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 3lsh_1_D DATA FIRST_RESID 45 DATA SEQUENCE IKYDVVIVGS GPIGCTYARE LVGAGYKVAM FDIGEIDSGL KIGAHKKNTV DATA SEQUENCE EYQKNIDKFV NVIQGQLMSV SVPVNTLVVD TLSPTSWQAS TFFVRNGSNP DATA SEQUENCE EQDPLRNLSG QAVTRVVGGM STHWACATPR FDREQRPLLV KDDADADDAE DATA SEQUENCE WDRLYTKAES YFQTGTDQFK ESIRHNLVLN KLTEEYKGQR DFQQIPLAAT DATA SEQUENCE RRSPTFVEWS SANTVFDLQN RPNTDAPEER FNLFPAVACE RVVRNALNSE DATA SEQUENCE IESLHIHDLI SGDRFEIKAD VYVLTAGAVH NTQLLVNSGF GQLGRPNPAN DATA SEQUENCE PPELLPSLGS YITEQSLVFC QTVMSTELID SVKSDMTIRG TPGELTYSVT DATA SEQUENCE YTPGASTNKH PDWWNEKVKN HMMQHQEDPL PIPFEDPEPQ VTTLFQPSHP DATA SEQUENCE WHTQIHRDAF SYGAVQQSID SRLIVDWRFF GRTEPKEENK LWFSDKITDA DATA SEQUENCE YNMPQPTFDF RFPAGRTSKE AEDMMTDMCV MSAKIGGFLP GSLPQFMEPG DATA SEQUENCE LVLHLGGTHR MGFDEKEDNC CVNTDSRVFG FKNLFLGGCG NIPTAYGANP DATA SEQUENCE TLTAMSLAIK SCEYIKQNFT PSPF 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 45 I HA 0.000 nan 4.170 nan 0.000 0.288 45 I C 0.000 176.018 176.117 -0.165 0.000 1.063 45 I CA 0.000 61.204 61.300 -0.160 0.000 1.566 45 I CB 0.000 37.929 38.000 -0.119 0.000 1.214 46 K N 1.486 121.681 120.400 -0.342 0.000 2.397 46 K HA 0.645 4.965 4.320 -0.000 0.000 0.253 46 K C -1.926 174.373 176.600 -0.502 0.000 0.932 46 K CA -0.333 55.806 56.287 -0.246 0.000 0.795 46 K CB 1.839 34.265 32.500 -0.123 0.000 1.159 46 K HN 0.057 nan 8.250 nan 0.000 0.424 47 Y N 1.416 121.697 120.300 -0.032 0.000 2.587 47 Y HA 0.229 4.779 4.550 -0.000 0.000 0.337 47 Y C 0.781 176.638 175.900 -0.072 0.000 1.065 47 Y CA -0.705 57.363 58.100 -0.053 0.000 1.126 47 Y CB 1.515 39.942 38.460 -0.056 0.000 1.279 47 Y HN 0.675 nan 8.280 nan 0.000 0.489 48 D N 0.137 120.596 120.400 0.099 0.000 2.123 48 D HA 0.006 4.646 4.640 -0.000 0.000 0.200 48 D C -0.350 175.927 176.300 -0.037 0.000 0.976 48 D CA 1.449 55.486 54.000 0.063 0.000 0.831 48 D CB 0.248 41.138 40.800 0.149 0.000 0.974 48 D HN 0.131 nan 8.370 nan 0.000 0.469 49 V N 0.554 120.436 119.914 -0.053 0.000 2.760 49 V HA 0.379 4.499 4.120 -0.000 0.000 0.309 49 V C -0.537 175.449 176.094 -0.179 0.000 1.077 49 V CA -1.022 61.160 62.300 -0.197 0.000 0.910 49 V CB 2.639 34.324 31.823 -0.231 0.000 1.008 49 V HN -0.030 nan 8.190 nan 0.000 0.424 50 V N 2.785 122.562 119.914 -0.228 0.000 2.604 50 V HA 0.748 4.868 4.120 -0.000 0.000 0.305 50 V C -0.715 175.325 176.094 -0.090 0.000 1.043 50 V CA -0.630 61.600 62.300 -0.117 0.000 0.888 50 V CB 1.862 33.703 31.823 0.030 0.000 0.995 50 V HN 0.684 nan 8.190 nan 0.000 0.429 51 I N 4.067 124.603 120.570 -0.056 0.000 2.436 51 I HA 0.499 4.669 4.170 -0.000 0.000 0.289 51 I C -0.656 175.486 176.117 0.041 0.000 1.010 51 I CA -0.986 60.270 61.300 -0.073 0.000 1.098 51 I CB 2.231 40.172 38.000 -0.097 0.000 1.266 51 I HN 0.428 nan 8.210 nan 0.000 0.434 52 V N 5.288 125.211 119.914 0.015 0.000 2.333 52 V HA 0.781 4.901 4.120 -0.000 0.000 0.274 52 V C 0.481 176.583 176.094 0.014 0.000 1.028 52 V CA -0.272 62.061 62.300 0.054 0.000 0.851 52 V CB 0.590 32.421 31.823 0.014 0.000 1.000 52 V HN 1.078 nan 8.190 nan 0.000 0.456 53 G N 3.948 112.770 108.800 0.037 0.000 3.069 53 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.686 53 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.686 53 G C -0.075 174.838 174.900 0.022 0.000 1.161 53 G CA -0.266 44.846 45.100 0.019 0.000 0.804 53 G HN 1.308 nan 8.290 nan 0.000 0.608 54 S N 1.116 116.829 115.700 0.023 0.000 2.562 54 S HA 0.611 5.081 4.470 -0.000 0.000 0.246 54 S C 1.291 175.897 174.600 0.010 0.000 1.056 54 S CA 0.671 58.891 58.200 0.033 0.000 1.042 54 S CB 0.625 63.853 63.200 0.047 0.000 0.822 54 S HN 1.924 nan 8.310 nan 0.000 0.465 55 G N 2.577 111.375 108.800 -0.005 0.000 2.631 55 G HA2 0.394 4.354 3.960 -0.000 0.000 0.271 55 G HA3 0.394 4.354 3.960 -0.000 0.000 0.271 55 G C -1.371 173.506 174.900 -0.038 0.000 1.302 55 G CA -1.270 43.809 45.100 -0.035 0.000 1.002 55 G HN 0.274 nan 8.290 nan 0.000 0.519 56 P HA -0.016 nan 4.420 nan 0.000 0.223 56 P C 1.780 179.026 177.300 -0.090 0.000 1.151 56 P CA 0.477 63.529 63.100 -0.081 0.000 0.787 56 P CB 0.186 31.862 31.700 -0.039 0.000 0.788 57 I N 0.336 120.889 120.570 -0.028 0.000 2.193 57 I HA -0.046 4.123 4.170 -0.000 0.000 0.240 57 I C 2.666 178.846 176.117 0.106 0.000 1.084 57 I CA 1.642 62.960 61.300 0.030 0.000 1.365 57 I CB -2.359 35.691 38.000 0.084 0.000 1.064 57 I HN 0.002 nan 8.210 nan 0.000 0.410 58 G N 0.501 109.347 108.800 0.078 0.000 2.505 58 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.220 58 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.220 58 G C 1.783 176.701 174.900 0.030 0.000 1.145 58 G CA 1.313 46.451 45.100 0.064 0.000 0.761 58 G HN 0.435 nan 8.290 nan 0.000 0.571 59 C N 0.454 119.742 119.300 -0.019 0.000 2.432 59 C HA 0.043 4.503 4.460 -0.000 0.000 0.280 59 C C 3.188 178.067 174.990 -0.185 0.000 1.353 59 C CA 1.341 60.310 59.018 -0.082 0.000 1.766 59 C CB -1.012 26.717 27.740 -0.018 0.000 1.924 59 C HN 0.477 nan 8.230 nan 0.000 0.509 60 T N 0.022 114.486 114.554 -0.151 0.000 2.708 60 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 60 T C 1.475 176.021 174.700 -0.257 0.000 1.037 60 T CA 1.631 63.600 62.100 -0.219 0.000 1.146 60 T CB -0.443 68.312 68.868 -0.188 0.000 0.865 60 T HN 0.548 nan 8.240 nan 0.000 0.435 61 Y N 1.461 121.630 120.300 -0.218 0.000 2.207 61 Y HA -0.075 4.475 4.550 -0.000 0.000 0.287 61 Y C 2.706 178.408 175.900 -0.329 0.000 1.156 61 Y CA 0.955 58.909 58.100 -0.242 0.000 1.182 61 Y CB -0.614 37.724 38.460 -0.204 0.000 0.979 61 Y HN 0.211 nan 8.280 nan 0.000 0.521 62 A N 0.003 122.660 122.820 -0.272 0.000 1.873 62 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 62 A C 2.302 179.343 177.584 -0.904 0.000 1.186 62 A CA 1.580 53.255 52.037 -0.602 0.000 0.616 62 A CB -0.680 17.811 19.000 -0.849 0.000 0.823 62 A HN 0.395 nan 8.150 nan 0.000 0.442 63 R N -0.356 119.634 120.500 -0.849 0.000 2.091 63 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 63 R C 1.960 178.037 176.300 -0.372 0.000 1.136 63 R CA 1.702 57.437 56.100 -0.608 0.000 0.959 63 R CB -0.231 29.793 30.300 -0.460 0.000 0.856 63 R HN 0.551 nan 8.270 nan 0.000 0.437 64 E N 0.568 120.580 120.200 -0.313 0.000 2.017 64 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 64 E C 2.145 178.663 176.600 -0.136 0.000 0.997 64 E CA 1.288 57.577 56.400 -0.185 0.000 0.804 64 E CB -0.195 29.392 29.700 -0.189 0.000 0.757 64 E HN 0.395 nan 8.360 nan 0.000 0.448 65 L N 0.432 121.549 121.223 -0.177 0.000 2.179 65 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 65 L C 2.507 179.390 176.870 0.022 0.000 1.096 65 L CA 0.224 54.996 54.840 -0.113 0.000 0.779 65 L CB -0.141 41.754 42.059 -0.274 0.000 0.922 65 L HN -0.050 nan 8.230 nan 0.000 0.443 66 V N 0.233 120.084 119.914 -0.105 0.000 2.379 66 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 66 V C 2.647 178.754 176.094 0.021 0.000 1.044 66 V CA 1.901 64.180 62.300 -0.035 0.000 1.036 66 V CB -1.090 30.641 31.823 -0.153 0.000 0.664 66 V HN 0.538 nan 8.190 nan 0.000 0.453 67 G N -0.119 108.670 108.800 -0.019 0.000 2.475 67 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 67 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 67 G C 1.268 176.196 174.900 0.046 0.000 1.125 67 G CA 0.939 46.049 45.100 0.017 0.000 0.755 67 G HN 0.662 nan 8.290 nan 0.000 0.565 68 A N -0.486 122.385 122.820 0.085 0.000 2.462 68 A HA 0.536 4.856 4.320 -0.000 0.000 0.261 68 A C 1.795 179.420 177.584 0.068 0.000 1.323 68 A CA 0.937 53.044 52.037 0.117 0.000 0.913 68 A CB -0.585 18.542 19.000 0.211 0.000 1.028 68 A HN 1.567 nan 8.150 nan 0.000 0.511 69 G N -1.744 107.080 108.800 0.040 0.000 2.199 69 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 69 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 69 G C 0.033 174.856 174.900 -0.127 0.000 0.982 69 G CA 0.278 45.340 45.100 -0.064 0.000 0.632 69 G HN 0.451 nan 8.290 nan 0.000 0.529 70 Y N 0.754 121.029 120.300 -0.042 0.000 2.346 70 Y HA 0.454 5.004 4.550 -0.000 0.000 0.330 70 Y C 1.046 176.908 175.900 -0.063 0.000 1.178 70 Y CA 0.064 58.133 58.100 -0.053 0.000 1.331 70 Y CB 0.792 39.218 38.460 -0.056 0.000 1.253 70 Y HN 0.120 nan 8.280 nan 0.000 0.529 71 K N 2.878 123.322 120.400 0.073 0.000 2.315 71 K HA 0.394 4.714 4.320 -0.000 0.000 0.291 71 K C -1.540 175.125 176.600 0.108 0.000 1.074 71 K CA -0.124 56.186 56.287 0.038 0.000 0.936 71 K CB -0.041 32.447 32.500 -0.020 0.000 1.049 71 K HN 0.493 nan 8.250 nan 0.000 0.471 72 V N 3.431 123.387 119.914 0.070 0.000 2.459 72 V HA 0.628 4.748 4.120 -0.000 0.000 0.295 72 V C -0.301 175.641 176.094 -0.253 0.000 1.029 72 V CA -0.893 61.392 62.300 -0.025 0.000 0.874 72 V CB 1.413 33.269 31.823 0.054 0.000 0.985 72 V HN 0.895 nan 8.190 nan 0.000 0.438 73 A N 5.654 128.186 122.820 -0.479 0.000 2.350 73 A HA 0.953 5.273 4.320 -0.000 0.000 0.324 73 A C -0.695 176.453 177.584 -0.727 0.000 1.118 73 A CA -0.650 50.862 52.037 -0.875 0.000 0.783 73 A CB 1.680 19.809 19.000 -1.452 0.000 1.236 73 A HN 0.921 nan 8.150 nan 0.000 0.457 74 M N 2.198 121.281 119.600 -0.862 0.000 2.326 74 M HA 0.753 5.233 4.480 -0.000 0.000 0.306 74 M C -2.205 173.730 176.300 -0.608 0.000 1.054 74 M CA -0.417 54.581 55.300 -0.504 0.000 0.922 74 M CB 1.183 33.674 32.600 -0.183 0.000 1.632 74 M HN 0.586 nan 8.290 nan 0.000 0.436 75 F N 2.317 122.243 119.950 -0.039 0.000 2.495 75 F HA 0.563 5.089 4.527 -0.000 0.000 0.327 75 F C -0.186 175.605 175.800 -0.016 0.000 1.103 75 F CA -0.592 57.411 58.000 0.006 0.000 0.949 75 F CB 1.481 40.475 39.000 -0.009 0.000 1.142 75 F HN 0.465 nan 8.300 nan 0.000 0.457 76 D N 2.566 123.055 120.400 0.149 0.000 2.738 76 D HA 0.253 4.892 4.640 -0.000 0.000 0.237 76 D C 0.340 176.657 176.300 0.028 0.000 1.123 76 D CA -0.365 53.673 54.000 0.063 0.000 0.856 76 D CB 2.587 43.406 40.800 0.031 0.000 1.552 76 D HN 0.673 nan 8.370 nan 0.000 0.480 77 I N 1.678 122.216 120.570 -0.053 0.000 2.928 77 I HA 0.120 4.290 4.170 -0.000 0.000 0.266 77 I C 0.969 177.032 176.117 -0.090 0.000 1.234 77 I CA 0.487 61.707 61.300 -0.134 0.000 1.483 77 I CB 0.164 37.971 38.000 -0.321 0.000 1.097 77 I HN 0.307 nan 8.210 nan 0.000 0.455 78 G N 0.062 108.836 108.800 -0.043 0.000 2.531 78 G HA2 0.438 4.398 3.960 -0.000 0.000 0.313 78 G HA3 0.438 4.398 3.960 -0.000 0.000 0.313 78 G C -0.916 173.997 174.900 0.022 0.000 1.238 78 G CA -0.440 44.658 45.100 -0.004 0.000 0.994 78 G HN 0.279 nan 8.290 nan 0.000 0.493 79 E N -1.352 118.869 120.200 0.034 0.000 2.299 79 E HA 0.391 4.741 4.350 -0.000 0.000 0.260 79 E C -0.511 176.110 176.600 0.035 0.000 0.944 79 E CA -0.754 55.669 56.400 0.038 0.000 0.815 79 E CB 2.452 32.179 29.700 0.045 0.000 1.252 79 E HN 0.261 nan 8.360 nan 0.000 0.418 80 I N 2.935 123.525 120.570 0.033 0.000 2.363 80 I HA 0.004 4.174 4.170 -0.000 0.000 0.292 80 I C 0.268 176.410 176.117 0.041 0.000 1.075 80 I CA 0.129 61.448 61.300 0.032 0.000 1.333 80 I CB 0.042 38.057 38.000 0.025 0.000 1.415 80 I HN 0.572 nan 8.210 nan 0.000 0.502 81 D N 2.509 122.939 120.400 0.049 0.000 3.013 81 D HA -0.033 4.607 4.640 -0.000 0.000 0.256 81 D C 1.194 177.538 176.300 0.073 0.000 1.573 81 D CA 0.019 54.056 54.000 0.061 0.000 1.197 81 D CB -0.486 40.353 40.800 0.066 0.000 1.041 81 D HN 0.273 nan 8.370 nan 0.000 0.304 82 S N 0.554 116.309 115.700 0.092 0.000 2.896 82 S HA -0.023 4.447 4.470 -0.000 0.000 0.436 82 S C 1.106 175.767 174.600 0.101 0.000 0.992 82 S CA 1.578 59.844 58.200 0.110 0.000 1.117 82 S CB -1.703 61.553 63.200 0.094 0.000 0.821 82 S HN 1.024 nan 8.310 nan 0.000 0.512 83 G N -0.479 108.372 108.800 0.084 0.000 2.681 83 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 83 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 83 G C 0.295 175.226 174.900 0.051 0.000 1.353 83 G CA -0.108 45.035 45.100 0.072 0.000 0.872 83 G HN 0.412 nan 8.290 nan 0.000 0.557 84 L N 0.050 121.297 121.223 0.041 0.000 2.341 84 L HA 0.135 4.475 4.340 -0.000 0.000 0.214 84 L C 1.491 178.369 176.870 0.013 0.000 1.115 84 L CA 0.818 55.671 54.840 0.022 0.000 0.820 84 L CB -0.262 41.805 42.059 0.014 0.000 0.944 84 L HN 0.353 nan 8.230 nan 0.000 0.452 85 K N 1.787 122.203 120.400 0.026 0.000 2.262 85 K HA 0.282 4.602 4.320 -0.000 0.000 0.288 85 K C -0.295 176.317 176.600 0.019 0.000 1.090 85 K CA -0.182 56.114 56.287 0.015 0.000 0.918 85 K CB 0.605 33.126 32.500 0.036 0.000 1.139 85 K HN 0.090 nan 8.250 nan 0.000 0.462 86 I N 2.202 122.768 120.570 -0.007 0.000 2.662 86 I HA -0.075 4.095 4.170 -0.000 0.000 0.285 86 I C 1.320 177.440 176.117 0.005 0.000 1.161 86 I CA 0.791 62.090 61.300 -0.002 0.000 1.415 86 I CB 0.228 38.215 38.000 -0.021 0.000 1.385 86 I HN 0.947 nan 8.210 nan 0.000 0.552 87 G N 4.284 113.098 108.800 0.023 0.000 2.147 87 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.244 87 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.244 87 G C 0.198 175.126 174.900 0.047 0.000 1.005 87 G CA 0.006 45.120 45.100 0.023 0.000 0.713 87 G HN 0.974 nan 8.290 nan 0.000 0.515 88 A N -0.512 122.352 122.820 0.074 0.000 2.252 88 A HA 0.689 5.009 4.320 -0.000 0.000 0.305 88 A C 0.470 178.153 177.584 0.165 0.000 1.097 88 A CA -0.469 51.647 52.037 0.132 0.000 0.849 88 A CB 0.440 19.524 19.000 0.139 0.000 1.142 88 A HN 0.613 nan 8.150 nan 0.000 0.499 89 H N 0.642 119.826 119.070 0.189 0.000 2.975 89 H HA 0.098 4.653 4.556 -0.000 0.000 0.303 89 H C 0.689 176.134 175.328 0.194 0.000 1.023 89 H CA 0.699 56.875 56.048 0.212 0.000 1.473 89 H CB 0.788 30.698 29.762 0.247 0.000 1.498 89 H HN 0.656 nan 8.280 nan 0.000 0.549 90 K N 3.574 124.175 120.400 0.335 0.000 2.442 90 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 90 K C 1.529 178.375 176.600 0.409 0.000 1.042 90 K CA 0.635 57.160 56.287 0.397 0.000 0.958 90 K CB 0.395 33.133 32.500 0.397 0.000 0.766 90 K HN 0.374 nan 8.250 nan 0.000 0.474 91 K N 0.848 121.412 120.400 0.274 0.000 2.487 91 K HA 0.022 4.342 4.320 -0.000 0.000 0.192 91 K C 0.239 176.843 176.600 0.006 0.000 1.027 91 K CA 0.247 56.338 56.287 -0.327 0.000 1.054 91 K CB 0.265 32.203 32.500 -0.936 0.000 0.824 91 K HN -0.003 nan 8.250 nan 0.000 0.510 92 N N 1.632 120.449 118.700 0.196 0.000 2.802 92 N HA -0.008 4.731 4.740 -0.000 0.000 0.288 92 N C -0.887 174.873 175.510 0.416 0.000 1.268 92 N CA 0.225 53.417 53.050 0.237 0.000 1.035 92 N CB 0.667 39.326 38.487 0.287 0.000 1.353 92 N HN 0.196 nan 8.380 nan 0.000 0.522 93 T N -4.541 110.246 114.554 0.389 0.000 2.908 93 T HA 0.343 4.693 4.350 -0.000 0.000 0.290 93 T C 1.361 176.299 174.700 0.397 0.000 1.034 93 T CA -0.741 61.575 62.100 0.361 0.000 1.010 93 T CB 1.546 70.576 68.868 0.270 0.000 1.068 93 T HN -0.187 nan 8.240 nan 0.000 0.481 94 V N 1.233 121.322 119.914 0.291 0.000 2.490 94 V HA -0.092 4.028 4.120 -0.000 0.000 0.250 94 V C 2.737 178.919 176.094 0.148 0.000 1.061 94 V CA 2.398 64.846 62.300 0.247 0.000 1.064 94 V CB -0.900 30.970 31.823 0.078 0.000 0.670 94 V HN 1.042 nan 8.190 nan 0.000 0.461 95 E N -0.561 119.672 120.200 0.054 0.000 2.112 95 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 95 E C 1.994 178.552 176.600 -0.070 0.000 0.979 95 E CA 1.328 57.694 56.400 -0.057 0.000 0.814 95 E CB -0.295 29.313 29.700 -0.153 0.000 0.762 95 E HN 0.643 nan 8.360 nan 0.000 0.460 96 Y N 0.876 121.243 120.300 0.111 0.000 2.263 96 Y HA -0.020 4.530 4.550 -0.000 0.000 0.292 96 Y C 2.180 178.098 175.900 0.030 0.000 1.130 96 Y CA 1.341 59.494 58.100 0.088 0.000 1.179 96 Y CB -0.209 38.316 38.460 0.108 0.000 0.998 96 Y HN 0.155 nan 8.280 nan 0.000 0.532 97 Q N -0.112 119.793 119.800 0.175 0.000 2.297 97 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 97 Q C 1.578 177.634 176.000 0.094 0.000 0.962 97 Q CA 0.849 56.705 55.803 0.089 0.000 0.879 97 Q CB -0.044 28.704 28.738 0.017 0.000 0.947 97 Q HN 0.453 nan 8.270 nan 0.000 0.462 98 K N 0.315 120.776 120.400 0.100 0.000 2.459 98 K HA 0.041 4.361 4.320 -0.000 0.000 0.193 98 K C 0.257 176.894 176.600 0.061 0.000 1.030 98 K CA 0.371 56.699 56.287 0.068 0.000 1.026 98 K CB 0.400 32.928 32.500 0.046 0.000 0.809 98 K HN 0.098 nan 8.250 nan 0.000 0.504 99 N N 0.764 119.521 118.700 0.094 0.000 2.646 99 N HA 0.053 4.793 4.740 -0.000 0.000 0.296 99 N C 0.156 175.762 175.510 0.161 0.000 1.886 99 N CA 0.019 53.134 53.050 0.108 0.000 0.855 99 N CB 0.807 39.355 38.487 0.101 0.000 1.336 99 N HN -0.022 nan 8.380 nan 0.000 0.496 100 I N 1.280 121.914 120.570 0.107 0.000 2.335 100 I HA -0.232 3.937 4.170 -0.000 0.000 0.251 100 I C 1.347 177.518 176.117 0.091 0.000 1.129 100 I CA 1.643 62.990 61.300 0.078 0.000 1.402 100 I CB 0.180 38.177 38.000 -0.006 0.000 1.069 100 I HN 0.099 nan 8.210 nan 0.000 0.424 101 D N 0.431 120.878 120.400 0.078 0.000 2.178 101 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 101 D C 1.990 178.345 176.300 0.092 0.000 0.980 101 D CA 0.852 54.890 54.000 0.063 0.000 0.842 101 D CB -0.272 40.559 40.800 0.052 0.000 0.948 101 D HN 0.239 nan 8.370 nan 0.000 0.472 102 K N 0.108 120.601 120.400 0.156 0.000 2.362 102 K HA -0.057 4.263 4.320 -0.000 0.000 0.200 102 K C 1.703 178.407 176.600 0.174 0.000 1.046 102 K CA 0.022 56.421 56.287 0.187 0.000 0.952 102 K CB -0.548 32.113 32.500 0.268 0.000 0.753 102 K HN 0.232 nan 8.250 nan 0.000 0.466 103 F N 1.123 121.047 119.950 -0.044 0.000 2.365 103 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 103 F C 1.816 177.483 175.800 -0.221 0.000 1.090 103 F CA 0.376 58.212 58.000 -0.273 0.000 1.408 103 F CB -0.011 38.791 39.000 -0.330 0.000 1.060 103 F HN -0.290 nan 8.300 nan 0.000 0.534 104 V N 0.635 120.493 119.914 -0.093 0.000 2.380 104 V HA -0.392 3.728 4.120 -0.000 0.000 0.251 104 V C 1.828 177.784 176.094 -0.231 0.000 1.063 104 V CA 2.544 64.748 62.300 -0.160 0.000 1.055 104 V CB -0.880 30.898 31.823 -0.076 0.000 0.657 104 V HN 0.409 nan 8.190 nan 0.000 0.455 105 N N -0.535 118.056 118.700 -0.182 0.000 2.270 105 N HA -0.111 4.629 4.740 -0.000 0.000 0.181 105 N C 1.650 177.011 175.510 -0.249 0.000 1.016 105 N CA 1.096 54.057 53.050 -0.149 0.000 0.870 105 N CB -0.145 38.309 38.487 -0.055 0.000 0.979 105 N HN 0.314 nan 8.380 nan 0.000 0.431 106 V N 1.341 120.996 119.914 -0.432 0.000 2.343 106 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 106 V C 1.996 177.740 176.094 -0.583 0.000 1.051 106 V CA 1.406 63.378 62.300 -0.547 0.000 1.036 106 V CB -0.474 30.753 31.823 -0.993 0.000 0.654 106 V HN 0.323 nan 8.190 nan 0.000 0.451 107 I N -0.301 119.847 120.570 -0.704 0.000 2.202 107 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 107 I C 2.680 178.557 176.117 -0.400 0.000 1.091 107 I CA 1.490 62.386 61.300 -0.673 0.000 1.368 107 I CB -0.439 37.246 38.000 -0.525 0.000 1.058 107 I HN 0.348 nan 8.210 nan 0.000 0.410 108 Q N 0.633 120.276 119.800 -0.261 0.000 2.135 108 Q HA -0.150 4.189 4.340 -0.000 0.000 0.204 108 Q C 2.337 178.264 176.000 -0.122 0.000 0.981 108 Q CA 1.619 57.337 55.803 -0.141 0.000 0.856 108 Q CB -0.453 28.229 28.738 -0.093 0.000 0.902 108 Q HN 0.641 nan 8.270 nan 0.000 0.425 109 G N 0.313 109.025 108.800 -0.146 0.000 2.448 109 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 109 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 109 G C 1.313 176.171 174.900 -0.069 0.000 1.135 109 G CA 0.286 45.332 45.100 -0.090 0.000 0.784 109 G HN 0.186 nan 8.290 nan 0.000 0.543 110 Q N -0.524 119.208 119.800 -0.113 0.000 2.282 110 Q HA 0.282 4.622 4.340 -0.000 0.000 0.206 110 Q C 0.313 176.315 176.000 0.003 0.000 0.878 110 Q CA -0.115 55.667 55.803 -0.034 0.000 0.944 110 Q CB 0.784 29.530 28.738 0.014 0.000 1.100 110 Q HN 0.373 nan 8.270 nan 0.000 0.509 111 L N 2.206 123.404 121.223 -0.042 0.000 2.278 111 L HA 0.261 4.601 4.340 -0.000 0.000 0.287 111 L C -0.279 176.618 176.870 0.045 0.000 1.072 111 L CA -0.128 54.726 54.840 0.024 0.000 0.819 111 L CB 0.525 42.586 42.059 0.003 0.000 1.176 111 L HN -0.093 nan 8.230 nan 0.000 0.435 112 M N 2.409 122.059 119.600 0.083 0.000 2.149 112 M HA 0.279 4.759 4.480 -0.000 0.000 0.342 112 M C 0.086 176.443 176.300 0.096 0.000 1.068 112 M CA -0.470 54.882 55.300 0.086 0.000 0.991 112 M CB 1.260 33.926 32.600 0.111 0.000 1.596 112 M HN 0.364 nan 8.290 nan 0.000 0.439 113 S N 1.804 117.546 115.700 0.071 0.000 2.558 113 S HA 0.158 4.628 4.470 -0.000 0.000 0.288 113 S C 1.596 176.248 174.600 0.086 0.000 1.318 113 S CA -0.487 57.754 58.200 0.068 0.000 1.056 113 S CB 0.822 64.047 63.200 0.042 0.000 0.853 113 S HN 0.533 nan 8.310 nan 0.000 0.505 114 V N 2.277 122.254 119.914 0.104 0.000 2.407 114 V HA 0.057 4.177 4.120 -0.000 0.000 0.245 114 V C 1.108 177.220 176.094 0.030 0.000 1.041 114 V CA 1.217 63.574 62.300 0.095 0.000 1.040 114 V CB 0.184 32.106 31.823 0.165 0.000 0.671 114 V HN 0.778 nan 8.190 nan 0.000 0.455 115 S N -0.208 115.525 115.700 0.055 0.000 2.737 115 S HA 0.502 4.972 4.470 -0.000 0.000 0.269 115 S C -1.117 173.491 174.600 0.013 0.000 1.150 115 S CA -0.451 57.744 58.200 -0.010 0.000 1.077 115 S CB 1.354 64.515 63.200 -0.064 0.000 1.075 115 S HN 0.006 nan 8.310 nan 0.000 0.476 116 V N 7.619 127.528 119.914 -0.008 0.000 2.370 116 V HA 0.555 4.675 4.120 -0.000 0.000 0.283 116 V C -1.980 174.098 176.094 -0.026 0.000 1.023 116 V CA -1.821 60.472 62.300 -0.012 0.000 0.857 116 V CB 1.340 33.157 31.823 -0.010 0.000 0.985 116 V HN 0.679 nan 8.190 nan 0.000 0.443 117 P HA 0.180 nan 4.420 nan 0.000 0.274 117 P C -0.178 177.098 177.300 -0.040 0.000 1.246 117 P CA -0.220 62.860 63.100 -0.033 0.000 0.795 117 P CB 0.819 32.498 31.700 -0.034 0.000 1.006 118 V N 2.395 122.289 119.914 -0.034 0.000 2.617 118 V HA -0.063 4.057 4.120 -0.000 0.000 0.304 118 V C 1.313 177.360 176.094 -0.080 0.000 1.040 118 V CA 0.282 62.559 62.300 -0.038 0.000 1.149 118 V CB -0.828 30.996 31.823 0.001 0.000 0.914 118 V HN 0.617 nan 8.190 nan 0.000 0.487 119 N N 3.761 122.406 118.700 -0.091 0.000 2.497 119 N HA 0.085 4.825 4.740 -0.000 0.000 0.271 119 N C 0.615 175.968 175.510 -0.262 0.000 1.142 119 N CA 0.441 53.413 53.050 -0.131 0.000 0.965 119 N CB 1.529 39.965 38.487 -0.085 0.000 1.077 119 N HN 0.865 nan 8.380 nan 0.000 0.462 120 T N 0.789 115.077 114.554 -0.443 0.000 3.252 120 T HA 0.267 4.617 4.350 -0.000 0.000 0.286 120 T C 0.792 175.079 174.700 -0.689 0.000 1.013 120 T CA -0.451 61.001 62.100 -1.080 0.000 0.914 120 T CB -0.415 67.819 68.868 -1.057 0.000 1.131 120 T HN 0.285 nan 8.240 nan 0.000 0.529 121 L N 2.025 123.092 121.223 -0.260 0.000 2.453 121 L HA 0.337 4.677 4.340 -0.000 0.000 0.272 121 L C 0.096 177.017 176.870 0.085 0.000 1.182 121 L CA -0.631 54.164 54.840 -0.074 0.000 0.858 121 L CB 0.758 42.800 42.059 -0.028 0.000 1.120 121 L HN 0.079 nan 8.230 nan 0.000 0.474 122 V N 4.704 124.683 119.914 0.109 0.000 2.406 122 V HA 0.186 4.306 4.120 -0.000 0.000 0.272 122 V C 0.171 176.331 176.094 0.110 0.000 1.043 122 V CA -0.469 61.941 62.300 0.184 0.000 0.915 122 V CB 1.555 33.469 31.823 0.152 0.000 0.988 122 V HN 0.414 nan 8.190 nan 0.000 0.466 123 V N 5.344 125.324 119.914 0.111 0.000 2.293 123 V HA 0.325 4.445 4.120 -0.000 0.000 0.275 123 V C 0.131 176.258 176.094 0.055 0.000 1.021 123 V CA -0.460 61.883 62.300 0.073 0.000 0.815 123 V CB 1.307 33.175 31.823 0.076 0.000 1.025 123 V HN 1.070 nan 8.190 nan 0.000 0.448 124 D N 1.918 122.343 120.400 0.041 0.000 2.462 124 D HA 0.007 4.647 4.640 -0.000 0.000 0.221 124 D C 1.218 177.529 176.300 0.018 0.000 1.173 124 D CA 0.243 54.258 54.000 0.024 0.000 0.831 124 D CB 0.402 41.215 40.800 0.022 0.000 1.001 124 D HN 0.548 nan 8.370 nan 0.000 0.499 125 T N -2.015 112.553 114.554 0.024 0.000 3.215 125 T HA 0.306 4.656 4.350 -0.000 0.000 0.271 125 T C 0.701 175.415 174.700 0.024 0.000 1.012 125 T CA -0.563 61.549 62.100 0.021 0.000 0.899 125 T CB -0.287 68.593 68.868 0.021 0.000 1.089 125 T HN 0.028 nan 8.240 nan 0.000 0.552 126 L N 2.158 123.397 121.223 0.027 0.000 2.483 126 L HA 0.242 4.582 4.340 -0.000 0.000 0.275 126 L C 1.191 178.075 176.870 0.023 0.000 1.220 126 L CA -0.424 54.436 54.840 0.033 0.000 0.833 126 L CB 0.393 42.475 42.059 0.039 0.000 1.102 126 L HN 0.294 nan 8.230 nan 0.000 0.490 127 S N 2.250 117.966 115.700 0.026 0.000 2.558 127 S HA 0.050 4.520 4.470 -0.000 0.000 0.288 127 S C -1.426 173.182 174.600 0.013 0.000 1.318 127 S CA -0.953 57.259 58.200 0.020 0.000 1.056 127 S CB 0.757 63.972 63.200 0.025 0.000 0.853 127 S HN 0.398 nan 8.310 nan 0.000 0.505 128 P HA -0.072 nan 4.420 nan 0.000 0.221 128 P C 1.306 178.604 177.300 -0.004 0.000 1.145 128 P CA 1.366 64.461 63.100 -0.008 0.000 0.795 128 P CB -0.136 31.559 31.700 -0.008 0.000 0.775 129 T N -5.875 108.686 114.554 0.012 0.000 3.067 129 T HA 0.117 4.466 4.350 -0.000 0.000 0.257 129 T C 1.028 175.755 174.700 0.046 0.000 1.105 129 T CA -0.007 62.107 62.100 0.023 0.000 1.104 129 T CB -0.567 68.317 68.868 0.027 0.000 0.925 129 T HN -0.117 nan 8.240 nan 0.000 0.498 130 S N 1.407 117.139 115.700 0.053 0.000 2.572 130 S HA 0.251 4.721 4.470 -0.000 0.000 0.279 130 S C -0.483 174.193 174.600 0.127 0.000 1.341 130 S CA -0.947 57.313 58.200 0.100 0.000 1.043 130 S CB 0.093 63.351 63.200 0.096 0.000 0.887 130 S HN 0.593 nan 8.310 nan 0.000 0.516 131 W N 2.911 124.220 121.300 0.015 0.000 2.264 131 W HA 0.198 4.858 4.660 -0.000 0.000 0.331 131 W C 0.286 176.822 176.519 0.028 0.000 1.364 131 W CA 0.267 57.621 57.345 0.015 0.000 1.253 131 W CB 0.236 29.705 29.460 0.015 0.000 1.215 131 W HN 0.546 nan 8.180 nan 0.000 0.561 132 Q N 5.107 124.598 119.800 -0.516 0.000 2.323 132 Q HA 0.590 4.930 4.340 -0.000 0.000 0.271 132 Q C -0.719 174.795 176.000 -0.810 0.000 1.048 132 Q CA -0.884 54.686 55.803 -0.388 0.000 0.792 132 Q CB 1.722 30.308 28.738 -0.254 0.000 1.280 132 Q HN 0.612 nan 8.270 nan 0.000 0.441 133 A N 2.399 125.011 122.820 -0.347 0.000 2.462 133 A HA 0.222 4.542 4.320 -0.000 0.000 0.243 133 A C 0.506 177.945 177.584 -0.242 0.000 1.076 133 A CA 0.076 52.005 52.037 -0.181 0.000 0.773 133 A CB 0.614 19.782 19.000 0.279 0.000 1.010 133 A HN 0.892 nan 8.150 nan 0.000 0.493 134 S N -0.377 115.201 115.700 -0.203 0.000 2.503 134 S HA 0.119 4.588 4.470 -0.000 0.000 0.217 134 S C 0.834 175.335 174.600 -0.165 0.000 0.999 134 S CA 0.940 59.035 58.200 -0.176 0.000 0.914 134 S CB -0.106 63.008 63.200 -0.143 0.000 0.782 134 S HN 1.126 nan 8.310 nan 0.000 0.520 135 T N -1.448 113.045 114.554 -0.103 0.000 2.816 135 T HA 0.613 4.963 4.350 -0.000 0.000 0.299 135 T C -1.059 173.586 174.700 -0.091 0.000 1.230 135 T CA -0.742 61.286 62.100 -0.119 0.000 1.007 135 T CB 0.672 69.575 68.868 0.058 0.000 1.289 135 T HN -0.100 nan 8.240 nan 0.000 0.508 136 F N 3.013 123.047 119.950 0.140 0.000 2.605 136 F HA 0.411 4.938 4.527 -0.000 0.000 0.352 136 F C 0.413 176.264 175.800 0.084 0.000 1.236 136 F CA -1.845 56.191 58.000 0.061 0.000 1.267 136 F CB -0.899 38.110 39.000 0.014 0.000 1.632 136 F HN 0.569 nan 8.300 nan 0.000 0.639 137 F N -0.629 119.423 119.950 0.170 0.000 2.399 137 F HA 0.588 5.115 4.527 -0.000 0.000 0.313 137 F C -0.061 175.811 175.800 0.120 0.000 1.202 137 F CA -1.641 56.436 58.000 0.130 0.000 1.192 137 F CB -0.107 38.959 39.000 0.111 0.000 1.256 137 F HN -0.156 nan 8.300 nan 0.000 0.558 138 V N 3.027 123.063 119.914 0.202 0.000 2.425 138 V HA 0.231 4.351 4.120 -0.000 0.000 0.276 138 V C 0.133 176.244 176.094 0.028 0.000 1.017 138 V CA 0.064 62.410 62.300 0.076 0.000 1.062 138 V CB -0.672 31.227 31.823 0.127 0.000 0.997 138 V HN 0.712 nan 8.190 nan 0.000 0.476 139 R N 3.923 124.338 120.500 -0.142 0.000 2.807 139 R HA 0.485 4.825 4.340 -0.000 0.000 0.276 139 R C 0.250 176.517 176.300 -0.055 0.000 0.979 139 R CA -0.926 55.088 56.100 -0.143 0.000 0.928 139 R CB 1.155 31.257 30.300 -0.330 0.000 1.191 139 R HN 0.707 nan 8.270 nan 0.000 0.471 140 N N 0.906 119.595 118.700 -0.018 0.000 2.716 140 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 140 N C 0.479 175.984 175.510 -0.010 0.000 1.033 140 N CA 1.539 54.581 53.050 -0.013 0.000 0.727 140 N CB -1.148 37.326 38.487 -0.022 0.000 0.950 140 N HN 1.086 nan 8.380 nan 0.000 0.541 141 G N -2.053 106.746 108.800 -0.002 0.000 2.179 141 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 141 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 141 G C 0.258 175.157 174.900 -0.001 0.000 0.977 141 G CA 0.744 45.845 45.100 0.002 0.000 0.641 141 G HN 1.252 nan 8.290 nan 0.000 0.533 142 S N -0.510 115.185 115.700 -0.010 0.000 2.603 142 S HA 0.549 5.019 4.470 -0.000 0.000 0.268 142 S C 0.054 174.648 174.600 -0.011 0.000 1.317 142 S CA -0.112 58.078 58.200 -0.016 0.000 1.012 142 S CB 1.868 65.050 63.200 -0.029 0.000 0.926 142 S HN 0.517 nan 8.310 nan 0.000 0.539 143 N N 2.072 120.758 118.700 -0.024 0.000 2.589 143 N HA 0.355 5.095 4.740 -0.000 0.000 0.232 143 N C -1.738 173.758 175.510 -0.024 0.000 1.015 143 N CA -2.511 50.517 53.050 -0.037 0.000 0.931 143 N CB 1.086 39.523 38.487 -0.083 0.000 1.150 143 N HN 0.380 nan 8.380 nan 0.000 0.512 144 P HA -0.054 nan 4.420 nan 0.000 0.234 144 P C 0.234 177.555 177.300 0.036 0.000 1.167 144 P CA 0.833 63.950 63.100 0.030 0.000 0.763 144 P CB 0.560 32.294 31.700 0.057 0.000 0.835 145 E N -0.313 119.894 120.200 0.012 0.000 2.358 145 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 145 E C 0.864 177.467 176.600 0.006 0.000 1.010 145 E CA 0.477 56.905 56.400 0.046 0.000 0.856 145 E CB -0.062 29.622 29.700 -0.026 0.000 0.795 145 E HN 0.289 nan 8.360 nan 0.000 0.504 146 Q N 2.320 122.089 119.800 -0.051 0.000 2.307 146 Q HA 0.033 4.373 4.340 -0.000 0.000 0.259 146 Q C -0.833 175.170 176.000 0.005 0.000 0.998 146 Q CA -0.224 55.545 55.803 -0.057 0.000 0.923 146 Q CB 0.761 29.454 28.738 -0.075 0.000 1.196 146 Q HN -0.191 nan 8.270 nan 0.000 0.416 147 D N 6.093 126.516 120.400 0.038 0.000 2.382 147 D HA 0.028 4.668 4.640 -0.000 0.000 0.259 147 D C -1.659 174.652 176.300 0.018 0.000 1.224 147 D CA -1.754 52.268 54.000 0.037 0.000 0.894 147 D CB 1.230 42.066 40.800 0.059 0.000 1.127 147 D HN 0.427 nan 8.370 nan 0.000 0.487 148 P HA -0.101 nan 4.420 nan 0.000 0.222 148 P C 1.239 178.535 177.300 -0.006 0.000 1.147 148 P CA 0.808 63.901 63.100 -0.011 0.000 0.790 148 P CB 0.286 31.969 31.700 -0.029 0.000 0.780 149 L N -1.183 120.040 121.223 0.001 0.000 2.607 149 L HA 0.193 4.533 4.340 -0.000 0.000 0.228 149 L C 1.265 178.141 176.870 0.011 0.000 1.123 149 L CA 0.173 55.013 54.840 0.001 0.000 0.890 149 L CB -0.156 41.901 42.059 -0.003 0.000 1.103 149 L HN -0.138 nan 8.230 nan 0.000 0.468 150 R N -0.274 120.242 120.500 0.027 0.000 2.772 150 R HA 0.236 4.576 4.340 -0.000 0.000 0.358 150 R C -0.443 175.906 176.300 0.080 0.000 1.143 150 R CA -0.299 55.829 56.100 0.048 0.000 1.153 150 R CB 0.214 30.544 30.300 0.051 0.000 1.329 150 R HN 0.013 nan 8.270 nan 0.000 0.615 151 N N 0.673 119.395 118.700 0.037 0.000 2.459 151 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 151 N C -0.622 174.784 175.510 -0.174 0.000 1.186 151 N CA -0.718 52.334 53.050 0.002 0.000 0.917 151 N CB 1.262 39.750 38.487 0.002 0.000 1.219 151 N HN 0.124 nan 8.380 nan 0.000 0.525 152 L N 2.128 123.098 121.223 -0.421 0.000 2.589 152 L HA 0.196 4.536 4.340 -0.000 0.000 0.244 152 L C 1.404 178.074 176.870 -0.333 0.000 1.159 152 L CA -0.234 54.228 54.840 -0.629 0.000 1.074 152 L CB 0.236 41.501 42.059 -1.323 0.000 1.391 152 L HN 0.645 nan 8.230 nan 0.000 0.423 153 S N -0.585 115.014 115.700 -0.167 0.000 2.442 153 S HA -0.113 4.357 4.470 -0.000 0.000 0.236 153 S C 1.727 176.283 174.600 -0.074 0.000 1.007 153 S CA 1.025 59.178 58.200 -0.079 0.000 0.965 153 S CB -0.111 63.056 63.200 -0.055 0.000 0.773 153 S HN 0.612 nan 8.310 nan 0.000 0.504 154 G N 0.321 109.055 108.800 -0.110 0.000 2.880 154 G HA2 0.119 4.078 3.960 -0.000 0.000 0.209 154 G HA3 0.119 4.078 3.960 -0.000 0.000 0.209 154 G C 0.505 175.366 174.900 -0.066 0.000 1.157 154 G CA -0.353 44.699 45.100 -0.080 0.000 0.779 154 G HN 0.365 nan 8.290 nan 0.000 0.539 155 Q N 0.601 120.334 119.800 -0.112 0.000 2.330 155 Q HA 0.484 4.824 4.340 -0.000 0.000 0.279 155 Q C -0.051 175.979 176.000 0.049 0.000 1.024 155 Q CA 0.341 56.113 55.803 -0.051 0.000 0.900 155 Q CB 1.367 30.035 28.738 -0.116 0.000 1.221 155 Q HN 0.302 nan 8.270 nan 0.000 0.396 156 A N 1.948 124.818 122.820 0.083 0.000 2.609 156 A HA 0.767 5.087 4.320 -0.000 0.000 0.291 156 A C -1.016 176.654 177.584 0.144 0.000 1.096 156 A CA -0.506 51.597 52.037 0.109 0.000 0.684 156 A CB 1.349 20.403 19.000 0.090 0.000 1.282 156 A HN 0.472 nan 8.150 nan 0.000 0.412 157 V N -2.497 117.517 119.914 0.167 0.000 3.102 157 V HA 0.942 5.062 4.120 -0.000 0.000 0.312 157 V C -0.438 175.761 176.094 0.176 0.000 1.135 157 V CA -0.598 61.821 62.300 0.197 0.000 1.022 157 V CB 1.594 33.589 31.823 0.286 0.000 1.056 157 V HN 0.891 nan 8.190 nan 0.000 0.436 158 T N 1.984 116.637 114.554 0.166 0.000 2.809 158 T HA 0.542 4.892 4.350 -0.000 0.000 0.284 158 T C -0.292 174.462 174.700 0.090 0.000 0.992 158 T CA -0.433 61.758 62.100 0.153 0.000 0.957 158 T CB 1.058 70.050 68.868 0.207 0.000 0.942 158 T HN 0.734 nan 8.240 nan 0.000 0.439 159 R N 2.819 123.362 120.500 0.071 0.000 2.575 159 R HA 0.560 4.900 4.340 -0.000 0.000 0.281 159 R C -0.532 175.785 176.300 0.028 0.000 1.272 159 R CA -0.492 55.619 56.100 0.019 0.000 1.417 159 R CB 0.473 30.772 30.300 -0.001 0.000 1.121 159 R HN 0.497 nan 8.270 nan 0.000 0.583 160 V N -2.019 117.906 119.914 0.019 0.000 3.178 160 V HA 0.441 4.561 4.120 -0.000 0.000 0.302 160 V C -0.012 176.085 176.094 0.005 0.000 1.262 160 V CA -1.164 61.150 62.300 0.022 0.000 1.030 160 V CB 1.938 33.782 31.823 0.036 0.000 1.074 160 V HN 0.074 nan 8.190 nan 0.000 0.438 161 V N 3.043 122.965 119.914 0.012 0.000 2.557 161 V HA 0.482 4.602 4.120 -0.000 0.000 0.301 161 V C 1.737 177.828 176.094 -0.005 0.000 1.026 161 V CA 1.910 64.217 62.300 0.011 0.000 1.137 161 V CB -0.062 31.773 31.823 0.021 0.000 0.917 161 V HN 2.116 nan 8.190 nan 0.000 0.484 162 G N 3.162 111.953 108.800 -0.014 0.000 2.194 162 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.236 162 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.236 162 G C 0.996 175.836 174.900 -0.100 0.000 0.987 162 G CA 0.286 45.359 45.100 -0.044 0.000 0.635 162 G HN 2.094 nan 8.290 nan 0.000 0.520 163 G N 0.211 108.962 108.800 -0.081 0.000 2.614 163 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.303 163 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.303 163 G C 1.187 175.961 174.900 -0.210 0.000 1.270 163 G CA 1.350 46.394 45.100 -0.093 0.000 0.988 163 G HN 1.107 nan 8.290 nan 0.000 0.551 164 M N 1.720 121.196 119.600 -0.207 0.000 2.630 164 M HA 0.027 4.507 4.480 -0.000 0.000 0.254 164 M C 2.626 178.654 176.300 -0.454 0.000 1.092 164 M CA 1.572 56.681 55.300 -0.318 0.000 1.087 164 M CB -0.115 32.450 32.600 -0.057 0.000 1.453 164 M HN 0.656 nan 8.290 nan 0.000 0.509 165 S N -0.883 114.531 115.700 -0.476 0.000 2.561 165 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 165 S C 1.703 176.120 174.600 -0.306 0.000 0.977 165 S CA 1.017 58.825 58.200 -0.653 0.000 0.926 165 S CB -0.897 61.962 63.200 -0.570 0.000 0.769 165 S HN 0.556 nan 8.310 nan 0.000 0.533 166 T N -0.211 114.118 114.554 -0.374 0.000 3.055 166 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 166 T C 1.271 175.696 174.700 -0.457 0.000 1.111 166 T CA 0.958 62.855 62.100 -0.339 0.000 1.118 166 T CB -0.698 68.067 68.868 -0.172 0.000 0.909 166 T HN 0.905 nan 8.240 nan 0.000 0.501 167 H N -1.989 116.998 119.070 -0.140 0.000 3.480 167 H HA 0.217 4.773 4.556 -0.000 0.000 0.257 167 H C 0.492 175.985 175.328 0.276 0.000 1.196 167 H CA -1.192 54.902 56.048 0.077 0.000 1.100 167 H CB -0.628 29.207 29.762 0.121 0.000 1.683 167 H HN 0.494 nan 8.280 nan 0.000 0.702 168 W N 1.950 123.268 121.300 0.031 0.000 1.902 168 W HA 0.537 5.197 4.660 -0.000 0.000 0.360 168 W C 0.139 176.686 176.519 0.047 0.000 1.414 168 W CA -0.165 57.236 57.345 0.094 0.000 1.457 168 W CB -0.000 29.497 29.460 0.062 0.000 1.279 168 W HN 0.001 nan 8.180 nan 0.000 0.665 169 A N 0.248 122.937 122.820 -0.220 0.000 2.430 169 A HA 0.351 4.671 4.320 -0.000 0.000 0.243 169 A C 1.105 178.248 177.584 -0.736 0.000 1.254 169 A CA 0.478 52.183 52.037 -0.553 0.000 0.914 169 A CB -0.930 17.858 19.000 -0.354 0.000 0.998 169 A HN 0.952 nan 8.150 nan 0.000 0.515 170 C N -1.593 116.867 119.300 -1.401 0.000 4.417 170 C HA -0.152 4.308 4.460 -0.000 0.000 0.284 170 C C 1.254 175.777 174.990 -0.778 0.000 1.379 170 C CA -0.281 57.709 59.018 -1.712 0.000 1.918 170 C CB -3.048 24.177 27.740 -0.859 0.000 1.280 170 C HN 1.139 nan 8.230 nan 0.000 0.783 171 A N 0.987 123.545 122.820 -0.435 0.000 2.409 171 A HA 0.573 4.893 4.320 -0.000 0.000 0.267 171 A C 0.789 178.296 177.584 -0.128 0.000 1.127 171 A CA 1.021 52.957 52.037 -0.169 0.000 0.795 171 A CB 0.241 19.222 19.000 -0.031 0.000 1.061 171 A HN 1.396 nan 8.150 nan 0.000 0.502 172 T N 1.434 115.931 114.554 -0.095 0.000 3.504 172 T HA 0.502 4.852 4.350 -0.000 0.000 0.286 172 T C -2.660 172.004 174.700 -0.061 0.000 1.530 172 T CA -1.370 60.706 62.100 -0.039 0.000 1.652 172 T CB 0.552 69.423 68.868 0.006 0.000 0.895 172 T HN 0.467 nan 8.240 nan 0.000 0.674 173 P HA 0.387 nan 4.420 nan 0.000 0.276 173 P C -0.337 176.829 177.300 -0.223 0.000 1.244 173 P CA -0.649 62.371 63.100 -0.132 0.000 0.801 173 P CB 1.180 32.797 31.700 -0.139 0.000 1.006 174 R N 0.996 121.291 120.500 -0.342 0.000 2.441 174 R HA 0.380 4.720 4.340 -0.000 0.000 0.284 174 R C 0.032 176.232 176.300 -0.167 0.000 1.070 174 R CA -0.479 55.233 56.100 -0.648 0.000 1.047 174 R CB 0.199 30.057 30.300 -0.737 0.000 1.016 174 R HN 0.385 nan 8.270 nan 0.000 0.477 175 F N 2.285 122.000 119.950 -0.391 0.000 2.412 175 F HA 0.032 4.559 4.527 -0.000 0.000 0.348 175 F C 1.089 176.712 175.800 -0.295 0.000 1.102 175 F CA -1.343 56.465 58.000 -0.321 0.000 1.196 175 F CB 0.243 39.042 39.000 -0.334 0.000 1.144 175 F HN 0.547 nan 8.300 nan 0.000 0.541 176 D N 2.442 122.779 120.400 -0.106 0.000 2.433 176 D HA 0.157 4.797 4.640 -0.000 0.000 0.255 176 D C 1.018 177.230 176.300 -0.146 0.000 1.226 176 D CA -0.440 53.495 54.000 -0.109 0.000 1.015 176 D CB 0.501 41.254 40.800 -0.080 0.000 1.091 176 D HN 0.465 nan 8.370 nan 0.000 0.527 177 R N -0.301 120.139 120.500 -0.101 0.000 2.096 177 R HA -0.153 4.186 4.340 -0.000 0.000 0.240 177 R C 2.023 178.264 176.300 -0.098 0.000 1.139 177 R CA 1.437 57.484 56.100 -0.089 0.000 0.952 177 R CB -0.344 29.942 30.300 -0.023 0.000 0.854 177 R HN 0.605 nan 8.270 nan 0.000 0.436 178 E N 0.717 120.858 120.200 -0.098 0.000 2.267 178 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 178 E C 1.628 178.104 176.600 -0.207 0.000 0.998 178 E CA 1.150 57.490 56.400 -0.100 0.000 0.830 178 E CB 0.117 29.805 29.700 -0.020 0.000 0.751 178 E HN 0.454 nan 8.360 nan 0.000 0.491 179 Q N -0.429 119.167 119.800 -0.341 0.000 2.319 179 Q HA 0.074 4.414 4.340 -0.000 0.000 0.202 179 Q C 0.476 176.377 176.000 -0.166 0.000 0.896 179 Q CA -0.057 55.480 55.803 -0.445 0.000 0.942 179 Q CB 0.622 28.808 28.738 -0.920 0.000 1.083 179 Q HN -0.033 nan 8.270 nan 0.000 0.510 180 R N 1.471 121.917 120.500 -0.091 0.000 2.686 180 R HA 0.376 4.716 4.340 -0.000 0.000 0.286 180 R C -2.782 173.518 176.300 0.000 0.000 0.969 180 R CA -2.028 54.035 56.100 -0.062 0.000 0.898 180 R CB 1.497 31.586 30.300 -0.352 0.000 1.183 180 R HN -0.193 nan 8.270 nan 0.000 0.456 181 P HA 0.037 nan 4.420 nan 0.000 0.269 181 P C -0.474 177.006 177.300 0.301 0.000 1.215 181 P CA -0.101 63.104 63.100 0.174 0.000 0.780 181 P CB 0.673 32.483 31.700 0.184 0.000 0.898 182 L N 2.518 123.872 121.223 0.219 0.000 2.416 182 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 182 L C 1.818 178.805 176.870 0.196 0.000 1.161 182 L CA -0.201 54.824 54.840 0.309 0.000 0.845 182 L CB 0.077 42.364 42.059 0.379 0.000 1.119 182 L HN 0.352 nan 8.230 nan 0.000 0.464 183 L N 3.407 124.779 121.223 0.248 0.000 2.470 183 L HA 0.190 4.530 4.340 -0.000 0.000 0.219 183 L C -0.001 177.041 176.870 0.286 0.000 1.071 183 L CA 0.257 55.136 54.840 0.065 0.000 0.850 183 L CB 0.450 42.333 42.059 -0.292 0.000 1.040 183 L HN 0.340 nan 8.230 nan 0.000 0.475 184 V N 1.249 121.342 119.914 0.300 0.000 2.540 184 V HA 0.296 4.416 4.120 -0.000 0.000 0.302 184 V C -0.190 176.006 176.094 0.170 0.000 1.035 184 V CA -0.952 61.471 62.300 0.205 0.000 0.873 184 V CB 1.934 33.818 31.823 0.101 0.000 0.992 184 V HN 0.096 nan 8.190 nan 0.000 0.428 185 K N 2.620 122.983 120.400 -0.060 0.000 2.110 185 K HA 0.297 4.616 4.320 -0.000 0.000 0.263 185 K C -0.272 176.297 176.600 -0.053 0.000 0.975 185 K CA -0.185 56.034 56.287 -0.114 0.000 0.895 185 K CB 1.258 33.485 32.500 -0.454 0.000 1.060 185 K HN 0.700 nan 8.250 nan 0.000 0.448 186 D N 1.047 121.443 120.400 -0.005 0.000 2.701 186 D HA -0.200 4.440 4.640 -0.000 0.000 0.235 186 D C -0.943 175.364 176.300 0.011 0.000 1.155 186 D CA 1.504 55.505 54.000 0.002 0.000 0.649 186 D CB -0.718 40.069 40.800 -0.021 0.000 1.050 186 D HN 0.738 nan 8.370 nan 0.000 0.425 187 D N -1.637 118.783 120.400 0.033 0.000 2.318 187 D HA 0.448 5.088 4.640 -0.000 0.000 0.233 187 D C 0.641 176.979 176.300 0.063 0.000 1.348 187 D CA 0.087 54.111 54.000 0.039 0.000 0.983 187 D CB 0.765 41.582 40.800 0.028 0.000 1.416 187 D HN -0.029 nan 8.370 nan 0.000 0.558 188 A N 3.123 125.981 122.820 0.063 0.000 1.854 188 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 188 A C 1.608 179.242 177.584 0.083 0.000 1.192 188 A CA 1.385 53.471 52.037 0.080 0.000 0.611 188 A CB -0.222 18.818 19.000 0.067 0.000 0.832 188 A HN 0.525 nan 8.150 nan 0.000 0.442 189 D N 0.382 120.819 120.400 0.063 0.000 2.149 189 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 189 D C 2.114 178.455 176.300 0.068 0.000 1.001 189 D CA 1.836 55.873 54.000 0.061 0.000 0.849 189 D CB -0.435 40.392 40.800 0.045 0.000 0.939 189 D HN 0.449 nan 8.370 nan 0.000 0.449 190 A N 0.408 123.265 122.820 0.062 0.000 1.929 190 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 190 A C 1.946 179.577 177.584 0.078 0.000 1.176 190 A CA 1.748 53.819 52.037 0.056 0.000 0.628 190 A CB -0.542 18.482 19.000 0.040 0.000 0.816 190 A HN 0.142 nan 8.150 nan 0.000 0.444 191 D N 0.112 120.582 120.400 0.117 0.000 2.104 191 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 191 D C 1.290 177.744 176.300 0.257 0.000 0.994 191 D CA 1.705 55.821 54.000 0.194 0.000 0.830 191 D CB -0.166 40.777 40.800 0.240 0.000 0.959 191 D HN 0.338 nan 8.370 nan 0.000 0.452 192 D N -0.554 119.969 120.400 0.204 0.000 2.117 192 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 192 D C 1.950 178.362 176.300 0.187 0.000 0.987 192 D CA 1.427 55.553 54.000 0.209 0.000 0.829 192 D CB -0.528 40.352 40.800 0.133 0.000 0.961 192 D HN 0.303 nan 8.370 nan 0.000 0.460 193 A N 0.669 123.559 122.820 0.117 0.000 1.877 193 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 193 A C 2.144 179.758 177.584 0.049 0.000 1.186 193 A CA 1.909 53.992 52.037 0.076 0.000 0.620 193 A CB -0.613 18.414 19.000 0.045 0.000 0.822 193 A HN 0.150 nan 8.150 nan 0.000 0.443 194 E N -0.724 119.480 120.200 0.008 0.000 2.070 194 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 194 E C 1.696 178.212 176.600 -0.140 0.000 1.004 194 E CA 1.848 58.182 56.400 -0.109 0.000 0.805 194 E CB -0.475 29.109 29.700 -0.194 0.000 0.744 194 E HN 0.741 nan 8.360 nan 0.000 0.451 195 W N 0.440 121.705 121.300 -0.057 0.000 2.358 195 W HA -0.110 4.550 4.660 -0.000 0.000 0.303 195 W C 2.238 178.744 176.519 -0.022 0.000 1.208 195 W CA 1.130 58.407 57.345 -0.115 0.000 1.274 195 W CB -0.361 29.081 29.460 -0.031 0.000 1.138 195 W HN 0.223 nan 8.180 nan 0.000 0.515 196 D N -0.000 120.564 120.400 0.273 0.000 2.144 196 D HA -0.212 4.428 4.640 -0.000 0.000 0.199 196 D C 2.152 178.528 176.300 0.126 0.000 0.984 196 D CA 1.373 55.504 54.000 0.218 0.000 0.834 196 D CB -0.199 40.688 40.800 0.145 0.000 0.955 196 D HN -0.035 nan 8.370 nan 0.000 0.465 197 R N -0.350 120.178 120.500 0.046 0.000 2.075 197 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 197 R C 2.273 178.534 176.300 -0.065 0.000 1.126 197 R CA 0.993 57.083 56.100 -0.017 0.000 0.963 197 R CB -0.204 30.069 30.300 -0.045 0.000 0.858 197 R HN 0.265 nan 8.270 nan 0.000 0.435 198 L N -0.705 120.449 121.223 -0.114 0.000 2.131 198 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 198 L C 2.137 178.934 176.870 -0.122 0.000 1.087 198 L CA 0.773 55.492 54.840 -0.202 0.000 0.767 198 L CB -0.462 41.381 42.059 -0.361 0.000 0.917 198 L HN 0.138 nan 8.230 nan 0.000 0.441 199 Y N 0.463 120.765 120.300 0.004 0.000 2.200 199 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 199 Y C 2.865 178.747 175.900 -0.030 0.000 1.137 199 Y CA 1.359 59.469 58.100 0.016 0.000 1.163 199 Y CB -1.110 37.391 38.460 0.068 0.000 0.988 199 Y HN 0.123 nan 8.280 nan 0.000 0.518 200 T N -0.115 114.515 114.554 0.127 0.000 2.684 200 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 200 T C 1.975 176.643 174.700 -0.054 0.000 1.036 200 T CA 1.584 63.707 62.100 0.038 0.000 1.148 200 T CB -0.156 68.726 68.868 0.023 0.000 0.863 200 T HN 0.236 nan 8.240 nan 0.000 0.436 201 K N 0.836 121.149 120.400 -0.145 0.000 2.032 201 K HA -0.033 4.287 4.320 -0.000 0.000 0.209 201 K C 2.710 178.975 176.600 -0.558 0.000 1.048 201 K CA 1.301 57.367 56.287 -0.369 0.000 0.927 201 K CB -0.371 31.865 32.500 -0.440 0.000 0.712 201 K HN 0.303 nan 8.250 nan 0.000 0.441 202 A N 1.562 124.169 122.820 -0.355 0.000 1.902 202 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 202 A C 1.865 179.461 177.584 0.020 0.000 1.181 202 A CA 1.657 53.569 52.037 -0.209 0.000 0.623 202 A CB -0.452 18.539 19.000 -0.014 0.000 0.818 202 A HN 0.362 nan 8.150 nan 0.000 0.443 203 E N 0.314 120.561 120.200 0.078 0.000 2.118 203 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 203 E C 2.335 179.015 176.600 0.134 0.000 0.992 203 E CA 1.567 58.053 56.400 0.142 0.000 0.804 203 E CB -0.186 29.572 29.700 0.096 0.000 0.741 203 E HN 0.832 nan 8.360 nan 0.000 0.458 204 S N -0.006 115.726 115.700 0.054 0.000 2.387 204 S HA -0.126 4.344 4.470 -0.000 0.000 0.226 204 S C 1.852 176.600 174.600 0.247 0.000 1.026 204 S CA 0.475 58.739 58.200 0.107 0.000 0.972 204 S CB -0.382 62.854 63.200 0.061 0.000 0.814 204 S HN 0.188 nan 8.310 nan 0.000 0.477 205 Y N 0.833 121.148 120.300 0.024 0.000 2.181 205 Y HA 0.097 4.647 4.550 -0.000 0.000 0.288 205 Y C 2.027 177.952 175.900 0.041 0.000 1.146 205 Y CA -0.119 57.962 58.100 -0.033 0.000 1.164 205 Y CB -1.067 37.295 38.460 -0.163 0.000 0.982 205 Y HN 0.279 nan 8.280 nan 0.000 0.515 206 F N 0.163 120.268 119.950 0.257 0.000 2.710 206 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 206 F C 0.828 176.736 175.800 0.180 0.000 1.137 206 F CA 0.258 58.398 58.000 0.234 0.000 1.444 206 F CB -0.326 38.834 39.000 0.265 0.000 1.111 206 F HN 0.023 nan 8.300 nan 0.000 0.580 207 Q N 0.637 120.628 119.800 0.319 0.000 2.463 207 Q HA -0.185 4.155 4.340 -0.000 0.000 0.299 207 Q C 0.073 176.157 176.000 0.140 0.000 1.353 207 Q CA 0.723 56.637 55.803 0.184 0.000 0.828 207 Q CB -2.608 26.213 28.738 0.138 0.000 1.157 207 Q HN 0.205 nan 8.270 nan 0.000 0.436 208 T N -0.017 114.632 114.554 0.158 0.000 2.930 208 T HA 0.470 4.820 4.350 -0.000 0.000 0.306 208 T C 0.754 175.484 174.700 0.051 0.000 1.045 208 T CA 0.581 62.740 62.100 0.099 0.000 1.134 208 T CB 1.336 70.274 68.868 0.116 0.000 0.961 208 T HN 0.508 nan 8.240 nan 0.000 0.545 209 G N 0.455 109.270 108.800 0.025 0.000 2.677 209 G HA2 0.519 4.479 3.960 -0.000 0.000 0.291 209 G HA3 0.519 4.479 3.960 -0.000 0.000 0.291 209 G C 0.073 174.982 174.900 0.016 0.000 1.435 209 G CA -0.481 44.625 45.100 0.011 0.000 0.826 209 G HN 0.643 nan 8.290 nan 0.000 0.491 210 T N -2.393 112.171 114.554 0.017 0.000 3.252 210 T HA 0.263 4.613 4.350 -0.000 0.000 0.286 210 T C 0.227 174.944 174.700 0.028 0.000 1.013 210 T CA 0.583 62.705 62.100 0.036 0.000 0.914 210 T CB 0.348 69.244 68.868 0.047 0.000 1.131 210 T HN 0.481 nan 8.240 nan 0.000 0.529 211 D N 0.436 120.829 120.400 -0.012 0.000 2.474 211 D HA 0.037 4.677 4.640 -0.000 0.000 0.213 211 D C 1.401 177.626 176.300 -0.124 0.000 1.120 211 D CA -0.002 53.969 54.000 -0.047 0.000 0.836 211 D CB -0.112 40.655 40.800 -0.054 0.000 1.019 211 D HN 0.298 nan 8.370 nan 0.000 0.507 212 Q N -0.308 119.404 119.800 -0.147 0.000 2.364 212 Q HA 0.100 4.440 4.340 -0.000 0.000 0.207 212 Q C 0.385 176.014 176.000 -0.618 0.000 0.970 212 Q CA 0.948 56.533 55.803 -0.364 0.000 0.888 212 Q CB -0.316 28.176 28.738 -0.409 0.000 0.951 212 Q HN 0.304 nan 8.270 nan 0.000 0.469 213 F N -0.205 119.567 119.950 -0.297 0.000 2.683 213 F HA 0.228 4.754 4.527 -0.000 0.000 0.306 213 F C 1.222 176.794 175.800 -0.380 0.000 1.102 213 F CA -0.535 57.233 58.000 -0.386 0.000 1.244 213 F CB 0.396 39.085 39.000 -0.519 0.000 1.029 213 F HN -0.004 nan 8.300 nan 0.000 0.545 214 K N 0.419 120.712 120.400 -0.179 0.000 2.442 214 K HA -0.071 4.249 4.320 -0.000 0.000 0.198 214 K C 0.610 177.074 176.600 -0.225 0.000 1.042 214 K CA 1.533 57.775 56.287 -0.076 0.000 0.958 214 K CB -0.094 32.366 32.500 -0.067 0.000 0.766 214 K HN 0.311 nan 8.250 nan 0.000 0.474 215 E N 1.477 121.406 120.200 -0.451 0.000 2.651 215 E HA 0.063 4.413 4.350 -0.000 0.000 0.208 215 E C -0.972 175.354 176.600 -0.457 0.000 0.997 215 E CA -0.337 55.479 56.400 -0.974 0.000 1.020 215 E CB 1.123 30.183 29.700 -1.068 0.000 1.052 215 E HN 0.215 nan 8.360 nan 0.000 0.465 216 S N 0.615 116.263 115.700 -0.086 0.000 2.499 216 S HA 0.190 4.660 4.470 -0.000 0.000 0.275 216 S C 1.253 175.973 174.600 0.200 0.000 1.257 216 S CA -0.423 57.828 58.200 0.084 0.000 1.050 216 S CB 0.438 63.751 63.200 0.188 0.000 0.937 216 S HN 0.245 nan 8.310 nan 0.000 0.490 217 I N 5.071 125.654 120.570 0.022 0.000 2.142 217 I HA -0.194 3.975 4.170 -0.000 0.000 0.240 217 I C 2.738 178.687 176.117 -0.279 0.000 1.078 217 I CA 1.282 62.341 61.300 -0.403 0.000 1.343 217 I CB -0.277 37.254 38.000 -0.780 0.000 1.046 217 I HN 0.707 nan 8.210 nan 0.000 0.405 218 R N -0.391 120.024 120.500 -0.141 0.000 2.103 218 R HA -0.273 4.067 4.340 -0.000 0.000 0.242 218 R C 2.364 178.699 176.300 0.058 0.000 1.142 218 R CA 2.098 58.169 56.100 -0.048 0.000 0.960 218 R CB -0.837 29.447 30.300 -0.027 0.000 0.858 218 R HN 0.476 nan 8.270 nan 0.000 0.439 219 H N 0.939 120.031 119.070 0.037 0.000 2.319 219 H HA -0.050 4.505 4.556 -0.000 0.000 0.299 219 H C 1.795 177.202 175.328 0.131 0.000 1.092 219 H CA 1.894 57.988 56.048 0.077 0.000 1.302 219 H CB -0.052 29.782 29.762 0.121 0.000 1.373 219 H HN 0.148 nan 8.280 nan 0.000 0.497 220 N N 0.002 118.832 118.700 0.217 0.000 2.270 220 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 220 N C 1.994 177.660 175.510 0.260 0.000 1.016 220 N CA 0.899 54.110 53.050 0.267 0.000 0.870 220 N CB -0.124 38.723 38.487 0.600 0.000 0.979 220 N HN 0.307 nan 8.380 nan 0.000 0.431 221 L N 1.374 122.760 121.223 0.272 0.000 2.012 221 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 221 L C 2.091 179.029 176.870 0.113 0.000 1.073 221 L CA 1.450 56.450 54.840 0.267 0.000 0.748 221 L CB -0.548 41.607 42.059 0.161 0.000 0.891 221 L HN -0.123 nan 8.230 nan 0.000 0.431 222 V N -0.971 118.959 119.914 0.028 0.000 2.323 222 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 222 V C 2.398 178.433 176.094 -0.098 0.000 1.041 222 V CA 1.398 63.683 62.300 -0.025 0.000 1.025 222 V CB -0.613 31.174 31.823 -0.061 0.000 0.656 222 V HN 0.476 nan 8.190 nan 0.000 0.451 223 L N 1.207 122.337 121.223 -0.155 0.000 1.990 223 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 223 L C 2.238 179.041 176.870 -0.111 0.000 1.072 223 L CA 2.134 56.870 54.840 -0.174 0.000 0.755 223 L CB -1.167 40.757 42.059 -0.225 0.000 0.889 223 L HN 0.322 nan 8.230 nan 0.000 0.432 224 N N -0.120 118.567 118.700 -0.022 0.000 2.069 224 N HA -0.231 4.508 4.740 -0.000 0.000 0.191 224 N C 1.873 177.366 175.510 -0.029 0.000 1.031 224 N CA 1.526 54.578 53.050 0.004 0.000 0.852 224 N CB -0.391 38.129 38.487 0.054 0.000 1.018 224 N HN 0.289 nan 8.380 nan 0.000 0.423 225 K N 1.334 121.719 120.400 -0.025 0.000 2.026 225 K HA 0.060 4.380 4.320 -0.000 0.000 0.208 225 K C 2.004 178.560 176.600 -0.074 0.000 1.048 225 K CA 0.911 57.182 56.287 -0.027 0.000 0.929 225 K CB -0.538 31.967 32.500 0.008 0.000 0.713 225 K HN 0.145 nan 8.250 nan 0.000 0.439 226 L N 0.095 121.206 121.223 -0.186 0.000 2.083 226 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 226 L C 2.256 178.940 176.870 -0.310 0.000 1.083 226 L CA 1.667 56.279 54.840 -0.379 0.000 0.752 226 L CB -0.796 40.654 42.059 -1.014 0.000 0.899 226 L HN 0.247 nan 8.230 nan 0.000 0.433 227 T N -0.758 113.655 114.554 -0.235 0.000 2.684 227 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 227 T C 1.798 176.540 174.700 0.071 0.000 1.036 227 T CA 1.830 63.941 62.100 0.018 0.000 1.148 227 T CB -0.143 68.750 68.868 0.041 0.000 0.863 227 T HN 0.416 nan 8.240 nan 0.000 0.436 228 E N 0.553 120.761 120.200 0.014 0.000 2.072 228 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 228 E C 2.117 178.716 176.600 -0.002 0.000 0.985 228 E CA 0.944 57.349 56.400 0.009 0.000 0.801 228 E CB 0.024 29.714 29.700 -0.016 0.000 0.750 228 E HN 0.334 nan 8.360 nan 0.000 0.452 229 E N -0.401 119.781 120.200 -0.031 0.000 2.204 229 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 229 E C 0.729 177.178 176.600 -0.251 0.000 0.990 229 E CA 0.977 57.281 56.400 -0.160 0.000 0.821 229 E CB 0.008 29.576 29.700 -0.221 0.000 0.750 229 E HN 0.493 nan 8.360 nan 0.000 0.477 230 Y N 0.070 120.404 120.300 0.057 0.000 2.696 230 Y HA 0.209 4.759 4.550 -0.000 0.000 0.260 230 Y C 0.451 176.413 175.900 0.104 0.000 1.165 230 Y CA -0.493 57.676 58.100 0.115 0.000 1.189 230 Y CB 0.487 39.101 38.460 0.257 0.000 1.180 230 Y HN -0.294 nan 8.280 nan 0.000 0.538 231 K N 0.900 121.399 120.400 0.165 0.000 2.473 231 K HA 0.078 4.398 4.320 -0.000 0.000 0.277 231 K C 1.161 177.822 176.600 0.101 0.000 1.052 231 K CA 1.541 57.899 56.287 0.118 0.000 1.114 231 K CB -0.184 32.354 32.500 0.063 0.000 0.869 231 K HN 0.693 nan 8.250 nan 0.000 0.481 232 G N 3.047 111.908 108.800 0.101 0.000 2.234 232 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.235 232 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.235 232 G C 0.644 175.597 174.900 0.089 0.000 0.997 232 G CA 0.480 45.627 45.100 0.078 0.000 0.623 232 G HN 0.689 nan 8.290 nan 0.000 0.514 233 Q N -0.859 119.019 119.800 0.129 0.000 2.580 233 Q HA 0.363 4.702 4.340 -0.000 0.000 0.239 233 Q C 1.101 177.167 176.000 0.110 0.000 0.873 233 Q CA 0.128 56.010 55.803 0.131 0.000 0.951 233 Q CB 0.823 29.673 28.738 0.187 0.000 1.172 233 Q HN 0.446 nan 8.270 nan 0.000 0.616 234 R N 0.808 121.389 120.500 0.134 0.000 2.744 234 R HA 0.417 4.757 4.340 -0.000 0.000 0.279 234 R C -1.526 174.799 176.300 0.041 0.000 0.977 234 R CA -0.736 55.349 56.100 -0.025 0.000 0.906 234 R CB 1.710 31.788 30.300 -0.369 0.000 1.197 234 R HN -0.006 nan 8.270 nan 0.000 0.463 235 D N 1.658 122.014 120.400 -0.074 0.000 2.168 235 D HA 0.366 5.006 4.640 -0.000 0.000 0.246 235 D C -0.709 175.492 176.300 -0.165 0.000 1.050 235 D CA 0.032 54.039 54.000 0.012 0.000 0.857 235 D CB 1.241 42.050 40.800 0.016 0.000 1.169 235 D HN 0.134 nan 8.370 nan 0.000 0.453 236 F N 0.757 120.712 119.950 0.007 0.000 2.556 236 F HA 0.433 4.960 4.527 -0.000 0.000 0.327 236 F C 0.664 176.478 175.800 0.023 0.000 1.059 236 F CA -0.596 57.404 58.000 -0.001 0.000 0.953 236 F CB 1.704 40.700 39.000 -0.008 0.000 1.227 236 F HN 0.229 nan 8.300 nan 0.000 0.478 237 Q N -0.269 119.655 119.800 0.206 0.000 2.782 237 Q HA 0.300 4.640 4.340 -0.000 0.000 0.308 237 Q C -1.647 174.466 176.000 0.189 0.000 0.883 237 Q CA -1.270 54.633 55.803 0.167 0.000 0.755 237 Q CB 1.710 30.515 28.738 0.111 0.000 1.454 237 Q HN 0.626 nan 8.270 nan 0.000 0.452 238 Q N 0.937 120.875 119.800 0.230 0.000 2.364 238 Q HA 0.251 4.591 4.340 -0.000 0.000 0.267 238 Q C -0.480 175.600 176.000 0.133 0.000 0.999 238 Q CA -0.231 55.728 55.803 0.261 0.000 0.886 238 Q CB 0.551 29.418 28.738 0.215 0.000 1.243 238 Q HN 0.579 nan 8.270 nan 0.000 0.415 239 I N 5.884 126.514 120.570 0.100 0.000 2.752 239 I HA -0.038 4.132 4.170 -0.000 0.000 0.289 239 I C -1.986 174.159 176.117 0.047 0.000 1.197 239 I CA -1.466 59.867 61.300 0.056 0.000 1.432 239 I CB 0.203 38.213 38.000 0.017 0.000 1.359 239 I HN 0.472 nan 8.210 nan 0.000 0.571 240 P HA 0.304 nan 4.420 nan 0.000 0.276 240 P C -0.965 176.334 177.300 -0.001 0.000 1.243 240 P CA 0.001 63.110 63.100 0.016 0.000 0.768 240 P CB 0.580 32.278 31.700 -0.004 0.000 0.856 241 L N 2.451 123.681 121.223 0.012 0.000 2.385 241 L HA 0.630 4.970 4.340 -0.000 0.000 0.273 241 L C 0.218 177.080 176.870 -0.014 0.000 0.990 241 L CA -1.068 53.775 54.840 0.004 0.000 0.821 241 L CB 2.082 44.209 42.059 0.113 0.000 1.279 241 L HN 0.260 nan 8.230 nan 0.000 0.412 242 A N 3.349 126.119 122.820 -0.082 0.000 2.666 242 A HA 0.770 5.090 4.320 -0.000 0.000 0.312 242 A C 0.007 177.601 177.584 0.016 0.000 1.471 242 A CA 0.095 52.119 52.037 -0.023 0.000 1.134 242 A CB -0.292 18.633 19.000 -0.126 0.000 1.129 242 A HN 0.782 nan 8.150 nan 0.000 0.539 243 A N 1.923 124.721 122.820 -0.037 0.000 2.590 243 A HA 0.723 5.043 4.320 -0.000 0.000 0.296 243 A C -0.481 176.971 177.584 -0.219 0.000 1.050 243 A CA -0.481 51.429 52.037 -0.212 0.000 0.697 243 A CB 0.728 19.414 19.000 -0.523 0.000 1.277 243 A HN 0.653 nan 8.150 nan 0.000 0.411 244 T N 1.352 115.748 114.554 -0.264 0.000 2.812 244 T HA 0.520 4.870 4.350 -0.000 0.000 0.282 244 T C 0.005 174.522 174.700 -0.304 0.000 0.990 244 T CA -0.463 61.504 62.100 -0.221 0.000 0.960 244 T CB 1.336 70.134 68.868 -0.115 0.000 0.948 244 T HN 0.716 nan 8.240 nan 0.000 0.438 245 R N 2.153 122.467 120.500 -0.311 0.000 2.401 245 R HA 0.214 4.554 4.340 -0.000 0.000 0.299 245 R C 0.801 177.001 176.300 -0.167 0.000 1.064 245 R CA -0.406 55.506 56.100 -0.314 0.000 1.000 245 R CB 0.359 30.449 30.300 -0.350 0.000 0.973 245 R HN 0.387 nan 8.270 nan 0.000 0.438 246 R N 1.115 121.567 120.500 -0.080 0.000 2.206 246 R HA 0.116 4.456 4.340 -0.000 0.000 0.198 246 R C 0.348 176.630 176.300 -0.030 0.000 0.986 246 R CA 0.704 56.795 56.100 -0.015 0.000 1.029 246 R CB 0.065 30.414 30.300 0.082 0.000 0.966 246 R HN 0.722 nan 8.270 nan 0.000 0.487 247 S N -1.388 114.297 115.700 -0.026 0.000 2.615 247 S HA 0.382 4.852 4.470 -0.000 0.000 0.269 247 S C -2.597 171.963 174.600 -0.066 0.000 1.161 247 S CA -1.105 57.074 58.200 -0.034 0.000 0.817 247 S CB 2.127 65.331 63.200 0.006 0.000 1.131 247 S HN -0.240 nan 8.310 nan 0.000 0.467 248 P HA 0.019 nan 4.420 nan 0.000 0.223 248 P C 0.997 178.258 177.300 -0.066 0.000 1.144 248 P CA 1.722 64.770 63.100 -0.087 0.000 0.783 248 P CB -0.201 31.467 31.700 -0.053 0.000 0.771 249 T N -7.098 107.451 114.554 -0.008 0.000 3.091 249 T HA 0.275 4.625 4.350 -0.000 0.000 0.277 249 T C -0.200 174.545 174.700 0.076 0.000 0.996 249 T CA -0.328 61.788 62.100 0.026 0.000 0.897 249 T CB -0.534 68.371 68.868 0.062 0.000 1.109 249 T HN -0.116 nan 8.240 nan 0.000 0.534 250 F N 1.746 121.628 119.950 -0.114 0.000 2.536 250 F HA 0.665 5.192 4.527 -0.000 0.000 0.322 250 F C -1.387 174.277 175.800 -0.227 0.000 1.144 250 F CA -1.047 56.881 58.000 -0.120 0.000 0.924 250 F CB 1.920 40.867 39.000 -0.089 0.000 1.181 250 F HN -0.127 nan 8.300 nan 0.000 0.438 251 V N 5.353 124.811 119.914 -0.761 0.000 2.417 251 V HA 0.256 4.376 4.120 -0.000 0.000 0.291 251 V C -0.282 175.215 176.094 -0.994 0.000 1.024 251 V CA -0.819 60.966 62.300 -0.860 0.000 0.861 251 V CB 1.667 32.798 31.823 -1.153 0.000 0.985 251 V HN 0.710 nan 8.190 nan 0.000 0.436 252 E N 4.800 124.669 120.200 -0.551 0.000 1.893 252 E HA 0.132 4.482 4.350 -0.000 0.000 0.269 252 E C -0.877 175.508 176.600 -0.359 0.000 1.129 252 E CA -0.587 55.642 56.400 -0.285 0.000 0.904 252 E CB 0.354 30.048 29.700 -0.010 0.000 1.077 252 E HN 0.639 nan 8.360 nan 0.000 0.407 253 W N 2.606 123.773 121.300 -0.221 0.000 2.231 253 W HA -0.003 4.656 4.660 -0.000 0.000 0.341 253 W C 0.712 177.250 176.519 0.032 0.000 1.298 253 W CA -0.413 56.795 57.345 -0.228 0.000 1.266 253 W CB 0.521 29.597 29.460 -0.641 0.000 1.172 253 W HN 0.291 nan 8.180 nan 0.000 0.568 254 S N 1.627 117.529 115.700 0.336 0.000 2.632 254 S HA 0.651 5.121 4.470 -0.000 0.000 0.267 254 S C 0.116 175.143 174.600 0.711 0.000 1.276 254 S CA -0.726 57.738 58.200 0.441 0.000 0.998 254 S CB 1.321 64.784 63.200 0.439 0.000 0.953 254 S HN 0.505 nan 8.310 nan 0.000 0.547 255 S N -0.211 115.845 115.700 0.593 0.000 2.790 255 S HA 0.715 5.185 4.470 -0.000 0.000 0.292 255 S C 0.819 175.619 174.600 0.333 0.000 1.197 255 S CA -0.333 58.152 58.200 0.475 0.000 0.851 255 S CB 0.577 63.960 63.200 0.304 0.000 1.217 255 S HN 0.705 nan 8.310 nan 0.000 0.526 256 A N 1.472 124.380 122.820 0.148 0.000 1.948 256 A HA -0.165 4.154 4.320 -0.000 0.000 0.220 256 A C 2.000 179.627 177.584 0.071 0.000 1.177 256 A CA 2.045 54.126 52.037 0.073 0.000 0.636 256 A CB -1.492 17.512 19.000 0.007 0.000 0.815 256 A HN 0.862 nan 8.150 nan 0.000 0.449 257 N N -0.398 118.347 118.700 0.076 0.000 2.149 257 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 257 N C 1.533 177.064 175.510 0.036 0.000 1.019 257 N CA 2.064 55.133 53.050 0.031 0.000 0.857 257 N CB -0.238 38.277 38.487 0.046 0.000 0.997 257 N HN 0.467 nan 8.380 nan 0.000 0.426 258 T N 0.553 115.179 114.554 0.120 0.000 2.746 258 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 258 T C 2.086 176.820 174.700 0.057 0.000 1.039 258 T CA 1.240 63.414 62.100 0.124 0.000 1.142 258 T CB -0.283 68.734 68.868 0.248 0.000 0.866 258 T HN 0.060 nan 8.240 nan 0.000 0.444 259 V N -0.435 119.498 119.914 0.032 0.000 2.358 259 V HA 0.139 4.259 4.120 -0.000 0.000 0.246 259 V C 0.515 176.571 176.094 -0.062 0.000 1.047 259 V CA 0.988 63.232 62.300 -0.093 0.000 1.035 259 V CB -0.410 31.304 31.823 -0.181 0.000 0.658 259 V HN 0.487 nan 8.190 nan 0.000 0.452 260 F N 0.823 120.650 119.950 -0.206 0.000 2.622 260 F HA 0.383 4.910 4.527 -0.000 0.000 0.318 260 F C 0.077 175.753 175.800 -0.206 0.000 1.135 260 F CA -1.616 56.234 58.000 -0.250 0.000 1.015 260 F CB 1.421 40.227 39.000 -0.322 0.000 1.275 260 F HN 0.142 nan 8.300 nan 0.000 0.457 261 D N 4.881 124.767 120.400 -0.856 0.000 2.363 261 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 261 D C 1.247 177.227 176.300 -0.534 0.000 1.020 261 D CA 0.903 54.581 54.000 -0.538 0.000 0.892 261 D CB -0.084 40.466 40.800 -0.416 0.000 0.900 261 D HN 0.688 nan 8.370 nan 0.000 0.531 262 L N -1.857 118.866 121.223 -0.833 0.000 4.739 262 L HA -0.272 4.068 4.340 -0.000 0.000 0.437 262 L C -0.077 176.691 176.870 -0.170 0.000 1.117 262 L CA 0.615 55.226 54.840 -0.382 0.000 0.970 262 L CB -1.366 40.654 42.059 -0.064 0.000 1.965 262 L HN 0.247 nan 8.230 nan 0.000 0.872 263 Q N 0.872 120.496 119.800 -0.295 0.000 2.364 263 Q HA 0.165 4.505 4.340 -0.000 0.000 0.267 263 Q C 0.443 176.474 176.000 0.051 0.000 0.999 263 Q CA 0.126 55.861 55.803 -0.115 0.000 0.886 263 Q CB 0.419 29.064 28.738 -0.154 0.000 1.243 263 Q HN 0.146 nan 8.270 nan 0.000 0.415 264 N N 1.780 120.527 118.700 0.080 0.000 2.479 264 N HA 0.120 4.860 4.740 -0.000 0.000 0.257 264 N C -0.328 175.245 175.510 0.105 0.000 1.232 264 N CA 0.307 53.425 53.050 0.115 0.000 0.920 264 N CB 0.589 39.065 38.487 -0.020 0.000 1.105 264 N HN 0.263 nan 8.380 nan 0.000 0.444 265 R N 1.115 121.707 120.500 0.154 0.000 2.744 265 R HA 0.481 4.821 4.340 -0.000 0.000 0.279 265 R C -2.410 173.959 176.300 0.116 0.000 0.977 265 R CA -1.537 54.642 56.100 0.131 0.000 0.906 265 R CB 2.115 32.519 30.300 0.173 0.000 1.197 265 R HN 0.402 nan 8.270 nan 0.000 0.463 266 P HA 0.089 nan 4.420 nan 0.000 0.272 266 P C -1.276 176.078 177.300 0.090 0.000 1.230 266 P CA -0.159 63.036 63.100 0.158 0.000 0.788 266 P CB 0.629 32.470 31.700 0.236 0.000 0.949 267 N N -1.947 116.793 118.700 0.066 0.000 3.106 267 N HA 0.168 4.908 4.740 -0.000 0.000 0.253 267 N C 0.474 175.994 175.510 0.017 0.000 1.506 267 N CA -0.720 52.348 53.050 0.031 0.000 0.876 267 N CB -0.632 37.862 38.487 0.012 0.000 1.452 267 N HN 0.060 nan 8.380 nan 0.000 0.542 268 T N -0.813 113.743 114.554 0.003 0.000 2.759 268 T HA -0.095 4.254 4.350 -0.000 0.000 0.269 268 T C 0.159 174.856 174.700 -0.005 0.000 1.042 268 T CA 1.810 63.908 62.100 -0.003 0.000 1.140 268 T CB -0.432 68.431 68.868 -0.009 0.000 0.864 268 T HN 0.537 nan 8.240 nan 0.000 0.455 269 D N 0.803 121.197 120.400 -0.009 0.000 2.327 269 D HA 0.251 4.891 4.640 -0.000 0.000 0.205 269 D C 0.917 177.216 176.300 -0.003 0.000 0.989 269 D CA 0.305 54.297 54.000 -0.013 0.000 0.873 269 D CB 0.159 40.943 40.800 -0.028 0.000 0.955 269 D HN 0.395 nan 8.370 nan 0.000 0.515 270 A N 1.222 124.049 122.820 0.012 0.000 3.297 270 A HA 0.354 4.674 4.320 -0.000 0.000 0.304 270 A C -1.897 175.731 177.584 0.074 0.000 0.963 270 A CA -0.887 51.174 52.037 0.040 0.000 0.935 270 A CB 0.694 19.721 19.000 0.044 0.000 1.093 270 A HN -0.144 nan 8.150 nan 0.000 0.480 271 P HA -0.083 nan 4.420 nan 0.000 0.228 271 P C 0.478 177.852 177.300 0.124 0.000 1.151 271 P CA 1.197 64.334 63.100 0.063 0.000 0.770 271 P CB 0.427 32.126 31.700 -0.002 0.000 0.786 272 E N -0.424 119.877 120.200 0.168 0.000 2.538 272 E HA 0.149 4.498 4.350 -0.000 0.000 0.207 272 E C 0.253 177.110 176.600 0.428 0.000 1.002 272 E CA 0.100 56.698 56.400 0.329 0.000 0.952 272 E CB 0.547 30.342 29.700 0.157 0.000 1.031 272 E HN 0.492 nan 8.360 nan 0.000 0.476 273 E N 0.744 121.105 120.200 0.269 0.000 2.222 273 E HA 0.518 4.868 4.350 -0.000 0.000 0.267 273 E C -0.264 176.394 176.600 0.096 0.000 0.963 273 E CA -0.659 55.834 56.400 0.155 0.000 0.837 273 E CB 1.720 31.502 29.700 0.138 0.000 1.183 273 E HN -0.173 nan 8.360 nan 0.000 0.403 274 R N 1.634 122.149 120.500 0.025 0.000 2.483 274 R HA 0.452 4.792 4.340 -0.000 0.000 0.303 274 R C -1.538 174.839 176.300 0.128 0.000 0.987 274 R CA -0.536 55.561 56.100 -0.005 0.000 0.881 274 R CB 1.104 31.280 30.300 -0.206 0.000 1.177 274 R HN 0.417 nan 8.270 nan 0.000 0.451 275 F N 2.405 122.346 119.950 -0.015 0.000 2.605 275 F HA 0.428 4.955 4.527 -0.000 0.000 0.320 275 F C -1.625 174.112 175.800 -0.105 0.000 1.159 275 F CA -0.583 57.399 58.000 -0.029 0.000 0.999 275 F CB 1.851 40.905 39.000 0.090 0.000 1.258 275 F HN 0.434 nan 8.300 nan 0.000 0.464 276 N N 4.868 122.955 118.700 -1.022 0.000 2.258 276 N HA 0.626 5.366 4.740 -0.000 0.000 0.299 276 N C -2.019 172.560 175.510 -1.552 0.000 1.047 276 N CA -0.783 51.620 53.050 -1.079 0.000 0.814 276 N CB 2.411 40.380 38.487 -0.862 0.000 1.413 276 N HN 0.551 nan 8.380 nan 0.000 0.478 277 L N 2.294 122.840 121.223 -1.129 0.000 2.296 277 L HA 0.609 4.949 4.340 -0.000 0.000 0.286 277 L C -1.708 174.663 176.870 -0.831 0.000 1.023 277 L CA -0.305 54.076 54.840 -0.765 0.000 0.812 277 L CB 0.109 42.042 42.059 -0.208 0.000 1.223 277 L HN 0.479 nan 8.230 nan 0.000 0.421 278 F N 6.792 126.527 119.950 -0.359 0.000 2.359 278 F HA 0.549 5.076 4.527 -0.000 0.000 0.370 278 F C -2.124 173.644 175.800 -0.052 0.000 1.077 278 F CA -2.028 55.856 58.000 -0.193 0.000 1.136 278 F CB 0.628 39.516 39.000 -0.186 0.000 1.387 278 F HN 0.421 nan 8.300 nan 0.000 0.468 279 P HA 0.327 nan 4.420 nan 0.000 0.279 279 P C 0.015 177.373 177.300 0.097 0.000 1.276 279 P CA -0.304 62.843 63.100 0.077 0.000 0.801 279 P CB 0.989 32.712 31.700 0.037 0.000 1.127 280 A N -1.573 121.284 122.820 0.062 0.000 2.783 280 A HA -0.106 4.214 4.320 -0.000 0.000 0.292 280 A C -0.037 177.572 177.584 0.041 0.000 1.495 280 A CA 0.811 52.876 52.037 0.047 0.000 0.787 280 A CB -2.437 16.593 19.000 0.051 0.000 1.017 280 A HN 0.248 nan 8.150 nan 0.000 0.516 281 V N -0.297 119.656 119.914 0.066 0.000 2.407 281 V HA 0.677 4.796 4.120 -0.000 0.000 0.291 281 V C 0.576 176.671 176.094 0.002 0.000 1.018 281 V CA -0.297 62.038 62.300 0.058 0.000 0.842 281 V CB 1.526 33.465 31.823 0.194 0.000 0.996 281 V HN 1.411 nan 8.190 nan 0.000 0.426 282 A N 4.200 126.998 122.820 -0.038 0.000 2.320 282 A HA 0.534 4.854 4.320 -0.000 0.000 0.287 282 A C 0.003 177.561 177.584 -0.043 0.000 1.181 282 A CA -0.211 51.784 52.037 -0.070 0.000 0.831 282 A CB 0.167 19.163 19.000 -0.007 0.000 1.102 282 A HN 0.858 nan 8.150 nan 0.000 0.513 283 C N 2.436 121.689 119.300 -0.078 0.000 2.307 283 C HA 0.404 4.864 4.460 -0.000 0.000 0.340 283 C C 1.342 176.300 174.990 -0.054 0.000 1.275 283 C CA -0.221 58.744 59.018 -0.090 0.000 1.811 283 C CB -0.003 27.674 27.740 -0.105 0.000 2.372 283 C HN 1.044 nan 8.230 nan 0.000 0.531 284 E N 0.910 121.094 120.200 -0.027 0.000 2.330 284 E HA 0.109 4.459 4.350 -0.000 0.000 0.200 284 E C 0.496 177.072 176.600 -0.040 0.000 0.922 284 E CA 0.260 56.651 56.400 -0.014 0.000 0.935 284 E CB 0.520 30.231 29.700 0.019 0.000 0.917 284 E HN 0.775 nan 8.360 nan 0.000 0.491 285 R N -0.445 120.025 120.500 -0.049 0.000 2.825 285 R HA 0.271 4.611 4.340 -0.000 0.000 0.274 285 R C -1.272 174.941 176.300 -0.143 0.000 1.026 285 R CA -0.726 55.315 56.100 -0.098 0.000 0.867 285 R CB 0.468 30.704 30.300 -0.108 0.000 1.268 285 R HN -0.058 nan 8.270 nan 0.000 0.491 286 V N -0.609 119.204 119.914 -0.169 0.000 2.630 286 V HA 0.747 4.867 4.120 -0.000 0.000 0.305 286 V C -0.029 175.920 176.094 -0.241 0.000 1.046 286 V CA -0.881 61.278 62.300 -0.234 0.000 0.934 286 V CB 1.781 33.443 31.823 -0.269 0.000 1.003 286 V HN 0.499 nan 8.190 nan 0.000 0.451 287 V N 4.514 124.257 119.914 -0.284 0.000 2.427 287 V HA 0.518 4.638 4.120 -0.000 0.000 0.286 287 V C 0.494 176.516 176.094 -0.121 0.000 1.034 287 V CA -0.549 61.613 62.300 -0.229 0.000 0.893 287 V CB 1.207 32.881 31.823 -0.248 0.000 0.982 287 V HN 0.954 nan 8.190 nan 0.000 0.452 288 R N 3.185 123.648 120.500 -0.062 0.000 2.500 288 R HA 0.367 4.707 4.340 -0.000 0.000 0.277 288 R C 0.130 176.454 176.300 0.041 0.000 1.026 288 R CA -0.679 55.460 56.100 0.064 0.000 1.058 288 R CB 0.755 31.096 30.300 0.068 0.000 1.078 288 R HN 0.874 nan 8.270 nan 0.000 0.509 289 N N 0.808 119.555 118.700 0.078 0.000 2.347 289 N HA 0.044 4.784 4.740 -0.000 0.000 0.253 289 N C 0.414 175.927 175.510 0.005 0.000 1.274 289 N CA -0.037 53.032 53.050 0.031 0.000 0.941 289 N CB 0.549 39.055 38.487 0.031 0.000 1.200 289 N HN 0.566 nan 8.380 nan 0.000 0.514 290 A N 0.255 123.070 122.820 -0.008 0.000 1.969 290 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 290 A C 2.226 179.788 177.584 -0.037 0.000 1.169 290 A CA 0.757 52.781 52.037 -0.021 0.000 0.635 290 A CB -0.861 18.129 19.000 -0.017 0.000 0.810 290 A HN 0.652 nan 8.150 nan 0.000 0.445 291 L N -1.119 120.076 121.223 -0.047 0.000 2.265 291 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 291 L C 0.352 177.145 176.870 -0.127 0.000 1.117 291 L CA 0.577 55.371 54.840 -0.076 0.000 0.782 291 L CB -0.539 41.472 42.059 -0.080 0.000 0.914 291 L HN 0.430 nan 8.230 nan 0.000 0.441 292 N N -0.356 118.264 118.700 -0.133 0.000 2.758 292 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 292 N C 0.781 175.826 175.510 -0.776 0.000 1.076 292 N CA 1.013 53.913 53.050 -0.250 0.000 0.696 292 N CB -1.187 37.225 38.487 -0.124 0.000 0.979 292 N HN 0.531 nan 8.380 nan 0.000 0.550 293 S N -1.987 113.357 115.700 -0.593 0.000 2.666 293 S HA 0.366 4.836 4.470 -0.000 0.000 0.239 293 S C 0.195 174.561 174.600 -0.390 0.000 1.031 293 S CA -0.210 57.633 58.200 -0.594 0.000 1.015 293 S CB 1.511 64.563 63.200 -0.246 0.000 0.981 293 S HN 0.340 nan 8.310 nan 0.000 0.547 294 E N 0.201 120.302 120.200 -0.165 0.000 2.388 294 E HA 0.340 4.690 4.350 -0.000 0.000 0.282 294 E C -1.801 174.991 176.600 0.319 0.000 1.026 294 E CA -0.725 55.792 56.400 0.194 0.000 0.820 294 E CB 1.272 31.043 29.700 0.119 0.000 1.226 294 E HN 0.119 nan 8.360 nan 0.000 0.432 295 I N 2.979 123.691 120.570 0.236 0.000 2.385 295 I HA 0.168 4.338 4.170 -0.000 0.000 0.294 295 I C 0.976 177.045 176.117 -0.079 0.000 0.988 295 I CA 0.088 61.353 61.300 -0.057 0.000 1.265 295 I CB 1.333 39.050 38.000 -0.470 0.000 1.388 295 I HN 0.665 nan 8.210 nan 0.000 0.480 296 E N 2.923 123.072 120.200 -0.085 0.000 2.389 296 E HA 0.083 4.433 4.350 -0.000 0.000 0.199 296 E C 0.196 176.867 176.600 0.117 0.000 0.978 296 E CA 0.376 56.809 56.400 0.056 0.000 0.912 296 E CB 0.797 30.527 29.700 0.051 0.000 0.907 296 E HN 0.728 nan 8.360 nan 0.000 0.494 297 S N -0.261 115.433 115.700 -0.010 0.000 2.595 297 S HA 0.450 4.920 4.470 -0.000 0.000 0.270 297 S C -1.537 173.072 174.600 0.015 0.000 1.145 297 S CA -1.025 57.265 58.200 0.151 0.000 0.825 297 S CB 1.392 64.729 63.200 0.228 0.000 1.107 297 S HN 0.008 nan 8.310 nan 0.000 0.461 298 L N 2.226 123.591 121.223 0.237 0.000 2.287 298 L HA 0.545 4.885 4.340 -0.000 0.000 0.287 298 L C -0.737 176.255 176.870 0.202 0.000 1.022 298 L CA -0.113 54.809 54.840 0.136 0.000 0.814 298 L CB 0.640 42.799 42.059 0.168 0.000 1.217 298 L HN 0.897 nan 8.230 nan 0.000 0.420 299 H N 6.337 125.369 119.070 -0.062 0.000 2.604 299 H HA 0.491 5.047 4.556 -0.000 0.000 0.306 299 H C -0.267 175.011 175.328 -0.084 0.000 1.075 299 H CA -0.603 55.412 56.048 -0.055 0.000 1.357 299 H CB 1.263 31.000 29.762 -0.042 0.000 1.426 299 H HN 0.681 nan 8.280 nan 0.000 0.470 300 I N 0.166 120.736 120.570 -0.000 0.000 2.846 300 I HA 0.410 4.579 4.170 -0.000 0.000 0.307 300 I C -0.841 175.326 176.117 0.084 0.000 1.053 300 I CA -0.934 60.343 61.300 -0.038 0.000 1.050 300 I CB 2.912 40.773 38.000 -0.233 0.000 1.239 300 I HN 0.588 nan 8.210 nan 0.000 0.439 301 H N 3.268 122.324 119.070 -0.023 0.000 2.658 301 H HA 0.263 4.819 4.556 -0.000 0.000 0.337 301 H C -1.655 173.702 175.328 0.049 0.000 1.009 301 H CA -0.640 55.410 56.048 0.002 0.000 1.231 301 H CB 1.789 31.553 29.762 0.003 0.000 1.508 301 H HN 0.821 nan 8.280 nan 0.000 0.517 302 D N 5.474 125.807 120.400 -0.112 0.000 2.325 302 D HA 0.025 4.665 4.640 -0.000 0.000 0.251 302 D C 0.923 177.017 176.300 -0.344 0.000 1.196 302 D CA -0.269 53.666 54.000 -0.109 0.000 0.866 302 D CB 0.977 41.848 40.800 0.118 0.000 1.101 302 D HN 0.645 nan 8.370 nan 0.000 0.476 303 L N 3.804 124.872 121.223 -0.258 0.000 2.217 303 L HA -0.103 4.237 4.340 -0.000 0.000 0.211 303 L C 1.904 178.722 176.870 -0.087 0.000 1.107 303 L CA 0.269 54.976 54.840 -0.222 0.000 0.783 303 L CB -0.171 41.863 42.059 -0.042 0.000 0.919 303 L HN 0.536 nan 8.230 nan 0.000 0.442 304 I N -0.261 120.290 120.570 -0.032 0.000 2.235 304 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 304 I C 2.726 178.850 176.117 0.013 0.000 1.085 304 I CA 1.766 63.071 61.300 0.008 0.000 1.378 304 I CB -1.215 36.804 38.000 0.032 0.000 1.076 304 I HN 0.293 nan 8.210 nan 0.000 0.415 305 S N 0.275 115.988 115.700 0.022 0.000 2.496 305 S HA 0.134 4.604 4.470 -0.000 0.000 0.224 305 S C 1.804 176.420 174.600 0.025 0.000 0.996 305 S CA 0.670 58.891 58.200 0.036 0.000 0.927 305 S CB 0.071 63.315 63.200 0.073 0.000 0.774 305 S HN 0.608 nan 8.310 nan 0.000 0.524 306 G N 1.037 109.836 108.800 -0.001 0.000 2.179 306 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 306 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 306 G C -0.411 174.570 174.900 0.137 0.000 0.977 306 G CA 0.202 45.358 45.100 0.093 0.000 0.641 306 G HN 0.561 nan 8.290 nan 0.000 0.533 307 D N 0.359 120.767 120.400 0.013 0.000 2.341 307 D HA 0.494 5.134 4.640 -0.000 0.000 0.245 307 D C 0.972 177.140 176.300 -0.221 0.000 1.106 307 D CA 0.041 53.934 54.000 -0.179 0.000 0.905 307 D CB 0.633 41.186 40.800 -0.411 0.000 1.202 307 D HN 0.350 nan 8.370 nan 0.000 0.426 308 R N 1.122 121.385 120.500 -0.395 0.000 2.604 308 R HA 0.616 4.956 4.340 -0.000 0.000 0.287 308 R C -0.693 175.223 176.300 -0.641 0.000 0.970 308 R CA -0.618 55.285 56.100 -0.329 0.000 0.946 308 R CB 1.143 31.328 30.300 -0.190 0.000 1.127 308 R HN 0.298 nan 8.270 nan 0.000 0.473 309 F N -0.256 119.616 119.950 -0.130 0.000 2.626 309 F HA 0.307 4.833 4.527 -0.000 0.000 0.311 309 F C -0.000 175.649 175.800 -0.251 0.000 1.088 309 F CA -0.892 57.010 58.000 -0.163 0.000 0.949 309 F CB 1.977 40.903 39.000 -0.124 0.000 1.322 309 F HN 0.290 nan 8.300 nan 0.000 0.461 310 E N 2.241 122.423 120.200 -0.029 0.000 2.156 310 E HA 0.483 4.833 4.350 -0.000 0.000 0.279 310 E C -1.103 175.550 176.600 0.088 0.000 0.965 310 E CA -0.531 55.846 56.400 -0.039 0.000 0.789 310 E CB 1.221 30.888 29.700 -0.054 0.000 1.098 310 E HN 0.275 nan 8.360 nan 0.000 0.397 311 I N 3.415 124.054 120.570 0.115 0.000 2.412 311 I HA 0.308 4.478 4.170 -0.000 0.000 0.296 311 I C 0.233 176.482 176.117 0.221 0.000 0.987 311 I CA -0.719 60.664 61.300 0.138 0.000 1.180 311 I CB 1.323 39.376 38.000 0.088 0.000 1.340 311 I HN 0.312 nan 8.210 nan 0.000 0.455 312 K N 4.238 124.754 120.400 0.193 0.000 2.123 312 K HA 0.835 5.155 4.320 -0.000 0.000 0.259 312 K C -1.066 175.593 176.600 0.097 0.000 0.960 312 K CA -0.321 56.081 56.287 0.192 0.000 0.872 312 K CB 2.331 34.915 32.500 0.140 0.000 1.079 312 K HN 0.858 nan 8.250 nan 0.000 0.440 313 A N 2.567 125.365 122.820 -0.037 0.000 2.606 313 A HA 0.327 4.647 4.320 -0.000 0.000 0.293 313 A C -0.360 177.089 177.584 -0.226 0.000 1.082 313 A CA -0.590 51.278 52.037 -0.282 0.000 0.685 313 A CB 1.058 19.594 19.000 -0.773 0.000 1.284 313 A HN 0.694 nan 8.150 nan 0.000 0.408 314 D N -0.395 119.910 120.400 -0.157 0.000 2.162 314 D HA 0.136 4.776 4.640 -0.000 0.000 0.203 314 D C 0.291 176.472 176.300 -0.198 0.000 0.967 314 D CA 1.749 55.724 54.000 -0.041 0.000 0.840 314 D CB 0.292 41.109 40.800 0.027 0.000 0.972 314 D HN 0.252 nan 8.370 nan 0.000 0.482 315 V N 0.562 120.206 119.914 -0.450 0.000 2.686 315 V HA 0.282 4.402 4.120 -0.000 0.000 0.306 315 V C -1.386 174.438 176.094 -0.450 0.000 1.065 315 V CA -0.889 61.140 62.300 -0.451 0.000 0.894 315 V CB 1.942 33.347 31.823 -0.697 0.000 1.004 315 V HN -0.081 nan 8.190 nan 0.000 0.424 316 Y N 2.921 123.191 120.300 -0.051 0.000 2.331 316 Y HA 0.690 5.240 4.550 -0.000 0.000 0.334 316 Y C -0.117 175.739 175.900 -0.073 0.000 0.960 316 Y CA -0.969 57.099 58.100 -0.054 0.000 1.130 316 Y CB 2.130 40.567 38.460 -0.038 0.000 1.164 316 Y HN 0.352 nan 8.280 nan 0.000 0.458 317 V N 5.469 125.341 119.914 -0.070 0.000 2.409 317 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 317 V C -0.368 175.593 176.094 -0.221 0.000 1.020 317 V CA -0.888 61.259 62.300 -0.255 0.000 0.848 317 V CB 1.525 33.002 31.823 -0.577 0.000 0.990 317 V HN 0.600 nan 8.190 nan 0.000 0.430 318 L N 5.412 126.502 121.223 -0.221 0.000 2.264 318 L HA 0.503 4.843 4.340 -0.000 0.000 0.287 318 L C 0.393 177.159 176.870 -0.173 0.000 1.039 318 L CA -0.138 54.593 54.840 -0.182 0.000 0.829 318 L CB 1.333 43.266 42.059 -0.210 0.000 1.211 318 L HN 0.810 nan 8.230 nan 0.000 0.427 319 T N -1.449 113.037 114.554 -0.112 0.000 3.532 319 T HA 0.414 4.764 4.350 -0.000 0.000 0.241 319 T C 0.585 175.290 174.700 0.009 0.000 1.238 319 T CA -0.236 61.841 62.100 -0.039 0.000 1.405 319 T CB 1.038 69.888 68.868 -0.031 0.000 0.971 319 T HN 0.528 nan 8.240 nan 0.000 0.640 320 A N 0.806 123.641 122.820 0.024 0.000 2.423 320 A HA 0.798 5.118 4.320 -0.000 0.000 0.246 320 A C 1.369 179.030 177.584 0.127 0.000 1.278 320 A CA 0.013 52.086 52.037 0.060 0.000 0.903 320 A CB -0.731 18.301 19.000 0.054 0.000 0.997 320 A HN 1.748 nan 8.150 nan 0.000 0.510 321 G N -2.179 106.698 108.800 0.128 0.000 2.746 321 G HA2 0.229 4.189 3.960 -0.000 0.000 0.685 321 G HA3 0.229 4.189 3.960 -0.000 0.000 0.685 321 G C 0.825 175.840 174.900 0.192 0.000 1.350 321 G CA -0.296 44.898 45.100 0.158 0.000 0.837 321 G HN 1.312 nan 8.290 nan 0.000 0.564 322 A N -0.531 122.398 122.820 0.182 0.000 1.902 322 A HA 0.198 4.518 4.320 -0.000 0.000 0.217 322 A C 2.716 180.409 177.584 0.181 0.000 1.181 322 A CA 3.256 55.406 52.037 0.187 0.000 0.623 322 A CB -0.483 18.600 19.000 0.139 0.000 0.818 322 A HN 1.620 nan 8.150 nan 0.000 0.443 323 V N -0.704 119.276 119.914 0.110 0.000 2.307 323 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 323 V C 2.236 178.320 176.094 -0.016 0.000 1.045 323 V CA 2.336 64.647 62.300 0.018 0.000 1.024 323 V CB -1.034 30.696 31.823 -0.154 0.000 0.651 323 V HN 0.741 nan 8.190 nan 0.000 0.449 324 H N -0.599 118.556 119.070 0.141 0.000 2.535 324 H HA 0.052 4.608 4.556 -0.000 0.000 0.273 324 H C 2.181 177.509 175.328 0.001 0.000 0.983 324 H CA 0.631 56.718 56.048 0.066 0.000 1.238 324 H CB 0.050 29.832 29.762 0.033 0.000 1.412 324 H HN 0.306 nan 8.280 nan 0.000 0.562 325 N N -0.220 118.543 118.700 0.105 0.000 2.106 325 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 325 N C 1.702 177.183 175.510 -0.049 0.000 1.029 325 N CA 1.647 54.687 53.050 -0.016 0.000 0.848 325 N CB -0.395 38.054 38.487 -0.064 0.000 1.007 325 N HN 0.280 nan 8.380 nan 0.000 0.423 326 T N 0.871 115.470 114.554 0.074 0.000 2.746 326 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 326 T C 1.819 176.379 174.700 -0.233 0.000 1.039 326 T CA 1.093 63.237 62.100 0.074 0.000 1.142 326 T CB -0.177 68.875 68.868 0.306 0.000 0.866 326 T HN 0.353 nan 8.240 nan 0.000 0.444 327 Q N 0.106 119.669 119.800 -0.395 0.000 2.084 327 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 327 Q C 2.297 178.022 176.000 -0.458 0.000 0.978 327 Q CA 1.130 56.388 55.803 -0.908 0.000 0.844 327 Q CB -0.207 28.311 28.738 -0.366 0.000 0.898 327 Q HN 0.390 nan 8.270 nan 0.000 0.426 328 L N 0.513 121.598 121.223 -0.229 0.000 2.109 328 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 328 L C 1.905 178.674 176.870 -0.168 0.000 1.086 328 L CA 1.463 56.205 54.840 -0.163 0.000 0.760 328 L CB -0.634 41.354 42.059 -0.118 0.000 0.910 328 L HN 0.281 nan 8.230 nan 0.000 0.437 329 L N -1.529 119.574 121.223 -0.200 0.000 2.017 329 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 329 L C 2.454 179.317 176.870 -0.012 0.000 1.073 329 L CA 1.079 55.817 54.840 -0.169 0.000 0.745 329 L CB -0.744 41.140 42.059 -0.291 0.000 0.894 329 L HN 0.067 nan 8.230 nan 0.000 0.432 330 V N 0.010 119.856 119.914 -0.114 0.000 2.490 330 V HA -0.254 3.865 4.120 -0.000 0.000 0.250 330 V C 2.082 178.138 176.094 -0.064 0.000 1.061 330 V CA 1.858 64.119 62.300 -0.065 0.000 1.064 330 V CB -0.732 30.989 31.823 -0.170 0.000 0.670 330 V HN 0.485 nan 8.190 nan 0.000 0.461 331 N N -0.015 118.612 118.700 -0.122 0.000 2.512 331 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 331 N C 1.414 176.894 175.510 -0.049 0.000 1.073 331 N CA 0.934 53.935 53.050 -0.081 0.000 0.911 331 N CB -0.010 38.418 38.487 -0.099 0.000 0.964 331 N HN 0.382 nan 8.380 nan 0.000 0.447 332 S N -1.159 114.534 115.700 -0.011 0.000 2.575 332 S HA 0.321 4.791 4.470 -0.000 0.000 0.237 332 S C 0.877 175.456 174.600 -0.035 0.000 0.975 332 S CA 0.123 58.325 58.200 0.004 0.000 0.960 332 S CB 0.360 63.616 63.200 0.093 0.000 0.822 332 S HN 0.490 nan 8.310 nan 0.000 0.472 333 G N 1.345 110.120 108.800 -0.042 0.000 2.160 333 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.251 333 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.251 333 G C -0.135 174.643 174.900 -0.204 0.000 1.008 333 G CA -0.173 44.856 45.100 -0.119 0.000 0.724 333 G HN 0.444 nan 8.290 nan 0.000 0.514 334 F N 0.327 120.235 119.950 -0.070 0.000 2.432 334 F HA 0.631 5.158 4.527 -0.000 0.000 0.329 334 F C 1.395 177.191 175.800 -0.007 0.000 1.076 334 F CA 0.601 58.572 58.000 -0.048 0.000 1.018 334 F CB 1.375 40.317 39.000 -0.097 0.000 1.201 334 F HN 0.770 nan 8.300 nan 0.000 0.489 335 G N 1.821 110.750 108.800 0.215 0.000 2.575 335 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 335 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 335 G C -0.901 174.064 174.900 0.109 0.000 1.264 335 G CA -0.304 44.893 45.100 0.161 0.000 0.935 335 G HN 0.802 nan 8.290 nan 0.000 0.568 336 Q N -1.119 118.749 119.800 0.113 0.000 2.356 336 Q HA 0.655 4.995 4.340 -0.000 0.000 0.270 336 Q C -0.883 175.186 176.000 0.115 0.000 1.058 336 Q CA -1.021 54.829 55.803 0.078 0.000 0.802 336 Q CB 1.790 30.552 28.738 0.042 0.000 1.303 336 Q HN 0.845 nan 8.270 nan 0.000 0.444 337 L N 3.377 124.655 121.223 0.092 0.000 2.334 337 L HA 0.768 5.108 4.340 -0.000 0.000 0.277 337 L C 0.244 177.185 176.870 0.118 0.000 1.075 337 L CA 1.522 56.443 54.840 0.134 0.000 0.804 337 L CB 1.107 43.222 42.059 0.094 0.000 1.174 337 L HN 0.835 nan 8.230 nan 0.000 0.438 338 G N 3.726 112.656 108.800 0.217 0.000 2.698 338 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.225 338 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.225 338 G C -0.527 174.255 174.900 -0.198 0.000 1.345 338 G CA -0.136 45.053 45.100 0.148 0.000 0.871 338 G HN 0.940 nan 8.290 nan 0.000 0.540 339 R N 1.036 121.234 120.500 -0.503 0.000 2.421 339 R HA 0.401 4.741 4.340 -0.000 0.000 0.305 339 R C -1.855 174.023 176.300 -0.702 0.000 1.039 339 R CA -0.689 54.711 56.100 -1.167 0.000 1.003 339 R CB 0.038 29.916 30.300 -0.703 0.000 0.959 339 R HN 0.372 nan 8.270 nan 0.000 0.427 340 P HA -0.029 nan 4.420 nan 0.000 0.267 340 P C -1.325 175.817 177.300 -0.265 0.000 1.200 340 P CA 0.147 63.011 63.100 -0.394 0.000 0.772 340 P CB 0.443 31.930 31.700 -0.355 0.000 0.855 341 N N 2.485 121.090 118.700 -0.158 0.000 2.571 341 N HA 0.171 4.911 4.740 -0.000 0.000 0.286 341 N C -2.080 173.387 175.510 -0.072 0.000 1.138 341 N CA -1.748 51.234 53.050 -0.114 0.000 0.859 341 N CB 1.457 39.883 38.487 -0.102 0.000 1.414 341 N HN 0.030 nan 8.380 nan 0.000 0.529 342 P HA -0.150 nan 4.420 nan 0.000 0.215 342 P C 1.051 178.333 177.300 -0.030 0.000 1.157 342 P CA 1.171 64.246 63.100 -0.041 0.000 0.874 342 P CB 0.065 31.741 31.700 -0.039 0.000 0.790 343 A N -1.196 121.604 122.820 -0.034 0.000 2.272 343 A HA -0.115 4.205 4.320 -0.000 0.000 0.213 343 A C 0.916 178.486 177.584 -0.024 0.000 1.183 343 A CA 0.890 52.912 52.037 -0.026 0.000 0.719 343 A CB -1.074 17.910 19.000 -0.028 0.000 0.771 343 A HN 0.229 nan 8.150 nan 0.000 0.484 344 N N 0.856 119.540 118.700 -0.026 0.000 2.727 344 N HA 0.207 4.947 4.740 -0.000 0.000 0.252 344 N C -3.240 172.262 175.510 -0.013 0.000 1.283 344 N CA -0.960 52.078 53.050 -0.020 0.000 0.782 344 N CB 1.556 40.029 38.487 -0.024 0.000 1.199 344 N HN 0.129 nan 8.380 nan 0.000 0.520 345 P HA 0.072 nan 4.420 nan 0.000 0.264 345 P C -2.498 174.806 177.300 0.007 0.000 1.183 345 P CA -0.501 62.601 63.100 0.004 0.000 0.763 345 P CB -0.118 31.586 31.700 0.006 0.000 0.807 346 P HA 0.112 nan 4.420 nan 0.000 0.272 346 P C 0.967 178.279 177.300 0.021 0.000 1.223 346 P CA -0.100 63.014 63.100 0.023 0.000 0.784 346 P CB 0.989 32.718 31.700 0.048 0.000 0.923 347 E N 0.779 120.983 120.200 0.005 0.000 2.047 347 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 347 E C 0.003 176.618 176.600 0.024 0.000 0.987 347 E CA 0.936 57.336 56.400 -0.000 0.000 0.799 347 E CB 0.001 29.683 29.700 -0.029 0.000 0.752 347 E HN 0.383 nan 8.360 nan 0.000 0.449 348 L N 0.358 121.603 121.223 0.036 0.000 2.354 348 L HA 0.333 4.673 4.340 -0.000 0.000 0.269 348 L C -0.280 176.708 176.870 0.196 0.000 1.005 348 L CA -0.934 53.977 54.840 0.118 0.000 0.819 348 L CB 1.939 44.051 42.059 0.089 0.000 1.311 348 L HN 0.062 nan 8.230 nan 0.000 0.423 349 L N 2.484 123.844 121.223 0.227 0.000 3.721 349 L HA -0.168 4.172 4.340 -0.000 0.000 0.625 349 L C -1.562 175.408 176.870 0.168 0.000 1.186 349 L CA -0.484 54.485 54.840 0.215 0.000 0.961 349 L CB -0.719 41.496 42.059 0.261 0.000 1.418 349 L HN 0.603 nan 8.230 nan 0.000 0.838 350 P HA -0.073 nan 4.420 nan 0.000 0.226 350 P C 1.185 178.570 177.300 0.141 0.000 1.153 350 P CA 0.856 64.023 63.100 0.111 0.000 0.777 350 P CB 0.377 32.125 31.700 0.080 0.000 0.794 351 S N -0.573 115.230 115.700 0.172 0.000 2.575 351 S HA 0.081 4.551 4.470 -0.000 0.000 0.215 351 S C 0.807 175.561 174.600 0.256 0.000 0.966 351 S CA -0.403 57.948 58.200 0.252 0.000 0.911 351 S CB -0.623 62.727 63.200 0.250 0.000 0.780 351 S HN 0.074 nan 8.310 nan 0.000 0.514 352 L N 2.065 123.415 121.223 0.211 0.000 2.453 352 L HA 0.466 4.806 4.340 -0.000 0.000 0.272 352 L C 1.173 178.177 176.870 0.223 0.000 1.182 352 L CA 1.136 56.105 54.840 0.214 0.000 0.858 352 L CB -0.095 42.077 42.059 0.189 0.000 1.120 352 L HN 0.324 nan 8.230 nan 0.000 0.474 353 G N 2.448 111.392 108.800 0.239 0.000 2.189 353 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.267 353 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.267 353 G C 0.460 175.478 174.900 0.197 0.000 0.975 353 G CA 0.438 45.679 45.100 0.235 0.000 0.644 353 G HN 0.824 nan 8.290 nan 0.000 0.537 354 S N -1.520 114.300 115.700 0.199 0.000 2.638 354 S HA 0.648 5.118 4.470 -0.000 0.000 0.298 354 S C 0.317 175.052 174.600 0.225 0.000 1.111 354 S CA 0.113 58.371 58.200 0.097 0.000 1.027 354 S CB 0.868 64.043 63.200 -0.041 0.000 1.064 354 S HN 0.910 nan 8.310 nan 0.000 0.525 355 Y N -0.753 119.611 120.300 0.107 0.000 4.134 355 Y HA -0.186 4.364 4.550 -0.000 0.000 0.234 355 Y C 0.464 176.440 175.900 0.127 0.000 1.200 355 Y CA 0.142 58.302 58.100 0.099 0.000 1.958 355 Y CB -2.132 36.381 38.460 0.089 0.000 1.605 355 Y HN 0.625 nan 8.280 nan 0.000 0.690 356 I N -0.097 120.622 120.570 0.247 0.000 2.696 356 I HA 0.523 4.693 4.170 -0.000 0.000 0.284 356 I C 0.613 176.901 176.117 0.285 0.000 1.129 356 I CA 0.409 61.861 61.300 0.253 0.000 1.410 356 I CB 1.447 39.603 38.000 0.260 0.000 1.399 356 I HN 0.217 nan 8.210 nan 0.000 0.579 357 T N 1.810 116.496 114.554 0.220 0.000 2.861 357 T HA 0.636 4.986 4.350 -0.000 0.000 0.287 357 T C -0.676 174.072 174.700 0.080 0.000 1.003 357 T CA -0.675 61.540 62.100 0.190 0.000 0.977 357 T CB 2.098 71.004 68.868 0.064 0.000 0.996 357 T HN 0.826 nan 8.240 nan 0.000 0.448 358 E N 1.637 121.878 120.200 0.068 0.000 2.343 358 E HA 0.409 4.759 4.350 -0.000 0.000 0.270 358 E C -0.975 175.753 176.600 0.213 0.000 0.895 358 E CA -0.631 55.757 56.400 -0.020 0.000 0.767 358 E CB 2.017 31.489 29.700 -0.380 0.000 1.248 358 E HN 0.717 nan 8.360 nan 0.000 0.440 359 Q N 0.940 120.867 119.800 0.212 0.000 2.299 359 Q HA 0.431 4.771 4.340 -0.000 0.000 0.246 359 Q C -0.446 175.737 176.000 0.306 0.000 0.935 359 Q CA -0.497 55.471 55.803 0.276 0.000 0.887 359 Q CB 1.376 30.308 28.738 0.324 0.000 1.223 359 Q HN 0.459 nan 8.270 nan 0.000 0.439 360 S N 1.399 117.186 115.700 0.145 0.000 2.562 360 S HA 0.251 4.721 4.470 -0.000 0.000 0.281 360 S C -0.756 173.851 174.600 0.011 0.000 1.333 360 S CA -0.298 57.846 58.200 -0.094 0.000 1.052 360 S CB 0.260 63.328 63.200 -0.220 0.000 0.884 360 S HN 0.352 nan 8.310 nan 0.000 0.506 361 L N 5.262 126.452 121.223 -0.055 0.000 2.439 361 L HA 0.659 4.999 4.340 -0.000 0.000 0.270 361 L C -0.836 175.855 176.870 -0.298 0.000 0.972 361 L CA -0.644 54.062 54.840 -0.224 0.000 0.836 361 L CB 1.566 43.454 42.059 -0.285 0.000 1.255 361 L HN 0.436 nan 8.230 nan 0.000 0.404 362 V N 2.099 121.777 119.914 -0.392 0.000 2.667 362 V HA 0.764 4.884 4.120 -0.000 0.000 0.308 362 V C -0.946 175.008 176.094 -0.233 0.000 1.048 362 V CA -0.645 61.362 62.300 -0.489 0.000 0.928 362 V CB 1.632 33.005 31.823 -0.751 0.000 1.004 362 V HN 0.783 nan 8.190 nan 0.000 0.444 363 F N 4.989 124.713 119.950 -0.377 0.000 2.596 363 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 363 F C -0.401 175.284 175.800 -0.192 0.000 1.116 363 F CA -0.443 57.435 58.000 -0.204 0.000 0.957 363 F CB 1.413 40.328 39.000 -0.142 0.000 1.250 363 F HN 1.181 nan 8.300 nan 0.000 0.444 364 C N 3.015 121.843 119.300 -0.785 0.000 3.332 364 C HA 0.845 5.305 4.460 -0.000 0.000 0.329 364 C C -1.598 173.016 174.990 -0.628 0.000 1.434 364 C CA -0.669 57.843 59.018 -0.843 0.000 1.314 364 C CB 1.731 29.139 27.740 -0.553 0.000 1.664 364 C HN 0.949 nan 8.230 nan 0.000 0.457 365 Q N 0.559 120.156 119.800 -0.339 0.000 2.387 365 Q HA 0.757 5.097 4.340 -0.000 0.000 0.273 365 Q C -0.539 175.542 176.000 0.135 0.000 1.089 365 Q CA -0.240 55.576 55.803 0.022 0.000 0.824 365 Q CB 2.688 31.427 28.738 0.002 0.000 1.367 365 Q HN 0.940 nan 8.270 nan 0.000 0.443 366 T N -2.534 112.175 114.554 0.258 0.000 2.924 366 T HA 0.697 5.047 4.350 -0.000 0.000 0.291 366 T C -0.462 174.319 174.700 0.135 0.000 1.045 366 T CA -0.722 61.490 62.100 0.187 0.000 1.015 366 T CB 1.221 70.229 68.868 0.233 0.000 1.103 366 T HN 0.263 nan 8.240 nan 0.000 0.496 367 V N 2.779 122.736 119.914 0.070 0.000 2.398 367 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 367 V C 0.384 176.502 176.094 0.039 0.000 1.026 367 V CA -0.938 61.392 62.300 0.050 0.000 0.868 367 V CB 1.127 32.967 31.823 0.028 0.000 0.982 367 V HN 1.030 nan 8.190 nan 0.000 0.443 368 M N 4.810 124.439 119.600 0.048 0.000 2.251 368 M HA 0.123 4.603 4.480 -0.000 0.000 0.343 368 M C 0.874 177.187 176.300 0.022 0.000 1.245 368 M CA 0.640 55.968 55.300 0.046 0.000 1.061 368 M CB 0.647 33.271 32.600 0.041 0.000 1.723 368 M HN 0.943 nan 8.290 nan 0.000 0.449 369 S N 2.672 118.383 115.700 0.017 0.000 2.563 369 S HA 0.014 4.484 4.470 -0.000 0.000 0.284 369 S C 1.003 175.609 174.600 0.010 0.000 1.331 369 S CA -0.012 58.188 58.200 0.001 0.000 1.047 369 S CB 0.398 63.595 63.200 -0.006 0.000 0.859 369 S HN 0.826 nan 8.310 nan 0.000 0.514 370 T N 1.972 116.528 114.554 0.003 0.000 2.699 370 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 370 T C 1.603 176.313 174.700 0.017 0.000 1.036 370 T CA 1.982 64.088 62.100 0.010 0.000 1.147 370 T CB -0.551 68.320 68.868 0.004 0.000 0.862 370 T HN 0.853 nan 8.240 nan 0.000 0.446 371 E N 0.381 120.589 120.200 0.013 0.000 2.058 371 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 371 E C 2.168 178.790 176.600 0.037 0.000 0.997 371 E CA 0.914 57.325 56.400 0.018 0.000 0.801 371 E CB -0.220 29.484 29.700 0.007 0.000 0.746 371 E HN 0.413 nan 8.360 nan 0.000 0.450 372 L N 0.506 121.753 121.223 0.040 0.000 2.017 372 L HA -0.223 4.116 4.340 -0.000 0.000 0.208 372 L C 2.393 179.307 176.870 0.074 0.000 1.073 372 L CA 0.610 55.489 54.840 0.065 0.000 0.745 372 L CB -0.391 41.706 42.059 0.062 0.000 0.894 372 L HN 0.294 nan 8.230 nan 0.000 0.432 373 I N 0.028 120.627 120.570 0.048 0.000 2.163 373 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 373 I C 2.224 178.374 176.117 0.056 0.000 1.085 373 I CA 1.597 62.921 61.300 0.039 0.000 1.347 373 I CB -1.265 36.748 38.000 0.022 0.000 1.044 373 I HN 0.310 nan 8.210 nan 0.000 0.408 374 D N 0.599 121.031 120.400 0.054 0.000 2.178 374 D HA -0.141 4.498 4.640 -0.000 0.000 0.201 374 D C 2.357 178.712 176.300 0.091 0.000 0.980 374 D CA 1.649 55.685 54.000 0.061 0.000 0.842 374 D CB -0.166 40.661 40.800 0.045 0.000 0.948 374 D HN 0.405 nan 8.370 nan 0.000 0.472 375 S N 0.163 115.929 115.700 0.110 0.000 2.419 375 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 375 S C 2.170 176.943 174.600 0.288 0.000 1.019 375 S CA 0.865 59.171 58.200 0.177 0.000 0.982 375 S CB -0.569 62.732 63.200 0.168 0.000 0.789 375 S HN 0.093 nan 8.310 nan 0.000 0.490 376 V N 2.973 123.025 119.914 0.231 0.000 2.469 376 V HA -0.156 3.964 4.120 -0.000 0.000 0.251 376 V C 2.241 178.505 176.094 0.283 0.000 1.064 376 V CA 2.129 64.594 62.300 0.276 0.000 1.066 376 V CB -0.791 31.070 31.823 0.065 0.000 0.667 376 V HN 0.825 nan 8.190 nan 0.000 0.461 377 K N 0.196 120.704 120.400 0.180 0.000 2.440 377 K HA 0.172 4.491 4.320 -0.000 0.000 0.206 377 K C 1.658 178.331 176.600 0.121 0.000 1.025 377 K CA 0.683 57.055 56.287 0.142 0.000 1.135 377 K CB 0.193 32.755 32.500 0.103 0.000 0.856 377 K HN 0.429 nan 8.250 nan 0.000 0.502 378 S N 1.228 117.013 115.700 0.142 0.000 2.383 378 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 378 S C 1.113 175.735 174.600 0.037 0.000 1.030 378 S CA 1.375 59.619 58.200 0.073 0.000 1.002 378 S CB -0.312 62.911 63.200 0.040 0.000 0.829 378 S HN 0.299 nan 8.310 nan 0.000 0.467 379 D N 0.875 121.302 120.400 0.046 0.000 2.349 379 D HA 0.182 4.822 4.640 -0.000 0.000 0.224 379 D C 0.124 176.466 176.300 0.069 0.000 1.029 379 D CA 0.364 54.378 54.000 0.023 0.000 0.879 379 D CB -0.146 40.647 40.800 -0.011 0.000 0.906 379 D HN 0.345 nan 8.370 nan 0.000 0.528 380 M N 0.728 120.372 119.600 0.073 0.000 2.211 380 M HA 0.173 4.653 4.480 -0.000 0.000 0.356 380 M C 0.266 176.599 176.300 0.055 0.000 1.216 380 M CA -0.063 55.289 55.300 0.086 0.000 1.134 380 M CB 0.849 33.495 32.600 0.077 0.000 1.564 380 M HN -0.289 nan 8.290 nan 0.000 0.463 381 T N 4.565 119.146 114.554 0.045 0.000 2.837 381 T HA 0.690 5.040 4.350 -0.000 0.000 0.285 381 T C 0.225 174.905 174.700 -0.033 0.000 0.984 381 T CA -0.427 61.677 62.100 0.007 0.000 1.049 381 T CB 0.971 69.838 68.868 -0.002 0.000 0.947 381 T HN 0.460 nan 8.240 nan 0.000 0.472 382 I N 3.360 123.905 120.570 -0.042 0.000 2.418 382 I HA 0.397 4.567 4.170 -0.000 0.000 0.287 382 I C 0.121 176.188 176.117 -0.084 0.000 1.008 382 I CA -0.800 60.438 61.300 -0.103 0.000 1.104 382 I CB 1.450 39.432 38.000 -0.029 0.000 1.264 382 I HN 0.372 nan 8.210 nan 0.000 0.438 383 R N 4.426 124.839 120.500 -0.145 0.000 2.514 383 R HA 0.755 5.095 4.340 -0.000 0.000 0.301 383 R C 0.194 176.477 176.300 -0.029 0.000 0.962 383 R CA -0.583 55.477 56.100 -0.067 0.000 0.882 383 R CB 1.941 32.202 30.300 -0.064 0.000 1.143 383 R HN 0.860 nan 8.270 nan 0.000 0.452 384 G N 1.290 110.128 108.800 0.063 0.000 2.725 384 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 384 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 384 G C -0.600 174.468 174.900 0.279 0.000 1.357 384 G CA -0.439 44.749 45.100 0.148 0.000 0.866 384 G HN 0.674 nan 8.290 nan 0.000 0.548 385 T N -0.450 114.253 114.554 0.248 0.000 2.855 385 T HA 0.691 5.041 4.350 -0.000 0.000 0.281 385 T C -2.744 171.905 174.700 -0.085 0.000 1.007 385 T CA -1.517 60.665 62.100 0.138 0.000 1.009 385 T CB 2.240 71.129 68.868 0.036 0.000 0.983 385 T HN 0.512 nan 8.240 nan 0.000 0.455 386 P HA 0.209 nan 4.420 nan 0.000 0.263 386 P C 1.251 178.301 177.300 -0.417 0.000 1.175 386 P CA 1.388 63.887 63.100 -1.002 0.000 0.761 386 P CB 0.108 31.395 31.700 -0.688 0.000 0.794 387 G N 1.561 110.165 108.800 -0.326 0.000 2.225 387 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 387 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 387 G C 0.098 174.968 174.900 -0.051 0.000 0.988 387 G CA -0.142 44.879 45.100 -0.132 0.000 0.625 387 G HN 0.557 nan 8.290 nan 0.000 0.527 388 E N -0.411 119.777 120.200 -0.020 0.000 2.314 388 E HA 0.553 4.903 4.350 -0.000 0.000 0.262 388 E C 1.286 177.926 176.600 0.067 0.000 1.093 388 E CA -0.764 55.654 56.400 0.030 0.000 0.908 388 E CB 1.205 30.934 29.700 0.049 0.000 1.091 388 E HN 0.056 nan 8.360 nan 0.000 0.425 389 L N 1.810 123.063 121.223 0.050 0.000 2.043 389 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 389 L C 2.042 178.951 176.870 0.064 0.000 1.075 389 L CA 2.391 57.260 54.840 0.047 0.000 0.752 389 L CB -0.612 41.465 42.059 0.031 0.000 0.891 389 L HN 0.764 nan 8.230 nan 0.000 0.432 390 T N -4.353 110.244 114.554 0.072 0.000 3.145 390 T HA 0.040 4.390 4.350 -0.000 0.000 0.255 390 T C 0.462 175.218 174.700 0.093 0.000 1.039 390 T CA -0.502 61.635 62.100 0.062 0.000 0.928 390 T CB -0.855 68.037 68.868 0.040 0.000 1.029 390 T HN 0.149 nan 8.240 nan 0.000 0.554 391 Y N 2.911 123.212 120.300 0.002 0.000 2.721 391 Y HA 0.369 4.919 4.550 -0.000 0.000 0.329 391 Y C 0.281 176.184 175.900 0.006 0.000 1.211 391 Y CA 0.077 58.179 58.100 0.004 0.000 1.512 391 Y CB 0.175 38.636 38.460 0.002 0.000 1.249 391 Y HN 0.312 nan 8.280 nan 0.000 0.549 392 S N 5.095 120.478 115.700 -0.529 0.000 2.546 392 S HA 0.711 5.181 4.470 -0.000 0.000 0.272 392 S C -2.069 172.219 174.600 -0.520 0.000 1.140 392 S CA -0.763 57.190 58.200 -0.411 0.000 0.920 392 S CB 0.939 64.037 63.200 -0.170 0.000 1.083 392 S HN 0.490 nan 8.310 nan 0.000 0.476 393 V N 4.361 124.066 119.914 -0.348 0.000 2.407 393 V HA 0.735 4.855 4.120 -0.000 0.000 0.291 393 V C 0.067 176.135 176.094 -0.043 0.000 1.018 393 V CA -0.361 61.819 62.300 -0.200 0.000 0.842 393 V CB 1.329 33.075 31.823 -0.128 0.000 0.996 393 V HN 1.049 nan 8.190 nan 0.000 0.426 394 T N 1.794 116.347 114.554 -0.002 0.000 2.906 394 T HA 0.869 5.219 4.350 -0.000 0.000 0.295 394 T C -0.973 173.823 174.700 0.159 0.000 1.075 394 T CA -0.721 61.410 62.100 0.052 0.000 1.005 394 T CB 2.351 71.201 68.868 -0.030 0.000 1.136 394 T HN 0.740 nan 8.240 nan 0.000 0.498 395 Y N -1.605 118.691 120.300 -0.007 0.000 2.638 395 Y HA 0.807 5.357 4.550 -0.000 0.000 0.339 395 Y C -0.774 175.122 175.900 -0.007 0.000 1.084 395 Y CA -1.414 56.683 58.100 -0.005 0.000 1.068 395 Y CB 0.921 39.385 38.460 0.008 0.000 1.294 395 Y HN 0.616 nan 8.280 nan 0.000 0.480 396 T N 4.268 118.813 114.554 -0.016 0.000 2.853 396 T HA 0.443 4.793 4.350 -0.000 0.000 0.317 396 T C -2.726 171.957 174.700 -0.029 0.000 1.059 396 T CA -1.240 60.800 62.100 -0.099 0.000 0.954 396 T CB 0.638 69.493 68.868 -0.021 0.000 0.994 396 T HN 0.378 nan 8.240 nan 0.000 0.479 397 P HA 0.402 nan 4.420 nan 0.000 0.274 397 P C 1.130 178.457 177.300 0.046 0.000 1.237 397 P CA 0.319 63.455 63.100 0.060 0.000 0.793 397 P CB 0.554 32.258 31.700 0.008 0.000 0.977 398 G N -0.074 108.769 108.800 0.072 0.000 2.253 398 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.251 398 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.251 398 G C 0.421 175.331 174.900 0.016 0.000 0.998 398 G CA 0.066 45.187 45.100 0.034 0.000 0.621 398 G HN 0.852 nan 8.290 nan 0.000 0.524 399 A N 0.892 123.723 122.820 0.019 0.000 2.454 399 A HA 0.667 4.986 4.320 -0.000 0.000 0.260 399 A C 1.713 179.285 177.584 -0.020 0.000 1.106 399 A CA 1.237 53.274 52.037 -0.001 0.000 0.780 399 A CB 0.403 19.405 19.000 0.003 0.000 1.044 399 A HN 1.658 nan 8.150 nan 0.000 0.498 400 S N 1.980 117.666 115.700 -0.024 0.000 2.442 400 S HA -0.148 4.322 4.470 -0.000 0.000 0.236 400 S C 1.576 176.146 174.600 -0.051 0.000 1.007 400 S CA 1.909 60.088 58.200 -0.036 0.000 0.965 400 S CB -0.581 62.601 63.200 -0.029 0.000 0.773 400 S HN 0.748 nan 8.310 nan 0.000 0.504 401 T N 2.164 116.691 114.554 -0.045 0.000 3.051 401 T HA 0.083 4.433 4.350 -0.000 0.000 0.269 401 T C 0.259 174.909 174.700 -0.084 0.000 1.127 401 T CA 0.357 62.424 62.100 -0.056 0.000 1.107 401 T CB -0.646 68.198 68.868 -0.039 0.000 0.898 401 T HN 0.387 nan 8.240 nan 0.000 0.517 402 N N 1.505 120.151 118.700 -0.091 0.000 2.488 402 N HA 0.229 4.968 4.740 -0.000 0.000 0.274 402 N C 0.734 176.095 175.510 -0.247 0.000 1.111 402 N CA -0.104 52.863 53.050 -0.138 0.000 0.974 402 N CB 1.402 39.834 38.487 -0.092 0.000 1.089 402 N HN 0.001 nan 8.380 nan 0.000 0.465 403 K N 0.775 120.938 120.400 -0.394 0.000 2.296 403 K HA 0.080 4.400 4.320 -0.000 0.000 0.200 403 K C -0.051 176.011 176.600 -0.896 0.000 1.048 403 K CA 1.019 56.922 56.287 -0.640 0.000 0.966 403 K CB 0.084 32.090 32.500 -0.823 0.000 0.754 403 K HN 0.548 nan 8.250 nan 0.000 0.466 404 H N -1.041 117.705 119.070 -0.540 0.000 2.797 404 H HA 0.336 4.892 4.556 -0.000 0.000 0.372 404 H C -2.406 172.564 175.328 -0.597 0.000 1.168 404 H CA -2.607 52.938 56.048 -0.838 0.000 1.163 404 H CB 1.354 30.171 29.762 -1.575 0.000 1.778 404 H HN -0.139 nan 8.280 nan 0.000 0.551 405 P HA 0.061 nan 4.420 nan 0.000 0.277 405 P C 0.242 177.329 177.300 -0.355 0.000 1.271 405 P CA -0.312 62.569 63.100 -0.365 0.000 0.795 405 P CB 1.311 32.796 31.700 -0.359 0.000 1.101 406 D N -0.490 119.833 120.400 -0.128 0.000 2.182 406 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 406 D C 1.856 178.177 176.300 0.035 0.000 0.986 406 D CA 1.326 55.339 54.000 0.020 0.000 0.847 406 D CB -0.449 40.448 40.800 0.163 0.000 0.942 406 D HN 0.581 nan 8.370 nan 0.000 0.467 407 W N 0.030 121.397 121.300 0.112 0.000 2.379 407 W HA -0.127 4.533 4.660 -0.000 0.000 0.307 407 W C 2.033 178.629 176.519 0.128 0.000 1.200 407 W CA 0.137 57.548 57.345 0.109 0.000 1.297 407 W CB -1.486 28.033 29.460 0.098 0.000 1.140 407 W HN 0.040 nan 8.180 nan 0.000 0.507 408 W N 3.619 124.483 121.300 -0.727 0.000 2.317 408 W HA -0.251 4.409 4.660 -0.000 0.000 0.318 408 W C 1.938 178.233 176.519 -0.375 0.000 1.227 408 W CA 2.203 59.164 57.345 -0.640 0.000 1.269 408 W CB -1.093 27.735 29.460 -1.053 0.000 1.155 408 W HN -0.046 nan 8.180 nan 0.000 0.484 409 N N 0.773 119.406 118.700 -0.112 0.000 2.120 409 N HA -0.212 4.527 4.740 -0.000 0.000 0.188 409 N C 1.544 176.787 175.510 -0.446 0.000 1.024 409 N CA 2.056 54.841 53.050 -0.441 0.000 0.852 409 N CB -0.800 37.042 38.487 -1.076 0.000 1.003 409 N HN 0.239 nan 8.380 nan 0.000 0.424 410 E N 1.312 121.376 120.200 -0.226 0.000 2.085 410 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 410 E C 1.535 178.197 176.600 0.103 0.000 0.994 410 E CA 1.437 57.894 56.400 0.094 0.000 0.801 410 E CB 0.037 29.866 29.700 0.215 0.000 0.743 410 E HN 0.287 nan 8.360 nan 0.000 0.453 411 K N -0.685 119.768 120.400 0.088 0.000 2.155 411 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 411 K C 2.051 178.681 176.600 0.049 0.000 1.052 411 K CA 0.990 57.325 56.287 0.080 0.000 0.948 411 K CB 0.091 32.635 32.500 0.073 0.000 0.728 411 K HN 0.005 nan 8.250 nan 0.000 0.448 412 V N 1.948 121.859 119.914 -0.004 0.000 2.295 412 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 412 V C 2.347 178.498 176.094 0.095 0.000 1.049 412 V CA 1.709 64.019 62.300 0.017 0.000 1.024 412 V CB -0.422 31.401 31.823 -0.000 0.000 0.648 412 V HN 0.322 nan 8.190 nan 0.000 0.447 413 K N 0.364 120.817 120.400 0.088 0.000 2.009 413 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 413 K C 2.045 178.724 176.600 0.131 0.000 1.049 413 K CA 2.113 58.480 56.287 0.133 0.000 0.929 413 K CB -0.237 32.396 32.500 0.221 0.000 0.714 413 K HN 0.439 nan 8.250 nan 0.000 0.440 414 N N 0.156 118.939 118.700 0.139 0.000 2.166 414 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 414 N C 1.728 177.327 175.510 0.149 0.000 1.019 414 N CA 1.345 54.472 53.050 0.129 0.000 0.856 414 N CB -0.580 37.986 38.487 0.132 0.000 0.993 414 N HN 0.432 nan 8.380 nan 0.000 0.426 415 H N 0.613 119.740 119.070 0.095 0.000 2.326 415 H HA 0.111 4.667 4.556 -0.000 0.000 0.301 415 H C 2.019 177.430 175.328 0.138 0.000 1.081 415 H CA 1.642 57.766 56.048 0.127 0.000 1.334 415 H CB -0.067 29.683 29.762 -0.021 0.000 1.385 415 H HN 0.084 nan 8.280 nan 0.000 0.504 416 M N -0.777 118.844 119.600 0.034 0.000 2.213 416 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 416 M C 1.828 178.191 176.300 0.105 0.000 1.062 416 M CA 1.204 56.529 55.300 0.043 0.000 1.105 416 M CB 0.029 32.726 32.600 0.162 0.000 1.385 416 M HN 0.346 nan 8.290 nan 0.000 0.417 417 M N -0.456 119.200 119.600 0.094 0.000 2.288 417 M HA -0.091 4.389 4.480 -0.000 0.000 0.266 417 M C 1.847 178.146 176.300 -0.002 0.000 1.072 417 M CA 1.635 56.998 55.300 0.105 0.000 1.132 417 M CB -0.852 31.791 32.600 0.071 0.000 1.386 417 M HN 0.320 nan 8.290 nan 0.000 0.432 418 Q N -0.933 118.807 119.800 -0.100 0.000 2.354 418 Q HA -0.018 4.321 4.340 -0.000 0.000 0.203 418 Q C 0.062 175.698 176.000 -0.606 0.000 0.933 418 Q CA 0.697 56.317 55.803 -0.306 0.000 0.901 418 Q CB 0.395 28.944 28.738 -0.315 0.000 1.007 418 Q HN 0.526 nan 8.270 nan 0.000 0.495 419 H N 0.281 119.274 119.070 -0.129 0.000 2.348 419 H HA 0.212 4.768 4.556 -0.000 0.000 0.232 419 H C -0.094 175.147 175.328 -0.144 0.000 1.419 419 H CA -0.072 55.902 56.048 -0.125 0.000 1.416 419 H CB 0.587 30.239 29.762 -0.183 0.000 1.510 419 H HN 0.242 nan 8.280 nan 0.000 0.507 420 Q N 0.705 120.468 119.800 -0.061 0.000 2.444 420 Q HA -0.070 4.270 4.340 -0.000 0.000 0.206 420 Q C 1.574 177.508 176.000 -0.111 0.000 0.948 420 Q CA 0.452 56.176 55.803 -0.132 0.000 0.946 420 Q CB 0.550 29.164 28.738 -0.208 0.000 1.027 420 Q HN 0.518 nan 8.270 nan 0.000 0.513 421 E N 0.629 120.816 120.200 -0.021 0.000 2.474 421 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 421 E C -0.378 176.251 176.600 0.048 0.000 1.041 421 E CA 0.262 56.665 56.400 0.006 0.000 0.874 421 E CB 0.093 29.815 29.700 0.036 0.000 0.914 421 E HN 0.102 nan 8.360 nan 0.000 0.498 422 D N 2.325 122.769 120.400 0.074 0.000 2.264 422 D HA 0.129 4.769 4.640 -0.000 0.000 0.250 422 D C -1.529 174.814 176.300 0.072 0.000 1.113 422 D CA -2.052 52.017 54.000 0.116 0.000 0.871 422 D CB 1.600 42.500 40.800 0.167 0.000 1.167 422 D HN -0.163 nan 8.370 nan 0.000 0.447 423 P HA 0.104 nan 4.420 nan 0.000 0.249 423 P C -0.232 177.104 177.300 0.059 0.000 1.229 423 P CA 0.224 63.356 63.100 0.054 0.000 0.788 423 P CB 0.393 32.120 31.700 0.046 0.000 1.072 424 L N 1.457 122.722 121.223 0.071 0.000 2.330 424 L HA 0.395 4.735 4.340 -0.000 0.000 0.271 424 L C -1.622 175.281 176.870 0.054 0.000 1.013 424 L CA -2.223 52.637 54.840 0.032 0.000 0.816 424 L CB 2.695 44.742 42.059 -0.021 0.000 1.287 424 L HN -0.311 nan 8.230 nan 0.000 0.435 425 P HA 0.161 nan 4.420 nan 0.000 0.261 425 P C 0.143 177.325 177.300 -0.196 0.000 1.268 425 P CA 0.297 63.408 63.100 0.018 0.000 0.833 425 P CB 0.479 32.195 31.700 0.027 0.000 1.231 426 I N 2.732 123.097 120.570 -0.341 0.000 2.396 426 I HA 0.197 4.367 4.170 -0.000 0.000 0.289 426 I C -2.065 173.545 176.117 -0.845 0.000 1.056 426 I CA -2.622 58.398 61.300 -0.467 0.000 1.365 426 I CB 0.585 38.395 38.000 -0.317 0.000 1.407 426 I HN -0.230 nan 8.210 nan 0.000 0.509 427 P HA -0.031 nan 4.420 nan 0.000 0.265 427 P C 0.367 177.347 177.300 -0.534 0.000 1.187 427 P CA 0.102 62.753 63.100 -0.748 0.000 0.766 427 P CB 0.315 31.857 31.700 -0.263 0.000 0.820 428 F N 0.904 120.701 119.950 -0.256 0.000 2.154 428 F HA -0.162 4.364 4.527 -0.000 0.000 0.301 428 F C 1.716 177.465 175.800 -0.084 0.000 1.087 428 F CA 1.651 59.567 58.000 -0.140 0.000 1.274 428 F CB -0.977 37.954 39.000 -0.116 0.000 1.009 428 F HN 0.404 nan 8.300 nan 0.000 0.485 429 E N -0.189 120.075 120.200 0.106 0.000 2.394 429 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 429 E C -0.304 176.306 176.600 0.016 0.000 1.044 429 E CA -0.224 56.217 56.400 0.067 0.000 0.939 429 E CB -0.308 29.436 29.700 0.074 0.000 1.089 429 E HN 0.226 nan 8.360 nan 0.000 0.456 430 D N 2.442 122.827 120.400 -0.025 0.000 2.458 430 D HA 0.037 4.677 4.640 -0.000 0.000 0.243 430 D C -2.313 173.994 176.300 0.011 0.000 1.146 430 D CA -1.564 52.412 54.000 -0.040 0.000 0.877 430 D CB 0.824 41.560 40.800 -0.106 0.000 1.176 430 D HN -0.131 nan 8.370 nan 0.000 0.461 431 P HA 0.095 nan 4.420 nan 0.000 0.272 431 P C -0.490 176.920 177.300 0.183 0.000 1.230 431 P CA -0.415 62.768 63.100 0.139 0.000 0.788 431 P CB 0.442 32.220 31.700 0.130 0.000 0.949 432 E N 2.814 123.128 120.200 0.190 0.000 2.409 432 E HA 0.123 4.473 4.350 -0.000 0.000 0.257 432 E C -2.289 174.331 176.600 0.033 0.000 1.150 432 E CA -1.858 54.580 56.400 0.064 0.000 0.942 432 E CB -1.148 28.541 29.700 -0.017 0.000 0.979 432 E HN 0.298 nan 8.360 nan 0.000 0.447 433 P HA 0.031 nan 4.420 nan 0.000 0.271 433 P C -0.520 176.791 177.300 0.018 0.000 1.216 433 P CA 0.118 63.274 63.100 0.093 0.000 0.776 433 P CB 0.505 32.223 31.700 0.030 0.000 0.881 434 Q N 1.580 121.495 119.800 0.192 0.000 3.484 434 Q HA 0.329 4.668 4.340 -0.000 0.000 0.255 434 Q C -0.948 175.161 176.000 0.183 0.000 0.909 434 Q CA -0.410 55.407 55.803 0.025 0.000 0.774 434 Q CB 1.350 29.847 28.738 -0.402 0.000 1.431 434 Q HN 0.212 nan 8.270 nan 0.000 0.423 435 V N 0.648 120.620 119.914 0.097 0.000 2.715 435 V HA 0.727 4.847 4.120 -0.000 0.000 0.310 435 V C 0.020 176.138 176.094 0.039 0.000 1.054 435 V CA -0.431 61.919 62.300 0.084 0.000 0.928 435 V CB 2.143 33.968 31.823 0.002 0.000 1.007 435 V HN 0.496 nan 8.190 nan 0.000 0.437 436 T N 1.627 116.228 114.554 0.077 0.000 2.916 436 T HA 0.512 4.862 4.350 -0.000 0.000 0.305 436 T C -1.038 173.598 174.700 -0.106 0.000 1.119 436 T CA -0.310 61.773 62.100 -0.028 0.000 1.008 436 T CB 1.836 70.670 68.868 -0.057 0.000 1.129 436 T HN 0.834 nan 8.240 nan 0.000 0.480 437 T N 4.651 118.997 114.554 -0.348 0.000 2.815 437 T HA 0.596 4.946 4.350 -0.000 0.000 0.289 437 T C -0.152 174.399 174.700 -0.249 0.000 1.000 437 T CA -0.604 61.165 62.100 -0.551 0.000 0.958 437 T CB -0.087 68.046 68.868 -1.225 0.000 0.944 437 T HN 0.533 nan 8.240 nan 0.000 0.442 438 L N 4.514 125.672 121.223 -0.109 0.000 2.467 438 L HA 0.360 4.700 4.340 -0.000 0.000 0.270 438 L C 0.807 177.665 176.870 -0.021 0.000 1.205 438 L CA -0.837 54.018 54.840 0.026 0.000 0.828 438 L CB 0.128 42.204 42.059 0.029 0.000 1.101 438 L HN 0.645 nan 8.230 nan 0.000 0.479 439 F N 3.016 122.877 119.950 -0.148 0.000 2.517 439 F HA -0.160 4.367 4.527 -0.000 0.000 0.398 439 F C 0.302 175.826 175.800 -0.461 0.000 1.005 439 F CA 0.871 58.682 58.000 -0.315 0.000 1.221 439 F CB 0.111 38.980 39.000 -0.219 0.000 0.936 439 F HN 0.418 nan 8.300 nan 0.000 0.557 440 Q N 6.396 125.552 119.800 -1.074 0.000 2.462 440 Q HA 0.252 4.592 4.340 -0.000 0.000 0.285 440 Q C -1.985 173.454 176.000 -0.935 0.000 1.035 440 Q CA -1.703 53.622 55.803 -0.797 0.000 0.799 440 Q CB 1.415 29.658 28.738 -0.825 0.000 1.452 440 Q HN 0.218 nan 8.270 nan 0.000 0.404 441 P HA -0.190 nan 4.420 nan 0.000 0.216 441 P C 1.063 178.114 177.300 -0.415 0.000 1.153 441 P CA 1.996 64.879 63.100 -0.362 0.000 0.858 441 P CB 0.181 31.782 31.700 -0.165 0.000 0.789 442 S N -1.658 113.820 115.700 -0.371 0.000 2.603 442 S HA -0.052 4.418 4.470 -0.000 0.000 0.220 442 S C 0.330 174.748 174.600 -0.304 0.000 0.967 442 S CA -0.048 58.016 58.200 -0.227 0.000 0.920 442 S CB -1.350 61.817 63.200 -0.054 0.000 0.773 442 S HN 0.456 nan 8.310 nan 0.000 0.529 443 H N -2.073 116.523 119.070 -0.790 0.000 2.838 443 H HA 0.392 4.947 4.556 -0.000 0.000 0.234 443 H C -3.319 170.855 175.328 -1.922 0.000 1.397 443 H CA -1.358 53.822 56.048 -1.447 0.000 1.470 443 H CB -0.104 29.103 29.762 -0.925 0.000 1.974 443 H HN 0.043 nan 8.280 nan 0.000 0.625 444 P HA 0.082 nan 4.420 nan 0.000 0.225 444 P C -1.101 175.774 177.300 -0.708 0.000 1.768 444 P CA 0.329 62.393 63.100 -1.726 0.000 0.943 444 P CB -1.134 30.107 31.700 -0.765 0.000 1.936 445 W N -0.679 120.435 121.300 -0.310 0.000 3.083 445 W HA 0.569 5.228 4.660 -0.000 0.000 0.333 445 W C -0.811 175.811 176.519 0.173 0.000 1.217 445 W CA -1.354 56.066 57.345 0.124 0.000 1.170 445 W CB 0.105 29.635 29.460 0.117 0.000 1.437 445 W HN -0.039 nan 8.180 nan 0.000 0.557 446 H N 0.785 120.108 119.070 0.421 0.000 2.481 446 H HA 0.696 5.252 4.556 -0.000 0.000 0.339 446 H C -0.275 175.191 175.328 0.229 0.000 1.131 446 H CA 0.221 56.405 56.048 0.227 0.000 1.301 446 H CB 1.532 31.363 29.762 0.115 0.000 1.476 446 H HN 0.572 nan 8.280 nan 0.000 0.529 447 T N 2.262 116.472 114.554 -0.573 0.000 2.876 447 T HA 0.494 4.844 4.350 -0.000 0.000 0.289 447 T C -0.734 173.685 174.700 -0.469 0.000 1.014 447 T CA -1.115 60.671 62.100 -0.523 0.000 0.986 447 T CB 1.665 70.123 68.868 -0.683 0.000 1.021 447 T HN 0.677 nan 8.240 nan 0.000 0.458 448 Q N 1.712 121.436 119.800 -0.127 0.000 2.323 448 Q HA 0.602 4.942 4.340 -0.000 0.000 0.271 448 Q C -1.339 174.603 176.000 -0.097 0.000 1.048 448 Q CA -0.740 54.925 55.803 -0.230 0.000 0.792 448 Q CB 2.635 31.125 28.738 -0.413 0.000 1.280 448 Q HN 0.713 nan 8.270 nan 0.000 0.441 449 I N 3.389 123.865 120.570 -0.156 0.000 2.563 449 I HA 0.322 4.492 4.170 -0.000 0.000 0.276 449 I C -0.540 175.505 176.117 -0.120 0.000 1.074 449 I CA -0.175 60.930 61.300 -0.326 0.000 1.124 449 I CB 0.620 38.283 38.000 -0.562 0.000 1.225 449 I HN 0.720 nan 8.210 nan 0.000 0.482 450 H N 3.325 122.261 119.070 -0.222 0.000 2.917 450 H HA 0.708 5.264 4.556 -0.000 0.000 0.269 450 H C -1.249 174.045 175.328 -0.057 0.000 1.488 450 H CA -1.377 54.605 56.048 -0.110 0.000 1.173 450 H CB 1.451 31.184 29.762 -0.049 0.000 1.868 450 H HN 0.087 nan 8.280 nan 0.000 0.600 451 R N 1.218 121.577 120.500 -0.234 0.000 2.575 451 R HA 0.453 4.793 4.340 -0.000 0.000 0.293 451 R C -1.503 174.579 176.300 -0.364 0.000 0.983 451 R CA -0.585 55.336 56.100 -0.298 0.000 0.887 451 R CB 1.836 32.059 30.300 -0.128 0.000 1.184 451 R HN 0.873 nan 8.270 nan 0.000 0.445 452 D N 0.081 120.260 120.400 -0.369 0.000 2.738 452 D HA 0.451 5.090 4.640 -0.000 0.000 0.308 452 D C -1.542 174.545 176.300 -0.355 0.000 1.311 452 D CA -0.371 53.406 54.000 -0.373 0.000 0.799 452 D CB 2.166 42.733 40.800 -0.388 0.000 1.332 452 D HN 0.479 nan 8.370 nan 0.000 0.441 453 A N 0.909 123.404 122.820 -0.541 0.000 2.288 453 A HA 0.739 5.059 4.320 -0.000 0.000 0.320 453 A C -1.228 175.925 177.584 -0.719 0.000 1.217 453 A CA -0.253 51.548 52.037 -0.394 0.000 0.840 453 A CB 0.124 19.043 19.000 -0.135 0.000 1.179 453 A HN 0.304 nan 8.150 nan 0.000 0.504 454 F N 0.342 120.123 119.950 -0.282 0.000 2.650 454 F HA 0.367 4.893 4.527 -0.000 0.000 0.320 454 F C 1.672 177.250 175.800 -0.370 0.000 1.091 454 F CA 0.068 57.849 58.000 -0.364 0.000 0.962 454 F CB 1.996 40.571 39.000 -0.709 0.000 1.363 454 F HN 0.594 nan 8.300 nan 0.000 0.482 455 S N -0.365 115.330 115.700 -0.010 0.000 2.469 455 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 455 S C -0.017 174.600 174.600 0.029 0.000 0.998 455 S CA 0.998 59.197 58.200 -0.002 0.000 0.957 455 S CB -1.032 62.216 63.200 0.080 0.000 0.764 455 S HN 0.537 nan 8.310 nan 0.000 0.514 456 Y N -1.133 119.154 120.300 -0.022 0.000 2.621 456 Y HA 0.765 5.315 4.550 -0.000 0.000 0.334 456 Y C 0.311 176.172 175.900 -0.066 0.000 1.074 456 Y CA -1.062 56.996 58.100 -0.070 0.000 1.149 456 Y CB 0.686 39.056 38.460 -0.149 0.000 1.302 456 Y HN 0.378 nan 8.280 nan 0.000 0.501 457 G N -0.380 108.443 108.800 0.039 0.000 2.712 457 G HA2 0.476 4.436 3.960 -0.000 0.000 0.686 457 G HA3 0.476 4.436 3.960 -0.000 0.000 0.686 457 G C -0.987 173.938 174.900 0.042 0.000 1.181 457 G CA -0.320 44.796 45.100 0.026 0.000 0.762 457 G HN 1.513 nan 8.290 nan 0.000 0.641 458 A N 0.332 123.197 122.820 0.077 0.000 3.184 458 A HA 1.101 5.421 4.320 -0.000 0.000 0.206 458 A C 0.632 178.244 177.584 0.047 0.000 1.262 458 A CA 0.309 52.385 52.037 0.064 0.000 0.891 458 A CB 0.992 20.041 19.000 0.082 0.000 1.526 458 A HN 2.538 nan 8.150 nan 0.000 0.508 459 V N -1.435 118.506 119.914 0.045 0.000 2.715 459 V HA 0.785 4.905 4.120 -0.000 0.000 0.310 459 V C -0.898 175.224 176.094 0.046 0.000 1.054 459 V CA -0.484 61.843 62.300 0.044 0.000 0.928 459 V CB 1.002 32.848 31.823 0.038 0.000 1.007 459 V HN 1.260 nan 8.190 nan 0.000 0.437 460 Q N 2.562 122.390 119.800 0.047 0.000 2.484 460 Q HA 0.738 5.078 4.340 -0.000 0.000 0.285 460 Q C -0.502 175.520 176.000 0.037 0.000 1.097 460 Q CA -0.644 55.184 55.803 0.041 0.000 0.802 460 Q CB 2.245 31.009 28.738 0.043 0.000 1.444 460 Q HN 0.422 nan 8.270 nan 0.000 0.429 461 Q N -0.302 119.517 119.800 0.032 0.000 2.113 461 Q HA 0.375 4.715 4.340 -0.000 0.000 0.225 461 Q C 0.697 176.714 176.000 0.029 0.000 0.786 461 Q CA 0.449 56.270 55.803 0.030 0.000 0.989 461 Q CB 0.928 29.681 28.738 0.025 0.000 1.174 461 Q HN 0.772 nan 8.270 nan 0.000 0.470 462 S N -0.283 115.435 115.700 0.029 0.000 2.425 462 S HA 0.169 4.638 4.470 -0.000 0.000 0.225 462 S C 0.745 175.363 174.600 0.030 0.000 1.024 462 S CA 0.431 58.647 58.200 0.027 0.000 0.951 462 S CB 0.477 63.692 63.200 0.025 0.000 0.796 462 S HN 0.183 nan 8.310 nan 0.000 0.498 463 I N 2.212 122.803 120.570 0.033 0.000 2.441 463 I HA 0.268 4.438 4.170 -0.000 0.000 0.295 463 I C -0.016 176.125 176.117 0.040 0.000 0.994 463 I CA -1.051 60.271 61.300 0.035 0.000 1.144 463 I CB 1.227 39.248 38.000 0.035 0.000 1.314 463 I HN 0.069 nan 8.210 nan 0.000 0.445 464 D N 4.009 124.435 120.400 0.043 0.000 2.472 464 D HA -0.053 4.587 4.640 -0.000 0.000 0.248 464 D C 1.269 177.597 176.300 0.047 0.000 1.174 464 D CA 0.238 54.270 54.000 0.052 0.000 0.883 464 D CB 1.167 42.002 40.800 0.058 0.000 1.149 464 D HN 0.649 nan 8.370 nan 0.000 0.488 465 S N 4.279 120.009 115.700 0.050 0.000 2.440 465 S HA -0.210 4.260 4.470 -0.000 0.000 0.238 465 S C 1.649 176.269 174.600 0.033 0.000 1.010 465 S CA 0.695 58.920 58.200 0.043 0.000 0.972 465 S CB -0.070 63.155 63.200 0.042 0.000 0.774 465 S HN 0.556 nan 8.310 nan 0.000 0.501 466 R N 0.650 121.167 120.500 0.028 0.000 2.237 466 R HA 0.207 4.546 4.340 -0.000 0.000 0.219 466 R C 1.763 178.060 176.300 -0.005 0.000 1.080 466 R CA 0.934 57.032 56.100 -0.003 0.000 0.995 466 R CB -0.480 29.795 30.300 -0.041 0.000 0.875 466 R HN 0.453 nan 8.270 nan 0.000 0.462 467 L N 0.304 121.535 121.223 0.013 0.000 2.492 467 L HA 0.123 4.463 4.340 -0.000 0.000 0.223 467 L C 0.637 177.531 176.870 0.040 0.000 1.132 467 L CA 0.210 55.062 54.840 0.021 0.000 0.850 467 L CB 0.116 42.190 42.059 0.026 0.000 0.966 467 L HN 0.069 nan 8.230 nan 0.000 0.454 468 I N 0.079 120.674 120.570 0.042 0.000 2.385 468 I HA 0.256 4.426 4.170 -0.000 0.000 0.294 468 I C -0.579 175.571 176.117 0.054 0.000 0.988 468 I CA -0.429 60.908 61.300 0.060 0.000 1.265 468 I CB 1.808 39.843 38.000 0.058 0.000 1.388 468 I HN -0.305 nan 8.210 nan 0.000 0.480 469 V N 4.677 124.644 119.914 0.089 0.000 2.709 469 V HA 0.350 4.470 4.120 -0.000 0.000 0.308 469 V C -0.866 175.263 176.094 0.058 0.000 1.062 469 V CA -0.822 61.492 62.300 0.024 0.000 0.901 469 V CB 2.181 34.001 31.823 -0.005 0.000 1.003 469 V HN 0.588 nan 8.190 nan 0.000 0.425 470 D N 2.431 122.818 120.400 -0.022 0.000 2.175 470 D HA 0.511 5.150 4.640 -0.000 0.000 0.248 470 D C -1.087 175.238 176.300 0.043 0.000 1.047 470 D CA 0.017 54.108 54.000 0.151 0.000 0.883 470 D CB 1.595 42.524 40.800 0.216 0.000 1.180 470 D HN 0.449 nan 8.370 nan 0.000 0.438 471 W N 1.386 122.811 121.300 0.209 0.000 2.538 471 W HA 0.451 5.111 4.660 -0.000 0.000 0.322 471 W C 0.194 176.866 176.519 0.255 0.000 1.028 471 W CA -0.852 56.620 57.345 0.211 0.000 1.228 471 W CB 1.255 30.718 29.460 0.005 0.000 1.356 471 W HN -0.081 nan 8.180 nan 0.000 0.452 472 R N 2.959 123.761 120.500 0.504 0.000 2.483 472 R HA 0.535 4.875 4.340 -0.000 0.000 0.303 472 R C -1.555 174.963 176.300 0.364 0.000 0.987 472 R CA -0.846 55.396 56.100 0.238 0.000 0.881 472 R CB 1.593 31.957 30.300 0.108 0.000 1.177 472 R HN 0.181 nan 8.270 nan 0.000 0.451 473 F N 3.009 122.828 119.950 -0.217 0.000 2.495 473 F HA 0.518 5.045 4.527 -0.000 0.000 0.327 473 F C -0.449 175.231 175.800 -0.200 0.000 1.103 473 F CA -1.474 56.494 58.000 -0.054 0.000 0.949 473 F CB 1.223 40.143 39.000 -0.134 0.000 1.142 473 F HN 0.292 nan 8.300 nan 0.000 0.457 474 F N 1.249 121.377 119.950 0.296 0.000 2.477 474 F HA 0.669 5.196 4.527 -0.000 0.000 0.335 474 F C 0.593 176.592 175.800 0.330 0.000 1.130 474 F CA -1.195 56.975 58.000 0.282 0.000 0.948 474 F CB 1.496 40.711 39.000 0.359 0.000 1.154 474 F HN 0.522 nan 8.300 nan 0.000 0.439 475 G N 1.980 111.018 108.800 0.396 0.000 2.502 475 G HA2 0.672 4.632 3.960 -0.000 0.000 0.305 475 G HA3 0.672 4.632 3.960 -0.000 0.000 0.305 475 G C -0.904 174.176 174.900 0.300 0.000 1.190 475 G CA -1.040 44.276 45.100 0.360 0.000 0.933 475 G HN 0.698 nan 8.290 nan 0.000 0.503 476 R N -1.007 119.657 120.500 0.274 0.000 2.532 476 R HA 0.689 5.029 4.340 -0.000 0.000 0.295 476 R C -1.015 175.369 176.300 0.139 0.000 0.968 476 R CA -0.612 55.574 56.100 0.143 0.000 0.916 476 R CB 1.488 31.870 30.300 0.136 0.000 1.124 476 R HN 0.269 nan 8.270 nan 0.000 0.463 477 T N 2.107 116.713 114.554 0.085 0.000 2.786 477 T HA 0.168 4.518 4.350 -0.000 0.000 0.283 477 T C -0.659 174.107 174.700 0.109 0.000 0.992 477 T CA -0.690 61.509 62.100 0.165 0.000 0.954 477 T CB 1.135 70.182 68.868 0.298 0.000 0.934 477 T HN 0.534 nan 8.240 nan 0.000 0.440 478 E N 4.438 124.707 120.200 0.115 0.000 2.415 478 E HA 0.075 4.425 4.350 -0.000 0.000 0.263 478 E C -2.152 174.514 176.600 0.111 0.000 0.995 478 E CA -1.431 55.028 56.400 0.098 0.000 0.915 478 E CB 0.429 30.180 29.700 0.086 0.000 0.951 478 E HN 0.292 nan 8.360 nan 0.000 0.449 479 P HA 0.056 nan 4.420 nan 0.000 0.271 479 P C -0.806 176.640 177.300 0.244 0.000 1.233 479 P CA 0.279 63.506 63.100 0.211 0.000 0.764 479 P CB 0.540 32.378 31.700 0.230 0.000 0.825 480 K N 2.510 123.002 120.400 0.154 0.000 2.371 480 K HA 0.177 4.497 4.320 -0.000 0.000 0.251 480 K C 1.025 177.487 176.600 -0.230 0.000 0.934 480 K CA -0.755 55.555 56.287 0.038 0.000 0.798 480 K CB 2.157 34.628 32.500 -0.049 0.000 1.204 480 K HN 0.422 nan 8.250 nan 0.000 0.427 481 E N 2.030 121.959 120.200 -0.452 0.000 2.153 481 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 481 E C 0.915 177.279 176.600 -0.394 0.000 0.988 481 E CA 1.459 57.361 56.400 -0.829 0.000 0.811 481 E CB 0.435 29.807 29.700 -0.547 0.000 0.746 481 E HN 0.545 nan 8.360 nan 0.000 0.466 482 E N 0.234 120.300 120.200 -0.223 0.000 2.347 482 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 482 E C 0.038 176.577 176.600 -0.101 0.000 1.008 482 E CA 0.269 56.587 56.400 -0.137 0.000 0.852 482 E CB -0.253 29.380 29.700 -0.111 0.000 0.783 482 E HN 0.085 nan 8.360 nan 0.000 0.505 483 N N 2.069 120.696 118.700 -0.121 0.000 2.406 483 N HA 0.166 4.905 4.740 -0.000 0.000 0.251 483 N C -0.716 174.846 175.510 0.088 0.000 1.069 483 N CA 0.171 53.193 53.050 -0.046 0.000 0.947 483 N CB 1.024 39.432 38.487 -0.132 0.000 1.111 483 N HN 0.116 nan 8.380 nan 0.000 0.497 484 K N 1.277 121.786 120.400 0.181 0.000 2.469 484 K HA 0.428 4.748 4.320 -0.000 0.000 0.254 484 K C -1.117 175.627 176.600 0.240 0.000 0.939 484 K CA -0.976 55.435 56.287 0.206 0.000 0.812 484 K CB 2.467 35.096 32.500 0.215 0.000 1.301 484 K HN 0.158 nan 8.250 nan 0.000 0.433 485 L N 3.920 125.229 121.223 0.143 0.000 2.280 485 L HA 0.528 4.868 4.340 -0.000 0.000 0.287 485 L C -1.081 175.704 176.870 -0.143 0.000 1.023 485 L CA -0.107 54.639 54.840 -0.157 0.000 0.819 485 L CB 0.429 42.411 42.059 -0.128 0.000 1.212 485 L HN 0.686 nan 8.230 nan 0.000 0.420 486 W N 3.689 124.705 121.300 -0.473 0.000 3.021 486 W HA 0.670 5.329 4.660 -0.000 0.000 0.337 486 W C -2.064 174.018 176.519 -0.729 0.000 1.171 486 W CA -1.254 55.872 57.345 -0.364 0.000 1.060 486 W CB 0.882 30.280 29.460 -0.103 0.000 1.472 486 W HN 0.326 nan 8.180 nan 0.000 0.594 487 F N 1.310 121.443 119.950 0.305 0.000 2.561 487 F HA 0.323 4.850 4.527 -0.000 0.000 0.313 487 F C 0.630 176.599 175.800 0.281 0.000 1.126 487 F CA -0.938 57.122 58.000 0.100 0.000 0.918 487 F CB 2.147 41.184 39.000 0.062 0.000 1.199 487 F HN 0.264 nan 8.300 nan 0.000 0.444 488 S N 1.169 117.032 115.700 0.271 0.000 2.562 488 S HA 0.066 4.536 4.470 -0.000 0.000 0.281 488 S C 0.832 175.576 174.600 0.240 0.000 1.333 488 S CA -0.442 57.940 58.200 0.304 0.000 1.052 488 S CB 0.447 63.737 63.200 0.149 0.000 0.884 488 S HN 0.694 nan 8.310 nan 0.000 0.506 489 D N 3.412 123.939 120.400 0.211 0.000 2.348 489 D HA -0.024 4.616 4.640 -0.000 0.000 0.211 489 D C 1.240 177.600 176.300 0.100 0.000 0.998 489 D CA 0.714 54.794 54.000 0.135 0.000 0.873 489 D CB -0.044 40.818 40.800 0.103 0.000 0.925 489 D HN 0.737 nan 8.370 nan 0.000 0.524 490 K N -0.392 120.071 120.400 0.105 0.000 2.344 490 K HA 0.162 4.482 4.320 -0.000 0.000 0.200 490 K C 0.656 177.298 176.600 0.070 0.000 1.132 490 K CA -0.237 56.096 56.287 0.076 0.000 0.935 490 K CB 0.204 32.746 32.500 0.070 0.000 1.089 490 K HN -0.104 nan 8.250 nan 0.000 0.496 491 I N 3.657 124.273 120.570 0.076 0.000 2.638 491 I HA 0.120 4.290 4.170 -0.000 0.000 0.286 491 I C 0.317 176.472 176.117 0.062 0.000 1.088 491 I CA 0.013 61.348 61.300 0.058 0.000 1.397 491 I CB 0.800 38.825 38.000 0.042 0.000 1.414 491 I HN 0.421 nan 8.210 nan 0.000 0.566 492 T N 1.059 115.645 114.554 0.053 0.000 2.916 492 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 492 T C -0.437 174.298 174.700 0.059 0.000 1.055 492 T CA -0.939 61.199 62.100 0.063 0.000 1.009 492 T CB 2.406 71.305 68.868 0.052 0.000 1.118 492 T HN 0.544 nan 8.240 nan 0.000 0.497 493 D N 0.790 121.242 120.400 0.086 0.000 2.507 493 D HA 0.513 5.153 4.640 -0.000 0.000 0.280 493 D C 1.684 178.016 176.300 0.054 0.000 1.219 493 D CA -0.430 53.624 54.000 0.090 0.000 1.085 493 D CB -0.149 40.747 40.800 0.159 0.000 1.134 493 D HN 0.651 nan 8.370 nan 0.000 0.583 494 A N -1.486 121.351 122.820 0.029 0.000 2.070 494 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 494 A C 1.007 178.409 177.584 -0.303 0.000 1.159 494 A CA 0.893 52.842 52.037 -0.146 0.000 0.656 494 A CB -0.955 17.910 19.000 -0.226 0.000 0.800 494 A HN 0.534 nan 8.150 nan 0.000 0.453 495 Y N -0.130 120.194 120.300 0.040 0.000 2.756 495 Y HA 0.220 4.770 4.550 -0.000 0.000 0.300 495 Y C 0.348 176.268 175.900 0.032 0.000 1.113 495 Y CA -0.449 57.677 58.100 0.044 0.000 1.291 495 Y CB -0.893 37.588 38.460 0.035 0.000 1.175 495 Y HN 0.493 nan 8.280 nan 0.000 0.534 496 N N -0.691 118.064 118.700 0.092 0.000 2.710 496 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 496 N C -0.622 174.930 175.510 0.069 0.000 1.059 496 N CA 0.592 53.676 53.050 0.057 0.000 0.720 496 N CB -0.769 37.728 38.487 0.016 0.000 0.983 496 N HN 0.243 nan 8.380 nan 0.000 0.544 497 M N -0.471 119.192 119.600 0.106 0.000 2.598 497 M HA 0.418 4.898 4.480 -0.000 0.000 0.317 497 M C -2.164 174.199 176.300 0.105 0.000 1.201 497 M CA -2.220 53.134 55.300 0.090 0.000 0.971 497 M CB 0.594 33.257 32.600 0.104 0.000 1.657 497 M HN -0.272 nan 8.290 nan 0.000 0.470 498 P HA 0.000 nan 4.420 nan 0.000 0.262 498 P C -0.655 176.792 177.300 0.245 0.000 1.182 498 P CA 0.054 63.243 63.100 0.148 0.000 0.761 498 P CB 0.210 31.990 31.700 0.133 0.000 0.795 499 Q N 6.598 126.496 119.800 0.163 0.000 2.297 499 Q HA 0.212 4.552 4.340 -0.000 0.000 0.267 499 Q C -2.351 173.621 176.000 -0.047 0.000 1.006 499 Q CA -2.052 53.799 55.803 0.080 0.000 0.896 499 Q CB -0.257 28.483 28.738 0.003 0.000 1.186 499 Q HN 0.277 nan 8.270 nan 0.000 0.392 500 P HA 0.080 nan 4.420 nan 0.000 0.268 500 P C -1.149 175.646 177.300 -0.841 0.000 1.204 500 P CA 0.073 62.745 63.100 -0.713 0.000 0.768 500 P CB 0.884 32.260 31.700 -0.540 0.000 0.842 501 T N 3.365 117.179 114.554 -1.234 0.000 2.921 501 T HA 0.526 4.876 4.350 -0.000 0.000 0.297 501 T C -0.617 173.368 174.700 -1.192 0.000 1.013 501 T CA -0.180 61.199 62.100 -1.202 0.000 0.990 501 T CB 0.488 68.319 68.868 -1.728 0.000 1.023 501 T HN 0.012 nan 8.240 nan 0.000 0.447 502 F N 1.917 121.585 119.950 -0.469 0.000 2.422 502 F HA 0.500 5.027 4.527 -0.000 0.000 0.333 502 F C 0.678 176.415 175.800 -0.104 0.000 1.095 502 F CA -0.946 56.900 58.000 -0.257 0.000 1.038 502 F CB 1.141 40.040 39.000 -0.168 0.000 1.156 502 F HN 0.404 nan 8.300 nan 0.000 0.483 503 D N 3.480 124.039 120.400 0.265 0.000 2.420 503 D HA 0.218 4.858 4.640 -0.000 0.000 0.255 503 D C -1.779 174.654 176.300 0.221 0.000 1.185 503 D CA -0.081 54.065 54.000 0.243 0.000 0.904 503 D CB 0.431 41.393 40.800 0.270 0.000 1.102 503 D HN 0.308 nan 8.370 nan 0.000 0.534 504 F N 3.384 123.326 119.950 -0.012 0.000 2.574 504 F HA 0.550 5.077 4.527 -0.000 0.000 0.313 504 F C -1.152 174.538 175.800 -0.184 0.000 1.130 504 F CA -0.623 57.304 58.000 -0.122 0.000 0.936 504 F CB 1.368 40.237 39.000 -0.219 0.000 1.219 504 F HN 0.025 nan 8.300 nan 0.000 0.445 505 R N 4.421 124.462 120.500 -0.765 0.000 2.725 505 R HA 0.362 4.702 4.340 -0.000 0.000 0.277 505 R C -1.535 174.218 176.300 -0.911 0.000 0.987 505 R CA -0.990 54.760 56.100 -0.584 0.000 0.901 505 R CB 1.686 31.831 30.300 -0.259 0.000 1.207 505 R HN 0.581 nan 8.270 nan 0.000 0.463 506 F N 3.104 122.867 119.950 -0.311 0.000 2.602 506 F HA 0.107 4.633 4.527 -0.000 0.000 0.385 506 F C -1.252 174.430 175.800 -0.197 0.000 1.063 506 F CA -0.816 57.064 58.000 -0.199 0.000 1.233 506 F CB -0.265 38.719 39.000 -0.026 0.000 1.067 506 F HN 0.137 nan 8.300 nan 0.000 0.564 507 P HA 0.162 nan 4.420 nan 0.000 0.268 507 P C -0.471 176.842 177.300 0.021 0.000 1.205 507 P CA -0.271 62.813 63.100 -0.028 0.000 0.771 507 P CB 0.558 32.248 31.700 -0.017 0.000 0.858 508 A N 2.782 125.601 122.820 -0.002 0.000 2.366 508 A HA 0.549 4.869 4.320 -0.000 0.000 0.250 508 A C 1.140 178.734 177.584 0.017 0.000 1.099 508 A CA 0.788 52.827 52.037 0.004 0.000 0.794 508 A CB -1.041 17.954 19.000 -0.008 0.000 1.056 508 A HN 0.845 nan 8.150 nan 0.000 0.499 509 G N -0.166 108.645 108.800 0.019 0.000 2.496 509 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.243 509 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.243 509 G C 1.028 175.954 174.900 0.043 0.000 1.176 509 G CA 0.809 45.927 45.100 0.029 0.000 0.940 509 G HN 1.035 nan 8.290 nan 0.000 0.573 510 R N -0.248 120.285 120.500 0.055 0.000 2.073 510 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 510 R C 2.857 179.210 176.300 0.088 0.000 1.134 510 R CA 2.631 58.774 56.100 0.072 0.000 0.952 510 R CB -0.956 29.390 30.300 0.077 0.000 0.850 510 R HN 0.636 nan 8.270 nan 0.000 0.433 511 T N 0.176 114.784 114.554 0.091 0.000 2.685 511 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 511 T C 1.916 176.658 174.700 0.070 0.000 1.034 511 T CA 1.952 64.117 62.100 0.108 0.000 1.149 511 T CB -0.193 68.756 68.868 0.134 0.000 0.860 511 T HN 0.268 nan 8.240 nan 0.000 0.449 512 S N 0.076 115.802 115.700 0.044 0.000 2.377 512 S HA 0.055 4.525 4.470 -0.000 0.000 0.223 512 S C 2.015 176.614 174.600 -0.001 0.000 1.030 512 S CA 0.614 58.809 58.200 -0.008 0.000 0.970 512 S CB -0.087 63.106 63.200 -0.012 0.000 0.830 512 S HN 0.438 nan 8.310 nan 0.000 0.473 513 K N 1.347 121.767 120.400 0.034 0.000 2.026 513 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 513 K C 1.935 178.587 176.600 0.087 0.000 1.048 513 K CA 1.337 57.654 56.287 0.050 0.000 0.929 513 K CB -0.128 32.408 32.500 0.061 0.000 0.713 513 K HN 0.352 nan 8.250 nan 0.000 0.439 514 E N 0.040 120.320 120.200 0.134 0.000 2.097 514 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 514 E C 1.973 178.656 176.600 0.138 0.000 1.000 514 E CA 1.191 57.733 56.400 0.237 0.000 0.804 514 E CB -0.163 29.713 29.700 0.294 0.000 0.740 514 E HN 0.412 nan 8.360 nan 0.000 0.454 515 A N 1.442 124.306 122.820 0.075 0.000 1.883 515 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 515 A C 2.108 179.736 177.584 0.073 0.000 1.186 515 A CA 1.931 53.998 52.037 0.050 0.000 0.624 515 A CB -0.479 18.508 19.000 -0.022 0.000 0.822 515 A HN 0.179 nan 8.150 nan 0.000 0.444 516 E N 0.450 120.684 120.200 0.057 0.000 2.072 516 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 516 E C 1.370 177.943 176.600 -0.045 0.000 0.985 516 E CA 1.554 57.989 56.400 0.059 0.000 0.801 516 E CB -0.332 29.381 29.700 0.022 0.000 0.750 516 E HN 0.525 nan 8.360 nan 0.000 0.452 517 D N -0.073 120.300 120.400 -0.045 0.000 2.182 517 D HA -0.201 4.439 4.640 -0.000 0.000 0.201 517 D C 1.898 177.958 176.300 -0.399 0.000 0.986 517 D CA 1.235 55.192 54.000 -0.071 0.000 0.847 517 D CB -0.312 40.579 40.800 0.152 0.000 0.942 517 D HN 0.338 nan 8.370 nan 0.000 0.467 518 M N -0.295 118.835 119.600 -0.783 0.000 2.132 518 M HA -0.189 4.290 4.480 -0.000 0.000 0.263 518 M C 2.075 177.961 176.300 -0.689 0.000 1.065 518 M CA 1.161 55.670 55.300 -1.318 0.000 1.122 518 M CB 0.026 32.012 32.600 -1.024 0.000 1.365 518 M HN -0.033 nan 8.290 nan 0.000 0.411 519 M N 0.188 119.504 119.600 -0.472 0.000 2.080 519 M HA -0.156 4.324 4.480 -0.000 0.000 0.260 519 M C 1.748 177.828 176.300 -0.366 0.000 1.068 519 M CA 2.375 57.394 55.300 -0.469 0.000 1.109 519 M CB -0.879 31.508 32.600 -0.356 0.000 1.342 519 M HN 0.232 nan 8.290 nan 0.000 0.405 520 T N -0.013 114.398 114.554 -0.238 0.000 2.746 520 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 520 T C 1.482 176.106 174.700 -0.127 0.000 1.039 520 T CA 1.762 63.775 62.100 -0.146 0.000 1.142 520 T CB -0.630 68.199 68.868 -0.065 0.000 0.866 520 T HN 0.536 nan 8.240 nan 0.000 0.444 521 D N 0.647 120.978 120.400 -0.115 0.000 2.123 521 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 521 D C 2.055 178.325 176.300 -0.050 0.000 0.992 521 D CA 0.971 55.012 54.000 0.069 0.000 0.833 521 D CB -0.226 40.758 40.800 0.307 0.000 0.954 521 D HN 0.306 nan 8.370 nan 0.000 0.455 522 M N -0.525 118.787 119.600 -0.479 0.000 2.117 522 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 522 M C 1.976 177.965 176.300 -0.518 0.000 1.065 522 M CA 1.381 56.130 55.300 -0.919 0.000 1.114 522 M CB -0.155 31.632 32.600 -1.354 0.000 1.361 522 M HN 0.195 nan 8.290 nan 0.000 0.408 523 C N -0.300 118.802 119.300 -0.330 0.000 2.429 523 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 523 C C 2.666 177.573 174.990 -0.139 0.000 1.262 523 C CA 0.834 59.776 59.018 -0.126 0.000 1.733 523 C CB -1.055 26.655 27.740 -0.050 0.000 2.010 523 C HN 0.506 nan 8.230 nan 0.000 0.483 524 V N 0.491 120.345 119.914 -0.099 0.000 2.379 524 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 524 V C 2.398 178.468 176.094 -0.040 0.000 1.044 524 V CA 2.139 64.410 62.300 -0.047 0.000 1.036 524 V CB -0.635 31.206 31.823 0.029 0.000 0.664 524 V HN 0.584 nan 8.190 nan 0.000 0.453 525 M N 0.711 120.314 119.600 0.005 0.000 2.156 525 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 525 M C 2.473 178.660 176.300 -0.188 0.000 1.067 525 M CA 2.175 57.551 55.300 0.127 0.000 1.131 525 M CB -0.169 32.656 32.600 0.375 0.000 1.368 525 M HN 0.546 nan 8.290 nan 0.000 0.416 526 S N 0.588 115.884 115.700 -0.672 0.000 2.399 526 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 526 S C 1.969 176.258 174.600 -0.518 0.000 1.022 526 S CA 1.015 58.519 58.200 -1.161 0.000 0.983 526 S CB -0.866 61.389 63.200 -1.575 0.000 0.803 526 S HN 0.568 nan 8.310 nan 0.000 0.480 527 A N 1.855 124.445 122.820 -0.385 0.000 2.125 527 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 527 A C 2.144 179.627 177.584 -0.169 0.000 1.156 527 A CA 1.288 53.144 52.037 -0.302 0.000 0.671 527 A CB -0.517 18.320 19.000 -0.271 0.000 0.794 527 A HN 0.654 nan 8.150 nan 0.000 0.459 528 K N -0.723 119.617 120.400 -0.099 0.000 2.366 528 K HA 0.095 4.414 4.320 -0.000 0.000 0.198 528 K C 1.079 177.690 176.600 0.018 0.000 1.044 528 K CA 0.555 56.824 56.287 -0.030 0.000 0.973 528 K CB 0.063 32.572 32.500 0.015 0.000 0.767 528 K HN 0.406 nan 8.250 nan 0.000 0.475 529 I N -0.551 120.053 120.570 0.057 0.000 3.039 529 I HA 0.136 4.306 4.170 -0.000 0.000 0.270 529 I C 1.103 177.259 176.117 0.065 0.000 1.150 529 I CA 0.570 61.947 61.300 0.128 0.000 1.448 529 I CB 0.107 38.319 38.000 0.354 0.000 1.197 529 I HN 0.041 nan 8.210 nan 0.000 0.450 530 G N -0.521 108.276 108.800 -0.006 0.000 2.523 530 G HA2 0.510 4.470 3.960 -0.000 0.000 0.291 530 G HA3 0.510 4.470 3.960 -0.000 0.000 0.291 530 G C -0.694 174.091 174.900 -0.192 0.000 1.450 530 G CA -0.121 44.947 45.100 -0.052 0.000 0.790 530 G HN 0.247 nan 8.290 nan 0.000 0.496 531 G N -1.055 107.624 108.800 -0.203 0.000 2.562 531 G HA2 0.524 4.484 3.960 -0.000 0.000 0.275 531 G HA3 0.524 4.484 3.960 -0.000 0.000 0.275 531 G C -0.341 174.398 174.900 -0.269 0.000 1.196 531 G CA -0.529 44.359 45.100 -0.354 0.000 0.908 531 G HN 0.394 nan 8.290 nan 0.000 0.524 532 F N -0.658 119.219 119.950 -0.122 0.000 2.563 532 F HA 0.177 4.704 4.527 -0.000 0.000 0.363 532 F C 0.770 176.519 175.800 -0.084 0.000 1.123 532 F CA -0.728 57.193 58.000 -0.132 0.000 1.307 532 F CB 0.664 39.569 39.000 -0.157 0.000 1.115 532 F HN 0.179 nan 8.300 nan 0.000 0.592 533 L N 6.274 127.571 121.223 0.124 0.000 2.361 533 L HA 0.383 4.723 4.340 -0.000 0.000 0.278 533 L C -2.361 174.535 176.870 0.044 0.000 1.113 533 L CA -1.637 53.240 54.840 0.062 0.000 0.849 533 L CB 0.099 42.186 42.059 0.047 0.000 1.155 533 L HN 0.299 nan 8.230 nan 0.000 0.452 534 P HA 0.171 nan 4.420 nan 0.000 0.264 534 P C 0.622 177.929 177.300 0.011 0.000 1.183 534 P CA 1.079 64.192 63.100 0.021 0.000 0.763 534 P CB 0.667 32.379 31.700 0.020 0.000 0.807 535 G N 1.990 110.788 108.800 -0.002 0.000 2.217 535 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.246 535 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.246 535 G C 0.464 175.365 174.900 0.001 0.000 0.990 535 G CA 0.224 45.328 45.100 0.006 0.000 0.627 535 G HN 0.527 nan 8.290 nan 0.000 0.522 536 S N 0.884 116.560 115.700 -0.040 0.000 2.474 536 S HA 0.531 5.001 4.470 -0.000 0.000 0.224 536 S C 0.515 174.960 174.600 -0.259 0.000 1.209 536 S CA -0.549 57.580 58.200 -0.118 0.000 1.212 536 S CB 0.327 63.446 63.200 -0.135 0.000 1.137 536 S HN 0.472 nan 8.310 nan 0.000 0.446 537 L N 2.433 123.511 121.223 -0.242 0.000 2.476 537 L HA 0.344 4.684 4.340 -0.000 0.000 0.255 537 L C -2.021 174.526 176.870 -0.538 0.000 1.218 537 L CA -2.010 52.587 54.840 -0.405 0.000 0.819 537 L CB -0.052 41.840 42.059 -0.277 0.000 1.119 537 L HN 0.091 nan 8.230 nan 0.000 0.485 538 P HA 0.107 nan 4.420 nan 0.000 0.276 538 P C -1.598 175.439 177.300 -0.438 0.000 1.230 538 P CA -0.203 62.499 63.100 -0.662 0.000 0.776 538 P CB 0.874 32.093 31.700 -0.800 0.000 0.888 539 Q N 1.106 120.677 119.800 -0.383 0.000 2.472 539 Q HA 0.471 4.811 4.340 -0.000 0.000 0.281 539 Q C -1.456 174.343 176.000 -0.335 0.000 0.997 539 Q CA -0.843 54.804 55.803 -0.260 0.000 0.828 539 Q CB 0.611 29.267 28.738 -0.136 0.000 1.443 539 Q HN 0.092 nan 8.270 nan 0.000 0.390 540 F N 1.597 121.452 119.950 -0.160 0.000 2.443 540 F HA 0.292 4.819 4.527 -0.000 0.000 0.353 540 F C 0.491 176.199 175.800 -0.153 0.000 1.101 540 F CA -0.152 57.749 58.000 -0.165 0.000 1.226 540 F CB 0.894 39.800 39.000 -0.156 0.000 1.140 540 F HN 0.408 nan 8.300 nan 0.000 0.557 541 M N 1.730 121.296 119.600 -0.056 0.000 2.288 541 M HA 0.197 4.677 4.480 -0.000 0.000 0.334 541 M C 0.006 176.260 176.300 -0.076 0.000 1.150 541 M CA -1.029 54.173 55.300 -0.164 0.000 1.118 541 M CB 0.668 33.032 32.600 -0.394 0.000 1.501 541 M HN 0.445 nan 8.290 nan 0.000 0.462 542 E N 2.512 122.649 120.200 -0.105 0.000 2.608 542 E HA 0.030 4.380 4.350 -0.000 0.000 0.259 542 E C -2.209 174.360 176.600 -0.051 0.000 0.951 542 E CA -0.556 55.807 56.400 -0.061 0.000 0.945 542 E CB -0.391 29.260 29.700 -0.081 0.000 0.916 542 E HN 0.221 nan 8.360 nan 0.000 0.477 543 P HA -0.006 nan 4.420 nan 0.000 0.260 543 P C 0.692 177.890 177.300 -0.171 0.000 1.185 543 P CA 1.143 64.242 63.100 -0.002 0.000 0.763 543 P CB 0.571 32.241 31.700 -0.051 0.000 0.776 544 G N 2.596 111.299 108.800 -0.163 0.000 2.213 544 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.236 544 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.236 544 G C 0.711 175.544 174.900 -0.111 0.000 0.991 544 G CA 0.041 45.016 45.100 -0.210 0.000 0.629 544 G HN 0.499 nan 8.290 nan 0.000 0.517 545 L N 1.075 122.236 121.223 -0.104 0.000 2.265 545 L HA 0.201 4.541 4.340 -0.000 0.000 0.215 545 L C 2.796 179.650 176.870 -0.027 0.000 1.117 545 L CA 2.258 57.054 54.840 -0.073 0.000 0.782 545 L CB -0.355 41.597 42.059 -0.179 0.000 0.914 545 L HN 0.412 nan 8.230 nan 0.000 0.441 546 V N -0.311 119.556 119.914 -0.078 0.000 2.759 546 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 546 V C 1.474 177.484 176.094 -0.140 0.000 1.080 546 V CA 0.805 63.037 62.300 -0.113 0.000 1.101 546 V CB -0.254 31.506 31.823 -0.105 0.000 0.698 546 V HN 0.463 nan 8.190 nan 0.000 0.477 547 L N 0.437 121.657 121.223 -0.005 0.000 3.601 547 L HA -0.251 4.089 4.340 -0.000 0.000 0.469 547 L C 0.284 177.335 176.870 0.301 0.000 1.294 547 L CA 0.848 55.763 54.840 0.126 0.000 0.829 547 L CB -2.341 39.832 42.059 0.190 0.000 1.628 547 L HN 0.570 nan 8.230 nan 0.000 0.868 548 H N -0.762 118.431 119.070 0.205 0.000 2.510 548 H HA 0.278 4.833 4.556 -0.000 0.000 0.266 548 H C 0.529 176.015 175.328 0.262 0.000 1.146 548 H CA -1.070 55.142 56.048 0.273 0.000 0.993 548 H CB 0.731 30.704 29.762 0.352 0.000 1.727 548 H HN 0.257 nan 8.280 nan 0.000 0.590 549 L N 1.954 123.338 121.223 0.267 0.000 2.540 549 L HA 0.202 4.541 4.340 -0.000 0.000 0.276 549 L C 0.576 177.592 176.870 0.243 0.000 1.212 549 L CA 0.719 55.662 54.840 0.172 0.000 0.893 549 L CB 0.347 42.465 42.059 0.098 0.000 1.138 549 L HN 0.249 nan 8.230 nan 0.000 0.491 550 G N 2.005 110.956 108.800 0.253 0.000 2.730 550 G HA2 0.542 4.502 3.960 -0.000 0.000 0.289 550 G HA3 0.542 4.502 3.960 -0.000 0.000 0.289 550 G C 0.333 175.341 174.900 0.181 0.000 1.341 550 G CA -0.379 44.888 45.100 0.279 0.000 0.932 550 G HN 1.381 nan 8.290 nan 0.000 0.481 551 G N -1.278 107.595 108.800 0.121 0.000 2.162 551 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 551 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 551 G C 1.276 176.241 174.900 0.107 0.000 0.976 551 G CA 1.595 46.767 45.100 0.120 0.000 0.655 551 G HN 1.772 nan 8.290 nan 0.000 0.533 552 T N -2.041 112.535 114.554 0.036 0.000 2.951 552 T HA 0.131 4.481 4.350 -0.000 0.000 0.268 552 T C 1.125 175.916 174.700 0.153 0.000 1.073 552 T CA 1.838 64.006 62.100 0.113 0.000 1.134 552 T CB -0.241 68.709 68.868 0.137 0.000 0.884 552 T HN 1.407 nan 8.240 nan 0.000 0.479 553 H N 0.133 119.283 119.070 0.133 0.000 2.712 553 H HA 0.482 5.038 4.556 -0.000 0.000 0.226 553 H C 0.014 175.397 175.328 0.092 0.000 1.422 553 H CA -1.328 54.777 56.048 0.096 0.000 1.270 553 H CB -0.198 29.587 29.762 0.038 0.000 1.891 553 H HN 0.322 nan 8.280 nan 0.000 0.518 554 R N 0.710 121.280 120.500 0.116 0.000 2.679 554 R HA 0.256 4.596 4.340 -0.000 0.000 0.269 554 R C -0.398 175.966 176.300 0.107 0.000 1.076 554 R CA -0.662 55.484 56.100 0.077 0.000 1.160 554 R CB 0.896 31.236 30.300 0.067 0.000 1.054 554 R HN 0.480 nan 8.270 nan 0.000 0.507 555 M N 1.260 120.900 119.600 0.067 0.000 2.314 555 M HA 0.435 4.915 4.480 -0.000 0.000 0.342 555 M C -0.466 175.843 176.300 0.016 0.000 1.171 555 M CA 0.167 55.492 55.300 0.041 0.000 1.098 555 M CB 1.627 34.220 32.600 -0.012 0.000 1.559 555 M HN 0.944 nan 8.290 nan 0.000 0.459 556 G N 1.979 110.808 108.800 0.049 0.000 2.682 556 G HA2 0.437 4.397 3.960 -0.000 0.000 0.303 556 G HA3 0.437 4.397 3.960 -0.000 0.000 0.303 556 G C -0.891 174.001 174.900 -0.013 0.000 1.341 556 G CA -0.609 44.464 45.100 -0.045 0.000 0.784 556 G HN 0.670 nan 8.290 nan 0.000 0.497 557 F N -0.068 119.984 119.950 0.169 0.000 2.219 557 F HA 0.272 4.799 4.527 -0.000 0.000 0.294 557 F C 1.119 177.071 175.800 0.254 0.000 1.086 557 F CA 0.869 58.975 58.000 0.177 0.000 1.330 557 F CB 0.585 39.645 39.000 0.100 0.000 1.047 557 F HN 0.230 nan 8.300 nan 0.000 0.495 558 D N -0.157 120.421 120.400 0.297 0.000 2.629 558 D HA 0.057 4.697 4.640 -0.000 0.000 0.250 558 D C 0.644 176.795 176.300 -0.248 0.000 1.126 558 D CA -0.068 53.961 54.000 0.047 0.000 0.852 558 D CB 1.930 42.765 40.800 0.057 0.000 1.335 558 D HN 0.257 nan 8.370 nan 0.000 0.518 559 E N 3.798 123.524 120.200 -0.791 0.000 2.070 559 E HA -0.231 4.118 4.350 -0.000 0.000 0.197 559 E C 1.303 177.694 176.600 -0.347 0.000 1.004 559 E CA 1.232 57.066 56.400 -0.943 0.000 0.805 559 E CB 0.307 29.273 29.700 -1.224 0.000 0.744 559 E HN 0.356 nan 8.360 nan 0.000 0.451 560 K N 0.067 120.326 120.400 -0.235 0.000 1.991 560 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 560 K C 2.166 178.726 176.600 -0.065 0.000 1.045 560 K CA 1.566 57.787 56.287 -0.109 0.000 0.937 560 K CB -0.024 32.430 32.500 -0.077 0.000 0.720 560 K HN 0.201 nan 8.250 nan 0.000 0.438 561 E N 0.281 120.451 120.200 -0.050 0.000 2.204 561 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 561 E C 0.694 177.289 176.600 -0.009 0.000 0.989 561 E CA 0.770 57.163 56.400 -0.012 0.000 0.824 561 E CB 0.152 29.859 29.700 0.012 0.000 0.756 561 E HN 0.312 nan 8.360 nan 0.000 0.477 562 D N 0.303 120.688 120.400 -0.025 0.000 2.363 562 D HA 0.048 4.688 4.640 -0.000 0.000 0.214 562 D C -0.601 175.624 176.300 -0.124 0.000 1.093 562 D CA -0.038 53.941 54.000 -0.035 0.000 0.837 562 D CB 0.030 40.845 40.800 0.026 0.000 0.948 562 D HN 0.092 nan 8.370 nan 0.000 0.507 563 N N 0.818 119.444 118.700 -0.125 0.000 2.650 563 N HA -0.192 4.548 4.740 -0.000 0.000 0.272 563 N C -0.245 175.189 175.510 -0.126 0.000 1.058 563 N CA 0.403 53.364 53.050 -0.147 0.000 0.765 563 N CB -1.241 37.044 38.487 -0.338 0.000 0.902 563 N HN 0.400 nan 8.380 nan 0.000 0.551 564 C N -2.848 116.428 119.300 -0.039 0.000 3.323 564 C HA 0.744 5.203 4.460 -0.000 0.000 0.324 564 C C 1.304 176.416 174.990 0.203 0.000 1.428 564 C CA -0.714 58.352 59.018 0.081 0.000 1.368 564 C CB 1.519 29.337 27.740 0.131 0.000 1.731 564 C HN 0.526 nan 8.230 nan 0.000 0.455 565 C N 0.352 119.845 119.300 0.322 0.000 2.964 565 C HA 0.501 4.961 4.460 -0.000 0.000 0.358 565 C C 0.710 175.912 174.990 0.353 0.000 1.289 565 C CA 0.639 59.864 59.018 0.347 0.000 1.856 565 C CB -0.363 27.506 27.740 0.215 0.000 2.488 565 C HN 0.986 nan 8.230 nan 0.000 0.604 566 V N 1.325 121.350 119.914 0.186 0.000 2.914 566 V HA 0.718 4.838 4.120 -0.000 0.000 0.314 566 V C -0.758 175.041 176.094 -0.491 0.000 1.084 566 V CA -0.645 61.502 62.300 -0.256 0.000 0.963 566 V CB 1.550 33.290 31.823 -0.138 0.000 1.025 566 V HN 0.410 nan 8.190 nan 0.000 0.432 567 N N 1.059 119.214 118.700 -0.908 0.000 2.443 567 N HA 0.277 5.017 4.740 -0.000 0.000 0.294 567 N C 1.029 176.376 175.510 -0.273 0.000 1.289 567 N CA 0.252 52.961 53.050 -0.568 0.000 0.966 567 N CB -0.322 37.815 38.487 -0.583 0.000 1.122 567 N HN 0.910 nan 8.380 nan 0.000 0.569 568 T N -4.897 109.549 114.554 -0.179 0.000 3.160 568 T HA 0.046 4.396 4.350 -0.000 0.000 0.257 568 T C 0.054 174.675 174.700 -0.132 0.000 1.147 568 T CA 0.474 62.480 62.100 -0.156 0.000 1.064 568 T CB -0.399 68.396 68.868 -0.122 0.000 0.949 568 T HN 0.401 nan 8.240 nan 0.000 0.526 569 D N 1.206 121.512 120.400 -0.157 0.000 2.325 569 D HA 0.187 4.827 4.640 -0.000 0.000 0.225 569 D C 0.562 176.868 176.300 0.011 0.000 1.096 569 D CA 0.068 54.005 54.000 -0.105 0.000 0.844 569 D CB 0.046 40.671 40.800 -0.292 0.000 0.925 569 D HN 0.310 nan 8.370 nan 0.000 0.513 570 S N 0.247 115.911 115.700 -0.061 0.000 3.445 570 S HA -0.267 4.203 4.470 -0.000 0.000 0.319 570 S C 0.560 175.105 174.600 -0.092 0.000 1.209 570 S CA 0.503 58.703 58.200 0.000 0.000 0.934 570 S CB -1.308 61.991 63.200 0.166 0.000 0.999 570 S HN 0.485 nan 8.310 nan 0.000 0.582 571 R N 1.198 121.485 120.500 -0.354 0.000 2.297 571 R HA 0.452 4.792 4.340 -0.000 0.000 0.308 571 R C -0.117 175.832 176.300 -0.585 0.000 1.029 571 R CA -0.462 55.193 56.100 -0.741 0.000 0.929 571 R CB 0.702 30.500 30.300 -0.836 0.000 1.046 571 R HN 0.123 nan 8.270 nan 0.000 0.461 572 V N 6.689 126.317 119.914 -0.477 0.000 2.458 572 V HA -0.027 4.093 4.120 -0.000 0.000 0.287 572 V C 0.171 176.221 176.094 -0.074 0.000 1.009 572 V CA 0.307 62.455 62.300 -0.253 0.000 1.091 572 V CB -0.601 31.070 31.823 -0.252 0.000 0.960 572 V HN 0.588 nan 8.190 nan 0.000 0.476 573 F N 4.250 124.218 119.950 0.031 0.000 2.537 573 F HA 0.272 4.799 4.527 -0.000 0.000 0.402 573 F C 1.645 177.551 175.800 0.177 0.000 1.005 573 F CA 1.777 59.823 58.000 0.076 0.000 1.203 573 F CB -0.316 38.728 39.000 0.073 0.000 0.955 573 F HN 0.804 nan 8.300 nan 0.000 0.547 574 G N 2.202 111.158 108.800 0.261 0.000 2.241 574 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 574 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 574 G C -0.115 174.715 174.900 -0.116 0.000 0.998 574 G CA -0.413 44.735 45.100 0.080 0.000 0.621 574 G HN 0.466 nan 8.290 nan 0.000 0.519 575 F N 1.118 121.090 119.950 0.037 0.000 2.426 575 F HA 0.605 5.132 4.527 -0.000 0.000 0.348 575 F C 1.359 177.150 175.800 -0.015 0.000 1.124 575 F CA -0.940 57.072 58.000 0.021 0.000 1.008 575 F CB 1.687 40.700 39.000 0.023 0.000 1.139 575 F HN -0.230 nan 8.300 nan 0.000 0.452 576 K N 1.891 122.390 120.400 0.164 0.000 2.097 576 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 576 K C 0.888 177.715 176.600 0.377 0.000 1.049 576 K CA 1.385 57.807 56.287 0.226 0.000 0.933 576 K CB 0.013 32.648 32.500 0.225 0.000 0.717 576 K HN 0.720 nan 8.250 nan 0.000 0.442 577 N N -0.549 118.364 118.700 0.354 0.000 2.232 577 N HA 0.002 4.742 4.740 -0.000 0.000 0.240 577 N C -0.559 175.155 175.510 0.340 0.000 1.307 577 N CA -0.328 53.010 53.050 0.480 0.000 0.859 577 N CB -0.166 38.613 38.487 0.486 0.000 1.260 577 N HN -0.074 nan 8.380 nan 0.000 0.501 578 L N 0.868 122.121 121.223 0.050 0.000 2.296 578 L HA 0.708 5.048 4.340 -0.000 0.000 0.286 578 L C -1.629 174.979 176.870 -0.437 0.000 1.023 578 L CA -0.604 54.194 54.840 -0.071 0.000 0.812 578 L CB 0.649 42.595 42.059 -0.189 0.000 1.223 578 L HN -0.033 nan 8.230 nan 0.000 0.421 579 F N 4.807 124.680 119.950 -0.129 0.000 2.576 579 F HA 0.642 5.169 4.527 -0.000 0.000 0.313 579 F C -0.597 175.050 175.800 -0.254 0.000 1.078 579 F CA -0.653 57.248 58.000 -0.164 0.000 0.921 579 F CB 1.841 40.765 39.000 -0.126 0.000 1.232 579 F HN 0.211 nan 8.300 nan 0.000 0.459 580 L N 1.831 123.006 121.223 -0.081 0.000 2.346 580 L HA 0.906 5.245 4.340 -0.000 0.000 0.274 580 L C 0.018 176.897 176.870 0.015 0.000 1.007 580 L CA -0.845 53.881 54.840 -0.190 0.000 0.818 580 L CB 1.954 43.759 42.059 -0.424 0.000 1.284 580 L HN 0.774 nan 8.230 nan 0.000 0.424 581 G N 0.264 109.085 108.800 0.035 0.000 2.571 581 G HA2 0.774 4.734 3.960 -0.000 0.000 0.304 581 G HA3 0.774 4.734 3.960 -0.000 0.000 0.304 581 G C -0.556 174.475 174.900 0.219 0.000 1.314 581 G CA -0.268 44.970 45.100 0.230 0.000 0.975 581 G HN 0.968 nan 8.290 nan 0.000 0.485 582 G N -1.055 107.870 108.800 0.209 0.000 2.354 582 G HA2 0.084 4.044 3.960 -0.000 0.000 0.582 582 G HA3 0.084 4.044 3.960 -0.000 0.000 0.582 582 G C 0.864 175.828 174.900 0.106 0.000 1.316 582 G CA 0.048 45.242 45.100 0.156 0.000 0.995 582 G HN 1.226 nan 8.290 nan 0.000 0.573 583 C N 0.619 119.961 119.300 0.069 0.000 2.403 583 C HA 0.084 4.544 4.460 -0.000 0.000 0.282 583 C C 3.184 178.166 174.990 -0.014 0.000 1.297 583 C CA 1.995 61.036 59.018 0.037 0.000 1.785 583 C CB -1.516 26.282 27.740 0.096 0.000 1.963 583 C HN 1.456 nan 8.230 nan 0.000 0.507 584 G N 1.362 110.085 108.800 -0.128 0.000 2.550 584 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.222 584 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.222 584 G C 1.393 175.891 174.900 -0.670 0.000 1.113 584 G CA 1.332 46.048 45.100 -0.641 0.000 0.748 584 G HN 0.601 nan 8.290 nan 0.000 0.585 585 N N 0.288 118.820 118.700 -0.279 0.000 2.409 585 N HA 0.037 4.777 4.740 -0.000 0.000 0.179 585 N C 0.949 176.469 175.510 0.016 0.000 1.032 585 N CA 0.109 53.143 53.050 -0.026 0.000 0.898 585 N CB 0.031 38.579 38.487 0.101 0.000 0.971 585 N HN 0.323 nan 8.380 nan 0.000 0.441 586 I N 3.183 123.772 120.570 0.032 0.000 2.587 586 I HA 0.014 4.184 4.170 -0.000 0.000 0.284 586 I C -1.304 174.913 176.117 0.166 0.000 1.134 586 I CA -0.880 60.478 61.300 0.098 0.000 1.410 586 I CB 1.051 39.079 38.000 0.046 0.000 1.392 586 I HN -0.061 nan 8.210 nan 0.000 0.545 587 P HA 0.058 nan 4.420 nan 0.000 0.264 587 P C 0.278 177.662 177.300 0.139 0.000 1.259 587 P CA 0.231 63.399 63.100 0.114 0.000 0.841 587 P CB 0.227 31.953 31.700 0.044 0.000 1.232 588 T N -2.312 112.362 114.554 0.199 0.000 2.897 588 T HA 0.673 5.023 4.350 -0.000 0.000 0.278 588 T C 0.227 175.036 174.700 0.182 0.000 0.981 588 T CA -0.868 61.333 62.100 0.167 0.000 0.973 588 T CB 1.128 70.079 68.868 0.139 0.000 1.092 588 T HN 0.055 nan 8.240 nan 0.000 0.543 589 A N 1.919 124.784 122.820 0.076 0.000 2.395 589 A HA 0.570 4.890 4.320 -0.000 0.000 0.286 589 A C -0.499 177.041 177.584 -0.075 0.000 1.193 589 A CA -0.761 51.267 52.037 -0.016 0.000 0.852 589 A CB -1.118 17.895 19.000 0.023 0.000 1.118 589 A HN 0.864 nan 8.150 nan 0.000 0.524 590 Y N -0.415 119.807 120.300 -0.130 0.000 2.536 590 Y HA 0.740 5.290 4.550 -0.000 0.000 0.347 590 Y C 0.751 176.529 175.900 -0.203 0.000 1.000 590 Y CA -0.688 57.170 58.100 -0.404 0.000 1.051 590 Y CB 1.460 39.563 38.460 -0.594 0.000 1.259 590 Y HN 0.372 nan 8.280 nan 0.000 0.468 591 G N 0.328 109.051 108.800 -0.130 0.000 2.747 591 G HA2 0.398 4.358 3.960 -0.000 0.000 0.202 591 G HA3 0.398 4.358 3.960 -0.000 0.000 0.202 591 G C 0.447 175.405 174.900 0.097 0.000 1.090 591 G CA 0.143 45.334 45.100 0.151 0.000 0.779 591 G HN 0.958 nan 8.290 nan 0.000 0.535 592 A N 0.794 123.487 122.820 -0.211 0.000 2.429 592 A HA 0.446 4.766 4.320 -0.000 0.000 0.242 592 A C -0.044 177.416 177.584 -0.205 0.000 1.088 592 A CA -0.314 51.440 52.037 -0.472 0.000 0.784 592 A CB -0.007 18.755 19.000 -0.397 0.000 1.038 592 A HN 0.379 nan 8.150 nan 0.000 0.501 593 N N 1.633 120.106 118.700 -0.378 0.000 2.497 593 N HA 0.311 5.051 4.740 -0.000 0.000 0.268 593 N C -2.090 173.313 175.510 -0.178 0.000 1.171 593 N CA -1.055 51.762 53.050 -0.388 0.000 0.948 593 N CB 0.606 38.949 38.487 -0.241 0.000 1.069 593 N HN 0.419 nan 8.380 nan 0.000 0.460 594 P HA 0.059 nan 4.420 nan 0.000 0.261 594 P C 0.307 177.492 177.300 -0.192 0.000 1.268 594 P CA 0.351 63.307 63.100 -0.240 0.000 0.833 594 P CB 0.406 31.909 31.700 -0.328 0.000 1.231 595 T N 1.055 115.585 114.554 -0.041 0.000 2.708 595 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 595 T C 1.766 176.557 174.700 0.151 0.000 1.037 595 T CA 1.072 63.221 62.100 0.081 0.000 1.146 595 T CB -0.774 68.188 68.868 0.157 0.000 0.865 595 T HN 0.028 nan 8.240 nan 0.000 0.435 596 L N 0.980 122.306 121.223 0.171 0.000 2.046 596 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 596 L C 2.549 179.504 176.870 0.142 0.000 1.077 596 L CA 1.731 56.715 54.840 0.240 0.000 0.747 596 L CB -1.043 41.138 42.059 0.203 0.000 0.896 596 L HN 0.193 nan 8.230 nan 0.000 0.432 597 T N -0.298 114.212 114.554 -0.073 0.000 2.746 597 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 597 T C 1.904 176.545 174.700 -0.099 0.000 1.039 597 T CA 1.357 63.343 62.100 -0.191 0.000 1.142 597 T CB -0.525 67.828 68.868 -0.858 0.000 0.866 597 T HN 0.537 nan 8.240 nan 0.000 0.444 598 A N 1.343 124.105 122.820 -0.096 0.000 1.940 598 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 598 A C 2.290 179.857 177.584 -0.029 0.000 1.176 598 A CA 1.866 53.882 52.037 -0.035 0.000 0.631 598 A CB -0.673 18.325 19.000 -0.004 0.000 0.814 598 A HN 0.558 nan 8.150 nan 0.000 0.446 599 M N -0.521 119.065 119.600 -0.022 0.000 2.288 599 M HA -0.076 4.404 4.480 -0.000 0.000 0.266 599 M C 1.934 178.158 176.300 -0.126 0.000 1.072 599 M CA 1.759 57.017 55.300 -0.070 0.000 1.132 599 M CB -0.087 32.475 32.600 -0.063 0.000 1.386 599 M HN 0.352 nan 8.290 nan 0.000 0.432 600 S N 1.491 117.119 115.700 -0.121 0.000 2.368 600 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 600 S C 1.777 176.205 174.600 -0.287 0.000 1.030 600 S CA 1.365 59.425 58.200 -0.232 0.000 0.999 600 S CB -0.555 62.450 63.200 -0.325 0.000 0.844 600 S HN 0.521 nan 8.310 nan 0.000 0.459 601 L N 1.235 122.328 121.223 -0.217 0.000 2.012 601 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 601 L C 2.870 179.626 176.870 -0.191 0.000 1.073 601 L CA 1.359 56.078 54.840 -0.203 0.000 0.748 601 L CB -0.872 41.134 42.059 -0.088 0.000 0.891 601 L HN 0.340 nan 8.230 nan 0.000 0.431 602 A N 0.232 122.935 122.820 -0.195 0.000 1.933 602 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 602 A C 2.221 179.474 177.584 -0.551 0.000 1.175 602 A CA 1.473 53.265 52.037 -0.409 0.000 0.628 602 A CB -0.663 18.069 19.000 -0.446 0.000 0.814 602 A HN 0.357 nan 8.150 nan 0.000 0.444 603 I N -0.608 119.743 120.570 -0.364 0.000 2.226 603 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 603 I C 2.535 178.499 176.117 -0.255 0.000 1.100 603 I CA 1.777 62.903 61.300 -0.290 0.000 1.374 603 I CB -0.179 37.682 38.000 -0.231 0.000 1.057 603 I HN 0.339 nan 8.210 nan 0.000 0.413 604 K N 0.196 120.446 120.400 -0.250 0.000 2.097 604 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 604 K C 2.361 178.886 176.600 -0.126 0.000 1.049 604 K CA 1.635 57.804 56.287 -0.197 0.000 0.933 604 K CB -0.069 32.283 32.500 -0.246 0.000 0.717 604 K HN 0.150 nan 8.250 nan 0.000 0.442 605 S N -0.010 115.601 115.700 -0.149 0.000 2.368 605 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 605 S C 2.032 176.557 174.600 -0.125 0.000 1.029 605 S CA 1.317 59.484 58.200 -0.056 0.000 0.988 605 S CB -0.357 62.853 63.200 0.017 0.000 0.838 605 S HN 0.534 nan 8.310 nan 0.000 0.462 606 C N 1.578 120.712 119.300 -0.277 0.000 2.419 606 C HA 0.012 4.472 4.460 -0.000 0.000 0.281 606 C C 2.465 177.375 174.990 -0.133 0.000 1.336 606 C CA 0.656 59.524 59.018 -0.251 0.000 1.770 606 C CB -1.448 26.104 27.740 -0.314 0.000 1.929 606 C HN 0.674 nan 8.230 nan 0.000 0.509 607 E N -0.808 119.341 120.200 -0.084 0.000 2.107 607 E HA -0.200 4.149 4.350 -0.000 0.000 0.191 607 E C 1.787 178.405 176.600 0.030 0.000 0.982 607 E CA 1.105 57.487 56.400 -0.031 0.000 0.809 607 E CB -0.240 29.437 29.700 -0.038 0.000 0.756 607 E HN 0.826 nan 8.360 nan 0.000 0.459 608 Y N 1.279 121.552 120.300 -0.045 0.000 2.114 608 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 608 Y C 2.010 177.933 175.900 0.039 0.000 1.143 608 Y CA 1.493 59.608 58.100 0.025 0.000 1.135 608 Y CB -0.075 38.448 38.460 0.106 0.000 0.980 608 Y HN -0.068 nan 8.280 nan 0.000 0.499 609 I N 0.458 121.078 120.570 0.084 0.000 2.151 609 I HA -0.382 3.788 4.170 -0.000 0.000 0.243 609 I C 2.213 178.358 176.117 0.047 0.000 1.080 609 I CA 1.875 63.187 61.300 0.020 0.000 1.339 609 I CB -0.410 37.395 38.000 -0.325 0.000 1.039 609 I HN 0.198 nan 8.210 nan 0.000 0.409 610 K N 0.184 120.572 120.400 -0.020 0.000 2.280 610 K HA -0.189 4.131 4.320 -0.000 0.000 0.202 610 K C 2.014 178.660 176.600 0.076 0.000 1.047 610 K CA 1.050 57.396 56.287 0.098 0.000 0.942 610 K CB -0.042 32.498 32.500 0.066 0.000 0.739 610 K HN 0.486 nan 8.250 nan 0.000 0.457 611 Q N -0.371 119.402 119.800 -0.044 0.000 2.339 611 Q HA 0.059 4.399 4.340 -0.000 0.000 0.205 611 Q C 1.017 176.909 176.000 -0.180 0.000 0.925 611 Q CA 0.575 56.314 55.803 -0.108 0.000 0.898 611 Q CB 0.382 29.023 28.738 -0.161 0.000 1.013 611 Q HN 0.370 nan 8.270 nan 0.000 0.504 612 N N -0.539 117.994 118.700 -0.279 0.000 2.205 612 N HA 0.157 4.897 4.740 -0.000 0.000 0.201 612 N C -0.860 174.254 175.510 -0.661 0.000 1.128 612 N CA 0.246 53.002 53.050 -0.491 0.000 0.867 612 N CB 0.755 38.803 38.487 -0.732 0.000 0.996 612 N HN 0.003 nan 8.380 nan 0.000 0.503 613 F N 0.199 120.161 119.950 0.020 0.000 2.578 613 F HA 0.294 4.821 4.527 -0.000 0.000 0.311 613 F C 0.041 175.961 175.800 0.200 0.000 1.094 613 F CA -0.761 57.311 58.000 0.120 0.000 0.923 613 F CB 1.805 40.890 39.000 0.141 0.000 1.230 613 F HN -0.345 nan 8.300 nan 0.000 0.450 614 T N 3.502 118.226 114.554 0.284 0.000 2.795 614 T HA 0.450 4.800 4.350 -0.000 0.000 0.282 614 T C -2.574 172.117 174.700 -0.015 0.000 0.980 614 T CA -1.505 60.646 62.100 0.085 0.000 1.012 614 T CB 1.275 70.158 68.868 0.024 0.000 0.936 614 T HN 0.124 nan 8.240 nan 0.000 0.457 615 P HA 0.164 nan 4.420 nan 0.000 0.268 615 P C -0.065 177.130 177.300 -0.175 0.000 1.208 615 P CA -0.421 62.392 63.100 -0.480 0.000 0.777 615 P CB 0.362 31.646 31.700 -0.693 0.000 0.875 616 S N 1.783 117.419 115.700 -0.108 0.000 2.655 616 S HA 0.553 5.023 4.470 -0.000 0.000 0.265 616 S C -2.363 172.196 174.600 -0.068 0.000 1.240 616 S CA -1.193 56.970 58.200 -0.062 0.000 0.986 616 S CB -0.765 62.408 63.200 -0.045 0.000 0.985 616 S HN 0.264 nan 8.310 nan 0.000 0.562 617 P HA 0.316 nan 4.420 nan 0.000 0.281 617 P C -0.059 177.273 177.300 0.053 0.000 1.252 617 P CA -0.615 62.495 63.100 0.016 0.000 0.778 617 P CB 0.046 31.760 31.700 0.024 0.000 0.895 618 F N 0.000 119.931 119.950 -0.032 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.987 58.000 -0.022 0.000 1.383 618 F CB 0.000 38.989 39.000 -0.018 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574