0.000 0.307 446 T C -2.223 172.443 174.700 -0.056 0.000 1.065 446 T CA -1.067 61.072 62.100 0.065 0.000 1.105 446 T CB 0.090 68.974 68.868 0.027 0.000 0.979 446 T HN 0.422 nan 8.240 nan 0.000 0.544 447 P HA 0.255 nan 4.420 nan 0.000 0.266 447 P C -0.418 176.798 177.300 -0.141 0.000 1.195 447 P CA -0.126 62.704 63.100 -0.450 0.000 0.768 447 P CB 0.550 31.693 31.700 -0.929 0.000 0.838 448 S N -0.287 115.393 115.700 -0.032 0.000 2.671 448 S HA 0.530 5.000 4.470 0.000 0.000 0.277 448 S C 1.286 175.870 174.600 -0.026 0.000 1.165 448 S CA -0.093 58.097 58.200 -0.018 0.000 0.822 448 S CB 0.603 63.816 63.200 0.021 0.000 1.150 448 S HN 0.289 nan 8.310 nan 0.000 0.479 449 Q N 0.110 119.897 119.800 -0.022 0.000 2.297 449 Q HA -0.092 4.248 4.340 0.000 0.000 0.208 449 Q C 1.854 177.829 176.000 -0.042 0.000 0.981 449 Q CA 2.052 57.832 55.803 -0.038 0.000 0.876 449 Q CB -1.184 27.541 28.738 -0.023 0.000 0.921 449 Q HN 0.710 nan 8.270 nan 0.000 0.446 450 Q N 0.436 120.227 119.800 -0.015 0.000 2.364 450 Q HA -0.106 4.234 4.340 0.000 0.000 0.207 450 Q C 0.783 176.771 176.000 -0.020 0.000 0.970 450 Q CA 1.231 57.028 55.803 -0.010 0.000 0.888 450 Q CB 0.164 28.909 28.738 0.012 0.000 0.951 450 Q HN 0.739 nan 8.270 nan 0.000 0.469 451 D N 0.040 120.426 120.400 -0.023 0.000 2.347 451 D HA 0.074 4.714 4.640 0.000 0.000 0.215 451 D C 0.341 176.584 176.300 -0.095 0.000 0.976 451 D CA 0.418 54.396 54.000 -0.036 0.000 0.884 451 D CB 0.486 41.293 40.800 0.012 0.000 0.915 451 D HN 0.236 nan 8.370 nan 0.000 0.526 452 I N 0.785 121.275 120.570 -0.134 0.000 2.389 452 I HA 0.040 4.210 4.170 0.000 0.000 0.288 452 I C 1.207 177.194 176.117 -0.216 0.000 0.999 452 I CA -0.316 60.837 61.300 -0.245 0.000 1.129 452 I CB 2.074 39.871 38.000 -0.339 0.000 1.288 452 I HN -0.238 nan 8.210 nan 0.000 0.444 453 S N 4.990 120.597 115.700 -0.155 0.000 2.503 453 S HA 0.070 4.540 4.470 0.000 0.000 0.217 453 S C 0.233 174.844 174.600 0.019 0.000 0.999 453 S CA 0.012 58.202 58.200 -0.016 0.000 0.914 453 S CB -0.113 63.139 63.200 0.087 0.000 0.782 453 S HN 0.580 nan 8.310 nan 0.000 0.520 454 Y N 0.396 120.696 120.300 0.001 0.000 2.587 454 Y HA 0.795 5.345 4.550 0.000 0.000 0.337 454 Y C -0.293 175.619 175.900 0.020 0.000 1.065 454 Y CA -1.852 56.250 58.100 0.004 0.000 1.126 454 Y CB 0.787 39.237 38.460 -0.017 0.000 1.279 454 Y HN -0.267 nan 8.280 nan 0.000 0.489 455 K N 0.830 121.342 120.400 0.186 0.000 2.202 455 K HA 0.146 4.466 4.320 0.000 0.000 0.264 455 K C -0.548 176.171 176.600 0.198 0.000 1.010 455 K CA -0.081 56.281 56.287 0.126 0.000 0.940 455 K CB 0.189 32.766 32.500 0.129 0.000 0.983 455 K HN 0.843 nan 8.250 nan 0.000 0.475 456 E N -0.623 119.656 120.200 0.131 0.000 2.320 456 E HA -0.249 4.101 4.350 0.000 0.000 0.234 456 E C -0.785 175.970 176.600 0.257 0.000 1.183 456 E CA 0.107 56.615 56.400 0.181 0.000 0.713 456 E CB -1.341 28.505 29.700 0.243 0.000 1.226 456 E HN 0.656 nan 8.360 nan 0.000 0.382 457 A N 0.474 123.382 122.820 0.147 0.000 2.483 457 A HA 0.183 4.503 4.320 0.000 0.000 0.238 457 A C 1.330 178.976 177.584 0.104 0.000 1.070 457 A CA 0.063 52.230 52.037 0.216 0.000 0.770 457 A CB 0.384 19.376 19.000 -0.014 0.000 1.008 457 A HN 0.407 nan 8.150 nan 0.000 0.497 458 L N 0.059 121.274 121.223 -0.012 0.000 2.027 458 L HA -0.043 4.297 4.340 0.000 0.000 0.206 458 L C -0.044 176.630 176.870 -0.327 0.000 1.074 458 L CA 1.140 55.814 54.840 -0.276 0.000 0.745 458 L CB -0.263 41.436 42.059 -0.599 0.000 0.898 458 L HN 0.678 nan 8.230 nan 0.000 0.433 459 F N 0.213 120.174 119.950 0.018 0.000 2.444 459 F HA 0.393 4.920 4.527 0.000 0.000 0.342 459 F C -1.888 173.885 175.800 -0.046 0.000 1.121 459 F CA -2.898 55.012 58.000 -0.149 0.000 0.997 459 F CB 0.535 39.278 39.000 -0.429 0.000 1.130 459 F HN -0.154 nan 8.300 nan 0.000 0.454 460 P HA 0.198 nan 4.420 nan 0.000 0.276 460 P C 0.232 177.595 177.300 0.107 0.000 1.261 460 P CA -0.261 62.870 63.100 0.053 0.000 0.800 460 P CB 1.084 32.780 31.700 -0.008 0.000 1.066 461 A N 1.297 124.141 122.820 0.039 0.000 1.948 461 A HA -0.204 4.116 4.320 0.000 0.000 0.220 461 A C 2.267 179.848 177.584 -0.005 0.000 1.177 461 A CA 2.549 54.594 52.037 0.012 0.000 0.636 461 A CB -1.800 17.162 19.000 -0.062 0.000 0.815 461 A HN 0.602 nan 8.150 nan 0.000 0.449 462 A N -0.717 122.079 122.820 -0.040 0.000 1.940 462 A HA -0.107 4.213 4.320 0.000 0.000 0.219 462 A C 2.427 179.946 177.584 -0.109 0.000 1.176 462 A CA 2.120 54.083 52.037 -0.123 0.000 0.631 462 A CB -0.852 18.088 19.000 -0.100 0.000 0.814 462 A HN 0.468 nan 8.150 nan 0.000 0.446 463 S N -0.917 114.760 115.700 -0.038 0.000 2.382 463 S HA -0.107 4.363 4.470 0.000 0.000 0.228 463 S C 1.554 175.877 174.600 -0.462 0.000 1.027 463 S CA 1.498 59.550 58.200 -0.247 0.000 0.991 463 S CB -0.512 62.380 63.200 -0.513 0.000 0.823 463 S HN 0.577 nan 8.310 nan 0.000 0.469 464 F N 1.918 121.618 119.950 -0.418 0.000 2.146 464 F HA -0.090 4.437 4.527 0.000 0.000 0.298 464 F C 2.635 178.086 175.800 -0.583 0.000 1.096 464 F CA 0.977 58.716 58.000 -0.435 0.000 1.275 464 F CB -0.625 38.068 39.000 -0.512 0.000 1.008 464 F HN 0.202 nan 8.300 nan 0.000 0.480 465 Q N -0.998 118.585 119.800 -0.361 0.000 2.084 465 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 465 Q C 2.069 177.843 176.000 -0.378 0.000 0.978 465 Q CA 1.797 57.307 55.803 -0.488 0.000 0.844 465 Q CB -0.500 27.975 28.738 -0.438 0.000 0.898 465 Q HN 0.415 nan 8.270 nan 0.000 0.426 466 Y N -0.101 120.150 120.300 -0.081 0.000 2.181 466 Y HA -0.212 4.338 4.550 0.000 0.000 0.288 466 Y C 2.287 178.040 175.900 -0.245 0.000 1.146 466 Y CA 0.805 58.926 58.100 0.036 0.000 1.164 466 Y CB -0.502 37.980 38.460 0.036 0.000 0.982 466 Y HN -0.080 nan 8.280 nan 0.000 0.515 467 V N -0.725 119.005 119.914 -0.307 0.000 2.283 467 V HA -0.239 3.881 4.120 0.000 0.000 0.243 467 V C 2.293 177.954 176.094 -0.722 0.000 1.039 467 V CA 1.374 63.297 62.300 -0.628 0.000 1.016 467 V CB -0.914 30.358 31.823 -0.917 0.000 0.650 467 V HN 0.281 nan 8.190 nan 0.000 0.449 468 L N -0.539 120.254 121.223 -0.717 0.000 1.990 468 L HA -0.212 4.128 4.340 0.000 0.000 0.213 468 L C 2.281 178.715 176.870 -0.726 0.000 1.072 468 L CA 2.328 56.656 54.840 -0.854 0.000 0.755 468 L CB -0.664 40.638 42.059 -1.262 0.000 0.889 468 L HN 0.396 nan 8.230 nan 0.000 0.432 469 Y N -0.574 119.514 120.300 -0.353 0.000 2.490 469 Y HA 0.300 4.850 4.550 0.000 0.000 0.285 469 Y C 1.841 177.619 175.900 -0.202 0.000 1.117 469 Y CA -0.186 57.791 58.100 -0.207 0.000 1.262 469 Y CB -1.348 36.890 38.460 -0.369 0.000 1.043 469 Y HN 0.163 nan 8.280 nan 0.000 0.553 473 F N 3.515 123.460 119.950 -0.009 0.000 2.529 473 F HA 0.423 4.950 4.527 0.000 0.000 0.365 473 F C 0.472 176.334 175.800 0.103 0.000 1.102 473 F CA 0.191 58.181 58.000 -0.017 0.000 1.271 473 F CB 0.384 39.286 39.000 -0.164 0.000 1.120 473 F HN 0.193 nan 8.300 nan 0.000 0.579 474 N N 3.166 121.651 118.700 -0.359 0.000 2.434 474 N HA 0.306 5.046 4.740 0.000 0.000 0.272 474 N C -1.444 173.976 175.510 -0.149 0.000 1.040 474 N CA -0.174 52.760 53.050 -0.193 0.000 0.956 474 N CB 1.000 39.333 38.487 -0.258 0.000 1.108 474 N HN 0.587 nan 8.380 nan 0.000 0.481 475 T N 2.426 117.027 114.554 0.078 0.000 2.824 475 T HA 0.190 4.540 4.350 0.000 0.000 0.282 475 T C -0.489 174.197 174.700 -0.024 0.000 0.993 475 T CA -0.493 61.672 62.100 0.108 0.000 0.967 475 T CB 1.216 70.258 68.868 0.291 0.000 0.960 475 T HN 0.529 nan 8.240 nan 0.000 0.441 476 Q N 3.106 122.879 119.800 -0.045 0.000 2.283 476 Q HA 0.137 4.477 4.340 0.000 0.000 0.301 476 Q C -0.484 175.500 176.000 -0.027 0.000 1.063 476 Q CA 0.012 55.800 55.803 -0.026 0.000 0.952 476 Q CB 0.305 29.080 28.738 0.061 0.000 1.166 476 Q HN 0.556 nan 8.270 nan 0.000 0.381 477 L N 6.448 127.631 121.223 -0.067 0.000 2.453 477 L HA 0.226 4.567 4.340 0.000 0.000 0.272 477 L C -1.779 175.053 176.870 -0.062 0.000 1.182 477 L CA -1.911 52.869 54.840 -0.101 0.000 0.858 477 L CB -0.040 41.936 42.059 -0.138 0.000 1.120 477 L HN 0.636 nan 8.230 nan 0.000 0.474 478 P HA 0.041 nan 4.420 nan 0.000 0.267 478 P C -0.294 176.978 177.300 -0.046 0.000 1.200 478 P CA -0.122 62.943 63.100 -0.058 0.000 0.772 478 P CB 0.525 32.150 31.700 -0.125 0.000 0.855 479 T N -1.634 112.929 114.554 0.015 0.000 2.948 479 T HA 0.384 4.734 4.350 0.000 0.000 0.285 479 T C -0.191 174.561 174.700 0.087 0.000 1.019 479 T CA -0.681 61.426 62.100 0.012 0.000 1.013 479 T CB 0.259 69.191 68.868 0.107 0.000 1.117 479 T HN 0.506 nan 8.240 nan 0.000 0.533 480 H N -1.839 117.226 119.070 -0.008 0.000 2.655 480 H HA -0.092 4.464 4.556 0.000 0.000 0.313 480 H C 0.013 175.350 175.328 0.015 0.000 1.141 480 H CA 0.437 56.487 56.048 0.005 0.000 1.138 480 H CB -2.428 27.338 29.762 0.005 0.000 1.446 480 H HN 0.542 nan 8.280 nan 0.000 0.415 481 V N 0.625 120.577 119.914 0.064 0.000 2.655 481 V HA -0.038 4.082 4.120 0.000 0.000 0.300 481 V C 1.163 177.327 176.094 0.117 0.000 1.044 481 V CA 0.012 62.362 62.300 0.083 0.000 1.095 481 V CB 0.936 32.794 31.823 0.058 0.000 0.952 481 V HN 0.333 nan 8.190 nan 0.000 0.485 482 K N 6.191 126.679 120.400 0.147 0.000 2.349 482 K HA 0.175 4.495 4.320 0.000 0.000 0.288 482 K C -1.575 175.096 176.600 0.118 0.000 1.058 482 K CA -1.225 55.133 56.287 0.120 0.000 0.953 482 K CB 0.832 33.397 32.500 0.109 0.000 0.997 482 K HN 0.418 nan 8.250 nan 0.000 0.477 483 P HA -0.232 nan 4.420 nan 0.000 0.216 483 P C 0.288 177.618 177.300 0.050 0.000 1.150 483 P CA 1.098 64.239 63.100 0.069 0.000 0.843 483 P CB 0.120 31.850 31.700 0.049 0.000 0.787 487 Q N 0.408 120.203 119.800 -0.009 0.000 2.079 487 Q HA -0.037 4.303 4.340 0.000 0.000 0.200 487 Q C 1.716 177.680 176.000 -0.061 0.000 0.974 487 Q CA 1.628 57.423 55.803 -0.014 0.000 0.840 487 Q CB -0.032 28.703 28.738 -0.005 0.000 0.898 487 Q HN 0.340 nan 8.270 nan 0.000 0.430 488 L N 0.871 122.025 121.223 -0.115 0.000 1.989 488 L HA -0.151 4.189 4.340 0.000 0.000 0.211 488 L C 2.168 178.901 176.870 -0.228 0.000 1.071 488 L CA 2.239 56.984 54.840 -0.157 0.000 0.749 488 L CB -1.080 40.869 42.059 -0.183 0.000 0.890 488 L HN 0.160 nan 8.230 nan 0.000 0.431 489 A N -0.998 121.607 122.820 -0.359 0.000 1.892 489 A HA -0.330 3.990 4.320 0.000 0.000 0.218 489 A C 2.292 179.691 177.584 -0.308 0.000 1.188 489 A CA 2.075 53.820 52.037 -0.487 0.000 0.631 489 A CB -0.843 17.818 19.000 -0.564 0.000 0.822 489 A HN 0.612 nan 8.150 nan 0.000 0.447 490 Q N -0.150 119.643 119.800 -0.012 0.000 2.084 490 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 490 Q C 2.163 178.212 176.000 0.082 0.000 0.978 490 Q CA 2.145 58.046 55.803 0.163 0.000 0.844 490 Q CB -0.354 28.457 28.738 0.123 0.000 0.898 490 Q HN 0.676 nan 8.270 nan 0.000 0.426 491 R N -0.546 119.953 120.500 -0.002 0.000 2.080 491 R HA -0.129 4.211 4.340 0.000 0.000 0.236 491 R C 2.203 178.503 176.300 0.000 0.000 1.137 491 R CA 1.695 57.793 56.100 -0.003 0.000 0.943 491 R CB -0.426 29.859 30.300 -0.025 0.000 0.846 491 R HN 0.380 nan 8.270 nan 0.000 0.431 492 L N -0.068 121.117 121.223 -0.064 0.000 2.046 492 L HA -0.177 4.164 4.340 0.000 0.000 0.208 492 L C 2.356 179.228 176.870 0.004 0.000 1.077 492 L CA 1.154 55.984 54.840 -0.016 0.000 0.747 492 L CB -0.496 41.485 42.059 -0.130 0.000 0.896 492 L HN 0.168 nan 8.230 nan 0.000 0.432 493 F N 0.506 120.478 119.950 0.036 0.000 2.102 493 F HA -0.206 4.321 4.527 0.000 0.000 0.298 493 F C 2.321 178.098 175.800 -0.037 0.000 1.105 493 F CA 1.475 59.479 58.000 0.006 0.000 1.239 493 F CB -1.100 37.910 39.000 0.016 0.000 0.991 493 F HN 0.155 nan 8.300 nan 0.000 0.474 494 N N -0.096 118.701 118.700 0.161 0.000 2.104 494 N HA -0.196 4.544 4.740 0.000 0.000 0.190 494 N C 1.310 176.821 175.510 0.003 0.000 1.024 494 N CA 1.309 54.397 53.050 0.063 0.000 0.853 494 N CB -0.220 38.296 38.487 0.047 0.000 1.008 494 N HN 0.190 nan 8.380 nan 0.000 0.424 495 D N 0.466 120.856 120.400 -0.018 0.000 2.144 495 D HA -0.136 4.504 4.640 0.000 0.000 0.199 495 D C 1.585 177.731 176.300 -0.257 0.000 0.984 495 D CA 0.925 54.879 54.000 -0.077 0.000 0.834 495 D CB -0.523 40.294 40.800 0.029 0.000 0.955 495 D HN 0.247 nan 8.370 nan 0.000 0.465 496 N N 0.596 119.070 118.700 -0.378 0.000 2.120 496 N HA -0.189 4.551 4.740 0.000 0.000 0.188 496 N C 1.685 177.095 175.510 -0.166 0.000 1.024 496 N CA 1.232 54.030 53.050 -0.421 0.000 0.852 496 N CB -0.024 38.312 38.487 -0.251 0.000 1.003 496 N HN 0.143 nan 8.380 nan 0.000 0.424 497 Q N -0.186 119.569 119.800 -0.075 0.000 2.084 497 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 497 Q C 1.965 177.938 176.000 -0.044 0.000 0.978 497 Q CA 1.578 57.358 55.803 -0.039 0.000 0.844 497 Q CB -0.035 28.697 28.738 -0.010 0.000 0.898 497 Q HN 0.563 nan 8.270 nan 0.000 0.426 498 Q N -0.310 119.460 119.800 -0.050 0.000 2.079 498 Q HA -0.169 4.171 4.340 0.000 0.000 0.200 498 Q C 2.123 178.099 176.000 -0.040 0.000 0.974 498 Q CA 1.369 57.151 55.803 -0.036 0.000 0.840 498 Q CB -0.136 28.585 28.738 -0.028 0.000 0.898 498 Q HN 0.253 nan 8.270 nan 0.000 0.430 499 R N 0.186 120.647 120.500 -0.065 0.000 2.081 499 R HA -0.126 4.214 4.340 0.000 0.000 0.235 499 R C 2.045 178.325 176.300 -0.033 0.000 1.131 499 R CA 1.812 57.884 56.100 -0.048 0.000 0.960 499 R CB -0.178 30.079 30.300 -0.072 0.000 0.856 499 R HN 0.172 nan 8.270 nan 0.000 0.436 500 T N 0.599 115.126 114.554 -0.045 0.000 2.684 500 T HA -0.243 4.107 4.350 0.000 0.000 0.267 500 T C 1.659 176.348 174.700 -0.019 0.000 1.036 500 T CA 1.780 63.863 62.100 -0.029 0.000 1.148 500 T CB -0.303 68.546 68.868 -0.032 0.000 0.863 500 T HN 0.320 nan 8.240 nan 0.000 0.436 501 Q N 1.114 120.902 119.800 -0.020 0.000 2.084 501 Q HA 0.005 4.345 4.340 0.000 0.000 0.202 501 Q C 2.309 178.303 176.000 -0.011 0.000 0.978 501 Q CA 1.800 57.595 55.803 -0.014 0.000 0.844 501 Q CB -0.622 28.108 28.738 -0.014 0.000 0.898 501 Q HN 0.512 nan 8.270 nan 0.000 0.426 502 A N 0.135 122.948 122.820 -0.011 0.000 1.877 502 A HA -0.125 4.195 4.320 0.000 0.000 0.216 502 A C 2.105 179.686 177.584 -0.005 0.000 1.186 502 A CA 1.440 53.473 52.037 -0.007 0.000 0.620 502 A CB -0.814 18.182 19.000 -0.006 0.000 0.822 502 A HN 0.459 nan 8.150 nan 0.000 0.443 503 L N 0.558 121.779 121.223 -0.004 0.000 2.131 503 L HA -0.171 4.169 4.340 0.000 0.000 0.210 503 L C 2.960 179.827 176.870 -0.004 0.000 1.092 503 L CA 1.482 56.321 54.840 -0.001 0.000 0.759 503 L CB -0.458 41.604 42.059 0.004 0.000 0.903 503 L HN 0.629 nan 8.230 nan 0.000 0.435 504 S N -0.326 115.370 115.700 -0.006 0.000 2.442 504 S HA -0.184 4.286 4.470 0.000 0.000 0.236 504 S C 1.803 176.400 174.600 -0.005 0.000 1.007 504 S CA 0.917 59.114 58.200 -0.006 0.000 0.965 504 S CB -0.211 62.985 63.200 -0.007 0.000 0.773 504 S HN 0.433 nan 8.310 nan 0.000 0.504 505 K N 0.554 120.951 120.400 -0.005 0.000 2.379 505 K HA 0.254 4.574 4.320 0.000 0.000 0.194 505 K C 1.182 177.779 176.600 -0.005 0.000 1.031 505 K CA 0.370 56.654 56.287 -0.005 0.000 1.037 505 K CB 0.056 32.553 32.500 -0.005 0.000 0.824 505 K HN 0.371 nan 8.250 nan 0.000 0.516 506 N N 0.024 118.721 118.700 -0.005 0.000 2.317 506 N HA 0.110 4.851 4.740 0.000 0.000 0.199 506 N C 0.115 175.622 175.510 -0.005 0.000 1.145 506 N CA 0.062 53.109 53.050 -0.005 0.000 0.882 506 N CB 0.891 39.375 38.487 -0.004 0.000 1.113 506 N HN 0.012 nan 8.380 nan 0.000 0.486 507 L N 3.245 124.464 121.223 -0.007 0.000 2.395 507 L HA 0.296 4.636 4.340 0.000 0.000 0.269 507 L C -1.900 174.966 176.870 -0.007 0.000 1.133 507 L CA -1.405 53.428 54.840 -0.011 0.000 0.812 507 L CB 0.657 42.705 42.059 -0.018 0.000 1.125 507 L HN -0.060 nan 8.230 nan 0.000 0.452 508 P HA 0.148 nan 4.420 nan 0.000 0.278 508 P C -0.618 176.686 177.300 0.007 0.000 1.258 508 P CA -0.526 62.576 63.100 0.004 0.000 0.811 508 P CB 0.721 32.429 31.700 0.013 0.000 1.063 509 T N -1.262 113.300 114.554 0.013 0.000 2.802 509 T HA 0.081 4.431 4.350 0.000 0.000 0.305 509 T C 1.390 176.118 174.700 0.047 0.000 1.053 509 T CA -0.363 61.749 62.100 0.021 0.000 1.058 509 T CB -0.106 68.769 68.868 0.011 0.000 0.988 509 T HN 0.265 nan 8.240 nan 0.000 0.539 510 N N 0.737 119.479 118.700 0.069 0.000 2.069 510 N HA -0.132 4.608 4.740 0.000 0.000 0.191 510 N C 2.004 177.579 175.510 0.108 0.000 1.031 510 N CA 1.279 54.410 53.050 0.135 0.000 0.852 510 N CB -0.406 38.172 38.487 0.152 0.000 1.018 510 N HN 0.647 nan 8.380 nan 0.000 0.423 511 R N 1.479 122.003 120.500 0.041 0.000 2.075 511 R HA -0.121 4.219 4.340 0.000 0.000 0.232 511 R C 2.218 178.529 176.300 0.020 0.000 1.126 511 R CA 1.482 57.588 56.100 0.010 0.000 0.963 511 R CB -0.063 30.210 30.300 -0.044 0.000 0.858 511 R HN 0.425 nan 8.270 nan 0.000 0.435 512 E N 0.342 120.554 120.200 0.020 0.000 2.110 512 E HA -0.236 4.114 4.350 0.000 0.000 0.193 512 E C 1.929 178.550 176.600 0.035 0.000 0.988 512 E CA 1.230 57.642 56.400 0.020 0.000 0.804 512 E CB -0.276 29.432 29.700 0.014 0.000 0.745 512 E HN 0.317 nan 8.360 nan 0.000 0.458 513 L N 1.080 122.340 121.223 0.061 0.000 2.027 513 L HA -0.056 4.284 4.340 0.000 0.000 0.206 513 L C 2.355 179.272 176.870 0.079 0.000 1.074 513 L CA 1.511 56.400 54.840 0.082 0.000 0.745 513 L CB -0.479 41.658 42.059 0.130 0.000 0.898 513 L HN 0.221 nan 8.230 nan 0.000 0.433 514 L N -0.458 120.835 121.223 0.116 0.000 2.131 514 L HA -0.215 4.125 4.340 0.000 0.000 0.210 514 L C 2.231 179.099 176.870 -0.004 0.000 1.092 514 L CA 1.158 56.034 54.840 0.061 0.000 0.759 514 L CB -0.854 41.233 42.059 0.047 0.000 0.903 514 L HN 0.302 nan 8.230 nan 0.000 0.435 515 D N 0.090 120.491 120.400 0.002 0.000 2.123 515 D HA -0.165 4.475 4.640 0.000 0.000 0.196 515 D C 2.205 178.495 176.300 -0.016 0.000 0.992 515 D CA 1.112 55.104 54.000 -0.014 0.000 0.833 515 D CB -0.043 40.755 40.800 -0.004 0.000 0.954 515 D HN 0.156 nan 8.370 nan 0.000 0.455 516 K N 0.446 120.853 120.400 0.011 0.000 2.155 516 K HA 0.018 4.338 4.320 0.000 0.000 0.203 516 K C 2.209 178.798 176.600 -0.020 0.000 1.052 516 K CA 0.128 56.453 56.287 0.065 0.000 0.948 516 K CB -0.355 32.199 32.500 0.090 0.000 0.728 516 K HN 0.103 nan 8.250 nan 0.000 0.448 517 V N 1.711 121.544 119.914 -0.135 0.000 2.407 517 V HA -0.224 3.896 4.120 0.000 0.000 0.248 517 V C 2.458 178.467 176.094 -0.142 0.000 1.055 517 V CA 1.916 64.064 62.300 -0.253 0.000 1.049 517 V CB -0.727 30.915 31.823 -0.302 0.000 0.662 517 V HN 0.255 nan 8.190 nan 0.000 0.455 518 A N -0.750 122.007 122.820 -0.104 0.000 1.902 518 A HA -0.299 4.021 4.320 0.000 0.000 0.217 518 A C 2.251 179.756 177.584 -0.132 0.000 1.181 518 A CA 2.201 54.178 52.037 -0.099 0.000 0.623 518 A CB -0.423 18.527 19.000 -0.084 0.000 0.818 518 A HN 0.608 nan 8.150 nan 0.000 0.443 519 Q N -2.890 116.803 119.800 -0.178 0.000 2.204 519 Q HA -0.052 4.288 4.340 0.000 0.000 0.198 519 Q C 1.341 177.043 176.000 -0.497 0.000 0.946 519 Q CA 1.308 56.887 55.803 -0.374 0.000 0.859 519 Q CB 0.033 28.474 28.738 -0.495 0.000 0.946 519 Q HN 0.736 nan 8.270 nan 0.000 0.474 520 Y N -1.418 118.839 120.300 -0.072 0.000 2.701 520 Y HA 0.402 4.952 4.550 0.000 0.000 0.275 520 Y C 0.749 176.603 175.900 -0.077 0.000 1.133 520 Y CA 0.437 58.499 58.100 -0.062 0.000 1.241 520 Y CB 0.969 39.394 38.460 -0.058 0.000 1.389 520 Y HN 0.169 nan 8.280 nan 0.000 0.486 521 G N 0.567 109.374 108.800 0.012 0.000 2.690 521 G HA2 -0.181 3.779 3.960 0.000 0.000 0.686 521 G HA3 -0.181 3.779 3.960 0.000 0.000 0.686 521 G C -0.857 173.984 174.900 -0.097 0.000 1.277 521 G CA -1.145 43.903 45.100 -0.088 0.000 0.799 521 G HN -0.005 nan 8.290 nan 0.000 0.613 522 F N 2.170 122.166 119.950 0.077 0.000 2.459 522 F HA 0.442 4.969 4.527 0.000 0.000 0.346 522 F C -0.565 175.257 175.800 0.037 0.000 1.128 522 F CA -1.153 56.878 58.000 0.052 0.000 1.268 522 F CB 0.335 39.364 39.000 0.049 0.000 1.161 522 F HN 0.381 nan 8.300 nan 0.000 0.583 523 P HA 0.157 nan 4.420 nan 0.000 0.272 523 P C 0.159 177.526 177.300 0.112 0.000 1.223 523 P CA -0.162 63.014 63.100 0.125 0.000 0.784 523 P CB 0.602 32.347 31.700 0.075 0.000 0.923 524 K N 1.015 121.466 120.400 0.085 0.000 2.097 524 K HA 0.119 4.439 4.320 0.000 0.000 0.205 524 K C 1.432 178.063 176.600 0.053 0.000 1.050 524 K CA 2.170 58.506 56.287 0.081 0.000 0.938 524 K CB -1.281 31.265 32.500 0.077 0.000 0.718 524 K HN 0.597 nan 8.250 nan 0.000 0.442 525 L N 0.000 121.234 121.223 0.018 0.000 2.949 525 L HA 0.000 4.340 4.340 0.000 0.000 0.249 525 L CA 0.000 54.821 54.840 -0.032 0.000 0.813 525 L CB 0.000 42.048 42.059 -0.019 0.000 0.961 525 L HN 0.000 nan 8.230 nan 0.000 0.502