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 2cvt_1_A DATA FIRST_RESID 76 DATA SEQUENCE TLAARIAISN LHKQTTKQFS KVVEDLYRYV NAATGKPAPM ISDDVYNIVM DATA SEQUENCE ENKDKLNSAI VYDRDFQYSY FGFKTLERSY LLRINGQVAE RPQHLIMRVA DATA SEQUENCE LGIHGRDIEA ALETYNLMSL KYFTHASPTL FNAGTPKPQM SSCFLVAMKE DATA SEQUENCE DSIEGIYDTL KECALISKTA GGIGLHIHNI RSTGSYIAGT NGTSNGLIPM DATA SEQUENCE IRVFNNTARY VDQGGNKRPG AFALYLEPWH ADIFDFIDIR KNHGKEEIRA DATA SEQUENCE RDLFPALWIP DLFMKRVEEN GTWTLFSPTS APGLSDCYGD EFEALYTRYE DATA SEQUENCE KEGRGKTIKA QKLWYSILEA QTETGTPFVV YKDACNRKSN QKNLGVIKSS DATA SEQUENCE NLCCEIVEYS APDETAVCNL ASVALPAFIE TXXXXKTSTY NFKKLHEIAK DATA SEQUENCE VVTRNLNRVI DRNYYPVEEA RKSNMRHRPI ALGVQGLADT FMLLRLPFDS DATA SEQUENCE EEARLLNIQI FETIYHASME ASCELAQKDG PYETFQGSPA SQGILQFDMW DATA SEQUENCE DQKPYGMWDW DTLRKDIMKH GVRNSLTMAP MPTASTXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXNPYL LRDLVDLGIW DEGMKQYLIT QNGSIQGLPN DATA SEQUENCE VPQELKDLYK TVWEISQKTI INMAADRSVY IDQSHSLNLF LRAPTMGKLT DATA SEQUENCE SMHFYGWKKG LKTGMYYLRT Q 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 76 T HA 0.000 nan 4.350 nan 0.000 0.228 76 T C 0.000 174.747 174.700 0.079 0.000 1.109 76 T CA 0.000 62.181 62.100 0.134 0.000 1.349 76 T CB 0.000 68.909 68.868 0.068 0.000 0.612 77 L N 2.043 123.307 121.223 0.069 0.000 2.293 77 L HA 1.005 5.344 4.340 -0.002 0.000 0.264 77 L C 0.257 177.097 176.870 -0.050 0.000 1.029 77 L CA -0.800 54.001 54.840 -0.065 0.000 0.897 77 L CB 1.193 43.098 42.059 -0.258 0.000 1.497 77 L HN 0.868 nan 8.230 nan 0.000 0.495 78 A N 0.827 123.594 122.820 -0.088 0.000 3.056 78 A HA 0.654 4.973 4.320 -0.002 0.000 0.274 78 A C 0.277 177.824 177.584 -0.062 0.000 1.661 78 A CA 0.448 52.443 52.037 -0.070 0.000 1.363 78 A CB -1.121 17.831 19.000 -0.080 0.000 1.139 78 A HN 1.059 nan 8.150 nan 0.000 0.598 79 A N 0.846 123.645 122.820 -0.034 0.000 2.431 79 A HA 0.226 4.545 4.320 -0.002 0.000 0.221 79 A C 1.245 178.826 177.584 -0.006 0.000 1.291 79 A CA -0.226 51.799 52.037 -0.021 0.000 1.135 79 A CB -0.097 18.893 19.000 -0.015 0.000 1.095 79 A HN 0.528 nan 8.150 nan 0.000 0.461 80 R N 0.390 120.893 120.500 0.005 0.000 2.303 80 R HA -0.155 4.184 4.340 -0.002 0.000 0.225 80 R C 1.801 178.091 176.300 -0.018 0.000 1.114 80 R CA 1.656 57.766 56.100 0.016 0.000 1.007 80 R CB -0.707 29.609 30.300 0.028 0.000 0.861 80 R HN 0.813 nan 8.270 nan 0.000 0.471 81 I N -1.723 118.827 120.570 -0.034 0.000 2.264 81 I HA -0.191 3.978 4.170 -0.002 0.000 0.248 81 I C 2.220 178.304 176.117 -0.056 0.000 1.111 81 I CA 1.634 62.912 61.300 -0.036 0.000 1.382 81 I CB -0.705 37.276 38.000 -0.031 0.000 1.060 81 I HN -0.083 nan 8.210 nan 0.000 0.418 82 A N 0.993 123.753 122.820 -0.101 0.000 2.070 82 A HA -0.038 4.280 4.320 -0.002 0.000 0.220 82 A C 2.294 179.634 177.584 -0.407 0.000 1.159 82 A CA 1.850 53.778 52.037 -0.182 0.000 0.656 82 A CB -0.969 17.935 19.000 -0.159 0.000 0.800 82 A HN 0.590 nan 8.150 nan 0.000 0.453 83 I N -0.085 120.251 120.570 -0.389 0.000 2.188 83 I HA -0.170 3.999 4.170 -0.002 0.000 0.237 83 I C 2.860 179.017 176.117 0.067 0.000 1.073 83 I CA 1.527 62.588 61.300 -0.398 0.000 1.359 83 I CB -0.401 37.574 38.000 -0.042 0.000 1.083 83 I HN 0.426 nan 8.210 nan 0.000 0.412 84 S N 0.311 116.143 115.700 0.221 0.000 2.406 84 S HA -0.078 4.391 4.470 -0.002 0.000 0.224 84 S C 1.761 176.492 174.600 0.217 0.000 1.030 84 S CA 0.996 59.416 58.200 0.367 0.000 0.958 84 S CB -0.584 62.754 63.200 0.229 0.000 0.811 84 S HN 0.315 nan 8.310 nan 0.000 0.489 85 N N 1.343 120.104 118.700 0.102 0.000 2.396 85 N HA 0.151 4.890 4.740 -0.002 0.000 0.180 85 N C 1.108 176.672 175.510 0.090 0.000 1.028 85 N CA 0.762 53.856 53.050 0.074 0.000 0.893 85 N CB -0.343 38.162 38.487 0.030 0.000 0.967 85 N HN 0.497 nan 8.380 nan 0.000 0.440 86 L N -1.673 119.604 121.223 0.091 0.000 2.728 86 L HA 0.201 4.540 4.340 -0.002 0.000 0.238 86 L C 0.934 177.905 176.870 0.169 0.000 1.143 86 L CA -0.010 54.894 54.840 0.108 0.000 0.937 86 L CB -0.073 42.033 42.059 0.078 0.000 1.225 86 L HN 0.214 nan 8.230 nan 0.000 0.507 87 H N 0.362 119.511 119.070 0.131 0.000 2.547 87 H HA 0.056 4.611 4.556 -0.002 0.000 0.266 87 H C 1.839 177.237 175.328 0.116 0.000 0.988 87 H CA 0.575 56.718 56.048 0.157 0.000 1.147 87 H CB 0.498 30.381 29.762 0.201 0.000 1.365 87 H HN 0.209 nan 8.280 nan 0.000 0.589 88 K N -0.285 120.252 120.400 0.230 0.000 2.168 88 K HA -0.026 4.293 4.320 -0.002 0.000 0.201 88 K C 1.375 178.042 176.600 0.111 0.000 1.049 88 K CA 0.591 56.966 56.287 0.147 0.000 0.974 88 K CB 0.326 32.887 32.500 0.101 0.000 0.792 88 K HN 0.196 nan 8.250 nan 0.000 0.463 89 Q N 0.941 120.801 119.800 0.099 0.000 2.431 89 Q HA -0.012 4.326 4.340 -0.002 0.000 0.210 89 Q C -0.240 175.801 176.000 0.069 0.000 0.958 89 Q CA 0.519 56.366 55.803 0.073 0.000 0.957 89 Q CB 0.206 28.983 28.738 0.065 0.000 1.007 89 Q HN 0.264 nan 8.270 nan 0.000 0.511 90 T N -3.568 111.041 114.554 0.091 0.000 2.829 90 T HA 0.416 4.765 4.350 -0.002 0.000 0.282 90 T C 0.336 175.083 174.700 0.079 0.000 0.990 90 T CA -0.800 61.345 62.100 0.075 0.000 1.028 90 T CB 1.906 70.826 68.868 0.087 0.000 0.951 90 T HN -0.015 nan 8.240 nan 0.000 0.460 91 T N 1.338 115.915 114.554 0.037 0.000 2.652 91 T HA 0.228 4.577 4.350 -0.002 0.000 0.319 91 T C 1.119 175.860 174.700 0.069 0.000 1.029 91 T CA -0.451 61.669 62.100 0.034 0.000 0.990 91 T CB 0.234 69.104 68.868 0.004 0.000 1.098 91 T HN 0.687 nan 8.240 nan 0.000 0.520 92 K N 0.601 121.036 120.400 0.058 0.000 2.183 92 K HA 0.193 4.511 4.320 -0.002 0.000 0.218 92 K C 0.758 177.424 176.600 0.111 0.000 1.025 92 K CA 0.530 56.838 56.287 0.034 0.000 0.944 92 K CB -0.568 31.928 32.500 -0.006 0.000 0.936 92 K HN 0.568 nan 8.250 nan 0.000 0.460 93 Q N 1.148 121.033 119.800 0.141 0.000 2.349 93 Q HA 0.118 4.456 4.340 -0.002 0.000 0.254 93 Q C 0.274 176.497 176.000 0.373 0.000 0.980 93 Q CA -0.409 55.535 55.803 0.235 0.000 0.924 93 Q CB 0.494 29.316 28.738 0.140 0.000 1.209 93 Q HN 0.146 nan 8.270 nan 0.000 0.445 94 F N 2.513 122.719 119.950 0.426 0.000 2.098 94 F HA -0.499 4.027 4.527 -0.002 0.000 0.285 94 F C 1.829 177.761 175.800 0.220 0.000 1.096 94 F CA 2.684 60.936 58.000 0.420 0.000 1.301 94 F CB -0.532 38.579 39.000 0.184 0.000 0.934 94 F HN 0.571 nan 8.300 nan 0.000 0.508 95 S N -0.178 115.632 115.700 0.183 0.000 2.372 95 S HA -0.341 4.127 4.470 -0.002 0.000 0.227 95 S C 2.030 176.611 174.600 -0.032 0.000 1.044 95 S CA 1.838 60.051 58.200 0.023 0.000 1.050 95 S CB -0.646 62.599 63.200 0.076 0.000 0.901 95 S HN 0.500 nan 8.310 nan 0.000 0.447 96 K N 1.062 121.472 120.400 0.018 0.000 2.025 96 K HA -0.063 4.256 4.320 -0.002 0.000 0.207 96 K C 2.115 178.699 176.600 -0.027 0.000 1.049 96 K CA 1.369 57.665 56.287 0.015 0.000 0.933 96 K CB -0.381 32.138 32.500 0.032 0.000 0.714 96 K HN 0.293 nan 8.250 nan 0.000 0.438 97 V N 1.286 121.150 119.914 -0.084 0.000 2.282 97 V HA -0.273 3.846 4.120 -0.002 0.000 0.249 97 V C 2.502 178.487 176.094 -0.182 0.000 1.057 97 V CA 1.762 63.949 62.300 -0.189 0.000 1.032 97 V CB -0.658 30.909 31.823 -0.427 0.000 0.645 97 V HN 0.098 nan 8.190 nan 0.000 0.447 98 V N 0.027 119.787 119.914 -0.257 0.000 2.255 98 V HA -0.313 3.806 4.120 -0.002 0.000 0.247 98 V C 2.590 178.728 176.094 0.074 0.000 1.051 98 V CA 2.417 64.622 62.300 -0.160 0.000 1.018 98 V CB -0.728 30.936 31.823 -0.267 0.000 0.641 98 V HN 0.616 nan 8.190 nan 0.000 0.445 99 E N 0.902 121.169 120.200 0.112 0.000 2.033 99 E HA -0.273 4.076 4.350 -0.002 0.000 0.199 99 E C 1.731 178.423 176.600 0.153 0.000 1.011 99 E CA 2.261 58.795 56.400 0.224 0.000 0.815 99 E CB -0.582 29.213 29.700 0.157 0.000 0.755 99 E HN 0.681 nan 8.360 nan 0.000 0.451 100 D N -0.506 119.942 120.400 0.079 0.000 2.126 100 D HA -0.205 4.434 4.640 -0.002 0.000 0.190 100 D C 1.991 178.349 176.300 0.098 0.000 1.001 100 D CA 1.729 55.770 54.000 0.069 0.000 0.841 100 D CB -0.200 40.617 40.800 0.029 0.000 0.949 100 D HN 0.190 nan 8.370 nan 0.000 0.446 101 L N -0.932 120.327 121.223 0.060 0.000 2.072 101 L HA -0.150 4.189 4.340 -0.002 0.000 0.205 101 L C 2.177 179.092 176.870 0.075 0.000 1.079 101 L CA 0.825 55.684 54.840 0.033 0.000 0.752 101 L CB -0.362 41.683 42.059 -0.023 0.000 0.906 101 L HN 0.149 nan 8.230 nan 0.000 0.436 102 Y N 0.674 120.948 120.300 -0.044 0.000 2.128 102 Y HA -0.216 4.333 4.550 -0.002 0.000 0.284 102 Y C 2.529 178.347 175.900 -0.137 0.000 1.154 102 Y CA 1.543 59.558 58.100 -0.140 0.000 1.149 102 Y CB -0.003 38.266 38.460 -0.319 0.000 0.976 102 Y HN -0.033 nan 8.280 nan 0.000 0.505 103 R N -0.479 119.976 120.500 -0.075 0.000 2.299 103 R HA -0.077 4.262 4.340 -0.002 0.000 0.197 103 R C -0.044 176.194 176.300 -0.104 0.000 0.971 103 R CA -0.049 55.963 56.100 -0.148 0.000 1.030 103 R CB -1.294 28.994 30.300 -0.020 0.000 0.932 103 R HN 0.375 nan 8.270 nan 0.000 0.477 104 Y N 0.705 120.912 120.300 -0.155 0.000 2.890 104 Y HA -0.094 4.455 4.550 -0.002 0.000 0.341 104 Y C 0.037 175.861 175.900 -0.127 0.000 1.269 104 Y CA 0.497 58.528 58.100 -0.116 0.000 1.517 104 Y CB 0.575 38.976 38.460 -0.098 0.000 1.314 104 Y HN -0.300 nan 8.280 nan 0.000 0.622 105 V N 5.445 124.864 119.914 -0.825 0.000 2.925 105 V HA 0.137 4.256 4.120 -0.002 0.000 0.311 105 V C -0.450 175.276 176.094 -0.613 0.000 1.104 105 V CA -1.560 60.429 62.300 -0.518 0.000 0.954 105 V CB 1.927 33.546 31.823 -0.340 0.000 1.022 105 V HN 0.812 nan 8.190 nan 0.000 0.427 106 N N 3.138 121.707 118.700 -0.219 0.000 2.605 106 N HA 0.065 4.804 4.740 -0.002 0.000 0.282 106 N C 0.428 175.866 175.510 -0.120 0.000 1.206 106 N CA 0.139 53.136 53.050 -0.090 0.000 1.074 106 N CB 0.919 39.394 38.487 -0.020 0.000 1.434 106 N HN 0.893 nan 8.380 nan 0.000 0.506 107 A N 2.847 125.571 122.820 -0.160 0.000 3.017 107 A HA 0.393 4.711 4.320 -0.002 0.000 0.283 107 A C 1.206 178.757 177.584 -0.056 0.000 1.892 107 A CA 0.583 52.550 52.037 -0.118 0.000 1.469 107 A CB -0.827 18.104 19.000 -0.115 0.000 0.999 107 A HN 0.891 nan 8.150 nan 0.000 0.605 108 A N 0.339 123.128 122.820 -0.052 0.000 2.422 108 A HA 0.070 4.388 4.320 -0.002 0.000 0.219 108 A C 1.231 178.796 177.584 -0.032 0.000 2.882 108 A CA 0.974 52.992 52.037 -0.032 0.000 1.556 108 A CB -0.962 18.028 19.000 -0.017 0.000 0.203 108 A HN 1.661 nan 8.150 nan 0.000 0.539 109 T N -2.961 111.570 114.554 -0.039 0.000 3.130 109 T HA 0.461 4.810 4.350 -0.002 0.000 0.288 109 T C 1.479 176.151 174.700 -0.047 0.000 0.936 109 T CA 1.403 63.481 62.100 -0.036 0.000 0.897 109 T CB 0.071 68.922 68.868 -0.028 0.000 1.178 109 T HN 2.181 nan 8.240 nan 0.000 0.543 110 G N 2.485 111.248 108.800 -0.062 0.000 2.395 110 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.292 110 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.292 110 G C -0.357 174.499 174.900 -0.073 0.000 0.953 110 G CA 0.392 45.446 45.100 -0.077 0.000 1.207 110 G HN 0.725 nan 8.290 nan 0.000 0.503 111 K N 1.142 121.499 120.400 -0.073 0.000 2.244 111 K HA 0.398 4.717 4.320 -0.002 0.000 0.260 111 K C -2.341 174.212 176.600 -0.078 0.000 0.951 111 K CA -2.145 54.103 56.287 -0.064 0.000 0.826 111 K CB 2.507 34.981 32.500 -0.044 0.000 1.108 111 K HN 0.029 nan 8.250 nan 0.000 0.433 112 P HA -0.032 nan 4.420 nan 0.000 0.260 112 P C -0.994 176.261 177.300 -0.075 0.000 1.207 112 P CA 0.020 63.056 63.100 -0.107 0.000 0.780 112 P CB 0.495 32.120 31.700 -0.125 0.000 0.789 113 A N 5.891 128.699 122.820 -0.019 0.000 3.064 113 A HA 0.541 4.860 4.320 -0.002 0.000 0.339 113 A C -2.416 175.201 177.584 0.055 0.000 1.078 113 A CA -1.650 50.420 52.037 0.056 0.000 0.869 113 A CB 0.103 19.221 19.000 0.197 0.000 1.067 113 A HN 0.280 nan 8.150 nan 0.000 0.480 114 P HA 0.303 nan 4.420 nan 0.000 0.274 114 P C 0.299 177.546 177.300 -0.088 0.000 1.246 114 P CA -0.082 62.926 63.100 -0.153 0.000 0.795 114 P CB 0.554 32.089 31.700 -0.275 0.000 1.006 115 M N 0.403 119.967 119.600 -0.060 0.000 2.875 115 M HA 0.387 4.866 4.480 -0.002 0.000 0.403 115 M C -0.592 175.718 176.300 0.017 0.000 1.304 115 M CA 0.179 55.447 55.300 -0.053 0.000 0.854 115 M CB 0.200 32.736 32.600 -0.108 0.000 1.415 115 M HN 0.218 nan 8.290 nan 0.000 0.505 116 I N 0.468 121.087 120.570 0.082 0.000 2.743 116 I HA 0.196 4.365 4.170 -0.002 0.000 0.292 116 I C -0.236 176.016 176.117 0.224 0.000 1.343 116 I CA -0.094 61.308 61.300 0.170 0.000 1.038 116 I CB 2.501 40.654 38.000 0.256 0.000 1.311 116 I HN 0.145 nan 8.210 nan 0.000 0.426 117 S N 3.593 119.392 115.700 0.166 0.000 2.565 117 S HA 0.246 4.715 4.470 -0.002 0.000 0.274 117 S C 0.498 175.232 174.600 0.225 0.000 1.309 117 S CA -0.789 57.504 58.200 0.156 0.000 1.043 117 S CB 1.134 64.391 63.200 0.095 0.000 0.939 117 S HN 0.582 nan 8.310 nan 0.000 0.504 118 D N 2.163 122.713 120.400 0.250 0.000 2.321 118 D HA -0.253 4.386 4.640 -0.002 0.000 0.194 118 D C 1.502 177.893 176.300 0.150 0.000 1.013 118 D CA 2.130 56.270 54.000 0.235 0.000 0.863 118 D CB -0.804 40.101 40.800 0.175 0.000 1.011 118 D HN 0.873 nan 8.370 nan 0.000 0.457 119 D N -0.103 120.364 120.400 0.113 0.000 2.569 119 D HA -0.224 4.415 4.640 -0.002 0.000 0.191 119 D C 1.879 178.221 176.300 0.070 0.000 1.042 119 D CA 2.542 56.591 54.000 0.082 0.000 0.873 119 D CB -0.296 40.550 40.800 0.077 0.000 0.946 119 D HN 0.149 nan 8.370 nan 0.000 0.467 120 V N -0.866 119.099 119.914 0.086 0.000 2.346 120 V HA -0.152 3.967 4.120 -0.002 0.000 0.244 120 V C 2.001 178.122 176.094 0.045 0.000 1.037 120 V CA 1.653 63.998 62.300 0.074 0.000 1.029 120 V CB -0.952 30.928 31.823 0.094 0.000 0.663 120 V HN 0.356 nan 8.190 nan 0.000 0.454 121 Y N 2.715 122.940 120.300 -0.124 0.000 2.030 121 Y HA -0.365 4.184 4.550 -0.002 0.000 0.272 121 Y C 2.520 178.285 175.900 -0.225 0.000 1.185 121 Y CA 2.393 60.309 58.100 -0.307 0.000 1.120 121 Y CB -0.635 37.319 38.460 -0.844 0.000 0.955 121 Y HN 0.358 nan 8.280 nan 0.000 0.495 122 N N 0.552 119.103 118.700 -0.248 0.000 2.149 122 N HA -0.210 4.529 4.740 -0.002 0.000 0.188 122 N C 2.023 177.421 175.510 -0.186 0.000 1.019 122 N CA 2.010 54.903 53.050 -0.262 0.000 0.857 122 N CB -0.555 37.883 38.487 -0.081 0.000 0.997 122 N HN 0.498 nan 8.380 nan 0.000 0.426 123 I N 1.011 121.522 120.570 -0.098 0.000 2.335 123 I HA -0.195 3.974 4.170 -0.002 0.000 0.251 123 I C 1.977 178.054 176.117 -0.066 0.000 1.129 123 I CA 0.810 62.078 61.300 -0.053 0.000 1.402 123 I CB -0.203 37.797 38.000 0.001 0.000 1.069 123 I HN -0.082 nan 8.210 nan 0.000 0.424 124 V N 0.068 119.918 119.914 -0.107 0.000 2.548 124 V HA -0.202 3.917 4.120 -0.002 0.000 0.249 124 V C 2.419 178.433 176.094 -0.133 0.000 1.055 124 V CA 1.219 63.485 62.300 -0.056 0.000 1.065 124 V CB -0.431 31.360 31.823 -0.053 0.000 0.681 124 V HN 0.337 nan 8.190 nan 0.000 0.462 125 M N -0.210 119.214 119.600 -0.293 0.000 2.134 125 M HA -0.059 4.420 4.480 -0.002 0.000 0.262 125 M C 2.136 178.347 176.300 -0.148 0.000 1.076 125 M CA 1.348 56.484 55.300 -0.274 0.000 1.143 125 M CB -1.283 31.052 32.600 -0.441 0.000 1.346 125 M HN 0.337 nan 8.290 nan 0.000 0.421 126 E N 0.493 120.613 120.200 -0.134 0.000 2.339 126 E HA -0.213 4.136 4.350 -0.002 0.000 0.201 126 E C 0.615 177.184 176.600 -0.053 0.000 1.015 126 E CA 1.117 57.471 56.400 -0.078 0.000 0.841 126 E CB -0.180 29.481 29.700 -0.064 0.000 0.754 126 E HN 0.558 nan 8.360 nan 0.000 0.508 127 N N -1.344 117.326 118.700 -0.049 0.000 2.118 127 N HA 0.002 4.741 4.740 -0.002 0.000 0.226 127 N C 0.660 176.158 175.510 -0.020 0.000 1.305 127 N CA -0.040 52.990 53.050 -0.033 0.000 0.890 127 N CB 0.536 39.004 38.487 -0.031 0.000 1.118 127 N HN 0.050 nan 8.380 nan 0.000 0.511 128 K N 0.879 121.271 120.400 -0.015 0.000 2.163 128 K HA -0.258 4.060 4.320 -0.002 0.000 0.210 128 K C 0.649 177.261 176.600 0.021 0.000 1.048 128 K CA 1.751 58.052 56.287 0.023 0.000 0.928 128 K CB -0.190 32.316 32.500 0.010 0.000 0.716 128 K HN 0.136 nan 8.250 nan 0.000 0.459 129 D N 1.429 121.828 120.400 -0.001 0.000 2.106 129 D HA -0.189 4.450 4.640 -0.002 0.000 0.194 129 D C 1.845 178.135 176.300 -0.016 0.000 0.988 129 D CA 1.524 55.522 54.000 -0.004 0.000 0.845 129 D CB -0.209 40.586 40.800 -0.010 0.000 0.990 129 D HN 0.317 nan 8.370 nan 0.000 0.448 130 K N -0.010 120.371 120.400 -0.032 0.000 2.360 130 K HA -0.159 4.160 4.320 -0.002 0.000 0.201 130 K C 1.924 178.468 176.600 -0.093 0.000 1.046 130 K CA 0.453 56.707 56.287 -0.054 0.000 0.940 130 K CB 0.059 32.526 32.500 -0.055 0.000 0.748 130 K HN -0.048 nan 8.250 nan 0.000 0.465 131 L N 1.024 122.192 121.223 -0.092 0.000 2.115 131 L HA -0.078 4.261 4.340 -0.002 0.000 0.200 131 L C 1.737 178.481 176.870 -0.210 0.000 1.094 131 L CA 1.393 56.124 54.840 -0.182 0.000 0.769 131 L CB -0.971 41.011 42.059 -0.129 0.000 0.931 131 L HN 0.175 nan 8.230 nan 0.000 0.455 132 N N 0.029 118.701 118.700 -0.048 0.000 2.069 132 N HA -0.256 4.483 4.740 -0.002 0.000 0.196 132 N C 1.879 177.393 175.510 0.007 0.000 1.024 132 N CA 1.978 55.055 53.050 0.045 0.000 0.869 132 N CB -0.729 37.838 38.487 0.133 0.000 1.035 132 N HN 0.504 nan 8.380 nan 0.000 0.434 133 S N 1.476 117.167 115.700 -0.015 0.000 2.377 133 S HA -0.201 4.267 4.470 -0.002 0.000 0.224 133 S C 2.252 176.808 174.600 -0.072 0.000 1.042 133 S CA 1.843 60.030 58.200 -0.021 0.000 1.086 133 S CB -0.985 62.198 63.200 -0.029 0.000 0.995 133 S HN 0.461 nan 8.310 nan 0.000 0.428 134 A N 2.527 125.257 122.820 -0.150 0.000 1.927 134 A HA 0.013 4.332 4.320 -0.002 0.000 0.220 134 A C 1.358 178.759 177.584 -0.306 0.000 1.185 134 A CA 1.440 53.343 52.037 -0.225 0.000 0.639 134 A CB -1.240 17.574 19.000 -0.310 0.000 0.820 134 A HN 0.654 nan 8.150 nan 0.000 0.451 135 I N -0.520 119.784 120.570 -0.444 0.000 2.892 135 I HA 0.155 4.324 4.170 -0.002 0.000 0.287 135 I C 0.268 176.206 176.117 -0.297 0.000 1.205 135 I CA 0.355 61.316 61.300 -0.565 0.000 1.409 135 I CB 0.985 38.493 38.000 -0.819 0.000 1.367 135 I HN 0.142 nan 8.210 nan 0.000 0.597 136 V N 6.039 125.809 119.914 -0.240 0.000 2.454 136 V HA 0.218 4.336 4.120 -0.002 0.000 0.267 136 V C -0.137 175.896 176.094 -0.102 0.000 0.993 136 V CA -0.392 61.859 62.300 -0.082 0.000 0.836 136 V CB 0.433 32.258 31.823 0.003 0.000 1.055 136 V HN 0.648 nan 8.190 nan 0.000 0.452 137 Y N 1.619 121.914 120.300 -0.008 0.000 2.651 137 Y HA -0.035 4.514 4.550 -0.002 0.000 0.293 137 Y C 2.027 177.830 175.900 -0.163 0.000 1.151 137 Y CA 1.376 59.461 58.100 -0.024 0.000 1.362 137 Y CB -0.341 38.138 38.460 0.032 0.000 0.973 137 Y HN 0.577 nan 8.280 nan 0.000 0.561 138 D N -0.016 120.401 120.400 0.029 0.000 2.269 138 D HA -0.100 4.538 4.640 -0.002 0.000 0.208 138 D C 1.807 178.054 176.300 -0.087 0.000 0.963 138 D CA 0.608 54.626 54.000 0.030 0.000 0.864 138 D CB -0.110 40.807 40.800 0.196 0.000 0.936 138 D HN 0.415 nan 8.370 nan 0.000 0.505 139 R N 0.714 121.169 120.500 -0.075 0.000 2.241 139 R HA -0.089 4.250 4.340 -0.002 0.000 0.224 139 R C 1.159 177.442 176.300 -0.030 0.000 1.101 139 R CA 0.627 56.690 56.100 -0.063 0.000 0.995 139 R CB 0.092 30.338 30.300 -0.089 0.000 0.870 139 R HN 0.043 nan 8.270 nan 0.000 0.463 140 D N -0.406 119.897 120.400 -0.163 0.000 2.348 140 D HA -0.092 4.547 4.640 -0.002 0.000 0.216 140 D C 0.961 177.281 176.300 0.033 0.000 0.970 140 D CA 0.902 54.878 54.000 -0.040 0.000 0.889 140 D CB 0.026 40.798 40.800 -0.046 0.000 0.912 140 D HN 0.262 nan 8.370 nan 0.000 0.524 141 F N 0.637 120.740 119.950 0.255 0.000 2.473 141 F HA 0.036 4.562 4.527 -0.002 0.000 0.294 141 F C 1.318 177.206 175.800 0.146 0.000 1.103 141 F CA -0.107 58.002 58.000 0.181 0.000 1.442 141 F CB -0.081 38.982 39.000 0.104 0.000 1.097 141 F HN -0.190 nan 8.300 nan 0.000 0.547 142 Q N 1.239 121.168 119.800 0.214 0.000 3.223 142 Q HA 0.094 4.433 4.340 -0.002 0.000 0.299 142 Q C -1.504 174.406 176.000 -0.150 0.000 1.385 142 Q CA 0.489 56.300 55.803 0.013 0.000 0.942 142 Q CB -1.089 27.582 28.738 -0.111 0.000 1.748 142 Q HN 0.431 nan 8.270 nan 0.000 0.523 143 Y N -0.524 119.820 120.300 0.072 0.000 2.470 143 Y HA 0.178 4.726 4.550 -0.002 0.000 0.341 143 Y C 0.250 176.193 175.900 0.071 0.000 1.021 143 Y CA -0.857 57.278 58.100 0.058 0.000 1.025 143 Y CB 2.026 40.558 38.460 0.119 0.000 1.266 143 Y HN 0.190 nan 8.280 nan 0.000 0.448 144 S N 2.994 118.770 115.700 0.126 0.000 2.549 144 S HA -0.029 4.440 4.470 -0.002 0.000 0.286 144 S C 1.183 175.796 174.600 0.023 0.000 1.314 144 S CA -0.089 58.102 58.200 -0.015 0.000 1.062 144 S CB 0.138 63.223 63.200 -0.192 0.000 0.865 144 S HN 0.636 nan 8.310 nan 0.000 0.498 145 Y N 4.124 124.538 120.300 0.190 0.000 2.030 145 Y HA -0.230 4.319 4.550 -0.002 0.000 0.272 145 Y C 1.925 178.006 175.900 0.302 0.000 1.185 145 Y CA 1.976 60.191 58.100 0.192 0.000 1.120 145 Y CB -1.006 37.520 38.460 0.111 0.000 0.955 145 Y HN 0.719 nan 8.280 nan 0.000 0.495 146 F N 1.359 121.225 119.950 -0.139 0.000 2.407 146 F HA 0.028 4.554 4.527 -0.002 0.000 0.299 146 F C 2.390 178.186 175.800 -0.005 0.000 1.097 146 F CA 0.317 58.322 58.000 0.008 0.000 1.422 146 F CB -0.210 38.752 39.000 -0.064 0.000 1.067 146 F HN 0.300 nan 8.300 nan 0.000 0.539 147 G N 0.512 109.339 108.800 0.044 0.000 2.464 147 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.214 147 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.214 147 G C 1.392 176.324 174.900 0.053 0.000 1.218 147 G CA 0.744 45.847 45.100 0.006 0.000 0.794 147 G HN 0.417 nan 8.290 nan 0.000 0.542 148 F N 1.654 121.608 119.950 0.007 0.000 2.027 148 F HA -0.197 4.329 4.527 -0.002 0.000 0.297 148 F C 2.759 178.554 175.800 -0.008 0.000 1.129 148 F CA 2.569 60.536 58.000 -0.055 0.000 1.195 148 F CB -0.053 38.956 39.000 0.015 0.000 0.960 148 F HN 0.020 nan 8.300 nan 0.000 0.485 149 K N 0.098 120.765 120.400 0.445 0.000 2.097 149 K HA -0.269 4.050 4.320 -0.002 0.000 0.214 149 K C 1.895 178.581 176.600 0.142 0.000 1.052 149 K CA 2.491 58.980 56.287 0.335 0.000 0.932 149 K CB -0.996 31.734 32.500 0.384 0.000 0.716 149 K HN 0.406 nan 8.250 nan 0.000 0.455 150 T N 2.199 116.780 114.554 0.045 0.000 2.622 150 T HA -0.166 4.183 4.350 -0.002 0.000 0.266 150 T C 2.071 176.822 174.700 0.085 0.000 1.047 150 T CA 1.754 63.863 62.100 0.016 0.000 1.159 150 T CB -0.277 68.527 68.868 -0.106 0.000 0.863 150 T HN 0.187 nan 8.240 nan 0.000 0.422 151 L N 0.696 121.849 121.223 -0.117 0.000 1.971 151 L HA -0.167 4.172 4.340 -0.002 0.000 0.215 151 L C 2.914 179.706 176.870 -0.129 0.000 1.072 151 L CA 1.739 56.474 54.840 -0.174 0.000 0.758 151 L CB -0.571 41.161 42.059 -0.545 0.000 0.889 151 L HN 0.346 nan 8.230 nan 0.000 0.433 152 E N 0.170 120.199 120.200 -0.285 0.000 2.049 152 E HA -0.316 4.033 4.350 -0.002 0.000 0.198 152 E C 2.355 178.963 176.600 0.014 0.000 1.007 152 E CA 1.731 58.056 56.400 -0.125 0.000 0.809 152 E CB 0.020 29.754 29.700 0.057 0.000 0.749 152 E HN 0.164 nan 8.360 nan 0.000 0.450 153 R N -0.031 120.507 120.500 0.063 0.000 2.083 153 R HA -0.071 4.267 4.340 -0.002 0.000 0.237 153 R C 2.126 178.460 176.300 0.056 0.000 1.137 153 R CA 2.290 58.434 56.100 0.074 0.000 0.951 153 R CB -0.078 30.280 30.300 0.097 0.000 0.851 153 R HN 0.184 nan 8.270 nan 0.000 0.434 154 S N -2.762 112.997 115.700 0.099 0.000 2.628 154 S HA 0.187 4.655 4.470 -0.002 0.000 0.246 154 S C 0.966 175.624 174.600 0.097 0.000 1.062 154 S CA -0.398 57.838 58.200 0.059 0.000 1.028 154 S CB 0.159 63.374 63.200 0.024 0.000 0.985 154 S HN 0.197 nan 8.310 nan 0.000 0.551 155 Y N 1.151 121.510 120.300 0.098 0.000 2.559 155 Y HA 0.471 5.020 4.550 -0.002 0.000 0.279 155 Y C 0.335 176.238 175.900 0.004 0.000 1.117 155 Y CA -0.638 57.493 58.100 0.051 0.000 1.263 155 Y CB -0.044 38.288 38.460 -0.214 0.000 1.230 155 Y HN 0.111 nan 8.280 nan 0.000 0.528 156 L N 2.152 123.416 121.223 0.068 0.000 2.477 156 L HA -0.003 4.336 4.340 -0.002 0.000 0.272 156 L C -0.043 176.826 176.870 -0.002 0.000 1.157 156 L CA -0.117 54.719 54.840 -0.006 0.000 0.889 156 L CB -0.381 41.630 42.059 -0.081 0.000 1.158 156 L HN 0.114 nan 8.230 nan 0.000 0.473 157 L N 5.334 126.552 121.223 -0.009 0.000 2.534 157 L HA 0.070 4.409 4.340 -0.002 0.000 0.271 157 L C 0.996 177.816 176.870 -0.082 0.000 1.178 157 L CA 0.008 54.818 54.840 -0.050 0.000 0.907 157 L CB -0.293 41.727 42.059 -0.065 0.000 1.164 157 L HN 0.587 nan 8.230 nan 0.000 0.482 158 R N 2.324 122.764 120.500 -0.099 0.000 2.560 158 R HA 0.209 4.548 4.340 -0.002 0.000 0.270 158 R C 0.542 176.744 176.300 -0.163 0.000 1.074 158 R CA -0.715 55.328 56.100 -0.096 0.000 1.140 158 R CB 1.245 31.502 30.300 -0.072 0.000 1.073 158 R HN 0.477 nan 8.270 nan 0.000 0.527 159 I N 0.919 121.427 120.570 -0.103 0.000 3.691 159 I HA -0.037 4.132 4.170 -0.002 0.000 0.226 159 I C 0.145 176.257 176.117 -0.009 0.000 1.020 159 I CA 0.781 62.025 61.300 -0.093 0.000 1.479 159 I CB -0.025 38.008 38.000 0.054 0.000 1.350 159 I HN 0.568 nan 8.210 nan 0.000 0.438 160 N N -0.225 118.560 118.700 0.141 0.000 2.626 160 N HA 0.376 5.114 4.740 -0.002 0.000 0.242 160 N C 0.406 175.955 175.510 0.065 0.000 1.005 160 N CA 0.515 53.659 53.050 0.157 0.000 0.905 160 N CB 0.578 39.175 38.487 0.183 0.000 1.128 160 N HN 0.647 nan 8.380 nan 0.000 0.512 161 G N 1.292 110.108 108.800 0.027 0.000 2.300 161 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.267 161 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.267 161 G C 0.170 175.078 174.900 0.013 0.000 0.980 161 G CA 0.462 45.570 45.100 0.013 0.000 0.635 161 G HN 0.545 nan 8.290 nan 0.000 0.552 162 Q N 0.083 119.893 119.800 0.017 0.000 2.312 162 Q HA 0.545 4.884 4.340 -0.002 0.000 0.263 162 Q C -0.011 175.992 176.000 0.006 0.000 0.995 162 Q CA -0.643 55.172 55.803 0.020 0.000 0.853 162 Q CB 2.051 30.808 28.738 0.030 0.000 1.300 162 Q HN 0.139 nan 8.270 nan 0.000 0.448 163 V N 3.157 123.078 119.914 0.012 0.000 2.425 163 V HA 0.024 4.143 4.120 -0.002 0.000 0.276 163 V C 0.770 176.854 176.094 -0.018 0.000 1.017 163 V CA 0.737 63.035 62.300 -0.003 0.000 1.062 163 V CB 0.593 32.426 31.823 0.018 0.000 0.997 163 V HN 0.811 nan 8.190 nan 0.000 0.476 164 A N 5.406 128.197 122.820 -0.048 0.000 2.577 164 A HA 0.433 4.751 4.320 -0.002 0.000 0.280 164 A C 0.502 178.014 177.584 -0.120 0.000 1.331 164 A CA -0.127 51.864 52.037 -0.076 0.000 0.935 164 A CB -0.095 18.855 19.000 -0.084 0.000 1.082 164 A HN 0.805 nan 8.150 nan 0.000 0.525 165 E N 0.092 120.243 120.200 -0.083 0.000 2.307 165 E HA 0.237 4.586 4.350 -0.002 0.000 0.280 165 E C -0.983 175.634 176.600 0.028 0.000 0.900 165 E CA -0.591 55.778 56.400 -0.052 0.000 0.790 165 E CB 1.646 31.338 29.700 -0.012 0.000 1.261 165 E HN 0.469 nan 8.360 nan 0.000 0.405 166 R N 3.380 124.020 120.500 0.234 0.000 2.490 166 R HA 0.151 4.490 4.340 -0.002 0.000 0.280 166 R C -1.717 174.628 176.300 0.074 0.000 1.077 166 R CA -1.556 54.637 56.100 0.154 0.000 1.065 166 R CB 0.269 30.750 30.300 0.301 0.000 1.003 166 R HN 0.240 nan 8.270 nan 0.000 0.470 167 P HA -0.302 nan 4.420 nan 0.000 0.219 167 P C 0.899 178.143 177.300 -0.093 0.000 1.158 167 P CA 1.439 64.406 63.100 -0.222 0.000 0.895 167 P CB 0.197 31.648 31.700 -0.415 0.000 0.792 168 Q N -1.610 118.148 119.800 -0.070 0.000 2.135 168 Q HA -0.214 4.125 4.340 -0.002 0.000 0.204 168 Q C 2.154 178.139 176.000 -0.025 0.000 0.981 168 Q CA 1.760 57.513 55.803 -0.084 0.000 0.856 168 Q CB -1.253 27.318 28.738 -0.278 0.000 0.902 168 Q HN 0.560 nan 8.270 nan 0.000 0.425 169 H N 0.402 119.551 119.070 0.131 0.000 2.321 169 H HA -0.114 4.441 4.556 -0.002 0.000 0.300 169 H C 1.958 177.434 175.328 0.246 0.000 1.087 169 H CA 1.235 57.471 56.048 0.315 0.000 1.319 169 H CB -0.158 29.762 29.762 0.263 0.000 1.379 169 H HN 0.088 nan 8.280 nan 0.000 0.501 170 L N 1.379 122.733 121.223 0.219 0.000 1.956 170 L HA -0.199 4.140 4.340 -0.002 0.000 0.216 170 L C 2.002 178.932 176.870 0.099 0.000 1.073 170 L CA 1.735 56.644 54.840 0.115 0.000 0.762 170 L CB -1.255 40.807 42.059 0.005 0.000 0.889 170 L HN 0.392 nan 8.230 nan 0.000 0.433 171 I N -0.407 120.191 120.570 0.047 0.000 2.145 171 I HA -0.391 3.778 4.170 -0.002 0.000 0.244 171 I C 2.607 178.791 176.117 0.111 0.000 1.075 171 I CA 2.050 63.366 61.300 0.026 0.000 1.332 171 I CB -0.523 37.458 38.000 -0.031 0.000 1.033 171 I HN 0.391 nan 8.210 nan 0.000 0.410 172 M N 0.653 120.338 119.600 0.141 0.000 2.229 172 M HA -0.160 4.319 4.480 -0.002 0.000 0.264 172 M C 2.266 178.656 176.300 0.150 0.000 1.063 172 M CA 1.637 56.937 55.300 -0.000 0.000 1.114 172 M CB -0.685 31.580 32.600 -0.558 0.000 1.387 172 M HN 0.055 nan 8.290 nan 0.000 0.420 173 R N -0.969 119.706 120.500 0.293 0.000 2.119 173 R HA -0.027 4.312 4.340 -0.002 0.000 0.222 173 R C 1.685 178.071 176.300 0.144 0.000 1.088 173 R CA 1.124 57.387 56.100 0.272 0.000 0.984 173 R CB -0.178 30.267 30.300 0.242 0.000 0.884 173 R HN 0.300 nan 8.270 nan 0.000 0.447 174 V N 1.479 121.449 119.914 0.093 0.000 2.244 174 V HA -0.210 3.909 4.120 -0.002 0.000 0.244 174 V C 2.572 178.677 176.094 0.018 0.000 1.042 174 V CA 1.948 64.261 62.300 0.022 0.000 1.006 174 V CB -0.825 30.977 31.823 -0.033 0.000 0.641 174 V HN 0.543 nan 8.190 nan 0.000 0.446 175 A N -0.251 122.605 122.820 0.060 0.000 1.884 175 A HA -0.256 4.063 4.320 -0.002 0.000 0.219 175 A C 2.242 179.939 177.584 0.189 0.000 1.197 175 A CA 2.316 54.433 52.037 0.132 0.000 0.637 175 A CB -0.727 18.365 19.000 0.152 0.000 0.827 175 A HN 0.489 nan 8.150 nan 0.000 0.450 176 L N -1.074 120.231 121.223 0.136 0.000 2.056 176 L HA -0.127 4.212 4.340 -0.002 0.000 0.207 176 L C 2.887 179.822 176.870 0.108 0.000 1.078 176 L CA 1.090 56.012 54.840 0.137 0.000 0.749 176 L CB -1.187 40.956 42.059 0.141 0.000 0.901 176 L HN 0.554 nan 8.230 nan 0.000 0.433 177 G N 1.152 110.000 108.800 0.081 0.000 2.624 177 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.221 177 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.221 177 G C 1.437 176.338 174.900 0.001 0.000 1.169 177 G CA 1.275 46.402 45.100 0.044 0.000 0.771 177 G HN 0.260 nan 8.290 nan 0.000 0.598 178 I N 0.545 121.074 120.570 -0.068 0.000 2.163 178 I HA 0.007 4.176 4.170 -0.002 0.000 0.240 178 I C 0.660 176.576 176.117 -0.336 0.000 1.081 178 I CA 0.808 61.956 61.300 -0.253 0.000 1.353 178 I CB -1.391 36.325 38.000 -0.472 0.000 1.054 178 I HN 0.188 nan 8.210 nan 0.000 0.407 179 H N 0.189 119.278 119.070 0.033 0.000 2.473 179 H HA 0.501 5.056 4.556 -0.002 0.000 0.327 179 H C 0.995 176.342 175.328 0.031 0.000 1.105 179 H CA -0.015 56.052 56.048 0.032 0.000 1.280 179 H CB 1.206 30.985 29.762 0.028 0.000 1.450 179 H HN 0.056 nan 8.280 nan 0.000 0.492 180 G N 1.488 110.367 108.800 0.131 0.000 2.561 180 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.208 180 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.208 180 G C 1.220 176.165 174.900 0.074 0.000 1.510 180 G CA -0.254 44.898 45.100 0.087 0.000 0.941 180 G HN 0.401 nan 8.290 nan 0.000 0.478 181 R N 1.262 121.795 120.500 0.055 0.000 2.339 181 R HA 0.050 4.389 4.340 -0.002 0.000 0.199 181 R C 0.603 176.922 176.300 0.030 0.000 1.018 181 R CA -0.062 56.058 56.100 0.034 0.000 1.036 181 R CB -0.417 29.898 30.300 0.024 0.000 0.899 181 R HN 0.369 nan 8.270 nan 0.000 0.473 182 D N 1.123 121.557 120.400 0.057 0.000 2.934 182 D HA -0.011 4.628 4.640 -0.002 0.000 0.237 182 D C 0.948 177.231 176.300 -0.028 0.000 1.158 182 D CA -0.121 53.896 54.000 0.029 0.000 0.971 182 D CB 0.115 40.962 40.800 0.078 0.000 1.123 182 D HN -0.060 nan 8.370 nan 0.000 0.467 183 I N 1.641 122.196 120.570 -0.025 0.000 2.264 183 I HA -0.310 3.859 4.170 -0.002 0.000 0.248 183 I C 2.371 178.438 176.117 -0.083 0.000 1.111 183 I CA 1.292 62.563 61.300 -0.048 0.000 1.382 183 I CB -0.351 37.624 38.000 -0.040 0.000 1.060 183 I HN 0.381 nan 8.210 nan 0.000 0.418 184 E N 0.842 120.996 120.200 -0.077 0.000 2.023 184 E HA -0.236 4.113 4.350 -0.002 0.000 0.196 184 E C 2.251 178.774 176.600 -0.129 0.000 1.003 184 E CA 1.546 57.899 56.400 -0.079 0.000 0.809 184 E CB -0.881 28.785 29.700 -0.056 0.000 0.755 184 E HN 0.348 nan 8.360 nan 0.000 0.449 185 A N 1.827 124.530 122.820 -0.195 0.000 1.873 185 A HA -0.177 4.141 4.320 -0.002 0.000 0.218 185 A C 2.625 179.863 177.584 -0.577 0.000 1.193 185 A CA 2.641 54.441 52.037 -0.395 0.000 0.629 185 A CB -1.337 17.374 19.000 -0.481 0.000 0.826 185 A HN 0.463 nan 8.150 nan 0.000 0.447 186 A N -0.605 121.938 122.820 -0.461 0.000 1.903 186 A HA -0.179 4.140 4.320 -0.002 0.000 0.219 186 A C 2.199 179.746 177.584 -0.062 0.000 1.191 186 A CA 1.904 53.832 52.037 -0.180 0.000 0.638 186 A CB -0.727 18.255 19.000 -0.030 0.000 0.823 186 A HN 0.497 nan 8.150 nan 0.000 0.451 187 L N -0.652 120.527 121.223 -0.074 0.000 2.141 187 L HA -0.172 4.166 4.340 -0.002 0.000 0.209 187 L C 2.730 179.647 176.870 0.080 0.000 1.094 187 L CA 1.855 56.682 54.840 -0.021 0.000 0.763 187 L CB -0.258 41.762 42.059 -0.064 0.000 0.908 187 L HN 0.701 nan 8.230 nan 0.000 0.437 188 E N -0.418 119.797 120.200 0.026 0.000 2.102 188 E HA -0.166 4.183 4.350 -0.002 0.000 0.190 188 E C 1.996 178.649 176.600 0.088 0.000 0.971 188 E CA 1.529 57.960 56.400 0.053 0.000 0.821 188 E CB -0.112 29.602 29.700 0.022 0.000 0.777 188 E HN 0.465 nan 8.360 nan 0.000 0.460 189 T N -1.251 113.357 114.554 0.090 0.000 2.977 189 T HA -0.184 4.165 4.350 -0.002 0.000 0.271 189 T C 1.801 176.585 174.700 0.140 0.000 1.105 189 T CA 1.091 63.325 62.100 0.224 0.000 1.116 189 T CB -0.634 68.429 68.868 0.325 0.000 0.878 189 T HN 0.350 nan 8.240 nan 0.000 0.509 190 Y N 2.589 122.873 120.300 -0.026 0.000 2.109 190 Y HA -0.001 4.547 4.550 -0.002 0.000 0.285 190 Y C 2.374 178.202 175.900 -0.119 0.000 1.131 190 Y CA 1.508 59.549 58.100 -0.097 0.000 1.121 190 Y CB -0.614 37.759 38.460 -0.145 0.000 0.987 190 Y HN 0.087 nan 8.280 nan 0.000 0.495 191 N N 0.672 119.292 118.700 -0.132 0.000 2.084 191 N HA -0.182 4.556 4.740 -0.002 0.000 0.190 191 N C 1.940 177.275 175.510 -0.292 0.000 1.030 191 N CA 1.868 54.759 53.050 -0.266 0.000 0.849 191 N CB -0.515 37.985 38.487 0.021 0.000 1.012 191 N HN 0.415 nan 8.380 nan 0.000 0.423 192 L N 0.914 122.071 121.223 -0.111 0.000 2.013 192 L HA -0.201 4.138 4.340 -0.002 0.000 0.212 192 L C 2.595 179.260 176.870 -0.342 0.000 1.073 192 L CA 1.220 56.075 54.840 0.025 0.000 0.753 192 L CB -0.443 41.735 42.059 0.199 0.000 0.890 192 L HN 0.174 nan 8.230 nan 0.000 0.432 193 M N -0.316 118.907 119.600 -0.629 0.000 2.065 193 M HA -0.224 4.254 4.480 -0.002 0.000 0.259 193 M C 2.694 178.667 176.300 -0.546 0.000 1.071 193 M CA 2.393 57.258 55.300 -0.724 0.000 1.109 193 M CB -0.735 31.505 32.600 -0.600 0.000 1.313 193 M HN 0.441 nan 8.290 nan 0.000 0.408 194 S N 0.602 115.931 115.700 -0.618 0.000 2.387 194 S HA -0.143 4.326 4.470 -0.002 0.000 0.230 194 S C 1.201 175.529 174.600 -0.453 0.000 1.035 194 S CA 0.962 58.837 58.200 -0.542 0.000 1.014 194 S CB -0.749 61.974 63.200 -0.794 0.000 0.836 194 S HN 0.315 nan 8.310 nan 0.000 0.466 195 L N 2.829 123.764 121.223 -0.481 0.000 2.533 195 L HA 0.242 4.581 4.340 -0.002 0.000 0.239 195 L C 0.446 176.853 176.870 -0.772 0.000 1.376 195 L CA -0.095 54.397 54.840 -0.579 0.000 1.240 195 L CB -1.056 40.662 42.059 -0.567 0.000 1.487 195 L HN 0.159 nan 8.230 nan 0.000 0.419 196 K N 0.934 120.982 120.400 -0.587 0.000 4.443 196 K HA -0.271 4.048 4.320 -0.002 0.000 0.267 196 K C 0.641 176.998 176.600 -0.405 0.000 0.703 196 K CA 0.841 56.837 56.287 -0.485 0.000 0.526 196 K CB -0.789 31.437 32.500 -0.456 0.000 2.148 196 K HN 0.560 nan 8.250 nan 0.000 0.396 197 Y N -0.654 119.471 120.300 -0.291 0.000 2.436 197 Y HA -0.016 4.533 4.550 -0.002 0.000 0.288 197 Y C 0.982 176.926 175.900 0.074 0.000 1.112 197 Y CA -0.088 57.907 58.100 -0.174 0.000 1.220 197 Y CB 0.473 38.858 38.460 -0.125 0.000 1.073 197 Y HN 0.382 nan 8.280 nan 0.000 0.552 198 F N -2.410 117.614 119.950 0.123 0.000 2.807 198 F HA 0.599 5.125 4.527 -0.002 0.000 0.316 198 F C -1.051 174.783 175.800 0.057 0.000 1.162 198 F CA -1.041 57.008 58.000 0.081 0.000 0.910 198 F CB 1.600 40.655 39.000 0.091 0.000 1.314 198 F HN -0.349 nan 8.300 nan 0.000 0.454 199 T N -0.880 113.910 114.554 0.392 0.000 2.885 199 T HA 0.413 4.762 4.350 -0.002 0.000 0.322 199 T C -1.674 173.245 174.700 0.365 0.000 1.387 199 T CA -0.540 61.713 62.100 0.254 0.000 1.041 199 T CB 1.291 70.174 68.868 0.025 0.000 1.287 199 T HN 0.939 nan 8.240 nan 0.000 0.491 200 H N 0.623 119.757 119.070 0.108 0.000 2.437 200 H HA 0.652 5.207 4.556 -0.002 0.000 0.338 200 H C 0.852 176.181 175.328 0.001 0.000 1.495 200 H CA -0.785 55.302 56.048 0.066 0.000 1.453 200 H CB 0.950 30.752 29.762 0.065 0.000 1.707 200 H HN 0.882 nan 8.280 nan 0.000 0.655 201 A N 0.443 123.337 122.820 0.122 0.000 2.425 201 A HA 0.081 4.400 4.320 -0.002 0.000 0.249 201 A C 1.395 179.014 177.584 0.058 0.000 1.084 201 A CA -0.144 51.927 52.037 0.056 0.000 0.781 201 A CB 0.290 19.312 19.000 0.037 0.000 1.019 201 A HN 0.793 nan 8.150 nan 0.000 0.490 202 S N 3.011 118.735 115.700 0.039 0.000 2.426 202 S HA -0.214 4.255 4.470 -0.002 0.000 0.259 202 S C -0.520 174.114 174.600 0.057 0.000 1.096 202 S CA 2.516 60.710 58.200 -0.009 0.000 1.219 202 S CB -1.537 61.742 63.200 0.131 0.000 1.124 202 S HN 0.768 nan 8.310 nan 0.000 0.436 203 P HA -0.137 nan 4.420 nan 0.000 0.217 203 P C 1.576 178.987 177.300 0.185 0.000 1.158 203 P CA 1.794 65.053 63.100 0.265 0.000 0.887 203 P CB -0.379 31.419 31.700 0.163 0.000 0.792 204 T N -0.377 114.250 114.554 0.121 0.000 2.674 204 T HA -0.118 4.231 4.350 -0.002 0.000 0.265 204 T C 1.779 176.518 174.700 0.066 0.000 1.039 204 T CA 1.054 63.212 62.100 0.096 0.000 1.150 204 T CB -1.012 67.934 68.868 0.131 0.000 0.864 204 T HN 0.021 nan 8.240 nan 0.000 0.427 205 L N -0.134 121.105 121.223 0.027 0.000 1.951 205 L HA -0.170 4.168 4.340 -0.002 0.000 0.222 205 L C 2.390 179.291 176.870 0.052 0.000 1.078 205 L CA 1.942 56.772 54.840 -0.018 0.000 0.778 205 L CB -0.931 41.065 42.059 -0.104 0.000 0.893 205 L HN 0.254 nan 8.230 nan 0.000 0.436 206 F N 0.412 120.443 119.950 0.135 0.000 2.032 206 F HA -0.334 4.191 4.527 -0.002 0.000 0.297 206 F C 2.354 178.158 175.800 0.006 0.000 1.125 206 F CA 1.724 59.736 58.000 0.019 0.000 1.202 206 F CB -0.395 38.568 39.000 -0.062 0.000 0.958 206 F HN 0.305 nan 8.300 nan 0.000 0.491 207 N N -0.183 118.658 118.700 0.236 0.000 2.282 207 N HA 0.169 4.908 4.740 -0.002 0.000 0.185 207 N C 0.250 175.812 175.510 0.087 0.000 1.099 207 N CA 0.525 53.649 53.050 0.124 0.000 0.878 207 N CB -0.224 38.323 38.487 0.100 0.000 0.993 207 N HN 0.055 nan 8.380 nan 0.000 0.481 208 A N 0.522 123.394 122.820 0.086 0.000 2.545 208 A HA 0.443 4.762 4.320 -0.002 0.000 0.253 208 A C 1.468 179.090 177.584 0.064 0.000 1.074 208 A CA 0.893 52.965 52.037 0.058 0.000 0.760 208 A CB -0.548 18.470 19.000 0.029 0.000 1.005 208 A HN 0.474 nan 8.150 nan 0.000 0.506 209 G N 1.780 110.617 108.800 0.062 0.000 2.349 209 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.213 209 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.213 209 G C 0.844 175.785 174.900 0.070 0.000 1.044 209 G CA 0.713 45.858 45.100 0.075 0.000 0.633 209 G HN 2.053 nan 8.290 nan 0.000 0.506 210 T N -0.034 114.551 114.554 0.051 0.000 2.726 210 T HA 0.550 4.899 4.350 -0.002 0.000 0.294 210 T C -0.671 174.031 174.700 0.004 0.000 1.013 210 T CA -0.259 61.858 62.100 0.028 0.000 0.996 210 T CB 1.626 70.495 68.868 0.003 0.000 1.016 210 T HN 0.030 nan 8.240 nan 0.000 0.529 211 P HA 0.019 nan 4.420 nan 0.000 0.216 211 P C 0.129 177.331 177.300 -0.163 0.000 1.150 211 P CA 1.179 64.244 63.100 -0.060 0.000 0.837 211 P CB 0.013 31.669 31.700 -0.073 0.000 0.786 212 K N 0.461 120.719 120.400 -0.236 0.000 2.360 212 K HA 0.200 4.519 4.320 -0.002 0.000 0.235 212 K C -2.135 174.383 176.600 -0.137 0.000 1.077 212 K CA -1.643 54.359 56.287 -0.474 0.000 1.035 212 K CB 0.609 32.757 32.500 -0.586 0.000 1.623 212 K HN 0.108 nan 8.250 nan 0.000 0.462 213 P HA -0.073 nan 4.420 nan 0.000 0.238 213 P C -0.737 176.640 177.300 0.128 0.000 1.714 213 P CA -0.269 62.877 63.100 0.075 0.000 0.908 213 P CB -0.033 31.713 31.700 0.078 0.000 1.893 214 Q N 1.017 120.922 119.800 0.175 0.000 2.263 214 Q HA 0.124 4.463 4.340 -0.002 0.000 0.270 214 Q C 0.339 176.401 176.000 0.103 0.000 1.104 214 Q CA 0.752 56.650 55.803 0.158 0.000 0.909 214 Q CB 0.252 29.131 28.738 0.233 0.000 1.214 214 Q HN 0.220 nan 8.270 nan 0.000 0.400 215 M N 1.680 121.310 119.600 0.049 0.000 2.313 215 M HA 0.244 4.723 4.480 -0.002 0.000 0.273 215 M C -0.238 176.081 176.300 0.032 0.000 1.049 215 M CA -0.205 55.130 55.300 0.059 0.000 1.004 215 M CB 0.977 33.604 32.600 0.045 0.000 1.461 215 M HN 0.401 nan 8.290 nan 0.000 0.514 216 S N -0.252 115.442 115.700 -0.009 0.000 2.586 216 S HA 0.328 4.796 4.470 -0.002 0.000 0.274 216 S C 0.912 175.440 174.600 -0.120 0.000 1.281 216 S CA -0.469 57.665 58.200 -0.110 0.000 1.035 216 S CB 1.717 64.767 63.200 -0.250 0.000 0.962 216 S HN 0.186 nan 8.310 nan 0.000 0.512 217 S N 1.051 116.645 115.700 -0.176 0.000 2.315 217 S HA 0.069 4.538 4.470 -0.002 0.000 0.196 217 S C 0.736 175.207 174.600 -0.216 0.000 1.045 217 S CA 0.286 58.414 58.200 -0.120 0.000 1.055 217 S CB -0.054 63.102 63.200 -0.073 0.000 0.963 217 S HN 0.840 nan 8.310 nan 0.000 0.439 218 C N 0.519 119.628 119.300 -0.317 0.000 2.380 218 C HA 0.795 5.254 4.460 -0.002 0.000 0.393 218 C C -0.661 173.928 174.990 -0.668 0.000 1.284 218 C CA -0.882 57.983 59.018 -0.254 0.000 2.033 218 C CB -0.199 27.481 27.740 -0.100 0.000 2.165 218 C HN 0.503 nan 8.230 nan 0.000 0.540 219 F N 0.112 120.023 119.950 -0.065 0.000 2.569 219 F HA 0.573 5.099 4.527 -0.002 0.000 0.312 219 F C -0.380 175.367 175.800 -0.088 0.000 1.109 219 F CA -0.656 57.305 58.000 -0.066 0.000 0.919 219 F CB 0.911 39.870 39.000 -0.068 0.000 1.211 219 F HN 0.160 nan 8.300 nan 0.000 0.446 220 L N 4.501 125.758 121.223 0.057 0.000 2.301 220 L HA 0.566 4.905 4.340 -0.002 0.000 0.278 220 L C -0.833 176.029 176.870 -0.014 0.000 1.022 220 L CA -0.773 54.055 54.840 -0.020 0.000 0.854 220 L CB 1.099 43.103 42.059 -0.091 0.000 1.226 220 L HN 0.341 nan 8.230 nan 0.000 0.429 221 V N 2.220 122.113 119.914 -0.037 0.000 2.539 221 V HA 0.560 4.679 4.120 -0.002 0.000 0.292 221 V C 0.531 176.474 176.094 -0.251 0.000 1.045 221 V CA -0.607 61.644 62.300 -0.082 0.000 0.945 221 V CB 1.697 33.487 31.823 -0.054 0.000 0.993 221 V HN 0.792 nan 8.190 nan 0.000 0.464 222 A N 4.882 127.547 122.820 -0.257 0.000 2.249 222 A HA 0.613 4.932 4.320 -0.002 0.000 0.314 222 A C 0.090 177.433 177.584 -0.401 0.000 1.290 222 A CA -0.711 51.026 52.037 -0.501 0.000 0.893 222 A CB 0.409 19.328 19.000 -0.135 0.000 1.165 222 A HN 0.906 nan 8.150 nan 0.000 0.530 223 M N 3.686 122.958 119.600 -0.547 0.000 3.353 223 M HA 0.001 4.480 4.480 -0.002 0.000 0.233 223 M C 1.054 177.278 176.300 -0.128 0.000 1.712 223 M CA 0.345 55.470 55.300 -0.291 0.000 1.722 223 M CB -1.245 31.161 32.600 -0.323 0.000 1.419 223 M HN 0.726 nan 8.290 nan 0.000 0.508 224 K N 0.917 121.275 120.400 -0.070 0.000 2.163 224 K HA -0.208 4.111 4.320 -0.002 0.000 0.210 224 K C 0.632 177.244 176.600 0.019 0.000 1.048 224 K CA 1.832 58.112 56.287 -0.012 0.000 0.928 224 K CB -0.163 32.343 32.500 0.010 0.000 0.716 224 K HN 0.746 nan 8.250 nan 0.000 0.459 225 E N -1.195 119.020 120.200 0.026 0.000 2.447 225 E HA 0.062 4.411 4.350 -0.002 0.000 0.279 225 E C -1.704 174.927 176.600 0.050 0.000 1.053 225 E CA -0.501 55.926 56.400 0.044 0.000 0.840 225 E CB 1.643 31.374 29.700 0.051 0.000 1.409 225 E HN -0.010 nan 8.360 nan 0.000 0.461 226 D N 0.969 121.406 120.400 0.061 0.000 2.895 226 D HA 0.212 4.851 4.640 -0.002 0.000 0.258 226 D C -1.218 175.120 176.300 0.063 0.000 1.311 226 D CA -0.018 54.022 54.000 0.068 0.000 0.843 226 D CB 0.085 40.934 40.800 0.083 0.000 1.055 226 D HN 0.331 nan 8.370 nan 0.000 0.486 227 S N -1.176 114.563 115.700 0.066 0.000 2.634 227 S HA 0.375 4.844 4.470 -0.002 0.000 0.296 227 S C 0.964 175.621 174.600 0.095 0.000 1.104 227 S CA -0.770 57.468 58.200 0.064 0.000 0.920 227 S CB 1.228 64.460 63.200 0.052 0.000 1.111 227 S HN -0.103 nan 8.310 nan 0.000 0.493 228 I N 1.623 122.254 120.570 0.102 0.000 2.226 228 I HA -0.061 4.108 4.170 -0.002 0.000 0.245 228 I C 2.620 178.847 176.117 0.183 0.000 1.100 228 I CA 1.303 62.705 61.300 0.170 0.000 1.374 228 I CB -1.007 37.056 38.000 0.106 0.000 1.057 228 I HN 1.001 nan 8.210 nan 0.000 0.413 229 E N 0.031 120.291 120.200 0.100 0.000 2.130 229 E HA -0.218 4.131 4.350 -0.002 0.000 0.196 229 E C 2.251 178.921 176.600 0.117 0.000 0.998 229 E CA 1.333 57.786 56.400 0.089 0.000 0.806 229 E CB -0.321 29.409 29.700 0.051 0.000 0.738 229 E HN 0.560 nan 8.360 nan 0.000 0.459 230 G N 1.171 110.035 108.800 0.108 0.000 2.496 230 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.214 230 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.214 230 G C 1.568 176.539 174.900 0.119 0.000 1.234 230 G CA 0.676 45.832 45.100 0.093 0.000 0.807 230 G HN 0.212 nan 8.290 nan 0.000 0.543 231 I N -0.219 120.429 120.570 0.130 0.000 2.147 231 I HA -0.331 3.838 4.170 -0.002 0.000 0.245 231 I C 2.557 178.708 176.117 0.056 0.000 1.059 231 I CA 1.702 63.081 61.300 0.133 0.000 1.320 231 I CB -0.376 37.688 38.000 0.107 0.000 1.021 231 I HN 0.186 nan 8.210 nan 0.000 0.415 232 Y N 0.306 120.638 120.300 0.053 0.000 2.516 232 Y HA -0.152 4.397 4.550 -0.002 0.000 0.291 232 Y C 2.134 178.038 175.900 0.006 0.000 1.131 232 Y CA 0.950 59.044 58.100 -0.010 0.000 1.281 232 Y CB -0.264 38.178 38.460 -0.030 0.000 1.013 232 Y HN 0.182 nan 8.280 nan 0.000 0.554 233 D N -1.162 119.330 120.400 0.154 0.000 2.194 233 D HA -0.107 4.532 4.640 -0.002 0.000 0.204 233 D C 2.045 178.398 176.300 0.089 0.000 0.964 233 D CA 1.543 55.602 54.000 0.099 0.000 0.846 233 D CB -0.179 40.669 40.800 0.079 0.000 0.962 233 D HN 0.210 nan 8.370 nan 0.000 0.490 234 T N 0.698 115.324 114.554 0.120 0.000 2.777 234 T HA -0.125 4.224 4.350 -0.002 0.000 0.266 234 T C 1.894 176.731 174.700 0.227 0.000 1.040 234 T CA 0.455 62.656 62.100 0.169 0.000 1.141 234 T CB -0.334 68.650 68.868 0.192 0.000 0.868 234 T HN 0.042 nan 8.240 nan 0.000 0.444 235 L N 1.139 122.424 121.223 0.103 0.000 2.127 235 L HA 0.005 4.344 4.340 -0.002 0.000 0.211 235 L C 2.273 179.094 176.870 -0.081 0.000 1.089 235 L CA 1.682 56.375 54.840 -0.245 0.000 0.757 235 L CB -0.504 41.071 42.059 -0.806 0.000 0.899 235 L HN 0.073 nan 8.230 nan 0.000 0.434 236 K N -0.035 120.363 120.400 -0.004 0.000 1.987 236 K HA -0.242 4.077 4.320 -0.002 0.000 0.216 236 K C 2.030 178.645 176.600 0.026 0.000 1.051 236 K CA 2.224 58.523 56.287 0.021 0.000 0.942 236 K CB -0.281 32.241 32.500 0.037 0.000 0.722 236 K HN 0.407 nan 8.250 nan 0.000 0.444 237 E N -0.536 119.685 120.200 0.036 0.000 2.114 237 E HA -0.241 4.108 4.350 -0.002 0.000 0.199 237 E C 1.719 178.329 176.600 0.017 0.000 1.008 237 E CA 1.386 57.791 56.400 0.008 0.000 0.810 237 E CB -0.199 29.506 29.700 0.009 0.000 0.739 237 E HN 0.372 nan 8.360 nan 0.000 0.456 238 C N -0.245 119.128 119.300 0.122 0.000 2.511 238 C HA 0.148 4.606 4.460 -0.002 0.000 0.300 238 C C 1.545 176.629 174.990 0.158 0.000 1.436 238 C CA 0.366 59.516 59.018 0.219 0.000 1.628 238 C CB -1.658 26.444 27.740 0.604 0.000 1.599 238 C HN 0.439 nan 8.230 nan 0.000 0.599 239 A N -1.102 121.750 122.820 0.053 0.000 1.748 239 A HA 0.236 4.555 4.320 -0.002 0.000 0.171 239 A C 1.523 179.097 177.584 -0.017 0.000 1.736 239 A CA -0.081 51.975 52.037 0.031 0.000 1.179 239 A CB -0.702 18.323 19.000 0.042 0.000 0.961 239 A HN 0.174 nan 8.150 nan 0.000 0.653 240 L N 0.246 121.459 121.223 -0.017 0.000 2.198 240 L HA -0.293 4.046 4.340 -0.002 0.000 0.218 240 L C 2.170 178.983 176.870 -0.096 0.000 1.084 240 L CA 1.877 56.694 54.840 -0.038 0.000 0.779 240 L CB -0.324 41.718 42.059 -0.029 0.000 0.890 240 L HN 0.555 nan 8.230 nan 0.000 0.439 241 I N -1.772 118.707 120.570 -0.153 0.000 2.405 241 I HA -0.238 3.931 4.170 -0.002 0.000 0.236 241 I C 2.563 178.555 176.117 -0.209 0.000 1.071 241 I CA 1.042 62.164 61.300 -0.298 0.000 1.398 241 I CB -0.429 37.288 38.000 -0.472 0.000 1.162 241 I HN 0.158 nan 8.210 nan 0.000 0.432 242 S N 1.555 117.168 115.700 -0.146 0.000 2.453 242 S HA -0.339 4.130 4.470 -0.002 0.000 0.250 242 S C 1.948 176.511 174.600 -0.060 0.000 1.044 242 S CA 2.354 60.509 58.200 -0.075 0.000 1.010 242 S CB -0.587 62.614 63.200 0.002 0.000 0.793 242 S HN 0.511 nan 8.310 nan 0.000 0.493 243 K N -0.063 120.296 120.400 -0.068 0.000 2.296 243 K HA 0.063 4.382 4.320 -0.002 0.000 0.200 243 K C 1.034 177.600 176.600 -0.057 0.000 1.048 243 K CA 1.265 57.515 56.287 -0.062 0.000 0.966 243 K CB -0.093 32.377 32.500 -0.051 0.000 0.754 243 K HN 0.459 nan 8.250 nan 0.000 0.466 244 T N -0.358 114.165 114.554 -0.051 0.000 2.482 244 T HA 0.659 5.007 4.350 -0.002 0.000 0.211 244 T C 0.360 175.053 174.700 -0.012 0.000 0.922 244 T CA -0.301 61.787 62.100 -0.020 0.000 1.141 244 T CB -0.041 68.851 68.868 0.041 0.000 2.503 244 T HN 0.364 nan 8.240 nan 0.000 0.487 245 A N -0.228 122.620 122.820 0.048 0.000 5.953 245 A HA 0.276 4.595 4.320 -0.002 0.000 0.267 245 A C 0.656 178.351 177.584 0.184 0.000 2.116 245 A CA 0.958 53.081 52.037 0.143 0.000 0.711 245 A CB -1.755 17.192 19.000 -0.088 0.000 1.100 245 A HN 1.884 nan 8.150 nan 0.000 0.364 246 G N -2.379 106.607 108.800 0.310 0.000 3.107 246 G HA2 0.734 4.693 3.960 -0.002 0.000 0.233 246 G HA3 0.734 4.693 3.960 -0.002 0.000 0.233 246 G C 0.599 175.600 174.900 0.169 0.000 1.168 246 G CA 0.427 45.648 45.100 0.201 0.000 0.801 246 G HN 2.308 nan 8.290 nan 0.000 0.605 247 G N -0.850 108.025 108.800 0.124 0.000 2.559 247 G HA2 0.435 4.394 3.960 -0.002 0.000 0.235 247 G HA3 0.435 4.394 3.960 -0.002 0.000 0.235 247 G C -0.655 174.283 174.900 0.064 0.000 1.266 247 G CA 0.160 45.305 45.100 0.076 0.000 0.847 247 G HN 0.521 nan 8.290 nan 0.000 0.583 248 I N 0.103 120.615 120.570 -0.097 0.000 2.647 248 I HA 0.597 4.766 4.170 -0.002 0.000 0.295 248 I C 0.308 176.284 176.117 -0.235 0.000 1.078 248 I CA -0.728 60.429 61.300 -0.238 0.000 1.048 248 I CB 2.823 40.439 38.000 -0.639 0.000 1.239 248 I HN 0.650 nan 8.210 nan 0.000 0.421 249 G N 6.093 114.838 108.800 -0.092 0.000 2.753 249 G HA2 0.630 4.589 3.960 -0.002 0.000 0.282 249 G HA3 0.630 4.589 3.960 -0.002 0.000 0.282 249 G C -1.419 173.529 174.900 0.080 0.000 1.512 249 G CA -0.416 44.739 45.100 0.092 0.000 1.076 249 G HN 0.628 nan 8.290 nan 0.000 0.545 250 L N 2.529 123.852 121.223 0.166 0.000 2.362 250 L HA 0.824 5.163 4.340 -0.002 0.000 0.271 250 L C -0.529 176.317 176.870 -0.039 0.000 1.002 250 L CA -1.110 53.734 54.840 0.007 0.000 0.818 250 L CB 2.247 44.313 42.059 0.011 0.000 1.298 250 L HN 0.665 nan 8.230 nan 0.000 0.420 251 H N 3.732 122.678 119.070 -0.206 0.000 2.529 251 H HA 0.546 5.101 4.556 -0.002 0.000 0.348 251 H C -0.360 174.656 175.328 -0.519 0.000 1.152 251 H CA -0.879 54.928 56.048 -0.402 0.000 1.202 251 H CB 2.351 31.776 29.762 -0.562 0.000 1.562 251 H HN 0.919 nan 8.280 nan 0.000 0.515 252 I N -0.649 119.585 120.570 -0.561 0.000 3.578 252 I HA 0.140 4.309 4.170 -0.002 0.000 0.321 252 I C 0.135 176.071 176.117 -0.301 0.000 1.510 252 I CA -0.706 60.353 61.300 -0.403 0.000 1.002 252 I CB 0.045 37.832 38.000 -0.355 0.000 1.427 252 I HN 0.411 nan 8.210 nan 0.000 0.575 253 H N 2.330 121.399 119.070 -0.003 0.000 2.518 253 H HA -0.050 4.505 4.556 -0.002 0.000 0.292 253 H C 1.285 176.755 175.328 0.237 0.000 1.068 253 H CA 1.514 57.580 56.048 0.029 0.000 1.275 253 H CB -0.408 29.397 29.762 0.071 0.000 1.375 253 H HN 0.673 nan 8.280 nan 0.000 0.563 254 N N 0.995 119.833 118.700 0.230 0.000 2.336 254 N HA -0.007 4.732 4.740 -0.002 0.000 0.189 254 N C 0.529 176.159 175.510 0.201 0.000 1.113 254 N CA 0.018 53.214 53.050 0.243 0.000 0.858 254 N CB 0.287 38.880 38.487 0.177 0.000 0.970 254 N HN 0.235 nan 8.380 nan 0.000 0.471 255 I N 2.584 123.258 120.570 0.173 0.000 2.395 255 I HA 0.112 4.281 4.170 -0.002 0.000 0.289 255 I C 0.720 177.018 176.117 0.302 0.000 1.023 255 I CA -0.733 60.664 61.300 0.161 0.000 1.350 255 I CB 0.900 38.934 38.000 0.056 0.000 1.409 255 I HN -0.044 nan 8.210 nan 0.000 0.507 256 R N 4.031 124.659 120.500 0.213 0.000 2.863 256 R HA 0.195 4.533 4.340 -0.002 0.000 0.273 256 R C 0.312 176.749 176.300 0.228 0.000 1.057 256 R CA -0.484 55.732 56.100 0.194 0.000 1.191 256 R CB 0.047 30.423 30.300 0.126 0.000 1.104 256 R HN 0.700 nan 8.270 nan 0.000 0.519 257 S N -0.223 115.559 115.700 0.137 0.000 2.693 257 S HA 0.148 4.617 4.470 -0.002 0.000 0.276 257 S C -0.068 174.615 174.600 0.138 0.000 1.192 257 S CA -0.900 57.399 58.200 0.166 0.000 0.994 257 S CB 1.429 64.649 63.200 0.034 0.000 1.012 257 S HN 0.500 nan 8.310 nan 0.000 0.550 258 T N 1.861 116.502 114.554 0.145 0.000 2.822 258 T HA 0.420 4.769 4.350 -0.002 0.000 0.288 258 T C 1.392 176.146 174.700 0.090 0.000 0.991 258 T CA 1.148 63.315 62.100 0.112 0.000 1.176 258 T CB -0.509 68.426 68.868 0.111 0.000 0.951 258 T HN 1.708 nan 8.240 nan 0.000 0.526 259 G N 3.015 111.864 108.800 0.082 0.000 2.148 259 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.254 259 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.254 259 G C 0.505 175.459 174.900 0.090 0.000 0.981 259 G CA 0.295 45.441 45.100 0.076 0.000 0.670 259 G HN 0.820 nan 8.290 nan 0.000 0.528 260 S N -1.200 114.560 115.700 0.099 0.000 2.633 260 S HA 0.580 5.049 4.470 -0.002 0.000 0.257 260 S C -0.021 174.681 174.600 0.170 0.000 1.265 260 S CA -0.033 58.240 58.200 0.121 0.000 0.980 260 S CB 0.515 63.780 63.200 0.107 0.000 1.017 260 S HN 1.050 nan 8.310 nan 0.000 0.577 261 Y N 1.079 121.394 120.300 0.026 0.000 2.328 261 Y HA 0.588 5.137 4.550 -0.002 0.000 0.337 261 Y C -1.016 174.899 175.900 0.025 0.000 0.966 261 Y CA -0.976 57.136 58.100 0.021 0.000 1.136 261 Y CB 0.344 38.811 38.460 0.011 0.000 1.170 261 Y HN 0.403 nan 8.280 nan 0.000 0.470 262 I N 6.240 126.531 120.570 -0.466 0.000 2.396 262 I HA 0.267 4.436 4.170 -0.002 0.000 0.289 262 I C 0.937 176.471 176.117 -0.972 0.000 1.056 262 I CA 0.347 61.333 61.300 -0.522 0.000 1.365 262 I CB 1.490 39.351 38.000 -0.232 0.000 1.407 262 I HN 0.862 nan 8.210 nan 0.000 0.509 263 A N 5.284 127.666 122.820 -0.731 0.000 2.327 263 A HA 0.359 4.678 4.320 -0.002 0.000 0.228 263 A C 1.760 179.223 177.584 -0.201 0.000 1.275 263 A CA 0.709 52.452 52.037 -0.489 0.000 0.875 263 A CB -0.864 18.024 19.000 -0.186 0.000 0.925 263 A HN 0.860 nan 8.150 nan 0.000 0.493 264 G N -0.515 108.170 108.800 -0.191 0.000 2.497 264 G HA2 0.317 4.276 3.960 -0.002 0.000 0.210 264 G HA3 0.317 4.276 3.960 -0.002 0.000 0.210 264 G C 0.822 175.684 174.900 -0.062 0.000 1.177 264 G CA 1.373 46.417 45.100 -0.092 0.000 0.822 264 G HN 0.750 nan 8.290 nan 0.000 0.550 265 T N -2.981 111.529 114.554 -0.073 0.000 2.618 265 T HA 0.218 4.567 4.350 -0.002 0.000 0.293 265 T C 0.381 175.080 174.700 -0.002 0.000 1.093 265 T CA -0.374 61.712 62.100 -0.023 0.000 1.061 265 T CB 0.692 69.551 68.868 -0.015 0.000 1.498 265 T HN 0.013 nan 8.240 nan 0.000 0.494 266 N N 0.522 119.237 118.700 0.025 0.000 2.651 266 N HA 0.041 4.780 4.740 -0.002 0.000 0.193 266 N C 1.050 176.586 175.510 0.044 0.000 1.149 266 N CA 0.563 53.643 53.050 0.049 0.000 0.933 266 N CB -0.573 37.936 38.487 0.037 0.000 0.974 266 N HN 0.837 nan 8.380 nan 0.000 0.448 267 G N 0.768 109.577 108.800 0.015 0.000 2.527 267 G HA2 0.310 4.269 3.960 -0.002 0.000 0.248 267 G HA3 0.310 4.269 3.960 -0.002 0.000 0.248 267 G C 0.428 175.346 174.900 0.030 0.000 1.231 267 G CA -0.204 44.904 45.100 0.014 0.000 0.838 267 G HN 0.217 nan 8.290 nan 0.000 0.570 268 T N -1.428 113.156 114.554 0.050 0.000 2.889 268 T HA 0.620 4.969 4.350 -0.002 0.000 0.278 268 T C 0.557 175.285 174.700 0.048 0.000 0.995 268 T CA -0.618 61.523 62.100 0.069 0.000 0.966 268 T CB 1.426 70.348 68.868 0.090 0.000 1.237 268 T HN 0.527 nan 8.240 nan 0.000 0.591 269 S N -0.266 115.472 115.700 0.063 0.000 2.580 269 S HA 0.189 4.658 4.470 -0.002 0.000 0.274 269 S C 1.096 175.735 174.600 0.066 0.000 1.329 269 S CA -0.579 57.659 58.200 0.063 0.000 1.036 269 S CB 0.004 63.253 63.200 0.082 0.000 0.919 269 S HN 0.656 nan 8.310 nan 0.000 0.515 270 N N 2.115 120.852 118.700 0.062 0.000 2.244 270 N HA 0.187 4.926 4.740 -0.002 0.000 0.183 270 N C 0.961 176.516 175.510 0.075 0.000 1.016 270 N CA 1.211 54.297 53.050 0.061 0.000 0.866 270 N CB -0.318 38.202 38.487 0.055 0.000 0.980 270 N HN 0.904 nan 8.380 nan 0.000 0.430 271 G N -1.180 107.675 108.800 0.092 0.000 2.447 271 G HA2 -0.205 3.753 3.960 -0.002 0.000 0.220 271 G HA3 -0.205 3.753 3.960 -0.002 0.000 0.220 271 G C 0.299 175.262 174.900 0.105 0.000 1.261 271 G CA -0.148 45.023 45.100 0.119 0.000 1.000 271 G HN 0.099 nan 8.290 nan 0.000 0.515 272 L N 0.055 121.341 121.223 0.106 0.000 2.121 272 L HA 0.189 4.528 4.340 -0.002 0.000 0.200 272 L C 3.084 179.984 176.870 0.049 0.000 1.077 272 L CA 0.397 55.269 54.840 0.054 0.000 0.766 272 L CB -0.555 41.516 42.059 0.021 0.000 0.931 272 L HN 0.548 nan 8.230 nan 0.000 0.452 273 I N 0.688 121.296 120.570 0.064 0.000 2.143 273 I HA -0.237 3.932 4.170 -0.002 0.000 0.245 273 I C -0.076 176.052 176.117 0.018 0.000 1.068 273 I CA 2.231 63.554 61.300 0.038 0.000 1.326 273 I CB -2.400 35.629 38.000 0.048 0.000 1.028 273 I HN 0.198 nan 8.210 nan 0.000 0.412 274 P HA -0.147 nan 4.420 nan 0.000 0.216 274 P C 2.153 179.468 177.300 0.024 0.000 1.153 274 P CA 1.243 64.356 63.100 0.021 0.000 0.848 274 P CB -0.155 31.564 31.700 0.030 0.000 0.787 275 M N -0.774 118.851 119.600 0.043 0.000 2.106 275 M HA -0.180 4.299 4.480 -0.002 0.000 0.259 275 M C 1.939 178.304 176.300 0.109 0.000 1.068 275 M CA 1.989 57.330 55.300 0.069 0.000 1.100 275 M CB -0.814 31.828 32.600 0.070 0.000 1.351 275 M HN -0.125 nan 8.290 nan 0.000 0.404 276 I N -0.477 120.118 120.570 0.040 0.000 2.151 276 I HA -0.366 3.803 4.170 -0.002 0.000 0.243 276 I C 2.575 178.686 176.117 -0.011 0.000 1.080 276 I CA 1.381 62.680 61.300 -0.002 0.000 1.339 276 I CB -0.639 37.332 38.000 -0.049 0.000 1.039 276 I HN 0.374 nan 8.210 nan 0.000 0.409 277 R N 0.373 120.860 120.500 -0.021 0.000 2.200 277 R HA -0.134 4.205 4.340 -0.002 0.000 0.234 277 R C 2.192 178.459 176.300 -0.055 0.000 1.127 277 R CA 1.055 57.129 56.100 -0.043 0.000 0.989 277 R CB -0.100 30.180 30.300 -0.032 0.000 0.869 277 R HN 0.256 nan 8.270 nan 0.000 0.459 278 V N 0.066 119.952 119.914 -0.047 0.000 2.255 278 V HA -0.225 3.894 4.120 -0.002 0.000 0.243 278 V C 1.886 177.852 176.094 -0.214 0.000 1.038 278 V CA 1.750 63.972 62.300 -0.130 0.000 1.008 278 V CB -0.488 31.242 31.823 -0.155 0.000 0.645 278 V HN 0.183 nan 8.190 nan 0.000 0.449 279 F N 0.703 120.503 119.950 -0.250 0.000 2.134 279 F HA -0.160 4.366 4.527 -0.002 0.000 0.299 279 F C 2.212 177.800 175.800 -0.353 0.000 1.097 279 F CA 1.883 59.671 58.000 -0.353 0.000 1.264 279 F CB -0.555 38.128 39.000 -0.528 0.000 1.001 279 F HN 0.217 nan 8.300 nan 0.000 0.479 280 N N 0.170 118.793 118.700 -0.129 0.000 2.651 280 N HA -0.196 4.543 4.740 -0.002 0.000 0.193 280 N C 1.166 176.632 175.510 -0.073 0.000 1.149 280 N CA 0.781 53.758 53.050 -0.122 0.000 0.933 280 N CB -0.390 38.026 38.487 -0.117 0.000 0.974 280 N HN 0.286 nan 8.380 nan 0.000 0.448 281 N N -2.043 116.609 118.700 -0.080 0.000 2.529 281 N HA 0.011 4.750 4.740 -0.002 0.000 0.231 281 N C 0.913 176.411 175.510 -0.019 0.000 1.072 281 N CA 0.524 53.542 53.050 -0.053 0.000 0.854 281 N CB -0.045 38.396 38.487 -0.077 0.000 1.465 281 N HN 0.037 nan 8.380 nan 0.000 0.452 282 T N 1.131 115.647 114.554 -0.063 0.000 2.849 282 T HA -0.030 4.319 4.350 -0.002 0.000 0.270 282 T C 1.741 176.495 174.700 0.090 0.000 1.066 282 T CA 1.273 63.380 62.100 0.012 0.000 1.130 282 T CB -0.220 68.595 68.868 -0.089 0.000 0.864 282 T HN 0.408 nan 8.240 nan 0.000 0.481 283 A N 1.759 124.622 122.820 0.072 0.000 1.845 283 A HA -0.130 4.189 4.320 -0.002 0.000 0.215 283 A C 2.310 179.951 177.584 0.096 0.000 1.195 283 A CA 1.599 53.716 52.037 0.133 0.000 0.616 283 A CB -0.562 18.518 19.000 0.133 0.000 0.832 283 A HN 0.447 nan 8.150 nan 0.000 0.443 284 R N -1.929 118.613 120.500 0.070 0.000 2.122 284 R HA -0.225 4.113 4.340 -0.002 0.000 0.236 284 R C 2.251 178.603 176.300 0.087 0.000 1.129 284 R CA 2.141 58.280 56.100 0.064 0.000 0.925 284 R CB -0.869 29.462 30.300 0.052 0.000 0.850 284 R HN 0.683 nan 8.270 nan 0.000 0.431 285 Y N 1.707 122.000 120.300 -0.013 0.000 2.070 285 Y HA -0.145 4.404 4.550 -0.002 0.000 0.280 285 Y C 0.687 176.581 175.900 -0.010 0.000 1.148 285 Y CA 1.032 59.123 58.100 -0.015 0.000 1.125 285 Y CB -0.152 38.294 38.460 -0.024 0.000 0.975 285 Y HN -0.206 nan 8.280 nan 0.000 0.492 286 V N 4.316 124.196 119.914 -0.056 0.000 2.359 286 V HA 0.052 4.171 4.120 -0.002 0.000 0.248 286 V C 0.311 176.343 176.094 -0.104 0.000 1.091 286 V CA 1.210 63.418 62.300 -0.153 0.000 1.103 286 V CB -0.516 31.306 31.823 -0.002 0.000 1.176 286 V HN 0.722 nan 8.190 nan 0.000 0.488 287 D N 3.146 123.451 120.400 -0.159 0.000 1.863 287 D HA -0.065 4.574 4.640 -0.002 0.000 0.459 287 D C 0.989 177.222 176.300 -0.112 0.000 0.993 287 D CA -0.313 53.628 54.000 -0.098 0.000 0.982 287 D CB 0.177 40.941 40.800 -0.059 0.000 1.764 287 D HN 0.431 nan 8.370 nan 0.000 0.538 288 Q N 1.187 120.901 119.800 -0.144 0.000 2.815 288 Q HA 0.475 4.813 4.340 -0.002 0.000 0.235 288 Q C 0.514 176.440 176.000 -0.122 0.000 1.354 288 Q CA 1.087 56.815 55.803 -0.124 0.000 0.953 288 Q CB -0.263 28.401 28.738 -0.123 0.000 1.613 288 Q HN 0.497 nan 8.270 nan 0.000 0.572 289 G N 0.449 109.180 108.800 -0.115 0.000 4.373 289 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.195 289 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.195 289 G C 0.856 175.690 174.900 -0.110 0.000 1.377 289 G CA -0.135 44.900 45.100 -0.109 0.000 0.858 289 G HN 0.549 nan 8.290 nan 0.000 0.307 290 G N 0.844 109.585 108.800 -0.098 0.000 2.687 290 G HA2 0.092 4.051 3.960 -0.002 0.000 0.209 290 G HA3 0.092 4.051 3.960 -0.002 0.000 0.209 290 G C 0.735 175.567 174.900 -0.114 0.000 1.146 290 G CA 1.117 46.164 45.100 -0.088 0.000 0.787 290 G HN 0.899 nan 8.290 nan 0.000 0.532 291 N N -1.303 117.316 118.700 -0.134 0.000 2.701 291 N HA -0.197 4.542 4.740 -0.002 0.000 0.252 291 N C -0.204 175.222 175.510 -0.141 0.000 1.002 291 N CA 1.354 54.307 53.050 -0.161 0.000 0.758 291 N CB -0.441 37.903 38.487 -0.240 0.000 0.937 291 N HN 0.463 nan 8.380 nan 0.000 0.538 292 K N -1.354 118.992 120.400 -0.090 0.000 2.577 292 K HA 0.117 4.436 4.320 -0.002 0.000 0.267 292 K C 0.522 177.107 176.600 -0.025 0.000 0.979 292 K CA -0.707 55.549 56.287 -0.052 0.000 0.942 292 K CB 0.732 33.208 32.500 -0.039 0.000 1.343 292 K HN 0.185 nan 8.250 nan 0.000 0.436 293 R N 1.671 122.164 120.500 -0.012 0.000 2.081 293 R HA 0.039 4.378 4.340 -0.002 0.000 0.235 293 R C -1.289 175.029 176.300 0.030 0.000 1.131 293 R CA 0.297 56.400 56.100 0.004 0.000 0.960 293 R CB -1.386 28.917 30.300 0.006 0.000 0.856 293 R HN 0.265 nan 8.270 nan 0.000 0.436 294 P HA -0.056 nan 4.420 nan 0.000 0.249 294 P C -0.145 177.207 177.300 0.088 0.000 1.140 294 P CA 1.258 64.404 63.100 0.076 0.000 0.803 294 P CB 0.500 32.248 31.700 0.081 0.000 0.745 295 G N 3.292 112.159 108.800 0.110 0.000 3.820 295 G HA2 0.298 4.257 3.960 -0.002 0.000 0.293 295 G HA3 0.298 4.257 3.960 -0.002 0.000 0.293 295 G C 0.633 175.663 174.900 0.217 0.000 1.152 295 G CA -0.120 45.068 45.100 0.147 0.000 0.921 295 G HN 0.667 nan 8.290 nan 0.000 0.544 296 A N 0.614 123.575 122.820 0.234 0.000 2.858 296 A HA 0.174 4.493 4.320 -0.002 0.000 0.290 296 A C -0.278 177.497 177.584 0.318 0.000 1.683 296 A CA 0.121 52.367 52.037 0.348 0.000 1.180 296 A CB -0.819 18.369 19.000 0.314 0.000 0.954 296 A HN 0.337 nan 8.150 nan 0.000 0.592 297 F N 1.534 121.610 119.950 0.209 0.000 2.385 297 F HA 0.545 5.071 4.527 -0.002 0.000 0.336 297 F C 0.518 176.459 175.800 0.234 0.000 1.100 297 F CA 0.079 58.182 58.000 0.172 0.000 1.116 297 F CB 1.420 40.483 39.000 0.106 0.000 1.166 297 F HN 0.601 nan 8.300 nan 0.000 0.511 298 A N 5.480 128.573 122.820 0.455 0.000 2.401 298 A HA 0.796 5.115 4.320 -0.002 0.000 0.310 298 A C -1.836 175.972 177.584 0.375 0.000 1.075 298 A CA -0.656 51.617 52.037 0.393 0.000 0.746 298 A CB 1.243 20.464 19.000 0.367 0.000 1.277 298 A HN 0.707 nan 8.150 nan 0.000 0.425 299 L N 1.986 123.336 121.223 0.211 0.000 2.319 299 L HA 0.466 4.805 4.340 -0.002 0.000 0.281 299 L C -1.341 175.643 176.870 0.190 0.000 1.005 299 L CA -0.165 54.805 54.840 0.216 0.000 0.828 299 L CB 1.249 43.405 42.059 0.163 0.000 1.227 299 L HN 0.697 nan 8.230 nan 0.000 0.415 300 Y N 4.312 124.679 120.300 0.112 0.000 2.342 300 Y HA 0.685 5.233 4.550 -0.002 0.000 0.334 300 Y C -0.191 175.709 175.900 0.001 0.000 1.067 300 Y CA -0.478 57.685 58.100 0.105 0.000 1.128 300 Y CB 1.620 40.078 38.460 -0.004 0.000 1.200 300 Y HN 0.354 nan 8.280 nan 0.000 0.464 301 L N 3.185 124.469 121.223 0.101 0.000 2.526 301 L HA 0.359 4.698 4.340 -0.002 0.000 0.263 301 L C -1.018 175.751 176.870 -0.168 0.000 0.943 301 L CA -0.634 54.113 54.840 -0.156 0.000 0.859 301 L CB 2.069 43.428 42.059 -1.165 0.000 1.313 301 L HN 0.697 nan 8.230 nan 0.000 0.406 302 E N 5.000 125.023 120.200 -0.296 0.000 2.383 302 E HA 0.122 4.471 4.350 -0.002 0.000 0.264 302 E C -1.708 174.571 176.600 -0.535 0.000 1.050 302 E CA -1.359 54.744 56.400 -0.495 0.000 0.896 302 E CB 0.992 30.249 29.700 -0.738 0.000 0.982 302 E HN 0.378 nan 8.360 nan 0.000 0.424 303 P HA -0.086 nan 4.420 nan 0.000 0.245 303 P C 0.327 177.820 177.300 0.321 0.000 1.212 303 P CA 0.631 63.606 63.100 -0.208 0.000 0.774 303 P CB -0.079 31.247 31.700 -0.624 0.000 0.999 304 W N -1.522 120.111 121.300 0.556 0.000 3.290 304 W HA 0.167 4.826 4.660 -0.003 0.000 0.287 304 W C 0.163 176.893 176.519 0.353 0.000 1.288 304 W CA -0.535 57.091 57.345 0.468 0.000 1.725 304 W CB -1.294 28.451 29.460 0.476 0.000 1.103 304 W HN -0.022 nan 8.180 nan 0.000 0.670 305 H N 1.878 121.034 119.070 0.143 0.000 2.886 305 H HA 0.227 4.782 4.556 -0.002 0.000 0.329 305 H C 1.272 176.759 175.328 0.265 0.000 1.044 305 H CA 0.993 57.162 56.048 0.203 0.000 1.456 305 H CB 1.990 31.625 29.762 -0.212 0.000 1.464 305 H HN 0.101 nan 8.280 nan 0.000 0.573 306 A N 4.250 127.144 122.820 0.122 0.000 2.076 306 A HA -0.155 4.164 4.320 -0.002 0.000 0.220 306 A C 1.403 179.154 177.584 0.278 0.000 1.160 306 A CA 1.442 53.576 52.037 0.161 0.000 0.653 306 A CB 0.008 19.039 19.000 0.052 0.000 0.801 306 A HN 0.710 nan 8.150 nan 0.000 0.455 307 D N -0.296 120.383 120.400 0.465 0.000 2.352 307 D HA 0.072 4.711 4.640 -0.002 0.000 0.236 307 D C 1.215 177.713 176.300 0.329 0.000 1.148 307 D CA -0.201 54.051 54.000 0.420 0.000 0.844 307 D CB 0.140 41.196 40.800 0.426 0.000 0.933 307 D HN 0.251 nan 8.370 nan 0.000 0.507 308 I N -0.041 120.690 120.570 0.267 0.000 2.208 308 I HA -0.228 3.941 4.170 -0.002 0.000 0.245 308 I C 1.560 177.735 176.117 0.097 0.000 1.097 308 I CA 1.074 62.423 61.300 0.082 0.000 1.363 308 I CB -0.540 37.420 38.000 -0.067 0.000 1.051 308 I HN -0.055 nan 8.210 nan 0.000 0.413 309 F N 0.639 120.700 119.950 0.185 0.000 2.206 309 F HA -0.175 4.350 4.527 -0.003 0.000 0.298 309 F C 2.345 178.216 175.800 0.119 0.000 1.090 309 F CA 1.399 59.486 58.000 0.145 0.000 1.323 309 F CB -0.483 38.595 39.000 0.129 0.000 1.028 309 F HN 0.083 nan 8.300 nan 0.000 0.492 310 D N -0.632 119.965 120.400 0.328 0.000 2.224 310 D HA -0.161 4.477 4.640 -0.002 0.000 0.205 310 D C 1.973 178.360 176.300 0.144 0.000 0.965 310 D CA 0.753 54.874 54.000 0.202 0.000 0.852 310 D CB -0.328 40.578 40.800 0.177 0.000 0.947 310 D HN 0.225 nan 8.370 nan 0.000 0.494 311 F N 1.692 121.653 119.950 0.018 0.000 2.098 311 F HA -0.088 4.438 4.527 -0.002 0.000 0.294 311 F C 2.062 177.809 175.800 -0.089 0.000 1.107 311 F CA 1.125 59.090 58.000 -0.058 0.000 1.234 311 F CB -0.277 38.666 39.000 -0.096 0.000 1.002 311 F HN -0.099 nan 8.300 nan 0.000 0.472 312 I N -1.385 119.192 120.570 0.013 0.000 2.850 312 I HA -0.144 4.024 4.170 -0.002 0.000 0.266 312 I C 1.208 177.219 176.117 -0.177 0.000 1.257 312 I CA 1.343 62.556 61.300 -0.146 0.000 1.465 312 I CB -0.805 37.158 38.000 -0.062 0.000 1.091 312 I HN 0.121 nan 8.210 nan 0.000 0.467 313 D N 1.330 121.662 120.400 -0.113 0.000 2.271 313 D HA 0.089 4.728 4.640 -0.002 0.000 0.206 313 D C 2.110 178.331 176.300 -0.131 0.000 0.967 313 D CA 0.417 54.373 54.000 -0.073 0.000 0.867 313 D CB 0.101 40.909 40.800 0.013 0.000 0.960 313 D HN 0.289 nan 8.370 nan 0.000 0.509 314 I N 0.699 121.142 120.570 -0.213 0.000 2.504 314 I HA -0.446 3.723 4.170 -0.002 0.000 0.230 314 I C 1.933 177.940 176.117 -0.183 0.000 0.933 314 I CA 1.709 62.873 61.300 -0.226 0.000 1.236 314 I CB -0.215 37.569 38.000 -0.359 0.000 0.947 314 I HN 0.041 nan 8.210 nan 0.000 0.390 315 R N 0.413 120.792 120.500 -0.201 0.000 2.313 315 R HA 0.045 4.383 4.340 -0.002 0.000 0.199 315 R C 0.397 176.643 176.300 -0.090 0.000 0.958 315 R CA -0.004 55.998 56.100 -0.163 0.000 1.047 315 R CB -0.098 30.097 30.300 -0.176 0.000 0.955 315 R HN 0.282 nan 8.270 nan 0.000 0.481 316 K N 1.753 122.112 120.400 -0.068 0.000 2.530 316 K HA -0.106 4.213 4.320 -0.002 0.000 0.280 316 K C 0.713 177.328 176.600 0.026 0.000 1.004 316 K CA 0.191 56.470 56.287 -0.013 0.000 1.071 316 K CB 0.377 32.880 32.500 0.005 0.000 0.876 316 K HN -0.013 nan 8.250 nan 0.000 0.487 317 N N 2.026 120.768 118.700 0.070 0.000 2.588 317 N HA -0.127 4.612 4.740 -0.002 0.000 0.190 317 N C -0.430 175.188 175.510 0.180 0.000 1.094 317 N CA 1.053 54.173 53.050 0.117 0.000 0.921 317 N CB 0.007 38.591 38.487 0.162 0.000 0.959 317 N HN 0.394 nan 8.380 nan 0.000 0.448 318 H N -2.117 116.942 119.070 -0.019 0.000 2.637 318 H HA 0.632 5.187 4.556 -0.002 0.000 0.363 318 H C -0.037 175.280 175.328 -0.018 0.000 1.131 318 H CA -0.340 55.700 56.048 -0.014 0.000 1.183 318 H CB 2.041 31.800 29.762 -0.005 0.000 1.637 318 H HN -0.004 nan 8.280 nan 0.000 0.531 319 G N 2.288 111.103 108.800 0.025 0.000 2.681 319 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.210 319 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.210 319 G C -0.288 174.598 174.900 -0.023 0.000 3.399 319 G CA -0.774 44.332 45.100 0.011 0.000 0.649 319 G HN 0.313 nan 8.290 nan 0.000 0.428 320 K N 0.816 121.206 120.400 -0.016 0.000 2.591 320 K HA 0.221 4.540 4.320 -0.002 0.000 0.197 320 K C 0.991 177.580 176.600 -0.019 0.000 1.026 320 K CA 0.052 56.322 56.287 -0.028 0.000 1.127 320 K CB 0.300 32.789 32.500 -0.019 0.000 0.871 320 K HN 0.607 nan 8.250 nan 0.000 0.507 321 E N -0.205 119.985 120.200 -0.016 0.000 3.242 321 E HA 0.015 4.363 4.350 -0.002 0.000 0.122 321 E C -0.674 175.918 176.600 -0.014 0.000 0.893 321 E CA 0.199 56.591 56.400 -0.013 0.000 1.520 321 E CB 0.356 30.053 29.700 -0.006 0.000 1.004 321 E HN 0.056 nan 8.360 nan 0.000 0.373 322 E N -0.021 120.167 120.200 -0.021 0.000 2.639 322 E HA 0.424 4.773 4.350 -0.002 0.000 0.219 322 E C 0.486 177.062 176.600 -0.039 0.000 0.800 322 E CA -0.848 55.539 56.400 -0.023 0.000 1.002 322 E CB 0.824 30.514 29.700 -0.017 0.000 1.621 322 E HN 0.100 nan 8.360 nan 0.000 0.396 323 I N 2.825 123.364 120.570 -0.053 0.000 2.329 323 I HA 0.131 4.299 4.170 -0.002 0.000 0.295 323 I C 0.666 176.731 176.117 -0.087 0.000 1.109 323 I CA -0.008 61.245 61.300 -0.077 0.000 1.297 323 I CB -0.346 37.591 38.000 -0.105 0.000 1.433 323 I HN 0.058 nan 8.210 nan 0.000 0.509 324 R N 5.170 125.623 120.500 -0.078 0.000 4.792 324 R HA 0.185 4.523 4.340 -0.002 0.000 0.205 324 R C 0.799 177.037 176.300 -0.104 0.000 1.875 324 R CA -0.125 55.925 56.100 -0.083 0.000 1.588 324 R CB -0.027 30.235 30.300 -0.064 0.000 1.401 324 R HN 0.643 nan 8.270 nan 0.000 0.834 325 A N 1.747 124.482 122.820 -0.142 0.000 2.478 325 A HA 0.008 4.327 4.320 -0.002 0.000 0.239 325 A C 1.365 178.809 177.584 -0.233 0.000 1.480 325 A CA -0.113 51.813 52.037 -0.184 0.000 1.308 325 A CB -0.188 18.673 19.000 -0.231 0.000 0.899 325 A HN 0.222 nan 8.150 nan 0.000 0.600 326 R N 0.282 120.683 120.500 -0.165 0.000 2.388 326 R HA -0.130 4.209 4.340 -0.002 0.000 0.233 326 R C -0.192 175.990 176.300 -0.197 0.000 1.156 326 R CA 1.109 57.114 56.100 -0.158 0.000 1.036 326 R CB -0.108 30.148 30.300 -0.073 0.000 0.847 326 R HN 0.542 nan 8.270 nan 0.000 0.483 327 D N -0.818 119.457 120.400 -0.209 0.000 2.527 327 D HA 0.171 4.810 4.640 -0.002 0.000 0.224 327 D C -0.081 176.087 176.300 -0.221 0.000 1.217 327 D CA -0.060 53.832 54.000 -0.180 0.000 0.819 327 D CB 0.672 41.483 40.800 0.019 0.000 1.061 327 D HN 0.038 nan 8.370 nan 0.000 0.515 328 L N 0.210 121.220 121.223 -0.355 0.000 2.360 328 L HA 0.481 4.820 4.340 -0.002 0.000 0.271 328 L C -0.491 176.013 176.870 -0.609 0.000 1.057 328 L CA -0.579 54.093 54.840 -0.279 0.000 0.803 328 L CB 0.967 42.885 42.059 -0.235 0.000 1.207 328 L HN -0.262 nan 8.230 nan 0.000 0.445 329 F N 1.234 121.122 119.950 -0.103 0.000 2.565 329 F HA 0.513 5.039 4.527 -0.002 0.000 0.313 329 F C -2.405 173.173 175.800 -0.369 0.000 1.091 329 F CA -2.148 55.681 58.000 -0.285 0.000 0.915 329 F CB 1.902 40.727 39.000 -0.292 0.000 1.208 329 F HN 0.201 nan 8.300 nan 0.000 0.453 330 P HA 0.532 nan 4.420 nan 0.000 0.300 330 P C -1.525 175.565 177.300 -0.349 0.000 1.326 330 P CA -0.573 62.235 63.100 -0.488 0.000 0.844 330 P CB 1.752 32.845 31.700 -1.011 0.000 0.992 331 A N 4.391 127.102 122.820 -0.181 0.000 2.330 331 A HA 0.641 4.959 4.320 -0.002 0.000 0.313 331 A C -0.478 177.082 177.584 -0.040 0.000 1.124 331 A CA -0.842 51.026 52.037 -0.281 0.000 0.774 331 A CB 0.590 18.990 19.000 -1.000 0.000 1.198 331 A HN 0.473 nan 8.150 nan 0.000 0.465 332 L N 2.266 123.496 121.223 0.011 0.000 2.326 332 L HA 0.299 4.637 4.340 -0.002 0.000 0.278 332 L C -0.183 176.769 176.870 0.136 0.000 1.092 332 L CA -0.237 54.608 54.840 0.007 0.000 0.810 332 L CB 1.035 43.008 42.059 -0.143 0.000 1.153 332 L HN 0.804 nan 8.230 nan 0.000 0.439 333 W N 6.354 127.592 121.300 -0.104 0.000 2.363 333 W HA 0.483 5.142 4.660 -0.001 0.000 0.314 333 W C -1.346 175.058 176.519 -0.192 0.000 0.994 333 W CA -0.660 56.646 57.345 -0.064 0.000 1.449 333 W CB 0.980 30.430 29.460 -0.015 0.000 1.248 333 W HN 0.388 nan 8.180 nan 0.000 0.409 334 I N 8.744 129.083 120.570 -0.385 0.000 2.321 334 I HA 0.253 4.421 4.170 -0.002 0.000 0.291 334 I C -1.783 174.158 176.117 -0.294 0.000 0.998 334 I CA -2.103 59.000 61.300 -0.328 0.000 1.227 334 I CB 1.655 39.478 38.000 -0.294 0.000 1.368 334 I HN 0.111 nan 8.210 nan 0.000 0.466 335 P HA 0.176 nan 4.420 nan 0.000 0.278 335 P C -0.297 176.947 177.300 -0.092 0.000 1.266 335 P CA -0.279 62.655 63.100 -0.277 0.000 0.807 335 P CB 1.315 32.666 31.700 -0.580 0.000 1.094 336 D N 0.117 120.516 120.400 -0.001 0.000 2.183 336 D HA -0.085 4.554 4.640 -0.002 0.000 0.203 336 D C 1.846 178.182 176.300 0.060 0.000 0.969 336 D CA 0.633 54.725 54.000 0.153 0.000 0.842 336 D CB -0.257 40.770 40.800 0.379 0.000 0.957 336 D HN 0.226 nan 8.370 nan 0.000 0.484 337 L N 0.413 121.696 121.223 0.100 0.000 2.064 337 L HA -0.246 4.093 4.340 -0.002 0.000 0.216 337 L C 2.303 179.184 176.870 0.017 0.000 1.077 337 L CA 1.519 56.456 54.840 0.162 0.000 0.766 337 L CB -0.509 41.770 42.059 0.368 0.000 0.890 337 L HN 0.000 nan 8.230 nan 0.000 0.435 338 F N 0.293 120.023 119.950 -0.366 0.000 2.075 338 F HA -0.275 4.252 4.527 0.000 0.000 0.297 338 F C 2.552 178.061 175.800 -0.485 0.000 1.113 338 F CA 1.607 59.147 58.000 -0.767 0.000 1.218 338 F CB -0.218 38.201 39.000 -0.967 0.000 0.984 338 F HN 0.025 nan 8.300 nan 0.000 0.472 339 M N 0.268 119.568 119.600 -0.501 0.000 2.279 339 M HA -0.171 4.308 4.480 -0.002 0.000 0.264 339 M C 1.902 177.873 176.300 -0.549 0.000 1.062 339 M CA 1.421 56.229 55.300 -0.820 0.000 1.099 339 M CB -1.082 30.494 32.600 -1.707 0.000 1.394 339 M HN 0.201 nan 8.290 nan 0.000 0.426 340 K N -0.243 119.979 120.400 -0.296 0.000 1.967 340 K HA -0.089 4.230 4.320 -0.002 0.000 0.212 340 K C 2.116 178.645 176.600 -0.119 0.000 1.044 340 K CA 0.843 57.094 56.287 -0.058 0.000 0.942 340 K CB -0.193 32.355 32.500 0.080 0.000 0.726 340 K HN 0.073 nan 8.250 nan 0.000 0.440 341 R N 0.984 121.421 120.500 -0.105 0.000 2.162 341 R HA -0.195 4.144 4.340 -0.002 0.000 0.245 341 R C 2.357 178.530 176.300 -0.211 0.000 1.129 341 R CA 1.390 57.443 56.100 -0.078 0.000 0.940 341 R CB -1.589 28.727 30.300 0.027 0.000 0.875 341 R HN 0.114 nan 8.270 nan 0.000 0.437 342 V N 1.164 120.812 119.914 -0.444 0.000 2.250 342 V HA -0.295 3.824 4.120 -0.002 0.000 0.250 342 V C 2.532 178.379 176.094 -0.411 0.000 1.060 342 V CA 2.379 64.387 62.300 -0.486 0.000 1.030 342 V CB -0.516 30.875 31.823 -0.720 0.000 0.643 342 V HN 0.479 nan 8.190 nan 0.000 0.445 343 E N 0.516 120.468 120.200 -0.412 0.000 2.028 343 E HA -0.209 4.140 4.350 -0.002 0.000 0.190 343 E C 1.803 178.243 176.600 -0.266 0.000 0.984 343 E CA 1.025 57.139 56.400 -0.476 0.000 0.800 343 E CB -0.172 29.292 29.700 -0.392 0.000 0.758 343 E HN 0.839 nan 8.360 nan 0.000 0.448 344 E N 1.806 121.912 120.200 -0.158 0.000 2.651 344 E HA -0.113 4.236 4.350 -0.002 0.000 0.236 344 E C -0.493 176.059 176.600 -0.080 0.000 1.422 344 E CA -0.115 56.231 56.400 -0.090 0.000 1.534 344 E CB -1.253 28.425 29.700 -0.037 0.000 1.381 344 E HN 0.235 nan 8.360 nan 0.000 0.435 345 N N 0.674 119.304 118.700 -0.117 0.000 1.982 345 N HA -0.206 4.533 4.740 -0.002 0.000 0.354 345 N C -0.253 175.241 175.510 -0.026 0.000 1.170 345 N CA 0.633 53.634 53.050 -0.083 0.000 0.800 345 N CB -0.088 38.358 38.487 -0.069 0.000 1.027 345 N HN 0.526 nan 8.380 nan 0.000 0.549 346 G N 1.995 110.794 108.800 -0.001 0.000 3.107 346 G HA2 0.489 4.448 3.960 -0.002 0.000 0.233 346 G HA3 0.489 4.448 3.960 -0.002 0.000 0.233 346 G C -0.790 174.185 174.900 0.124 0.000 1.168 346 G CA 0.015 45.150 45.100 0.058 0.000 0.801 346 G HN 0.545 nan 8.290 nan 0.000 0.605 347 T N -2.149 112.512 114.554 0.179 0.000 2.918 347 T HA 0.589 4.938 4.350 -0.002 0.000 0.283 347 T C -0.936 174.042 174.700 0.463 0.000 1.001 347 T CA -0.555 61.700 62.100 0.258 0.000 1.041 347 T CB 2.111 71.099 68.868 0.199 0.000 1.028 347 T HN 0.645 nan 8.240 nan 0.000 0.511 348 W N 1.720 123.167 121.300 0.245 0.000 3.132 348 W HA 0.343 5.000 4.660 -0.004 0.000 0.337 348 W C -1.412 175.309 176.519 0.337 0.000 1.082 348 W CA -0.857 56.715 57.345 0.377 0.000 1.242 348 W CB 2.126 31.863 29.460 0.461 0.000 1.354 348 W HN 0.846 nan 8.180 nan 0.000 0.461 349 T N 5.615 120.032 114.554 -0.228 0.000 2.875 349 T HA 0.577 4.926 4.350 -0.002 0.000 0.284 349 T C 0.154 174.487 174.700 -0.612 0.000 0.995 349 T CA -0.507 61.336 62.100 -0.429 0.000 1.060 349 T CB 1.903 70.421 68.868 -0.583 0.000 0.967 349 T HN 0.301 nan 8.240 nan 0.000 0.476 350 L N 1.935 122.824 121.223 -0.557 0.000 2.334 350 L HA 0.769 5.108 4.340 -0.002 0.000 0.270 350 L C -1.035 175.408 176.870 -0.712 0.000 1.018 350 L CA -1.089 53.566 54.840 -0.308 0.000 0.811 350 L CB 1.051 43.128 42.059 0.030 0.000 1.271 350 L HN 0.577 nan 8.230 nan 0.000 0.443 351 F N -0.935 119.079 119.950 0.106 0.000 2.608 351 F HA 0.288 4.814 4.527 -0.002 0.000 0.309 351 F C 0.250 176.047 175.800 -0.006 0.000 1.103 351 F CA -0.753 57.242 58.000 -0.009 0.000 0.954 351 F CB 1.955 40.851 39.000 -0.174 0.000 1.267 351 F HN 0.324 nan 8.300 nan 0.000 0.444 352 S N 2.728 118.484 115.700 0.092 0.000 2.533 352 S HA 0.219 4.688 4.470 -0.002 0.000 0.282 352 S C -1.774 172.890 174.600 0.106 0.000 1.304 352 S CA -0.921 57.290 58.200 0.018 0.000 1.063 352 S CB 0.914 64.136 63.200 0.037 0.000 0.881 352 S HN 0.406 nan 8.310 nan 0.000 0.493 353 P HA -0.048 nan 4.420 nan 0.000 0.225 353 P C 1.445 178.788 177.300 0.072 0.000 1.148 353 P CA 1.096 64.314 63.100 0.197 0.000 0.779 353 P CB -0.158 31.750 31.700 0.347 0.000 0.780 354 T N -4.314 110.278 114.554 0.064 0.000 2.851 354 T HA -0.046 4.303 4.350 -0.002 0.000 0.262 354 T C 1.906 176.591 174.700 -0.026 0.000 1.043 354 T CA 1.323 63.447 62.100 0.040 0.000 1.140 354 T CB -1.194 67.716 68.868 0.069 0.000 0.872 354 T HN -0.025 nan 8.240 nan 0.000 0.446 355 S N 2.308 117.982 115.700 -0.044 0.000 2.402 355 S HA 0.292 4.761 4.470 -0.002 0.000 0.229 355 S C 1.544 175.940 174.600 -0.340 0.000 1.021 355 S CA 0.658 58.781 58.200 -0.127 0.000 0.974 355 S CB -0.351 62.810 63.200 -0.065 0.000 0.800 355 S HN 0.809 nan 8.310 nan 0.000 0.484 356 A N 2.898 125.495 122.820 -0.373 0.000 3.158 356 A HA 0.463 4.782 4.320 -0.002 0.000 0.319 356 A C -2.654 174.752 177.584 -0.298 0.000 1.204 356 A CA -1.687 49.906 52.037 -0.739 0.000 0.992 356 A CB 0.022 18.407 19.000 -1.025 0.000 1.110 356 A HN 0.190 nan 8.150 nan 0.000 0.519 357 P HA 0.323 nan 4.420 nan 0.000 0.275 357 P C 0.881 178.245 177.300 0.108 0.000 1.228 357 P CA 1.300 64.412 63.100 0.020 0.000 0.786 357 P CB 1.269 32.979 31.700 0.017 0.000 0.927 358 G N 1.287 110.161 108.800 0.123 0.000 2.175 358 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.244 358 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.244 358 G C 0.607 175.593 174.900 0.142 0.000 0.982 358 G CA 0.149 45.326 45.100 0.128 0.000 0.641 358 G HN 0.478 nan 8.290 nan 0.000 0.527 359 L N 1.965 123.271 121.223 0.138 0.000 2.093 359 L HA 0.160 4.499 4.340 -0.002 0.000 0.208 359 L C 2.834 179.996 176.870 0.486 0.000 1.085 359 L CA 2.928 57.864 54.840 0.160 0.000 0.755 359 L CB -0.266 41.660 42.059 -0.220 0.000 0.904 359 L HN 0.688 nan 8.230 nan 0.000 0.435 360 S N -2.906 113.103 115.700 0.514 0.000 2.631 360 S HA 0.009 4.478 4.470 -0.002 0.000 0.217 360 S C 1.297 176.097 174.600 0.334 0.000 0.958 360 S CA 0.240 58.710 58.200 0.450 0.000 0.920 360 S CB -0.210 63.269 63.200 0.464 0.000 0.776 360 S HN 0.370 nan 8.310 nan 0.000 0.517 361 D N 0.454 121.037 120.400 0.304 0.000 2.423 361 D HA 0.260 4.898 4.640 -0.002 0.000 0.208 361 D C 0.124 176.576 176.300 0.254 0.000 1.068 361 D CA 0.123 54.268 54.000 0.243 0.000 0.860 361 D CB 0.766 41.685 40.800 0.198 0.000 0.992 361 D HN 0.402 nan 8.370 nan 0.000 0.504 362 C N 0.584 120.065 119.300 0.303 0.000 2.349 362 C HA 0.698 5.157 4.460 -0.002 0.000 0.361 362 C C -0.065 175.230 174.990 0.509 0.000 1.189 362 C CA -0.867 58.353 59.018 0.336 0.000 2.155 362 C CB 0.114 27.983 27.740 0.215 0.000 2.336 362 C HN 0.357 nan 8.230 nan 0.000 0.540 363 Y N -1.375 119.053 120.300 0.212 0.000 2.638 363 Y HA 0.681 5.230 4.550 -0.002 0.000 0.335 363 Y C 0.465 176.436 175.900 0.119 0.000 1.155 363 Y CA -0.130 58.046 58.100 0.127 0.000 1.046 363 Y CB 0.598 39.056 38.460 -0.003 0.000 1.303 363 Y HN 1.254 nan 8.280 nan 0.000 0.460 364 G N 1.963 110.736 108.800 -0.045 0.000 2.634 364 G HA2 -0.420 3.539 3.960 -0.002 0.000 0.318 364 G HA3 -0.420 3.539 3.960 -0.002 0.000 0.318 364 G C 0.319 175.230 174.900 0.019 0.000 1.207 364 G CA 1.293 46.332 45.100 -0.102 0.000 0.987 364 G HN 0.786 nan 8.290 nan 0.000 0.547 365 D N 0.488 120.830 120.400 -0.096 0.000 2.077 365 D HA 0.017 4.656 4.640 -0.002 0.000 0.196 365 D C 2.200 178.492 176.300 -0.013 0.000 0.986 365 D CA 1.537 55.516 54.000 -0.036 0.000 0.829 365 D CB -0.590 40.167 40.800 -0.071 0.000 0.983 365 D HN 0.664 nan 8.370 nan 0.000 0.453 366 E N -0.376 119.789 120.200 -0.059 0.000 2.114 366 E HA -0.247 4.102 4.350 -0.002 0.000 0.199 366 E C 2.041 178.667 176.600 0.044 0.000 1.008 366 E CA 0.928 57.317 56.400 -0.017 0.000 0.810 366 E CB -0.270 29.424 29.700 -0.009 0.000 0.739 366 E HN 0.292 nan 8.360 nan 0.000 0.456 367 F N 1.465 121.392 119.950 -0.039 0.000 2.146 367 F HA -0.093 4.432 4.527 -0.003 0.000 0.298 367 F C 1.947 177.751 175.800 0.008 0.000 1.096 367 F CA 1.774 59.780 58.000 0.010 0.000 1.275 367 F CB -0.074 38.977 39.000 0.084 0.000 1.008 367 F HN -0.001 nan 8.300 nan 0.000 0.480 368 E N 0.387 120.690 120.200 0.173 0.000 2.106 368 E HA -0.126 4.223 4.350 -0.002 0.000 0.192 368 E C 2.401 178.956 176.600 -0.075 0.000 0.984 368 E CA 0.941 57.370 56.400 0.047 0.000 0.806 368 E CB -0.396 29.409 29.700 0.175 0.000 0.750 368 E HN 0.505 nan 8.360 nan 0.000 0.458 369 A N 1.539 124.311 122.820 -0.081 0.000 1.859 369 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 369 A C 2.088 179.531 177.584 -0.236 0.000 1.198 369 A CA 1.150 53.117 52.037 -0.116 0.000 0.629 369 A CB -0.743 18.202 19.000 -0.092 0.000 0.830 369 A HN 0.187 nan 8.150 nan 0.000 0.446 370 L N -1.748 119.270 121.223 -0.342 0.000 1.944 370 L HA -0.205 4.134 4.340 -0.002 0.000 0.218 370 L C 2.437 178.815 176.870 -0.820 0.000 1.075 370 L CA 2.714 57.201 54.840 -0.589 0.000 0.767 370 L CB -1.593 40.133 42.059 -0.554 0.000 0.890 370 L HN 0.616 nan 8.230 nan 0.000 0.434 371 Y N 0.521 120.244 120.300 -0.962 0.000 2.114 371 Y HA -0.332 4.217 4.550 -0.003 0.000 0.282 371 Y C 2.794 178.431 175.900 -0.438 0.000 1.165 371 Y CA 2.603 60.197 58.100 -0.844 0.000 1.148 371 Y CB -0.590 37.332 38.460 -0.896 0.000 0.972 371 Y HN 0.226 nan 8.280 nan 0.000 0.504 372 T N 0.468 114.975 114.554 -0.079 0.000 2.649 372 T HA -0.334 4.015 4.350 -0.002 0.000 0.268 372 T C 2.014 176.649 174.700 -0.108 0.000 1.036 372 T CA 2.142 64.236 62.100 -0.010 0.000 1.157 372 T CB -0.389 68.485 68.868 0.011 0.000 0.861 372 T HN 0.491 nan 8.240 nan 0.000 0.445 373 R N -0.724 119.661 120.500 -0.192 0.000 2.115 373 R HA -0.016 4.323 4.340 -0.002 0.000 0.226 373 R C 2.027 178.301 176.300 -0.043 0.000 1.100 373 R CA 1.253 57.272 56.100 -0.136 0.000 0.980 373 R CB -0.418 29.778 30.300 -0.173 0.000 0.875 373 R HN 0.572 nan 8.270 nan 0.000 0.445 374 Y N 0.786 120.933 120.300 -0.256 0.000 2.497 374 Y HA -0.098 4.451 4.550 -0.002 0.000 0.292 374 Y C 1.928 177.782 175.900 -0.076 0.000 1.137 374 Y CA 0.430 58.398 58.100 -0.220 0.000 1.285 374 Y CB 0.213 38.361 38.460 -0.519 0.000 0.991 374 Y HN 0.312 nan 8.280 nan 0.000 0.556 375 E N 0.572 120.761 120.200 -0.018 0.000 2.005 375 E HA -0.149 4.199 4.350 -0.002 0.000 0.191 375 E C 1.754 178.348 176.600 -0.009 0.000 0.987 375 E CA 0.580 56.958 56.400 -0.037 0.000 0.814 375 E CB -0.120 29.539 29.700 -0.068 0.000 0.772 375 E HN 0.095 nan 8.360 nan 0.000 0.453 376 K N 1.421 121.816 120.400 -0.008 0.000 1.987 376 K HA -0.275 4.044 4.320 -0.002 0.000 0.232 376 K C 1.880 178.483 176.600 0.005 0.000 1.034 376 K CA 2.081 58.367 56.287 -0.002 0.000 1.013 376 K CB -0.609 31.886 32.500 -0.007 0.000 0.736 376 K HN 0.060 nan 8.250 nan 0.000 0.446 377 E N -0.759 119.454 120.200 0.022 0.000 2.448 377 E HA -0.069 4.280 4.350 -0.002 0.000 0.203 377 E C 0.300 176.900 176.600 0.001 0.000 1.046 377 E CA 0.699 57.111 56.400 0.020 0.000 0.871 377 E CB -0.288 29.440 29.700 0.048 0.000 0.790 377 E HN 0.551 nan 8.360 nan 0.000 0.545 378 G N 1.110 109.910 108.800 -0.001 0.000 2.367 378 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.295 378 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.295 378 G C 0.485 175.360 174.900 -0.042 0.000 1.019 378 G CA 0.450 45.532 45.100 -0.030 0.000 1.224 378 G HN 0.177 nan 8.290 nan 0.000 0.510 379 R N -0.296 120.197 120.500 -0.011 0.000 2.335 379 R HA 0.232 4.571 4.340 -0.002 0.000 0.210 379 R C 1.545 177.780 176.300 -0.107 0.000 0.892 379 R CA 0.780 56.873 56.100 -0.012 0.000 1.048 379 R CB 0.529 30.835 30.300 0.011 0.000 1.067 379 R HN 0.560 nan 8.270 nan 0.000 0.524 380 G N 0.855 109.431 108.800 -0.374 0.000 3.175 380 G HA2 0.268 4.227 3.960 -0.002 0.000 0.153 380 G HA3 0.268 4.227 3.960 -0.002 0.000 0.153 380 G C -0.821 173.829 174.900 -0.416 0.000 1.216 380 G CA -0.283 44.377 45.100 -0.735 0.000 0.943 380 G HN -0.037 nan 8.290 nan 0.000 0.611 381 K N 1.103 121.257 120.400 -0.409 0.000 2.895 381 K HA 0.256 4.575 4.320 -0.002 0.000 0.191 381 K C -0.643 175.880 176.600 -0.129 0.000 1.117 381 K CA -0.240 55.931 56.287 -0.193 0.000 0.988 381 K CB 0.373 32.806 32.500 -0.110 0.000 1.181 381 K HN 0.387 nan 8.250 nan 0.000 0.598 382 T N 4.547 119.029 114.554 -0.120 0.000 2.800 382 T HA 0.001 4.350 4.350 -0.002 0.000 0.283 382 T C 0.638 175.376 174.700 0.063 0.000 0.999 382 T CA 0.542 62.623 62.100 -0.032 0.000 1.176 382 T CB -0.419 68.441 68.868 -0.014 0.000 0.973 382 T HN 0.583 nan 8.240 nan 0.000 0.519 383 I N -0.420 120.246 120.570 0.159 0.000 3.170 383 I HA 0.769 4.938 4.170 -0.002 0.000 0.312 383 I C -0.255 176.026 176.117 0.273 0.000 1.085 383 I CA -1.800 59.636 61.300 0.227 0.000 0.999 383 I CB 1.521 39.718 38.000 0.329 0.000 1.233 383 I HN 0.009 nan 8.210 nan 0.000 0.467 384 K N 2.757 123.303 120.400 0.242 0.000 2.336 384 K HA 0.380 4.699 4.320 -0.002 0.000 0.290 384 K C 0.917 177.701 176.600 0.307 0.000 1.067 384 K CA 0.808 57.226 56.287 0.218 0.000 0.962 384 K CB 0.536 33.128 32.500 0.153 0.000 1.008 384 K HN 0.739 nan 8.250 nan 0.000 0.467 385 A N 4.016 127.028 122.820 0.320 0.000 1.944 385 A HA -0.340 3.979 4.320 -0.002 0.000 0.222 385 A C 1.914 179.597 177.584 0.164 0.000 1.237 385 A CA 2.187 54.382 52.037 0.264 0.000 0.668 385 A CB -0.578 18.462 19.000 0.066 0.000 0.830 385 A HN 0.896 nan 8.150 nan 0.000 0.471 386 Q N -1.145 118.736 119.800 0.135 0.000 2.439 386 Q HA -0.134 4.205 4.340 -0.002 0.000 0.211 386 Q C 2.000 178.207 176.000 0.345 0.000 0.978 386 Q CA 1.532 57.451 55.803 0.194 0.000 0.897 386 Q CB -0.084 28.719 28.738 0.108 0.000 0.956 386 Q HN 0.770 nan 8.270 nan 0.000 0.483 387 K N 0.119 120.729 120.400 0.351 0.000 1.991 387 K HA -0.120 4.198 4.320 -0.002 0.000 0.207 387 K C 1.821 178.753 176.600 0.552 0.000 1.045 387 K CA 0.729 57.261 56.287 0.409 0.000 0.937 387 K CB -0.127 32.594 32.500 0.369 0.000 0.720 387 K HN 0.179 nan 8.250 nan 0.000 0.438 388 L N 0.681 122.260 121.223 0.594 0.000 1.941 388 L HA -0.305 4.034 4.340 -0.002 0.000 0.224 388 L C 2.366 179.489 176.870 0.423 0.000 1.081 388 L CA 2.014 57.108 54.840 0.422 0.000 0.784 388 L CB -0.661 41.656 42.059 0.429 0.000 0.894 388 L HN 0.608 nan 8.230 nan 0.000 0.436 389 W N -0.356 121.176 121.300 0.387 0.000 2.274 389 W HA -0.371 4.289 4.660 0.000 0.000 0.314 389 W C 2.445 179.093 176.519 0.214 0.000 1.254 389 W CA 2.310 59.827 57.345 0.287 0.000 1.265 389 W CB -0.768 28.795 29.460 0.172 0.000 1.141 389 W HN 0.297 nan 8.180 nan 0.000 0.505 390 Y N 0.715 121.240 120.300 0.375 0.000 2.114 390 Y HA -0.250 4.299 4.550 -0.001 0.000 0.284 390 Y C 3.157 179.134 175.900 0.129 0.000 1.143 390 Y CA 2.952 61.199 58.100 0.245 0.000 1.135 390 Y CB -0.949 37.660 38.460 0.249 0.000 0.980 390 Y HN -0.220 nan 8.280 nan 0.000 0.499 391 S N 0.207 116.104 115.700 0.328 0.000 2.353 391 S HA -0.222 4.246 4.470 -0.002 0.000 0.222 391 S C 2.027 176.647 174.600 0.034 0.000 1.035 391 S CA 1.637 59.974 58.200 0.229 0.000 1.025 391 S CB -0.622 62.821 63.200 0.405 0.000 0.902 391 S HN 0.378 nan 8.310 nan 0.000 0.440 392 I N 1.551 122.091 120.570 -0.049 0.000 2.065 392 I HA -0.319 3.850 4.170 -0.002 0.000 0.236 392 I C 2.227 178.190 176.117 -0.257 0.000 1.028 392 I CA 1.530 62.712 61.300 -0.196 0.000 1.299 392 I CB -0.934 36.877 38.000 -0.313 0.000 1.015 392 I HN 0.282 nan 8.210 nan 0.000 0.396 393 L N 0.408 121.397 121.223 -0.389 0.000 1.997 393 L HA -0.335 4.004 4.340 -0.002 0.000 0.227 393 L C 2.666 179.406 176.870 -0.218 0.000 1.087 393 L CA 1.995 56.624 54.840 -0.352 0.000 0.797 393 L CB -0.871 40.924 42.059 -0.440 0.000 0.902 393 L HN 0.335 nan 8.230 nan 0.000 0.441 394 E N -0.415 119.681 120.200 -0.173 0.000 2.108 394 E HA -0.319 4.030 4.350 -0.002 0.000 0.203 394 E C 2.179 178.730 176.600 -0.082 0.000 1.022 394 E CA 1.442 57.785 56.400 -0.094 0.000 0.823 394 E CB -0.282 29.408 29.700 -0.016 0.000 0.744 394 E HN 0.595 nan 8.360 nan 0.000 0.456 395 A N 1.387 124.155 122.820 -0.087 0.000 1.877 395 A HA -0.272 4.047 4.320 -0.002 0.000 0.216 395 A C 2.113 179.627 177.584 -0.116 0.000 1.186 395 A CA 1.593 53.576 52.037 -0.091 0.000 0.620 395 A CB -0.506 18.433 19.000 -0.101 0.000 0.822 395 A HN 0.221 nan 8.150 nan 0.000 0.443 396 Q N -0.636 119.077 119.800 -0.145 0.000 2.096 396 Q HA -0.160 4.179 4.340 -0.002 0.000 0.204 396 Q C 2.196 178.102 176.000 -0.157 0.000 0.982 396 Q CA 2.007 57.713 55.803 -0.161 0.000 0.850 396 Q CB -0.754 27.888 28.738 -0.160 0.000 0.901 396 Q HN 0.710 nan 8.270 nan 0.000 0.422 397 T N 1.465 115.942 114.554 -0.129 0.000 2.614 397 T HA -0.153 4.196 4.350 -0.002 0.000 0.263 397 T C 1.672 176.327 174.700 -0.076 0.000 1.055 397 T CA 1.549 63.586 62.100 -0.104 0.000 1.162 397 T CB -0.301 68.518 68.868 -0.082 0.000 0.863 397 T HN 0.266 nan 8.240 nan 0.000 0.414 398 E N 0.647 120.812 120.200 -0.059 0.000 2.118 398 E HA -0.109 4.239 4.350 -0.002 0.000 0.195 398 E C 2.404 178.988 176.600 -0.028 0.000 0.992 398 E CA 1.805 58.185 56.400 -0.033 0.000 0.804 398 E CB -0.099 29.586 29.700 -0.025 0.000 0.741 398 E HN 0.747 nan 8.360 nan 0.000 0.458 399 T N -5.613 108.911 114.554 -0.051 0.000 2.964 399 T HA 0.315 4.663 4.350 -0.002 0.000 0.250 399 T C 1.316 175.996 174.700 -0.034 0.000 0.982 399 T CA 0.127 62.209 62.100 -0.030 0.000 0.959 399 T CB 0.796 69.636 68.868 -0.047 0.000 1.141 399 T HN 0.213 nan 8.240 nan 0.000 0.494 400 G N 1.999 110.724 108.800 -0.125 0.000 2.341 400 G HA2 0.108 4.067 3.960 -0.002 0.000 0.278 400 G HA3 0.108 4.067 3.960 -0.002 0.000 0.278 400 G C 0.080 174.911 174.900 -0.116 0.000 1.111 400 G CA 0.461 45.404 45.100 -0.262 0.000 0.982 400 G HN 1.786 nan 8.290 nan 0.000 0.502 401 T N -3.161 111.306 114.554 -0.145 0.000 2.843 401 T HA 0.658 5.007 4.350 -0.002 0.000 0.337 401 T C -3.360 171.201 174.700 -0.231 0.000 1.754 401 T CA -0.501 61.440 62.100 -0.265 0.000 1.052 401 T CB 2.645 71.308 68.868 -0.342 0.000 1.588 401 T HN 0.245 nan 8.240 nan 0.000 0.493 402 P HA 0.323 nan 4.420 nan 0.000 0.272 402 P C -0.361 176.844 177.300 -0.159 0.000 1.230 402 P CA -0.465 62.449 63.100 -0.311 0.000 0.788 402 P CB 0.381 31.961 31.700 -0.200 0.000 0.949 403 F N -0.346 119.524 119.950 -0.135 0.000 2.410 403 F HA 0.241 4.766 4.527 -0.002 0.000 0.334 403 F C 0.825 176.538 175.800 -0.145 0.000 1.134 403 F CA -0.926 57.004 58.000 -0.116 0.000 1.227 403 F CB 0.774 39.785 39.000 0.019 0.000 1.194 403 F HN -0.060 nan 8.300 nan 0.000 0.571 404 V N 3.424 123.355 119.914 0.029 0.000 2.378 404 V HA 0.374 4.492 4.120 -0.002 0.000 0.288 404 V C -0.360 175.564 176.094 -0.283 0.000 1.016 404 V CA -0.636 61.518 62.300 -0.243 0.000 0.840 404 V CB 1.381 32.893 31.823 -0.519 0.000 0.994 404 V HN 0.468 nan 8.190 nan 0.000 0.431 405 V N 4.656 124.440 119.914 -0.217 0.000 2.715 405 V HA 0.484 4.602 4.120 -0.002 0.000 0.310 405 V C -1.084 174.680 176.094 -0.551 0.000 1.054 405 V CA -0.924 61.251 62.300 -0.208 0.000 0.928 405 V CB 2.101 34.098 31.823 0.290 0.000 1.007 405 V HN 0.744 nan 8.190 nan 0.000 0.437 406 Y N 2.837 122.973 120.300 -0.273 0.000 2.518 406 Y HA 0.282 4.831 4.550 -0.002 0.000 0.344 406 Y C 1.418 176.936 175.900 -0.636 0.000 0.982 406 Y CA -0.296 57.593 58.100 -0.350 0.000 1.234 406 Y CB 1.099 39.495 38.460 -0.107 0.000 1.114 406 Y HN 0.694 nan 8.280 nan 0.000 0.515 407 K N 1.812 121.670 120.400 -0.905 0.000 2.077 407 K HA -0.282 4.037 4.320 -0.002 0.000 0.213 407 K C 0.648 176.934 176.600 -0.524 0.000 1.051 407 K CA 2.483 58.021 56.287 -1.248 0.000 0.929 407 K CB 0.092 31.904 32.500 -1.146 0.000 0.715 407 K HN 0.712 nan 8.250 nan 0.000 0.451 408 D N -0.133 120.115 120.400 -0.252 0.000 2.137 408 D HA -0.051 4.588 4.640 -0.002 0.000 0.202 408 D C 1.928 178.191 176.300 -0.062 0.000 0.970 408 D CA 1.101 55.087 54.000 -0.023 0.000 0.837 408 D CB -0.179 40.636 40.800 0.024 0.000 0.981 408 D HN 0.385 nan 8.370 nan 0.000 0.475 409 A N 0.788 123.539 122.820 -0.114 0.000 1.927 409 A HA -0.243 4.076 4.320 -0.002 0.000 0.220 409 A C 2.538 179.996 177.584 -0.209 0.000 1.185 409 A CA 1.533 53.459 52.037 -0.184 0.000 0.639 409 A CB -0.998 17.923 19.000 -0.132 0.000 0.820 409 A HN 0.339 nan 8.150 nan 0.000 0.451 410 C N -1.049 118.136 119.300 -0.191 0.000 2.486 410 C HA -0.004 4.455 4.460 -0.002 0.000 0.279 410 C C 2.717 177.621 174.990 -0.143 0.000 1.302 410 C CA 0.917 59.847 59.018 -0.146 0.000 1.720 410 C CB -1.317 26.356 27.740 -0.111 0.000 2.030 410 C HN 0.653 nan 8.230 nan 0.000 0.490 411 N N 0.395 118.967 118.700 -0.214 0.000 2.171 411 N HA -0.078 4.661 4.740 -0.002 0.000 0.184 411 N C 1.977 177.368 175.510 -0.198 0.000 1.021 411 N CA 0.755 53.596 53.050 -0.348 0.000 0.854 411 N CB -0.396 37.510 38.487 -0.968 0.000 0.994 411 N HN 0.503 nan 8.380 nan 0.000 0.426 412 R N 1.394 121.898 120.500 0.008 0.000 2.096 412 R HA -0.078 4.261 4.340 -0.002 0.000 0.240 412 R C 0.524 176.772 176.300 -0.087 0.000 1.139 412 R CA 1.557 57.706 56.100 0.081 0.000 0.952 412 R CB 0.110 30.426 30.300 0.027 0.000 0.854 412 R HN 0.035 nan 8.270 nan 0.000 0.436 413 K N -0.195 120.096 120.400 -0.181 0.000 2.681 413 K HA 0.146 4.465 4.320 -0.002 0.000 0.211 413 K C -0.662 175.846 176.600 -0.154 0.000 1.075 413 K CA -0.266 55.877 56.287 -0.240 0.000 1.141 413 K CB 1.350 33.563 32.500 -0.480 0.000 0.896 413 K HN -0.040 nan 8.250 nan 0.000 0.470 414 S N 0.185 115.818 115.700 -0.111 0.000 2.525 414 S HA 0.158 4.627 4.470 -0.002 0.000 0.290 414 S C 0.628 175.190 174.600 -0.062 0.000 1.152 414 S CA -0.700 57.453 58.200 -0.079 0.000 1.072 414 S CB 1.063 64.212 63.200 -0.085 0.000 1.027 414 S HN 0.338 nan 8.310 nan 0.000 0.500 415 N N 2.701 121.378 118.700 -0.037 0.000 2.467 415 N HA 0.067 4.806 4.740 -0.002 0.000 0.184 415 N C 0.892 176.389 175.510 -0.022 0.000 1.106 415 N CA 0.662 53.705 53.050 -0.012 0.000 0.892 415 N CB 0.100 38.611 38.487 0.040 0.000 0.969 415 N HN 0.668 nan 8.380 nan 0.000 0.454 416 Q N -0.376 119.386 119.800 -0.063 0.000 2.189 416 Q HA 0.074 4.413 4.340 -0.002 0.000 0.221 416 Q C 0.920 176.835 176.000 -0.141 0.000 0.848 416 Q CA -0.231 55.508 55.803 -0.107 0.000 1.007 416 Q CB 0.457 29.104 28.738 -0.150 0.000 1.116 416 Q HN 0.488 nan 8.270 nan 0.000 0.481 417 K N 0.134 120.470 120.400 -0.107 0.000 2.209 417 K HA -0.200 4.119 4.320 -0.002 0.000 0.204 417 K C 1.229 177.754 176.600 -0.125 0.000 1.048 417 K CA 1.794 58.011 56.287 -0.115 0.000 0.940 417 K CB -0.380 32.083 32.500 -0.062 0.000 0.729 417 K HN 0.328 nan 8.250 nan 0.000 0.451 418 N N 1.894 120.526 118.700 -0.113 0.000 2.149 418 N HA -0.193 4.546 4.740 -0.002 0.000 0.188 418 N C 1.880 177.293 175.510 -0.163 0.000 1.019 418 N CA 1.289 54.274 53.050 -0.108 0.000 0.857 418 N CB -0.625 37.812 38.487 -0.084 0.000 0.997 418 N HN 0.191 nan 8.380 nan 0.000 0.426 419 L N -0.272 120.788 121.223 -0.271 0.000 1.973 419 L HA 0.174 4.513 4.340 -0.002 0.000 0.208 419 L C 1.648 178.172 176.870 -0.577 0.000 1.073 419 L CA 1.417 55.992 54.840 -0.441 0.000 0.746 419 L CB -0.858 40.816 42.059 -0.640 0.000 0.891 419 L HN 0.428 nan 8.230 nan 0.000 0.433 420 G N -1.356 107.021 108.800 -0.706 0.000 2.619 420 G HA2 0.392 4.351 3.960 -0.002 0.000 0.146 420 G HA3 0.392 4.351 3.960 -0.002 0.000 0.146 420 G C -1.698 173.076 174.900 -0.209 0.000 1.192 420 G CA -0.336 44.510 45.100 -0.423 0.000 1.063 420 G HN -0.189 nan 8.290 nan 0.000 0.538 421 V N 1.470 121.402 119.914 0.029 0.000 2.357 421 V HA 0.384 4.503 4.120 -0.002 0.000 0.284 421 V C 0.182 176.366 176.094 0.149 0.000 1.018 421 V CA -0.426 61.892 62.300 0.030 0.000 0.841 421 V CB 1.115 32.971 31.823 0.055 0.000 0.991 421 V HN 0.509 nan 8.190 nan 0.000 0.437 422 I N 6.192 126.817 120.570 0.092 0.000 2.769 422 I HA -0.023 4.146 4.170 -0.002 0.000 0.285 422 I C 1.454 177.576 176.117 0.007 0.000 1.173 422 I CA 0.566 61.907 61.300 0.068 0.000 1.389 422 I CB 0.295 38.345 38.000 0.083 0.000 1.404 422 I HN 0.661 nan 8.210 nan 0.000 0.544 423 K N 4.149 124.318 120.400 -0.386 0.000 2.356 423 K HA 0.117 4.436 4.320 -0.002 0.000 0.195 423 K C 0.475 176.070 176.600 -1.676 0.000 1.037 423 K CA 0.282 56.128 56.287 -0.736 0.000 1.014 423 K CB 0.228 32.184 32.500 -0.908 0.000 0.815 423 K HN 0.732 nan 8.250 nan 0.000 0.507 424 S N -0.988 113.747 115.700 -1.608 0.000 2.587 424 S HA 0.338 4.807 4.470 -0.002 0.000 0.269 424 S C -0.493 173.290 174.600 -1.363 0.000 1.154 424 S CA -0.831 56.215 58.200 -1.923 0.000 0.824 424 S CB 1.853 64.341 63.200 -1.187 0.000 1.118 424 S HN 0.014 nan 8.310 nan 0.000 0.462 425 S N 0.810 115.628 115.700 -1.471 0.000 3.339 425 S HA 0.700 5.169 4.470 -0.002 0.000 0.221 425 S C -0.488 173.737 174.600 -0.626 0.000 1.059 425 S CA -0.094 57.717 58.200 -0.649 0.000 1.365 425 S CB 0.138 63.277 63.200 -0.101 0.000 1.065 425 S HN 1.161 nan 8.310 nan 0.000 0.618 426 N N -0.161 118.476 118.700 -0.106 0.000 2.853 426 N HA 0.206 4.945 4.740 -0.002 0.000 0.258 426 N C 0.432 176.107 175.510 0.274 0.000 1.444 426 N CA -0.628 52.489 53.050 0.111 0.000 0.837 426 N CB 0.501 38.982 38.487 -0.010 0.000 1.489 426 N HN 0.482 nan 8.380 nan 0.000 0.529 427 L N 1.014 122.380 121.223 0.240 0.000 1.951 427 L HA 0.033 4.372 4.340 -0.002 0.000 0.222 427 L C 0.420 177.366 176.870 0.126 0.000 1.078 427 L CA 1.511 56.516 54.840 0.275 0.000 0.778 427 L CB -0.751 41.435 42.059 0.213 0.000 0.893 427 L HN 0.699 nan 8.230 nan 0.000 0.436 428 C N 0.639 119.891 119.300 -0.080 0.000 2.638 428 C HA 0.048 4.507 4.460 -0.002 0.000 0.410 428 C C 1.423 176.112 174.990 -0.501 0.000 1.404 428 C CA -0.851 57.900 59.018 -0.444 0.000 1.651 428 C CB -1.556 26.027 27.740 -0.262 0.000 2.495 428 C HN 0.571 nan 8.230 nan 0.000 0.606 429 C N 4.790 123.492 119.300 -0.996 0.000 3.305 429 C HA 0.056 4.514 4.460 -0.002 0.000 0.566 429 C C 1.895 176.748 174.990 -0.227 0.000 1.178 429 C CA -0.109 58.705 59.018 -0.339 0.000 1.317 429 C CB -2.330 25.328 27.740 -0.138 0.000 1.634 429 C HN 0.969 nan 8.230 nan 0.000 0.643 430 E N 1.840 121.934 120.200 -0.177 0.000 2.134 430 E HA 0.024 4.373 4.350 -0.002 0.000 0.194 430 E C 0.926 177.500 176.600 -0.044 0.000 0.937 430 E CA 0.206 56.547 56.400 -0.098 0.000 0.874 430 E CB -0.161 29.483 29.700 -0.093 0.000 0.853 430 E HN 0.685 nan 8.360 nan 0.000 0.471 431 I N 0.836 121.372 120.570 -0.056 0.000 2.612 431 I HA 0.373 4.542 4.170 -0.002 0.000 0.295 431 I C -0.428 175.660 176.117 -0.049 0.000 1.011 431 I CA -0.872 60.397 61.300 -0.051 0.000 1.326 431 I CB 1.949 39.906 38.000 -0.072 0.000 1.427 431 I HN -0.001 nan 8.210 nan 0.000 0.537 432 V N 5.497 125.392 119.914 -0.032 0.000 2.568 432 V HA 0.579 4.698 4.120 -0.002 0.000 0.276 432 V C -1.173 174.906 176.094 -0.024 0.000 1.002 432 V CA 0.037 62.326 62.300 -0.018 0.000 0.879 432 V CB 1.120 32.978 31.823 0.058 0.000 1.040 432 V HN 1.028 nan 8.190 nan 0.000 0.457 433 E N 4.593 124.764 120.200 -0.049 0.000 2.356 433 E HA 0.387 4.736 4.350 -0.002 0.000 0.275 433 E C -1.579 175.021 176.600 -0.000 0.000 0.904 433 E CA -1.020 55.366 56.400 -0.024 0.000 0.757 433 E CB 2.326 32.011 29.700 -0.025 0.000 1.232 433 E HN 0.634 nan 8.360 nan 0.000 0.442 434 Y N 2.323 122.562 120.300 -0.102 0.000 2.805 434 Y HA 0.127 4.676 4.550 -0.002 0.000 0.337 434 Y C -0.164 175.721 175.900 -0.024 0.000 1.252 434 Y CA 0.349 58.398 58.100 -0.085 0.000 1.515 434 Y CB 0.593 38.987 38.460 -0.110 0.000 1.305 434 Y HN 0.547 nan 8.280 nan 0.000 0.600 435 S N 4.063 119.364 115.700 -0.665 0.000 2.536 435 S HA 0.957 5.426 4.470 -0.002 0.000 0.271 435 S C -1.248 172.924 174.600 -0.713 0.000 1.134 435 S CA -0.349 57.528 58.200 -0.538 0.000 0.897 435 S CB 1.548 64.643 63.200 -0.176 0.000 1.094 435 S HN 1.241 nan 8.310 nan 0.000 0.473 436 A N 2.120 124.677 122.820 -0.439 0.000 2.566 436 A HA 0.933 5.252 4.320 -0.002 0.000 0.292 436 A C -2.553 174.985 177.584 -0.076 0.000 1.112 436 A CA -1.866 50.033 52.037 -0.230 0.000 0.707 436 A CB 0.908 19.801 19.000 -0.178 0.000 1.302 436 A HN 0.572 nan 8.150 nan 0.000 0.409 437 P HA -0.076 nan 4.420 nan 0.000 0.231 437 P C 0.113 177.410 177.300 -0.005 0.000 1.158 437 P CA 1.681 64.773 63.100 -0.012 0.000 0.763 437 P CB 0.129 31.838 31.700 0.014 0.000 0.805 438 D N -1.512 118.889 120.400 0.002 0.000 2.503 438 D HA 0.042 4.681 4.640 -0.002 0.000 0.218 438 D C -0.091 176.209 176.300 0.000 0.000 1.183 438 D CA -0.055 53.949 54.000 0.007 0.000 0.827 438 D CB 0.077 40.891 40.800 0.023 0.000 1.034 438 D HN 0.088 nan 8.370 nan 0.000 0.510 439 E N 0.160 120.347 120.200 -0.023 0.000 2.218 439 E HA 0.342 4.690 4.350 -0.002 0.000 0.263 439 E C -0.975 175.601 176.600 -0.041 0.000 0.879 439 E CA -0.540 55.846 56.400 -0.023 0.000 0.762 439 E CB 1.971 31.674 29.700 0.006 0.000 1.166 439 E HN -0.100 nan 8.360 nan 0.000 0.415 440 T N 1.903 116.463 114.554 0.009 0.000 2.758 440 T HA 0.443 4.791 4.350 -0.002 0.000 0.285 440 T C -0.084 174.663 174.700 0.078 0.000 0.981 440 T CA -0.470 61.655 62.100 0.042 0.000 0.965 440 T CB 1.116 70.037 68.868 0.089 0.000 0.927 440 T HN 0.512 nan 8.240 nan 0.000 0.448 441 A N 3.555 126.397 122.820 0.036 0.000 2.322 441 A HA 0.726 5.045 4.320 -0.002 0.000 0.269 441 A C 0.025 177.597 177.584 -0.021 0.000 1.094 441 A CA -0.489 51.563 52.037 0.025 0.000 0.807 441 A CB 0.422 19.415 19.000 -0.011 0.000 1.047 441 A HN 0.672 nan 8.150 nan 0.000 0.487 442 V N -0.294 119.578 119.914 -0.069 0.000 2.881 442 V HA 0.400 4.519 4.120 -0.002 0.000 0.316 442 V C -0.313 175.641 176.094 -0.234 0.000 1.070 442 V CA -0.702 61.443 62.300 -0.259 0.000 0.976 442 V CB 1.624 33.310 31.823 -0.228 0.000 1.038 442 V HN 0.982 nan 8.190 nan 0.000 0.446 443 C N 2.813 121.920 119.300 -0.322 0.000 2.258 443 C HA 0.513 4.972 4.460 -0.002 0.000 0.321 443 C C -0.078 174.802 174.990 -0.183 0.000 1.168 443 C CA -1.233 57.663 59.018 -0.204 0.000 1.531 443 C CB -1.351 26.281 27.740 -0.179 0.000 2.095 443 C HN 0.781 nan 8.230 nan 0.000 0.449 444 N N 3.848 122.471 118.700 -0.128 0.000 2.437 444 N HA 0.716 5.455 4.740 -0.002 0.000 0.259 444 N C -0.794 174.663 175.510 -0.089 0.000 0.983 444 N CA -0.226 52.767 53.050 -0.094 0.000 0.937 444 N CB 1.935 40.384 38.487 -0.063 0.000 1.122 444 N HN 0.810 nan 8.380 nan 0.000 0.499 445 L N -0.939 120.233 121.223 -0.086 0.000 2.506 445 L HA 1.008 5.347 4.340 -0.002 0.000 0.257 445 L C -1.161 175.615 176.870 -0.157 0.000 0.964 445 L CA -0.964 53.809 54.840 -0.112 0.000 0.836 445 L CB 1.839 43.846 42.059 -0.088 0.000 1.384 445 L HN 0.433 nan 8.230 nan 0.000 0.410 446 A N 1.184 123.861 122.820 -0.239 0.000 2.564 446 A HA 1.020 5.338 4.320 -0.002 0.000 0.288 446 A C -0.949 176.526 177.584 -0.181 0.000 1.164 446 A CA -0.054 51.788 52.037 -0.327 0.000 0.712 446 A CB 1.897 20.414 19.000 -0.806 0.000 1.303 446 A HN 1.437 nan 8.150 nan 0.000 0.418 447 S N -0.691 114.954 115.700 -0.092 0.000 2.566 447 S HA 0.628 5.097 4.470 -0.002 0.000 0.273 447 S C -1.089 173.537 174.600 0.044 0.000 1.157 447 S CA -0.611 57.565 58.200 -0.039 0.000 0.938 447 S CB 0.901 64.089 63.200 -0.020 0.000 1.087 447 S HN 1.051 nan 8.310 nan 0.000 0.474 448 V N 1.743 121.674 119.914 0.029 0.000 2.539 448 V HA 0.761 4.880 4.120 -0.002 0.000 0.292 448 V C 0.593 176.789 176.094 0.170 0.000 1.045 448 V CA -0.605 61.781 62.300 0.144 0.000 0.945 448 V CB 1.656 33.528 31.823 0.082 0.000 0.993 448 V HN 1.187 nan 8.190 nan 0.000 0.464 449 A N 4.527 127.515 122.820 0.280 0.000 2.798 449 A HA 0.460 4.779 4.320 -0.002 0.000 0.316 449 A C 1.119 178.924 177.584 0.369 0.000 1.506 449 A CA -0.316 51.854 52.037 0.221 0.000 1.162 449 A CB -0.398 18.682 19.000 0.134 0.000 1.138 449 A HN 0.912 nan 8.150 nan 0.000 0.532 450 L N 1.899 123.289 121.223 0.279 0.000 2.034 450 L HA -0.199 4.140 4.340 -0.002 0.000 0.217 450 L C -0.494 176.702 176.870 0.543 0.000 1.077 450 L CA 1.792 56.851 54.840 0.366 0.000 0.769 450 L CB -1.260 40.865 42.059 0.110 0.000 0.890 450 L HN 0.413 nan 8.230 nan 0.000 0.435 451 P HA -0.151 nan 4.420 nan 0.000 0.219 451 P C 0.540 177.936 177.300 0.160 0.000 1.146 451 P CA 1.466 64.717 63.100 0.251 0.000 0.808 451 P CB -0.033 31.760 31.700 0.155 0.000 0.779 452 A N -1.655 121.214 122.820 0.082 0.000 3.019 452 A HA 0.247 4.566 4.320 -0.002 0.000 0.262 452 A C 0.076 177.345 177.584 -0.524 0.000 1.509 452 A CA 0.027 51.958 52.037 -0.178 0.000 1.159 452 A CB -1.632 17.221 19.000 -0.245 0.000 1.042 452 A HN 0.097 nan 8.150 nan 0.000 0.641 453 F N -1.490 118.343 119.950 -0.195 0.000 2.915 453 F HA 0.352 4.878 4.527 -0.002 0.000 0.347 453 F C 0.373 175.813 175.800 -0.599 0.000 1.104 453 F CA -0.759 56.978 58.000 -0.437 0.000 1.126 453 F CB -0.050 38.537 39.000 -0.687 0.000 1.145 453 F HN 0.075 nan 8.300 nan 0.000 0.541 454 I N 1.993 122.413 120.570 -0.251 0.000 2.618 454 I HA 0.091 4.260 4.170 -0.002 0.000 0.284 454 I C -0.190 175.894 176.117 -0.055 0.000 1.146 454 I CA 1.045 62.286 61.300 -0.098 0.000 1.425 454 I CB 0.419 38.441 38.000 0.038 0.000 1.383 454 I HN 0.165 nan 8.210 nan 0.000 0.562 455 E N 3.669 123.851 120.200 -0.030 0.000 2.347 455 E HA 0.248 4.597 4.350 -0.002 0.000 0.285 455 E C -0.942 175.653 176.600 -0.008 0.000 0.925 455 E CA -0.659 55.729 56.400 -0.021 0.000 0.779 455 E CB 1.771 31.452 29.700 -0.032 0.000 1.233 455 E HN 0.533 nan 8.360 nan 0.000 0.414 462 T N 0.940 115.509 114.554 0.025 0.000 2.816 462 T HA 0.536 4.885 4.350 -0.002 0.000 0.282 462 T C 0.332 175.047 174.700 0.024 0.000 0.993 462 T CA 0.159 62.277 62.100 0.029 0.000 0.994 462 T CB 1.344 70.228 68.868 0.026 0.000 1.025 462 T HN 0.246 nan 8.240 nan 0.000 0.529 463 S N 0.629 116.348 115.700 0.031 0.000 2.740 463 S HA 0.831 5.300 4.470 -0.002 0.000 0.300 463 S C -0.268 174.349 174.600 0.027 0.000 1.147 463 S CA -0.796 57.421 58.200 0.028 0.000 0.871 463 S CB 1.391 64.615 63.200 0.040 0.000 1.173 463 S HN 1.138 nan 8.310 nan 0.000 0.510 464 T N -1.583 112.981 114.554 0.017 0.000 2.807 464 T HA 0.643 4.992 4.350 -0.002 0.000 0.277 464 T C -1.599 173.129 174.700 0.047 0.000 1.006 464 T CA -0.630 61.478 62.100 0.013 0.000 1.006 464 T CB 0.815 69.655 68.868 -0.047 0.000 1.274 464 T HN 0.636 nan 8.240 nan 0.000 0.569 465 Y N 1.218 121.447 120.300 -0.119 0.000 2.352 465 Y HA 0.480 5.029 4.550 -0.002 0.000 0.339 465 Y C -0.027 175.758 175.900 -0.192 0.000 0.992 465 Y CA -0.961 57.102 58.100 -0.061 0.000 1.100 465 Y CB 1.384 39.874 38.460 0.050 0.000 1.192 465 Y HN 0.691 nan 8.280 nan 0.000 0.458 466 N N 6.187 124.849 118.700 -0.062 0.000 2.415 466 N HA 0.058 4.797 4.740 -0.002 0.000 0.250 466 N C 0.085 175.809 175.510 0.356 0.000 1.127 466 N CA 0.371 53.468 53.050 0.078 0.000 0.945 466 N CB -0.181 38.361 38.487 0.091 0.000 1.196 466 N HN 0.797 nan 8.380 nan 0.000 0.499 467 F N 1.927 122.043 119.950 0.278 0.000 2.456 467 F HA -0.036 4.490 4.527 -0.002 0.000 0.298 467 F C 1.821 177.822 175.800 0.335 0.000 1.104 467 F CA 0.106 58.289 58.000 0.305 0.000 1.435 467 F CB 0.390 39.580 39.000 0.317 0.000 1.078 467 F HN 0.355 nan 8.300 nan 0.000 0.546 468 K N 0.621 121.272 120.400 0.418 0.000 2.002 468 K HA -0.152 4.167 4.320 -0.002 0.000 0.209 468 K C 2.012 178.792 176.600 0.300 0.000 1.048 468 K CA 0.954 57.456 56.287 0.359 0.000 0.930 468 K CB -0.155 32.466 32.500 0.202 0.000 0.714 468 K HN -0.187 nan 8.250 nan 0.000 0.438 469 K N 0.943 121.504 120.400 0.268 0.000 2.074 469 K HA -0.157 4.162 4.320 -0.002 0.000 0.209 469 K C 2.012 178.802 176.600 0.316 0.000 1.048 469 K CA 1.162 57.626 56.287 0.294 0.000 0.926 469 K CB -0.577 32.181 32.500 0.431 0.000 0.713 469 K HN 0.040 nan 8.250 nan 0.000 0.444 470 L N 0.252 121.526 121.223 0.085 0.000 1.948 470 L HA -0.203 4.135 4.340 -0.002 0.000 0.212 470 L C 2.332 179.138 176.870 -0.108 0.000 1.074 470 L CA 2.149 56.785 54.840 -0.340 0.000 0.753 470 L CB -1.027 40.838 42.059 -0.325 0.000 0.888 470 L HN 0.366 nan 8.230 nan 0.000 0.432 471 H N -0.854 118.139 119.070 -0.127 0.000 2.400 471 H HA -0.243 4.312 4.556 -0.002 0.000 0.295 471 H C 2.172 177.397 175.328 -0.172 0.000 1.118 471 H CA 2.296 58.186 56.048 -0.263 0.000 1.256 471 H CB 0.126 29.718 29.762 -0.284 0.000 1.365 471 H HN 0.562 nan 8.280 nan 0.000 0.502 472 E N -0.227 120.012 120.200 0.065 0.000 1.999 472 E HA -0.127 4.222 4.350 -0.002 0.000 0.194 472 E C 2.348 178.923 176.600 -0.042 0.000 0.995 472 E CA 1.089 57.508 56.400 0.032 0.000 0.825 472 E CB -0.168 29.581 29.700 0.081 0.000 0.777 472 E HN 0.467 nan 8.360 nan 0.000 0.459 473 I N 1.103 121.679 120.570 0.012 0.000 2.143 473 I HA -0.364 3.805 4.170 -0.002 0.000 0.245 473 I C 2.364 178.403 176.117 -0.129 0.000 1.068 473 I CA 1.560 62.860 61.300 0.001 0.000 1.326 473 I CB -0.211 37.887 38.000 0.164 0.000 1.028 473 I HN 0.260 nan 8.210 nan 0.000 0.412 474 A N -0.505 122.209 122.820 -0.176 0.000 2.066 474 A HA -0.174 4.145 4.320 -0.002 0.000 0.218 474 A C 2.282 179.687 177.584 -0.299 0.000 1.157 474 A CA 1.151 53.028 52.037 -0.267 0.000 0.670 474 A CB -0.365 18.454 19.000 -0.301 0.000 0.804 474 A HN 0.311 nan 8.150 nan 0.000 0.453 475 K N -0.269 119.952 120.400 -0.299 0.000 1.985 475 K HA -0.106 4.213 4.320 -0.002 0.000 0.210 475 K C 1.947 178.434 176.600 -0.188 0.000 1.047 475 K CA 1.579 57.707 56.287 -0.264 0.000 0.932 475 K CB -0.477 31.885 32.500 -0.230 0.000 0.716 475 K HN 0.277 nan 8.250 nan 0.000 0.439 476 V N 1.193 121.013 119.914 -0.157 0.000 2.233 476 V HA -0.324 3.795 4.120 -0.002 0.000 0.252 476 V C 2.390 178.363 176.094 -0.202 0.000 1.063 476 V CA 2.032 64.254 62.300 -0.130 0.000 1.032 476 V CB -0.531 31.244 31.823 -0.081 0.000 0.645 476 V HN 0.139 nan 8.190 nan 0.000 0.446 477 V N -0.428 119.254 119.914 -0.387 0.000 2.287 477 V HA -0.292 3.827 4.120 -0.002 0.000 0.248 477 V C 2.531 178.467 176.094 -0.264 0.000 1.053 477 V CA 2.632 64.647 62.300 -0.474 0.000 1.027 477 V CB -1.062 30.390 31.823 -0.618 0.000 0.646 477 V HN 0.666 nan 8.190 nan 0.000 0.447 478 T N -0.355 114.067 114.554 -0.221 0.000 2.822 478 T HA -0.223 4.126 4.350 -0.002 0.000 0.270 478 T C 1.981 176.627 174.700 -0.091 0.000 1.064 478 T CA 1.475 63.485 62.100 -0.149 0.000 1.131 478 T CB -0.239 68.541 68.868 -0.146 0.000 0.858 478 T HN 0.488 nan 8.240 nan 0.000 0.483 479 R N 0.763 121.220 120.500 -0.071 0.000 2.062 479 R HA 0.024 4.363 4.340 -0.002 0.000 0.226 479 R C 2.403 178.718 176.300 0.025 0.000 1.125 479 R CA 1.039 57.136 56.100 -0.006 0.000 0.966 479 R CB -0.320 29.994 30.300 0.024 0.000 0.861 479 R HN 0.321 nan 8.270 nan 0.000 0.433 480 N N 1.504 120.234 118.700 0.051 0.000 2.005 480 N HA -0.197 4.541 4.740 -0.002 0.000 0.199 480 N C 1.935 177.480 175.510 0.057 0.000 1.054 480 N CA 1.371 54.477 53.050 0.094 0.000 0.864 480 N CB -0.700 37.958 38.487 0.286 0.000 1.063 480 N HN 0.103 nan 8.380 nan 0.000 0.428 481 L N 1.073 122.308 121.223 0.020 0.000 2.137 481 L HA -0.205 4.134 4.340 -0.002 0.000 0.213 481 L C 2.045 178.909 176.870 -0.009 0.000 1.085 481 L CA 0.979 55.812 54.840 -0.012 0.000 0.760 481 L CB -0.431 41.571 42.059 -0.095 0.000 0.893 481 L HN 0.307 nan 8.230 nan 0.000 0.434 482 N N -0.388 118.304 118.700 -0.014 0.000 2.166 482 N HA -0.162 4.577 4.740 -0.002 0.000 0.186 482 N C 1.941 177.455 175.510 0.007 0.000 1.019 482 N CA 0.988 54.037 53.050 -0.001 0.000 0.856 482 N CB 0.057 38.545 38.487 0.001 0.000 0.993 482 N HN 0.335 nan 8.380 nan 0.000 0.426 483 R N 0.768 121.260 120.500 -0.013 0.000 2.061 483 R HA -0.051 4.288 4.340 -0.002 0.000 0.230 483 R C 2.276 178.571 176.300 -0.009 0.000 1.140 483 R CA 0.758 56.840 56.100 -0.028 0.000 0.940 483 R CB -1.094 29.130 30.300 -0.126 0.000 0.839 483 R HN 0.051 nan 8.270 nan 0.000 0.429 484 V N 2.472 122.376 119.914 -0.017 0.000 2.285 484 V HA -0.348 3.771 4.120 -0.002 0.000 0.260 484 V C 2.432 178.541 176.094 0.025 0.000 1.089 484 V CA 2.361 64.663 62.300 0.004 0.000 1.082 484 V CB -0.794 31.043 31.823 0.023 0.000 0.681 484 V HN 0.326 nan 8.190 nan 0.000 0.452 485 I N -0.100 120.497 120.570 0.044 0.000 2.399 485 I HA -0.248 3.921 4.170 -0.002 0.000 0.254 485 I C 2.072 178.293 176.117 0.175 0.000 1.146 485 I CA 1.915 63.279 61.300 0.107 0.000 1.412 485 I CB -0.589 37.460 38.000 0.081 0.000 1.076 485 I HN 0.472 nan 8.210 nan 0.000 0.432 486 D N 0.408 120.877 120.400 0.114 0.000 2.324 486 D HA 0.025 4.664 4.640 -0.002 0.000 0.212 486 D C 1.850 178.231 176.300 0.134 0.000 0.984 486 D CA 0.507 54.581 54.000 0.123 0.000 0.885 486 D CB 0.163 41.006 40.800 0.073 0.000 0.996 486 D HN 0.307 nan 8.370 nan 0.000 0.505 487 R N 0.706 121.260 120.500 0.090 0.000 2.388 487 R HA 0.118 4.457 4.340 -0.002 0.000 0.247 487 R C 0.270 176.617 176.300 0.077 0.000 0.931 487 R CA -0.312 55.838 56.100 0.083 0.000 1.082 487 R CB 0.107 30.433 30.300 0.044 0.000 1.135 487 R HN -0.033 nan 8.270 nan 0.000 0.525 488 N N 0.491 119.218 118.700 0.045 0.000 2.508 488 N HA -0.095 4.644 4.740 -0.002 0.000 0.264 488 N C -1.222 174.236 175.510 -0.085 0.000 1.216 488 N CA -0.114 52.864 53.050 -0.118 0.000 0.943 488 N CB 0.440 38.669 38.487 -0.430 0.000 1.113 488 N HN 0.011 nan 8.380 nan 0.000 0.447 489 Y N 3.547 123.753 120.300 -0.157 0.000 2.425 489 Y HA 0.286 4.835 4.550 -0.002 0.000 0.347 489 Y C -1.171 174.661 175.900 -0.114 0.000 0.976 489 Y CA -0.629 57.440 58.100 -0.052 0.000 1.190 489 Y CB -0.174 38.282 38.460 -0.007 0.000 1.136 489 Y HN 0.467 nan 8.280 nan 0.000 0.517 490 Y N 9.107 129.067 120.300 -0.567 0.000 2.404 490 Y HA 0.216 4.765 4.550 -0.002 0.000 0.344 490 Y C -1.160 174.406 175.900 -0.557 0.000 0.995 490 Y CA -1.905 55.957 58.100 -0.397 0.000 1.201 490 Y CB 0.648 38.995 38.460 -0.189 0.000 1.151 490 Y HN 0.600 nan 8.280 nan 0.000 0.517 491 P HA -0.123 nan 4.420 nan 0.000 0.217 491 P C -0.230 176.983 177.300 -0.146 0.000 1.150 491 P CA 1.179 64.142 63.100 -0.229 0.000 0.832 491 P CB 0.260 31.800 31.700 -0.266 0.000 0.787 492 V N -3.651 116.209 119.914 -0.090 0.000 2.760 492 V HA 0.433 4.552 4.120 -0.002 0.000 0.309 492 V C 1.372 177.451 176.094 -0.025 0.000 1.077 492 V CA -0.871 61.395 62.300 -0.058 0.000 0.910 492 V CB 1.906 33.687 31.823 -0.071 0.000 1.008 492 V HN -0.145 nan 8.190 nan 0.000 0.424 493 E N 3.140 123.319 120.200 -0.035 0.000 2.097 493 E HA -0.265 4.084 4.350 -0.002 0.000 0.196 493 E C 1.387 177.955 176.600 -0.053 0.000 1.000 493 E CA 2.621 58.990 56.400 -0.051 0.000 0.804 493 E CB -0.197 29.478 29.700 -0.041 0.000 0.740 493 E HN 0.893 nan 8.360 nan 0.000 0.454 494 E N 0.847 121.031 120.200 -0.027 0.000 2.055 494 E HA -0.295 4.054 4.350 -0.002 0.000 0.209 494 E C 2.162 178.762 176.600 -0.000 0.000 1.036 494 E CA 2.102 58.493 56.400 -0.015 0.000 0.849 494 E CB -0.817 28.882 29.700 -0.001 0.000 0.767 494 E HN 0.469 nan 8.360 nan 0.000 0.461 495 A N 1.010 123.870 122.820 0.066 0.000 1.940 495 A HA -0.344 3.975 4.320 -0.002 0.000 0.221 495 A C 2.182 179.799 177.584 0.056 0.000 1.190 495 A CA 2.274 54.427 52.037 0.192 0.000 0.647 495 A CB -0.667 18.572 19.000 0.398 0.000 0.821 495 A HN 0.171 nan 8.150 nan 0.000 0.457 496 R N -0.250 120.128 120.500 -0.203 0.000 2.115 496 R HA -0.089 4.250 4.340 -0.002 0.000 0.226 496 R C 2.253 178.304 176.300 -0.414 0.000 1.100 496 R CA 1.634 57.279 56.100 -0.758 0.000 0.980 496 R CB -0.275 29.597 30.300 -0.713 0.000 0.875 496 R HN 0.644 nan 8.270 nan 0.000 0.445 497 K N 0.077 120.345 120.400 -0.220 0.000 2.025 497 K HA -0.105 4.213 4.320 -0.002 0.000 0.207 497 K C 2.072 178.556 176.600 -0.193 0.000 1.049 497 K CA 1.637 57.821 56.287 -0.172 0.000 0.933 497 K CB -0.248 32.189 32.500 -0.104 0.000 0.714 497 K HN 0.057 nan 8.250 nan 0.000 0.438 498 S N 1.121 116.741 115.700 -0.134 0.000 2.426 498 S HA -0.221 4.247 4.470 -0.002 0.000 0.220 498 S C 1.741 176.261 174.600 -0.134 0.000 1.040 498 S CA 1.981 60.110 58.200 -0.118 0.000 1.094 498 S CB -0.718 62.497 63.200 0.025 0.000 1.072 498 S HN 0.446 nan 8.310 nan 0.000 0.415 499 N N 0.424 119.113 118.700 -0.019 0.000 2.310 499 N HA -0.101 4.638 4.740 -0.002 0.000 0.193 499 N C 1.611 177.103 175.510 -0.031 0.000 1.001 499 N CA 1.587 54.655 53.050 0.030 0.000 0.890 499 N CB -0.228 38.377 38.487 0.197 0.000 0.972 499 N HN 0.446 nan 8.380 nan 0.000 0.445 500 M N -0.651 118.875 119.600 -0.125 0.000 2.429 500 M HA 0.080 4.559 4.480 -0.002 0.000 0.265 500 M C 1.563 177.817 176.300 -0.076 0.000 1.120 500 M CA 0.860 56.101 55.300 -0.098 0.000 1.173 500 M CB -0.314 32.198 32.600 -0.147 0.000 1.343 500 M HN 0.126 nan 8.290 nan 0.000 0.464 501 R N -0.778 119.612 120.500 -0.184 0.000 2.235 501 R HA -0.078 4.261 4.340 -0.002 0.000 0.213 501 R C 1.340 177.681 176.300 0.069 0.000 1.059 501 R CA 0.829 56.847 56.100 -0.137 0.000 0.997 501 R CB -0.067 30.072 30.300 -0.270 0.000 0.884 501 R HN 0.479 nan 8.270 nan 0.000 0.462 502 H N -0.204 118.905 119.070 0.066 0.000 3.091 502 H HA 0.275 4.830 4.556 -0.002 0.000 0.249 502 H C 0.218 175.412 175.328 -0.223 0.000 0.985 502 H CA -0.168 55.846 56.048 -0.058 0.000 1.177 502 H CB 0.502 30.243 29.762 -0.035 0.000 1.456 502 H HN -0.006 nan 8.280 nan 0.000 0.467 503 R N -0.442 120.066 120.500 0.012 0.000 3.416 503 R HA -0.116 4.223 4.340 -0.002 0.000 0.263 503 R C -2.504 173.750 176.300 -0.076 0.000 1.053 503 R CA 0.122 56.206 56.100 -0.026 0.000 0.705 503 R CB -2.470 27.829 30.300 -0.000 0.000 1.124 503 R HN 0.304 nan 8.270 nan 0.000 0.444 504 P HA 0.031 nan 4.420 nan 0.000 0.264 504 P C 0.319 177.589 177.300 -0.051 0.000 1.193 504 P CA 0.474 63.536 63.100 -0.063 0.000 0.763 504 P CB 0.435 32.112 31.700 -0.039 0.000 0.810 505 I N 1.953 122.492 120.570 -0.051 0.000 3.100 505 I HA 0.687 4.856 4.170 -0.002 0.000 0.312 505 I C 0.385 176.467 176.117 -0.057 0.000 1.063 505 I CA -1.606 59.661 61.300 -0.055 0.000 1.031 505 I CB 0.891 38.859 38.000 -0.054 0.000 1.243 505 I HN 0.241 nan 8.210 nan 0.000 0.483 506 A N 3.088 125.865 122.820 -0.073 0.000 3.127 506 A HA 0.586 4.905 4.320 -0.002 0.000 0.319 506 A C -0.712 176.822 177.584 -0.085 0.000 1.104 506 A CA -0.387 51.610 52.037 -0.067 0.000 0.802 506 A CB -0.173 18.788 19.000 -0.066 0.000 1.193 506 A HN 0.473 nan 8.150 nan 0.000 0.479 507 L N 1.094 122.264 121.223 -0.088 0.000 2.485 507 L HA 0.455 4.794 4.340 -0.002 0.000 0.275 507 L C 1.206 178.023 176.870 -0.088 0.000 1.207 507 L CA 1.488 56.258 54.840 -0.117 0.000 0.855 507 L CB 0.538 42.521 42.059 -0.128 0.000 1.114 507 L HN 0.632 nan 8.230 nan 0.000 0.485 508 G N 1.174 109.917 108.800 -0.095 0.000 3.175 508 G HA2 0.813 4.772 3.960 -0.002 0.000 0.255 508 G HA3 0.813 4.772 3.960 -0.002 0.000 0.255 508 G C -1.300 173.551 174.900 -0.082 0.000 1.352 508 G CA -0.187 44.876 45.100 -0.062 0.000 1.037 508 G HN 0.707 nan 8.290 nan 0.000 0.556 509 V N -2.768 117.110 119.914 -0.060 0.000 2.969 509 V HA 0.743 4.862 4.120 -0.002 0.000 0.304 509 V C -1.185 174.894 176.094 -0.025 0.000 1.192 509 V CA -1.040 61.215 62.300 -0.075 0.000 0.962 509 V CB 1.173 32.890 31.823 -0.176 0.000 1.045 509 V HN 0.839 nan 8.190 nan 0.000 0.428 510 Q N 1.682 121.482 119.800 0.001 0.000 2.387 510 Q HA 0.778 5.117 4.340 -0.002 0.000 0.273 510 Q C 0.627 176.638 176.000 0.019 0.000 1.089 510 Q CA -0.540 55.271 55.803 0.013 0.000 0.824 510 Q CB 2.079 30.831 28.738 0.023 0.000 1.367 510 Q HN 1.944 nan 8.270 nan 0.000 0.443 511 G N 0.833 109.638 108.800 0.008 0.000 2.132 511 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.228 511 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.228 511 G C 0.326 175.177 174.900 -0.081 0.000 1.000 511 G CA 0.171 45.277 45.100 0.009 0.000 0.693 511 G HN 0.592 nan 8.290 nan 0.000 0.515 512 L N -0.014 121.109 121.223 -0.166 0.000 1.955 512 L HA -0.073 4.266 4.340 -0.002 0.000 0.213 512 L C 3.229 179.716 176.870 -0.639 0.000 1.072 512 L CA 2.804 57.382 54.840 -0.437 0.000 0.755 512 L CB -0.853 40.985 42.059 -0.368 0.000 0.888 512 L HN 0.543 nan 8.230 nan 0.000 0.432 513 A N -0.323 122.301 122.820 -0.327 0.000 1.948 513 A HA -0.282 4.037 4.320 -0.002 0.000 0.220 513 A C 1.806 179.320 177.584 -0.117 0.000 1.177 513 A CA 2.175 54.129 52.037 -0.139 0.000 0.636 513 A CB -0.680 18.401 19.000 0.135 0.000 0.815 513 A HN 0.551 nan 8.150 nan 0.000 0.449 514 D N -0.623 119.716 120.400 -0.101 0.000 2.088 514 D HA -0.112 4.526 4.640 -0.002 0.000 0.196 514 D C 2.044 178.303 176.300 -0.068 0.000 0.983 514 D CA 1.985 55.917 54.000 -0.113 0.000 0.846 514 D CB -1.148 39.684 40.800 0.052 0.000 0.992 514 D HN 0.344 nan 8.370 nan 0.000 0.448 515 T N 1.581 116.136 114.554 0.002 0.000 2.635 515 T HA -0.233 4.116 4.350 -0.002 0.000 0.265 515 T C 1.795 176.618 174.700 0.205 0.000 1.058 515 T CA 1.337 63.519 62.100 0.137 0.000 1.162 515 T CB -0.510 68.442 68.868 0.140 0.000 0.859 515 T HN 0.024 nan 8.240 nan 0.000 0.449 516 F N 0.935 120.852 119.950 -0.055 0.000 2.027 516 F HA -0.145 4.381 4.527 -0.002 0.000 0.297 516 F C 2.539 178.295 175.800 -0.074 0.000 1.129 516 F CA 1.157 59.095 58.000 -0.103 0.000 1.195 516 F CB -1.393 37.474 39.000 -0.222 0.000 0.960 516 F HN 0.210 nan 8.300 nan 0.000 0.485 517 M N -0.943 118.718 119.600 0.102 0.000 2.159 517 M HA -0.214 4.265 4.480 -0.002 0.000 0.263 517 M C 2.113 178.427 176.300 0.023 0.000 1.063 517 M CA 0.957 56.260 55.300 0.005 0.000 1.110 517 M CB -0.392 32.102 32.600 -0.175 0.000 1.374 517 M HN 0.058 nan 8.290 nan 0.000 0.411 518 L N 0.123 121.356 121.223 0.018 0.000 1.994 518 L HA -0.149 4.190 4.340 -0.002 0.000 0.208 518 L C 2.067 179.012 176.870 0.125 0.000 1.071 518 L CA 1.909 56.823 54.840 0.124 0.000 0.745 518 L CB -1.465 40.689 42.059 0.158 0.000 0.892 518 L HN 0.384 nan 8.230 nan 0.000 0.431 519 L N -0.647 120.657 121.223 0.135 0.000 2.737 519 L HA -0.012 4.327 4.340 -0.002 0.000 0.246 519 L C 1.316 178.224 176.870 0.062 0.000 1.153 519 L CA 0.127 55.033 54.840 0.111 0.000 0.920 519 L CB -0.592 41.551 42.059 0.140 0.000 1.090 519 L HN 0.369 nan 8.230 nan 0.000 0.430 520 R N -0.533 120.003 120.500 0.059 0.000 4.000 520 R HA -0.199 4.140 4.340 -0.002 0.000 0.362 520 R C -0.275 176.004 176.300 -0.035 0.000 1.183 520 R CA 0.545 56.654 56.100 0.016 0.000 1.011 520 R CB -1.670 28.643 30.300 0.022 0.000 1.501 520 R HN 0.328 nan 8.270 nan 0.000 0.553 521 L N 1.408 122.608 121.223 -0.038 0.000 2.349 521 L HA 0.414 4.753 4.340 -0.002 0.000 0.275 521 L C -1.901 174.890 176.870 -0.130 0.000 1.115 521 L CA -1.948 52.824 54.840 -0.113 0.000 0.820 521 L CB 0.686 42.632 42.059 -0.189 0.000 1.135 521 L HN -0.096 nan 8.230 nan 0.000 0.445 522 P HA 0.103 nan 4.420 nan 0.000 0.277 522 P C 0.368 177.626 177.300 -0.070 0.000 1.240 522 P CA -0.494 62.574 63.100 -0.054 0.000 0.798 522 P CB 0.554 32.231 31.700 -0.038 0.000 0.979 523 F N 1.659 121.588 119.950 -0.035 0.000 2.184 523 F HA -0.259 4.267 4.527 -0.002 0.000 0.301 523 F C 1.275 177.027 175.800 -0.079 0.000 1.076 523 F CA 2.081 60.080 58.000 -0.002 0.000 1.295 523 F CB -0.456 38.607 39.000 0.105 0.000 1.026 523 F HN 0.344 nan 8.300 nan 0.000 0.494 524 D N -0.947 119.542 120.400 0.147 0.000 2.213 524 D HA -0.027 4.611 4.640 -0.002 0.000 0.205 524 D C 0.900 177.186 176.300 -0.024 0.000 0.961 524 D CA 0.888 54.934 54.000 0.077 0.000 0.853 524 D CB -0.378 40.464 40.800 0.070 0.000 0.967 524 D HN 0.163 nan 8.370 nan 0.000 0.496 525 S N 0.991 116.641 115.700 -0.082 0.000 3.332 525 S HA -0.172 4.297 4.470 -0.002 0.000 0.395 525 S C 0.564 175.097 174.600 -0.111 0.000 1.180 525 S CA -0.081 58.054 58.200 -0.109 0.000 0.985 525 S CB 0.399 63.499 63.200 -0.165 0.000 0.694 525 S HN 0.081 nan 8.310 nan 0.000 0.502 526 E N 2.022 122.183 120.200 -0.067 0.000 2.528 526 E HA 0.032 4.381 4.350 -0.002 0.000 0.237 526 E C 1.248 177.810 176.600 -0.064 0.000 1.408 526 E CA 0.360 56.728 56.400 -0.054 0.000 1.571 526 E CB -0.243 29.443 29.700 -0.024 0.000 1.395 526 E HN 0.884 nan 8.360 nan 0.000 0.438 527 E N -2.900 117.234 120.200 -0.109 0.000 2.461 527 E HA 0.095 4.444 4.350 -0.002 0.000 0.185 527 E C 1.133 177.620 176.600 -0.189 0.000 0.942 527 E CA 0.442 56.778 56.400 -0.107 0.000 1.434 527 E CB -0.399 29.255 29.700 -0.077 0.000 1.899 527 E HN 0.140 nan 8.360 nan 0.000 0.862 528 A N 1.696 124.324 122.820 -0.320 0.000 1.984 528 A HA 0.070 4.389 4.320 -0.002 0.000 0.214 528 A C 2.273 179.604 177.584 -0.421 0.000 1.173 528 A CA 0.803 52.455 52.037 -0.642 0.000 0.673 528 A CB -0.202 18.141 19.000 -1.096 0.000 0.830 528 A HN -0.005 nan 8.150 nan 0.000 0.453 529 R N 0.402 120.752 120.500 -0.249 0.000 2.103 529 R HA -0.147 4.192 4.340 -0.002 0.000 0.234 529 R C 2.056 178.290 176.300 -0.110 0.000 1.132 529 R CA 1.879 57.904 56.100 -0.126 0.000 0.925 529 R CB -1.348 28.906 30.300 -0.077 0.000 0.842 529 R HN 0.534 nan 8.270 nan 0.000 0.430 530 L N 0.566 121.724 121.223 -0.108 0.000 1.956 530 L HA -0.260 4.079 4.340 -0.002 0.000 0.216 530 L C 2.409 179.192 176.870 -0.145 0.000 1.073 530 L CA 2.151 56.920 54.840 -0.117 0.000 0.762 530 L CB -0.910 41.114 42.059 -0.058 0.000 0.889 530 L HN 0.297 nan 8.230 nan 0.000 0.433 531 L N 0.850 122.023 121.223 -0.084 0.000 2.011 531 L HA -0.361 3.978 4.340 -0.002 0.000 0.225 531 L C 2.185 179.026 176.870 -0.048 0.000 1.084 531 L CA 2.598 57.429 54.840 -0.015 0.000 0.791 531 L CB -1.419 40.663 42.059 0.038 0.000 0.898 531 L HN 0.504 nan 8.230 nan 0.000 0.440 532 N N -0.387 118.340 118.700 0.045 0.000 2.067 532 N HA -0.361 4.377 4.740 -0.002 0.000 0.190 532 N C 2.115 177.656 175.510 0.052 0.000 1.013 532 N CA 2.954 56.076 53.050 0.120 0.000 0.892 532 N CB -0.484 38.059 38.487 0.094 0.000 1.067 532 N HN 0.624 nan 8.380 nan 0.000 0.641 533 I N 0.581 121.125 120.570 -0.044 0.000 2.181 533 I HA -0.454 3.715 4.170 -0.002 0.000 0.240 533 I C 2.246 178.288 176.117 -0.125 0.000 1.006 533 I CA 2.048 63.324 61.300 -0.040 0.000 1.284 533 I CB -0.448 37.491 38.000 -0.101 0.000 0.990 533 I HN 0.493 nan 8.210 nan 0.000 0.408 534 Q N 0.686 120.263 119.800 -0.372 0.000 2.077 534 Q HA -0.213 4.126 4.340 -0.002 0.000 0.206 534 Q C 2.300 178.011 176.000 -0.482 0.000 0.989 534 Q CA 2.569 58.088 55.803 -0.474 0.000 0.853 534 Q CB -0.331 28.094 28.738 -0.522 0.000 0.907 534 Q HN 0.666 nan 8.270 nan 0.000 0.418 535 I N 0.039 120.305 120.570 -0.506 0.000 2.065 535 I HA -0.365 3.803 4.170 -0.002 0.000 0.236 535 I C 2.000 177.863 176.117 -0.424 0.000 1.028 535 I CA 1.761 62.722 61.300 -0.565 0.000 1.299 535 I CB -0.333 37.381 38.000 -0.477 0.000 1.015 535 I HN 0.168 nan 8.210 nan 0.000 0.396 536 F N 0.383 120.170 119.950 -0.272 0.000 2.069 536 F HA -0.268 4.258 4.527 -0.001 0.000 0.298 536 F C 2.640 178.290 175.800 -0.249 0.000 1.113 536 F CA 1.658 59.558 58.000 -0.167 0.000 1.214 536 F CB -0.717 38.269 39.000 -0.023 0.000 0.978 536 F HN 0.135 nan 8.300 nan 0.000 0.474 537 E N 0.187 120.137 120.200 -0.418 0.000 2.132 537 E HA -0.389 3.960 4.350 -0.002 0.000 0.218 537 E C 2.299 178.853 176.600 -0.076 0.000 1.058 537 E CA 2.695 58.724 56.400 -0.618 0.000 0.882 537 E CB -0.521 28.913 29.700 -0.443 0.000 0.774 537 E HN 0.436 nan 8.360 nan 0.000 0.467 538 T N -0.400 114.038 114.554 -0.192 0.000 2.821 538 T HA -0.110 4.239 4.350 -0.002 0.000 0.267 538 T C 2.082 176.561 174.700 -0.369 0.000 1.046 538 T CA 1.464 63.328 62.100 -0.393 0.000 1.139 538 T CB -0.296 68.448 68.868 -0.206 0.000 0.871 538 T HN 0.203 nan 8.240 nan 0.000 0.454 539 I N -0.518 119.886 120.570 -0.277 0.000 2.133 539 I HA -0.043 4.126 4.170 -0.002 0.000 0.238 539 I C 2.385 178.447 176.117 -0.091 0.000 1.074 539 I CA 1.584 62.730 61.300 -0.257 0.000 1.342 539 I CB -0.732 37.093 38.000 -0.291 0.000 1.053 539 I HN 0.197 nan 8.210 nan 0.000 0.404 540 Y N 1.663 121.939 120.300 -0.040 0.000 2.139 540 Y HA -0.381 4.168 4.550 -0.002 0.000 0.282 540 Y C 2.806 178.796 175.900 0.150 0.000 1.179 540 Y CA 2.061 60.236 58.100 0.125 0.000 1.161 540 Y CB -1.055 37.598 38.460 0.323 0.000 0.970 540 Y HN 0.251 nan 8.280 nan 0.000 0.511 541 H N -0.538 118.515 119.070 -0.028 0.000 2.319 541 H HA -0.168 4.387 4.556 -0.002 0.000 0.299 541 H C 2.122 177.186 175.328 -0.440 0.000 1.092 541 H CA 1.429 57.290 56.048 -0.311 0.000 1.302 541 H CB -0.066 29.206 29.762 -0.816 0.000 1.373 541 H HN 0.444 nan 8.280 nan 0.000 0.497 542 A N 0.573 122.914 122.820 -0.798 0.000 1.855 542 A HA -0.161 4.157 4.320 -0.002 0.000 0.215 542 A C 2.732 179.950 177.584 -0.610 0.000 1.191 542 A CA 1.922 53.281 52.037 -1.130 0.000 0.613 542 A CB -0.850 17.384 19.000 -1.278 0.000 0.829 542 A HN 0.571 nan 8.150 nan 0.000 0.442 543 S N -0.137 115.336 115.700 -0.380 0.000 2.383 543 S HA -0.203 4.266 4.470 -0.002 0.000 0.229 543 S C 1.963 176.461 174.600 -0.170 0.000 1.030 543 S CA 1.695 59.768 58.200 -0.212 0.000 1.002 543 S CB -0.412 62.742 63.200 -0.077 0.000 0.829 543 S HN 0.414 nan 8.310 nan 0.000 0.467 544 M N 1.489 120.969 119.600 -0.201 0.000 2.080 544 M HA -0.088 4.391 4.480 -0.002 0.000 0.260 544 M C 2.363 178.572 176.300 -0.152 0.000 1.068 544 M CA 1.571 56.774 55.300 -0.161 0.000 1.109 544 M CB -1.138 31.303 32.600 -0.265 0.000 1.342 544 M HN 0.511 nan 8.290 nan 0.000 0.405 545 E N -0.338 119.696 120.200 -0.277 0.000 2.028 545 E HA -0.123 4.226 4.350 -0.002 0.000 0.190 545 E C 1.967 178.472 176.600 -0.159 0.000 0.984 545 E CA 1.197 57.459 56.400 -0.229 0.000 0.800 545 E CB 0.012 29.496 29.700 -0.359 0.000 0.758 545 E HN 0.388 nan 8.360 nan 0.000 0.448 546 A N 0.831 123.528 122.820 -0.205 0.000 1.873 546 A HA -0.260 4.059 4.320 -0.002 0.000 0.218 546 A C 2.417 179.946 177.584 -0.091 0.000 1.193 546 A CA 2.235 54.184 52.037 -0.147 0.000 0.629 546 A CB -1.192 17.703 19.000 -0.175 0.000 0.826 546 A HN 0.381 nan 8.150 nan 0.000 0.447 547 S N -1.502 114.153 115.700 -0.076 0.000 2.400 547 S HA -0.216 4.253 4.470 -0.002 0.000 0.232 547 S C 1.999 176.594 174.600 -0.008 0.000 1.025 547 S CA 1.547 59.733 58.200 -0.023 0.000 0.993 547 S CB -1.039 62.170 63.200 0.015 0.000 0.808 547 S HN 0.760 nan 8.310 nan 0.000 0.478 548 C N 1.607 120.900 119.300 -0.012 0.000 2.581 548 C HA -0.088 4.371 4.460 -0.002 0.000 0.287 548 C C 2.401 177.376 174.990 -0.025 0.000 1.241 548 C CA 1.819 60.844 59.018 0.011 0.000 1.747 548 C CB -1.684 26.084 27.740 0.046 0.000 2.090 548 C HN 0.772 nan 8.230 nan 0.000 0.460 549 E N 0.887 121.060 120.200 -0.045 0.000 2.136 549 E HA -0.307 4.042 4.350 -0.002 0.000 0.208 549 E C 1.906 178.454 176.600 -0.086 0.000 1.035 549 E CA 2.280 58.630 56.400 -0.084 0.000 0.838 549 E CB -0.472 29.186 29.700 -0.069 0.000 0.748 549 E HN 0.737 nan 8.360 nan 0.000 0.459 550 L N 0.181 121.371 121.223 -0.056 0.000 2.109 550 L HA -0.029 4.310 4.340 -0.002 0.000 0.207 550 L C 2.619 179.461 176.870 -0.047 0.000 1.086 550 L CA 0.876 55.690 54.840 -0.042 0.000 0.760 550 L CB -0.602 41.445 42.059 -0.021 0.000 0.910 550 L HN 0.126 nan 8.230 nan 0.000 0.437 551 A N 0.100 122.892 122.820 -0.047 0.000 1.972 551 A HA -0.212 4.107 4.320 -0.002 0.000 0.219 551 A C 2.308 179.834 177.584 -0.096 0.000 1.169 551 A CA 1.419 53.414 52.037 -0.070 0.000 0.635 551 A CB -0.401 18.546 19.000 -0.088 0.000 0.810 551 A HN 0.523 nan 8.150 nan 0.000 0.446 552 Q N -0.156 119.564 119.800 -0.132 0.000 2.020 552 Q HA -0.194 4.145 4.340 -0.002 0.000 0.202 552 Q C 2.080 177.967 176.000 -0.188 0.000 0.982 552 Q CA 1.849 57.481 55.803 -0.286 0.000 0.838 552 Q CB -0.255 28.170 28.738 -0.522 0.000 0.899 552 Q HN 0.655 nan 8.270 nan 0.000 0.423 553 K N 0.362 120.687 120.400 -0.126 0.000 2.001 553 K HA -0.111 4.208 4.320 -0.002 0.000 0.208 553 K C 1.543 178.109 176.600 -0.056 0.000 1.048 553 K CA 1.323 57.562 56.287 -0.080 0.000 0.932 553 K CB 0.108 32.575 32.500 -0.056 0.000 0.715 553 K HN 0.121 nan 8.250 nan 0.000 0.437 554 D N -0.898 119.474 120.400 -0.047 0.000 2.389 554 D HA 0.114 4.753 4.640 -0.002 0.000 0.206 554 D C 0.373 176.655 176.300 -0.031 0.000 1.055 554 D CA 0.663 54.646 54.000 -0.028 0.000 0.856 554 D CB 1.077 41.870 40.800 -0.012 0.000 0.957 554 D HN 0.307 nan 8.370 nan 0.000 0.509 555 G N 1.883 110.652 108.800 -0.053 0.000 2.570 555 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.686 555 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.686 555 G C -2.921 171.917 174.900 -0.103 0.000 1.257 555 G CA -1.003 44.055 45.100 -0.070 0.000 0.846 555 G HN -0.162 nan 8.290 nan 0.000 0.627 556 P HA 0.350 nan 4.420 nan 0.000 0.272 556 P C 0.160 177.367 177.300 -0.155 0.000 1.223 556 P CA -0.154 62.733 63.100 -0.356 0.000 0.784 556 P CB 0.220 31.502 31.700 -0.696 0.000 0.923 557 Y N -0.779 119.489 120.300 -0.053 0.000 2.652 557 Y HA -0.001 4.548 4.550 -0.002 0.000 0.344 557 Y C 1.625 177.585 175.900 0.099 0.000 1.254 557 Y CA -0.056 58.072 58.100 0.048 0.000 1.480 557 Y CB -0.272 38.248 38.460 0.100 0.000 1.345 557 Y HN 0.449 nan 8.280 nan 0.000 0.617 558 E N 0.591 120.948 120.200 0.261 0.000 2.463 558 E HA -0.168 4.181 4.350 -0.002 0.000 0.201 558 E C 0.357 177.051 176.600 0.156 0.000 1.045 558 E CA 1.397 57.886 56.400 0.149 0.000 0.872 558 E CB 0.080 29.859 29.700 0.132 0.000 0.797 558 E HN 0.833 nan 8.360 nan 0.000 0.538 559 T N -0.832 113.860 114.554 0.231 0.000 3.604 559 T HA 0.077 4.426 4.350 -0.002 0.000 0.305 559 T C 0.172 174.948 174.700 0.127 0.000 0.978 559 T CA -0.502 61.747 62.100 0.248 0.000 0.999 559 T CB -0.470 68.670 68.868 0.455 0.000 1.204 559 T HN 0.170 nan 8.240 nan 0.000 0.476 560 F N 1.752 121.433 119.950 -0.450 0.000 2.270 560 F HA 0.463 4.989 4.527 -0.002 0.000 0.295 560 F C 0.954 176.618 175.800 -0.227 0.000 1.087 560 F CA 0.143 57.725 58.000 -0.695 0.000 1.365 560 F CB -0.086 38.214 39.000 -1.167 0.000 1.056 560 F HN 0.131 nan 8.300 nan 0.000 0.506 561 Q N 0.942 120.653 119.800 -0.148 0.000 2.326 561 Q HA 0.155 4.493 4.340 -0.002 0.000 0.314 561 Q C 1.341 177.216 176.000 -0.208 0.000 1.091 561 Q CA 1.349 57.035 55.803 -0.195 0.000 0.974 561 Q CB 0.076 28.801 28.738 -0.022 0.000 1.220 561 Q HN 0.760 nan 8.270 nan 0.000 0.398 562 G N 1.712 110.384 108.800 -0.213 0.000 2.234 562 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.260 562 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.260 562 G C 0.331 175.122 174.900 -0.183 0.000 0.987 562 G CA 0.415 45.425 45.100 -0.150 0.000 0.625 562 G HN 0.659 nan 8.290 nan 0.000 0.532 563 S N 1.474 116.994 115.700 -0.300 0.000 2.549 563 S HA 0.402 4.871 4.470 -0.002 0.000 0.286 563 S C 0.046 174.523 174.600 -0.206 0.000 1.314 563 S CA -0.086 57.963 58.200 -0.251 0.000 1.062 563 S CB 1.025 63.999 63.200 -0.376 0.000 0.865 563 S HN 0.075 nan 8.310 nan 0.000 0.498 564 P HA -0.207 nan 4.420 nan 0.000 0.220 564 P C 1.171 178.421 177.300 -0.083 0.000 1.155 564 P CA 2.162 65.212 63.100 -0.083 0.000 0.880 564 P CB -0.033 31.635 31.700 -0.053 0.000 0.790 565 A N -0.495 122.279 122.820 -0.076 0.000 1.970 565 A HA -0.105 4.214 4.320 -0.002 0.000 0.216 565 A C 2.264 179.766 177.584 -0.138 0.000 1.170 565 A CA 1.663 53.687 52.037 -0.022 0.000 0.645 565 A CB -1.471 17.607 19.000 0.130 0.000 0.816 565 A HN 0.324 nan 8.150 nan 0.000 0.447 566 S N -0.761 114.638 115.700 -0.502 0.000 2.537 566 S HA -0.138 4.331 4.470 -0.002 0.000 0.240 566 S C 1.163 175.626 174.600 -0.229 0.000 0.981 566 S CA 1.383 59.170 58.200 -0.688 0.000 0.948 566 S CB -0.307 62.281 63.200 -1.020 0.000 0.759 566 S HN 0.669 nan 8.310 nan 0.000 0.531 567 Q N -0.262 119.452 119.800 -0.143 0.000 2.135 567 Q HA 0.402 4.741 4.340 -0.002 0.000 0.222 567 Q C 0.968 176.956 176.000 -0.020 0.000 0.808 567 Q CA 0.104 55.869 55.803 -0.064 0.000 1.049 567 Q CB 0.855 29.551 28.738 -0.069 0.000 1.168 567 Q HN 0.616 nan 8.270 nan 0.000 0.483 568 G N 1.307 110.109 108.800 0.003 0.000 2.168 568 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.263 568 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.263 568 G C 0.051 174.959 174.900 0.014 0.000 0.977 568 G CA 0.126 45.248 45.100 0.036 0.000 0.659 568 G HN 0.333 nan 8.290 nan 0.000 0.533 569 I N 1.198 121.757 120.570 -0.019 0.000 2.371 569 I HA 0.522 4.691 4.170 -0.002 0.000 0.290 569 I C 0.898 176.968 176.117 -0.079 0.000 1.028 569 I CA -0.476 60.794 61.300 -0.050 0.000 1.345 569 I CB 0.927 38.897 38.000 -0.051 0.000 1.407 569 I HN 0.022 nan 8.210 nan 0.000 0.501 570 L N 4.084 125.189 121.223 -0.196 0.000 2.260 570 L HA 0.407 4.746 4.340 -0.002 0.000 0.265 570 L C 1.166 177.836 176.870 -0.333 0.000 1.015 570 L CA -0.903 53.785 54.840 -0.253 0.000 0.826 570 L CB 0.791 42.579 42.059 -0.452 0.000 1.373 570 L HN 0.429 nan 8.230 nan 0.000 0.450 571 Q N 0.968 120.661 119.800 -0.178 0.000 1.998 571 Q HA -0.235 4.104 4.340 -0.002 0.000 0.209 571 Q C 1.748 177.751 176.000 0.004 0.000 1.002 571 Q CA 2.637 58.383 55.803 -0.094 0.000 0.858 571 Q CB -0.508 28.109 28.738 -0.201 0.000 0.932 571 Q HN 0.588 nan 8.270 nan 0.000 0.416 572 F N -0.676 119.331 119.950 0.095 0.000 2.171 572 F HA -0.028 4.498 4.527 -0.002 0.000 0.300 572 F C 1.610 177.463 175.800 0.088 0.000 1.090 572 F CA 1.102 59.095 58.000 -0.012 0.000 1.293 572 F CB -0.864 37.961 39.000 -0.292 0.000 1.013 572 F HN 0.013 nan 8.300 nan 0.000 0.486 573 D N 0.971 121.227 120.400 -0.240 0.000 2.265 573 D HA -0.149 4.490 4.640 -0.002 0.000 0.208 573 D C 2.107 178.401 176.300 -0.010 0.000 0.977 573 D CA 1.489 55.460 54.000 -0.047 0.000 0.871 573 D CB -0.257 40.446 40.800 -0.162 0.000 0.925 573 D HN 0.451 nan 8.370 nan 0.000 0.485 574 M N -1.498 118.086 119.600 -0.025 0.000 2.466 574 M HA 0.039 4.518 4.480 -0.002 0.000 0.265 574 M C 0.805 177.048 176.300 -0.094 0.000 1.122 574 M CA 0.140 55.398 55.300 -0.070 0.000 1.157 574 M CB -0.006 32.519 32.600 -0.125 0.000 1.352 574 M HN -0.088 nan 8.290 nan 0.000 0.464 575 W N 1.799 123.042 121.300 -0.096 0.000 1.645 575 W HA -0.070 4.588 4.660 -0.002 0.000 0.351 575 W C 0.695 177.180 176.519 -0.056 0.000 1.568 575 W CA 0.333 57.627 57.345 -0.085 0.000 1.739 575 W CB 0.026 29.429 29.460 -0.095 0.000 1.441 575 W HN -0.003 nan 8.180 nan 0.000 0.759 576 D N 0.364 120.899 120.400 0.226 0.000 2.755 576 D HA 0.113 4.752 4.640 -0.002 0.000 0.257 576 D C -0.262 176.101 176.300 0.105 0.000 1.291 576 D CA 0.167 54.237 54.000 0.118 0.000 0.836 576 D CB 0.146 40.978 40.800 0.053 0.000 1.059 576 D HN 0.309 nan 8.370 nan 0.000 0.486 577 Q N -0.211 119.674 119.800 0.141 0.000 2.385 577 Q HA 0.512 4.850 4.340 -0.002 0.000 0.262 577 Q C -0.357 175.699 176.000 0.093 0.000 1.050 577 Q CA -0.936 54.910 55.803 0.072 0.000 0.903 577 Q CB 1.818 30.544 28.738 -0.020 0.000 1.325 577 Q HN -0.249 nan 8.270 nan 0.000 0.485 578 K N 1.492 121.880 120.400 -0.020 0.000 2.138 578 K HA 0.381 4.700 4.320 -0.002 0.000 0.263 578 K C -2.449 173.959 176.600 -0.320 0.000 0.965 578 K CA -1.953 54.277 56.287 -0.094 0.000 0.868 578 K CB 0.816 33.286 32.500 -0.049 0.000 1.083 578 K HN 0.273 nan 8.250 nan 0.000 0.443 579 P HA -0.145 nan 4.420 nan 0.000 0.267 579 P C -0.214 177.014 177.300 -0.120 0.000 1.195 579 P CA 0.280 62.946 63.100 -0.724 0.000 0.773 579 P CB 0.276 31.515 31.700 -0.769 0.000 0.837 580 Y N 1.505 121.801 120.300 -0.008 0.000 2.619 580 Y HA 0.088 4.637 4.550 -0.002 0.000 0.308 580 Y C 1.729 177.675 175.900 0.077 0.000 1.192 580 Y CA 0.930 59.062 58.100 0.054 0.000 1.319 580 Y CB -0.824 37.701 38.460 0.109 0.000 1.030 580 Y HN 0.678 nan 8.280 nan 0.000 0.517 581 G N 1.412 110.268 108.800 0.094 0.000 2.200 581 G HA2 -0.475 3.483 3.960 -0.002 0.000 0.268 581 G HA3 -0.475 3.483 3.960 -0.002 0.000 0.268 581 G C 1.186 176.076 174.900 -0.017 0.000 0.986 581 G CA 0.747 45.884 45.100 0.062 0.000 0.677 581 G HN 0.631 nan 8.290 nan 0.000 0.532 582 M N -1.428 118.203 119.600 0.052 0.000 2.539 582 M HA 0.213 4.692 4.480 -0.002 0.000 0.261 582 M C 0.416 176.432 176.300 -0.472 0.000 1.069 582 M CA 1.038 56.281 55.300 -0.095 0.000 1.081 582 M CB -0.076 32.645 32.600 0.201 0.000 1.412 582 M HN 0.322 nan 8.290 nan 0.000 0.482 583 W N -0.319 120.780 121.300 -0.335 0.000 2.962 583 W HA 0.323 4.982 4.660 -0.002 0.000 0.341 583 W C -0.742 175.346 176.519 -0.719 0.000 1.155 583 W CA -0.864 56.009 57.345 -0.787 0.000 1.165 583 W CB 0.529 28.992 29.460 -1.661 0.000 1.435 583 W HN -0.135 nan 8.180 nan 0.000 0.546 584 D N 1.268 121.448 120.400 -0.366 0.000 2.374 584 D HA 0.008 4.647 4.640 -0.002 0.000 0.240 584 D C 0.442 176.662 176.300 -0.133 0.000 1.229 584 D CA 0.077 53.988 54.000 -0.148 0.000 0.895 584 D CB 0.507 41.276 40.800 -0.051 0.000 1.046 584 D HN 0.395 nan 8.370 nan 0.000 0.498 585 W N 2.670 124.006 121.300 0.061 0.000 2.658 585 W HA -0.065 4.594 4.660 -0.001 0.000 0.263 585 W C 1.062 177.676 176.519 0.158 0.000 1.274 585 W CA -0.016 57.425 57.345 0.161 0.000 1.343 585 W CB 0.208 29.807 29.460 0.231 0.000 1.106 585 W HN 0.461 nan 8.180 nan 0.000 0.615 586 D N -0.261 120.310 120.400 0.286 0.000 2.078 586 D HA -0.179 4.460 4.640 -0.002 0.000 0.193 586 D C 2.243 178.636 176.300 0.156 0.000 0.990 586 D CA 2.899 57.019 54.000 0.200 0.000 0.827 586 D CB -1.040 39.841 40.800 0.136 0.000 0.975 586 D HN 0.077 nan 8.370 nan 0.000 0.451 587 T N -0.088 114.538 114.554 0.119 0.000 2.685 587 T HA -0.216 4.133 4.350 -0.002 0.000 0.268 587 T C 2.055 176.823 174.700 0.114 0.000 1.034 587 T CA 0.951 63.108 62.100 0.096 0.000 1.149 587 T CB -0.633 68.282 68.868 0.078 0.000 0.860 587 T HN -0.016 nan 8.240 nan 0.000 0.449 588 L N 1.289 122.604 121.223 0.153 0.000 1.937 588 L HA 0.133 4.471 4.340 -0.002 0.000 0.213 588 L C 2.962 179.939 176.870 0.179 0.000 1.077 588 L CA 1.840 56.780 54.840 0.167 0.000 0.758 588 L CB -0.875 41.313 42.059 0.216 0.000 0.888 588 L HN 0.173 nan 8.230 nan 0.000 0.433 589 R N -0.618 120.033 120.500 0.251 0.000 2.244 589 R HA -0.293 4.045 4.340 -0.002 0.000 0.252 589 R C 2.214 178.594 176.300 0.133 0.000 1.177 589 R CA 1.883 58.108 56.100 0.210 0.000 1.004 589 R CB -0.126 30.317 30.300 0.238 0.000 0.873 589 R HN 0.306 nan 8.270 nan 0.000 0.469 590 K N 0.488 120.954 120.400 0.111 0.000 2.007 590 K HA -0.107 4.211 4.320 -0.002 0.000 0.206 590 K C 1.388 177.994 176.600 0.010 0.000 1.047 590 K CA 2.063 58.385 56.287 0.059 0.000 0.937 590 K CB -0.120 32.412 32.500 0.055 0.000 0.718 590 K HN 0.059 nan 8.250 nan 0.000 0.438 591 D N 0.555 120.961 120.400 0.009 0.000 2.123 591 D HA -0.061 4.578 4.640 -0.002 0.000 0.200 591 D C 2.013 178.272 176.300 -0.067 0.000 0.976 591 D CA 1.133 55.085 54.000 -0.080 0.000 0.831 591 D CB -0.061 40.768 40.800 0.047 0.000 0.974 591 D HN 0.241 nan 8.370 nan 0.000 0.469 592 I N 0.782 121.387 120.570 0.057 0.000 2.185 592 I HA -0.302 3.867 4.170 -0.002 0.000 0.246 592 I C 2.387 178.593 176.117 0.148 0.000 1.088 592 I CA 1.121 62.492 61.300 0.118 0.000 1.347 592 I CB -0.349 37.752 38.000 0.169 0.000 1.041 592 I HN 0.042 nan 8.210 nan 0.000 0.415 593 M N -0.318 119.344 119.600 0.104 0.000 2.254 593 M HA -0.142 4.336 4.480 -0.002 0.000 0.265 593 M C 2.314 178.639 176.300 0.043 0.000 1.066 593 M CA 1.254 56.627 55.300 0.121 0.000 1.123 593 M CB -0.275 32.367 32.600 0.069 0.000 1.388 593 M HN 0.090 nan 8.290 nan 0.000 0.425 594 K N -0.071 120.269 120.400 -0.099 0.000 2.116 594 K HA -0.086 4.233 4.320 -0.002 0.000 0.203 594 K C 1.098 177.532 176.600 -0.277 0.000 1.052 594 K CA 1.475 57.614 56.287 -0.246 0.000 0.952 594 K CB 0.105 32.347 32.500 -0.430 0.000 0.729 594 K HN 0.491 nan 8.250 nan 0.000 0.446 595 H N -1.740 117.312 119.070 -0.030 0.000 2.855 595 H HA 0.233 4.788 4.556 -0.002 0.000 0.259 595 H C 0.806 175.981 175.328 -0.256 0.000 0.972 595 H CA -0.034 55.953 56.048 -0.102 0.000 1.213 595 H CB 0.981 30.698 29.762 -0.074 0.000 1.451 595 H HN 0.379 nan 8.280 nan 0.000 0.484 596 G N 0.822 109.481 108.800 -0.236 0.000 2.698 596 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.225 596 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.225 596 G C -0.635 174.071 174.900 -0.323 0.000 1.345 596 G CA -0.428 44.180 45.100 -0.820 0.000 0.871 596 G HN 0.620 nan 8.290 nan 0.000 0.540 597 V N -3.429 116.294 119.914 -0.318 0.000 3.040 597 V HA 0.840 4.959 4.120 -0.002 0.000 0.312 597 V C 1.222 177.396 176.094 0.134 0.000 1.115 597 V CA -0.769 61.549 62.300 0.029 0.000 0.998 597 V CB 1.877 33.823 31.823 0.206 0.000 1.042 597 V HN 0.884 nan 8.190 nan 0.000 0.433 598 R N 0.992 121.566 120.500 0.124 0.000 2.276 598 R HA 0.187 4.526 4.340 -0.002 0.000 0.203 598 R C -0.506 175.910 176.300 0.193 0.000 1.017 598 R CA 0.551 56.735 56.100 0.139 0.000 1.010 598 R CB -0.367 29.966 30.300 0.055 0.000 0.900 598 R HN 0.951 nan 8.270 nan 0.000 0.469 599 N N -2.094 116.722 118.700 0.193 0.000 2.371 599 N HA 0.022 4.761 4.740 -0.002 0.000 0.280 599 N C 0.145 175.502 175.510 -0.256 0.000 1.084 599 N CA -0.290 52.712 53.050 -0.081 0.000 0.892 599 N CB 1.804 40.266 38.487 -0.043 0.000 1.653 599 N HN -0.240 nan 8.380 nan 0.000 0.480 600 S N 0.274 115.491 115.700 -0.804 0.000 2.423 600 S HA 0.080 4.549 4.470 -0.002 0.000 0.231 600 S C 0.370 174.891 174.600 -0.131 0.000 1.014 600 S CA 0.773 58.617 58.200 -0.593 0.000 0.965 600 S CB -0.149 62.634 63.200 -0.695 0.000 0.785 600 S HN 0.421 nan 8.310 nan 0.000 0.495 601 L N 0.136 121.296 121.223 -0.105 0.000 2.376 601 L HA 0.542 4.881 4.340 -0.002 0.000 0.258 601 L C 0.956 177.834 176.870 0.014 0.000 1.013 601 L CA 0.200 55.032 54.840 -0.013 0.000 0.822 601 L CB 2.303 44.343 42.059 -0.032 0.000 1.388 601 L HN 0.241 nan 8.230 nan 0.000 0.413 602 T N -3.193 111.396 114.554 0.057 0.000 3.176 602 T HA 0.372 4.721 4.350 -0.002 0.000 0.259 602 T C 0.194 174.909 174.700 0.024 0.000 0.978 602 T CA -0.082 62.051 62.100 0.056 0.000 1.050 602 T CB 0.269 69.218 68.868 0.136 0.000 1.136 602 T HN 0.368 nan 8.240 nan 0.000 0.465 603 M N 0.958 120.577 119.600 0.031 0.000 2.464 603 M HA 0.874 5.353 4.480 -0.002 0.000 0.308 603 M C -1.439 174.871 176.300 0.017 0.000 1.127 603 M CA -1.338 53.972 55.300 0.016 0.000 0.913 603 M CB 2.451 35.076 32.600 0.041 0.000 1.689 603 M HN 0.101 nan 8.290 nan 0.000 0.445 604 A N 2.764 125.590 122.820 0.011 0.000 3.370 604 A HA 0.588 4.907 4.320 -0.002 0.000 0.295 604 A C -2.554 175.051 177.584 0.035 0.000 1.030 604 A CA -1.215 50.837 52.037 0.025 0.000 0.883 604 A CB 0.002 18.998 19.000 -0.006 0.000 1.191 604 A HN 0.631 nan 8.150 nan 0.000 0.507 605 P HA -0.194 nan 4.420 nan 0.000 0.217 605 P C 0.916 178.240 177.300 0.041 0.000 0.876 605 P CA 1.402 64.538 63.100 0.060 0.000 1.034 605 P CB 0.091 31.830 31.700 0.065 0.000 0.655 606 M N -1.225 118.413 119.600 0.064 0.000 3.007 606 M HA 0.208 4.687 4.480 -0.002 0.000 0.288 606 M C -1.991 174.333 176.300 0.041 0.000 1.246 606 M CA -0.669 54.666 55.300 0.058 0.000 1.040 606 M CB -0.004 32.648 32.600 0.086 0.000 1.254 606 M HN 0.017 nan 8.290 nan 0.000 0.517 607 P HA 0.287 nan 4.420 nan 0.000 0.195 607 P C -0.822 176.462 177.300 -0.027 0.000 1.882 607 P CA 0.057 63.136 63.100 -0.036 0.000 1.111 607 P CB 0.120 31.758 31.700 -0.104 0.000 1.795 608 T N -2.966 111.585 114.554 -0.006 0.000 2.843 608 T HA 0.819 5.168 4.350 -0.002 0.000 0.302 608 T C 0.004 174.707 174.700 0.004 0.000 1.232 608 T CA -0.161 61.937 62.100 -0.003 0.000 1.009 608 T CB 1.926 70.790 68.868 -0.006 0.000 1.254 608 T HN -0.009 nan 8.240 nan 0.000 0.504 609 A N 1.016 123.836 122.820 0.000 0.000 1.621 609 A HA 0.547 4.866 4.320 -0.002 0.000 0.212 609 A C 0.756 178.323 177.584 -0.029 0.000 1.760 609 A CA 0.418 52.452 52.037 -0.005 0.000 1.251 609 A CB -0.304 18.698 19.000 0.003 0.000 1.168 609 A HN 1.620 nan 8.150 nan 0.000 0.463 610 S N 0.895 116.581 115.700 -0.023 0.000 2.567 610 S HA 0.584 5.053 4.470 -0.002 0.000 0.262 610 S C -0.313 174.267 174.600 -0.033 0.000 1.237 610 S CA 0.349 58.521 58.200 -0.047 0.000 1.093 610 S CB 0.264 63.462 63.200 -0.004 0.000 1.095 610 S HN 1.058 nan 8.310 nan 0.000 0.489 643 P HA 0.284 nan 4.420 nan 0.000 0.262 643 P C 0.024 177.184 177.300 -0.232 0.000 1.304 643 P CA 0.396 63.453 63.100 -0.072 0.000 0.859 643 P CB 0.201 31.839 31.700 -0.103 0.000 1.310 644 Y N -0.817 119.394 120.300 -0.148 0.000 2.500 644 Y HA 0.059 4.608 4.550 -0.002 0.000 0.284 644 Y C 2.261 177.895 175.900 -0.444 0.000 1.118 644 Y CA 0.057 58.004 58.100 -0.255 0.000 1.241 644 Y CB -0.174 38.112 38.460 -0.290 0.000 1.171 644 Y HN -0.273 nan 8.280 nan 0.000 0.540 645 L N -0.106 120.802 121.223 -0.525 0.000 1.978 645 L HA -0.312 4.026 4.340 -0.002 0.000 0.218 645 L C 2.474 179.380 176.870 0.061 0.000 1.075 645 L CA 1.726 56.425 54.840 -0.236 0.000 0.767 645 L CB -1.635 40.356 42.059 -0.113 0.000 0.890 645 L HN 0.367 nan 8.230 nan 0.000 0.434 646 L N 0.356 121.637 121.223 0.096 0.000 2.113 646 L HA -0.351 3.987 4.340 -0.002 0.000 0.237 646 L C 2.819 179.861 176.870 0.286 0.000 1.113 646 L CA 2.630 57.607 54.840 0.228 0.000 0.837 646 L CB -0.797 41.298 42.059 0.061 0.000 0.929 646 L HN 0.213 nan 8.230 nan 0.000 0.449 647 R N 0.067 120.656 120.500 0.149 0.000 2.096 647 R HA -0.180 4.158 4.340 -0.002 0.000 0.229 647 R C 2.097 178.549 176.300 0.254 0.000 1.134 647 R CA 2.261 58.461 56.100 0.167 0.000 0.917 647 R CB -1.337 29.037 30.300 0.124 0.000 0.832 647 R HN 0.617 nan 8.270 nan 0.000 0.430 648 D N 0.206 120.757 120.400 0.250 0.000 2.190 648 D HA -0.148 4.490 4.640 -0.002 0.000 0.200 648 D C 1.815 178.231 176.300 0.193 0.000 0.992 648 D CA 1.397 55.541 54.000 0.240 0.000 0.854 648 D CB -0.169 40.821 40.800 0.317 0.000 0.936 648 D HN 0.328 nan 8.370 nan 0.000 0.462 649 L N -0.072 121.257 121.223 0.177 0.000 2.450 649 L HA -0.108 4.231 4.340 -0.002 0.000 0.224 649 L C 2.273 179.160 176.870 0.028 0.000 1.149 649 L CA 0.170 54.948 54.840 -0.104 0.000 0.816 649 L CB -0.450 41.182 42.059 -0.712 0.000 0.932 649 L HN -0.048 nan 8.230 nan 0.000 0.449 650 V N 0.589 120.779 119.914 0.461 0.000 2.229 650 V HA -0.317 3.802 4.120 -0.002 0.000 0.243 650 V C 2.273 178.491 176.094 0.206 0.000 1.042 650 V CA 2.282 64.854 62.300 0.454 0.000 1.000 650 V CB -0.529 31.500 31.823 0.343 0.000 0.637 650 V HN 0.494 nan 8.190 nan 0.000 0.446 651 D N 0.211 120.700 120.400 0.149 0.000 2.158 651 D HA -0.197 4.442 4.640 -0.002 0.000 0.197 651 D C 1.836 178.173 176.300 0.063 0.000 0.995 651 D CA 2.050 56.106 54.000 0.094 0.000 0.846 651 D CB -0.090 40.760 40.800 0.083 0.000 0.941 651 D HN 0.524 nan 8.370 nan 0.000 0.456 652 L N -2.110 119.140 121.223 0.045 0.000 2.051 652 L HA 0.469 4.808 4.340 -0.002 0.000 0.202 652 L C 1.467 178.340 176.870 0.006 0.000 1.097 652 L CA 0.713 55.561 54.840 0.013 0.000 0.762 652 L CB -1.013 41.040 42.059 -0.010 0.000 0.913 652 L HN 0.145 nan 8.230 nan 0.000 0.447 653 G N -1.597 107.186 108.800 -0.029 0.000 2.324 653 G HA2 0.433 4.392 3.960 -0.002 0.000 0.293 653 G HA3 0.433 4.392 3.960 -0.002 0.000 0.293 653 G C -1.196 173.610 174.900 -0.157 0.000 1.297 653 G CA -0.326 44.755 45.100 -0.032 0.000 0.853 653 G HN 0.355 nan 8.290 nan 0.000 0.535 654 I N -1.827 118.682 120.570 -0.101 0.000 8.817 654 I HA -0.063 4.106 4.170 -0.002 0.000 0.164 654 I C -0.475 175.534 176.117 -0.180 0.000 1.863 654 I CA 0.775 61.983 61.300 -0.154 0.000 2.037 654 I CB -0.256 37.594 38.000 -0.249 0.000 3.902 654 I HN 1.099 nan 8.210 nan 0.000 0.169 655 W N 3.462 124.775 121.300 0.021 0.000 3.131 655 W HA 0.135 4.794 4.660 -0.002 0.000 0.346 655 W C 0.557 177.086 176.519 0.016 0.000 0.986 655 W CA -0.290 57.066 57.345 0.018 0.000 1.016 655 W CB 0.111 29.579 29.460 0.014 0.000 1.466 655 W HN 0.716 nan 8.180 nan 0.000 0.546 656 D N 0.667 121.414 120.400 0.578 0.000 2.632 656 D HA -0.288 4.350 4.640 -0.002 0.000 0.588 656 D C 0.419 176.804 176.300 0.142 0.000 0.941 656 D CA 2.264 56.410 54.000 0.244 0.000 1.653 656 D CB -0.448 40.382 40.800 0.049 0.000 0.356 656 D HN 0.266 nan 8.370 nan 0.000 0.482 657 E N -0.448 119.814 120.200 0.102 0.000 1.924 657 E HA 0.486 4.835 4.350 -0.002 0.000 0.261 657 E C 0.672 177.318 176.600 0.076 0.000 1.088 657 E CA 0.557 56.998 56.400 0.070 0.000 0.909 657 E CB 0.351 30.076 29.700 0.042 0.000 1.112 657 E HN 0.470 nan 8.360 nan 0.000 0.425 658 G N 2.451 111.298 108.800 0.078 0.000 2.613 658 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.199 658 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.199 658 G C 0.108 175.055 174.900 0.078 0.000 0.991 658 G CA -0.114 45.028 45.100 0.071 0.000 0.756 658 G HN 0.354 nan 8.290 nan 0.000 0.515 659 M N 1.264 120.925 119.600 0.103 0.000 5.137 659 M HA 0.260 4.739 4.480 -0.002 0.000 0.603 659 M C -0.793 175.590 176.300 0.138 0.000 2.327 659 M CA -0.272 55.094 55.300 0.111 0.000 0.365 659 M CB 0.533 33.192 32.600 0.099 0.000 1.978 659 M HN 0.074 nan 8.290 nan 0.000 0.650 660 K N 1.911 122.373 120.400 0.104 0.000 2.363 660 K HA 0.253 4.571 4.320 -0.002 0.000 0.240 660 K C -0.323 176.323 176.600 0.077 0.000 1.169 660 K CA 0.391 56.734 56.287 0.094 0.000 1.131 660 K CB 0.744 33.284 32.500 0.066 0.000 1.771 660 K HN 0.568 nan 8.250 nan 0.000 0.380 661 Q N 0.391 120.248 119.800 0.094 0.000 1.906 661 Q HA 0.091 4.430 4.340 -0.002 0.000 0.173 661 Q C 1.080 177.138 176.000 0.096 0.000 0.547 661 Q CA -0.065 55.787 55.803 0.081 0.000 0.613 661 Q CB -0.403 28.389 28.738 0.090 0.000 1.757 661 Q HN 0.381 nan 8.270 nan 0.000 0.235 662 Y N 0.724 121.036 120.300 0.019 0.000 2.181 662 Y HA -0.230 4.319 4.550 -0.002 0.000 0.284 662 Y C 1.516 177.430 175.900 0.023 0.000 1.179 662 Y CA 1.816 59.925 58.100 0.015 0.000 1.179 662 Y CB 0.160 38.623 38.460 0.006 0.000 0.973 662 Y HN 0.244 nan 8.280 nan 0.000 0.519 663 L N -0.719 120.640 121.223 0.227 0.000 2.145 663 L HA -0.051 4.288 4.340 -0.002 0.000 0.201 663 L C 2.457 179.381 176.870 0.091 0.000 1.075 663 L CA 1.378 56.320 54.840 0.170 0.000 0.773 663 L CB -1.899 40.258 42.059 0.163 0.000 0.936 663 L HN 0.375 nan 8.230 nan 0.000 0.451 664 I N -1.192 119.425 120.570 0.079 0.000 2.121 664 I HA -0.353 3.815 4.170 -0.002 0.000 0.243 664 I C 2.244 178.375 176.117 0.023 0.000 1.047 664 I CA 2.195 63.525 61.300 0.050 0.000 1.308 664 I CB -1.784 36.243 38.000 0.045 0.000 1.015 664 I HN 0.106 nan 8.210 nan 0.000 0.410 665 T N -0.228 114.321 114.554 -0.008 0.000 2.452 665 T HA -0.262 4.087 4.350 -0.002 0.000 0.251 665 T C 0.863 175.537 174.700 -0.042 0.000 1.232 665 T CA 2.094 64.160 62.100 -0.056 0.000 1.226 665 T CB -0.425 68.354 68.868 -0.148 0.000 0.864 665 T HN 0.576 nan 8.240 nan 0.000 0.399 666 Q N 2.401 122.168 119.800 -0.055 0.000 2.306 666 Q HA 0.147 4.486 4.340 -0.002 0.000 0.241 666 Q C -0.252 175.789 176.000 0.067 0.000 0.948 666 Q CA -0.450 55.349 55.803 -0.007 0.000 0.886 666 Q CB 0.348 29.088 28.738 0.003 0.000 1.227 666 Q HN 0.467 nan 8.270 nan 0.000 0.457 667 N N 1.916 120.657 118.700 0.068 0.000 3.059 667 N HA 0.115 4.853 4.740 -0.002 0.000 0.321 667 N C 0.524 176.123 175.510 0.148 0.000 1.224 667 N CA 0.537 53.654 53.050 0.111 0.000 1.197 667 N CB -0.557 38.000 38.487 0.117 0.000 1.453 667 N HN 0.861 nan 8.380 nan 0.000 0.544 668 G N -0.583 108.304 108.800 0.145 0.000 2.309 668 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.286 668 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.286 668 G C 0.086 175.084 174.900 0.164 0.000 1.002 668 G CA 0.646 45.836 45.100 0.150 0.000 0.786 668 G HN 0.787 nan 8.290 nan 0.000 0.511 669 S N -0.129 115.676 115.700 0.176 0.000 2.409 669 S HA 0.512 4.981 4.470 -0.002 0.000 0.308 669 S C 1.506 176.209 174.600 0.172 0.000 1.080 669 S CA -0.276 58.027 58.200 0.171 0.000 1.081 669 S CB -0.226 63.066 63.200 0.153 0.000 1.009 669 S HN 0.782 nan 8.310 nan 0.000 0.502 670 I N 1.299 121.928 120.570 0.098 0.000 3.883 670 I HA 0.298 4.467 4.170 -0.002 0.000 0.326 670 I C 0.159 176.234 176.117 -0.070 0.000 1.283 670 I CA -0.607 60.679 61.300 -0.022 0.000 1.161 670 I CB -0.101 37.901 38.000 0.003 0.000 1.012 670 I HN 0.356 nan 8.210 nan 0.000 0.421 671 Q N 3.391 123.195 119.800 0.007 0.000 2.262 671 Q HA 0.131 4.470 4.340 -0.002 0.000 0.298 671 Q C 0.935 176.913 176.000 -0.037 0.000 1.083 671 Q CA 1.254 57.057 55.803 0.000 0.000 0.962 671 Q CB 0.032 28.793 28.738 0.039 0.000 1.104 671 Q HN 0.661 nan 8.270 nan 0.000 0.376 672 G N 3.188 111.951 108.800 -0.062 0.000 2.422 672 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.290 672 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.290 672 G C -0.609 174.187 174.900 -0.174 0.000 1.059 672 G CA -0.177 44.881 45.100 -0.071 0.000 1.242 672 G HN 0.523 nan 8.290 nan 0.000 0.520 673 L N 1.911 122.984 121.223 -0.250 0.000 2.343 673 L HA 0.428 4.767 4.340 -0.002 0.000 0.278 673 L C -0.512 176.245 176.870 -0.189 0.000 0.996 673 L CA -2.200 52.413 54.840 -0.379 0.000 0.831 673 L CB 1.730 43.448 42.059 -0.569 0.000 1.232 673 L HN 0.171 nan 8.230 nan 0.000 0.413 674 P HA -0.329 nan 4.420 nan 0.000 0.255 674 P C -0.117 177.141 177.300 -0.069 0.000 0.776 674 P CA 1.532 64.594 63.100 -0.063 0.000 1.093 674 P CB 0.061 31.739 31.700 -0.036 0.000 0.807 675 N N -0.991 117.665 118.700 -0.073 0.000 3.131 675 N HA 0.267 5.006 4.740 -0.002 0.000 0.312 675 N C -1.582 173.880 175.510 -0.080 0.000 1.433 675 N CA -0.163 52.849 53.050 -0.064 0.000 1.141 675 N CB -0.329 38.127 38.487 -0.051 0.000 1.431 675 N HN -0.173 nan 8.380 nan 0.000 0.523 676 V N 1.421 121.285 119.914 -0.083 0.000 2.525 676 V HA 0.491 4.610 4.120 -0.002 0.000 0.299 676 V C -2.086 173.971 176.094 -0.061 0.000 1.034 676 V CA -1.884 60.365 62.300 -0.085 0.000 0.863 676 V CB 1.619 33.375 31.823 -0.111 0.000 0.999 676 V HN 0.235 nan 8.190 nan 0.000 0.423 677 P HA 0.045 nan 4.420 nan 0.000 0.266 677 P C 0.478 177.753 177.300 -0.041 0.000 1.186 677 P CA 0.156 63.233 63.100 -0.038 0.000 0.767 677 P CB 0.778 32.459 31.700 -0.032 0.000 0.820 678 Q N 2.176 121.953 119.800 -0.038 0.000 1.993 678 Q HA -0.214 4.124 4.340 -0.002 0.000 0.202 678 Q C 1.845 177.813 176.000 -0.053 0.000 0.984 678 Q CA 1.661 57.441 55.803 -0.038 0.000 0.837 678 Q CB -0.833 27.887 28.738 -0.030 0.000 0.902 678 Q HN 0.396 nan 8.270 nan 0.000 0.423 679 E N 0.057 120.223 120.200 -0.056 0.000 2.196 679 E HA -0.265 4.083 4.350 -0.002 0.000 0.222 679 E C 1.883 178.400 176.600 -0.138 0.000 1.072 679 E CA 1.815 58.167 56.400 -0.080 0.000 0.902 679 E CB -0.523 29.139 29.700 -0.063 0.000 0.780 679 E HN 0.402 nan 8.360 nan 0.000 0.467 680 L N 0.254 121.397 121.223 -0.133 0.000 1.937 680 L HA -0.189 4.150 4.340 -0.002 0.000 0.213 680 L C 2.421 179.199 176.870 -0.154 0.000 1.077 680 L CA 1.923 56.639 54.840 -0.205 0.000 0.758 680 L CB -0.736 41.297 42.059 -0.044 0.000 0.888 680 L HN 0.190 nan 8.230 nan 0.000 0.433 681 K N -0.511 119.859 120.400 -0.049 0.000 2.687 681 K HA -0.118 4.201 4.320 -0.002 0.000 0.197 681 K C 0.412 177.007 176.600 -0.008 0.000 1.018 681 K CA 0.952 57.237 56.287 -0.003 0.000 1.035 681 K CB -0.125 32.371 32.500 -0.005 0.000 0.834 681 K HN 0.382 nan 8.250 nan 0.000 0.496 682 D N 0.074 120.443 120.400 -0.050 0.000 2.514 682 D HA -0.017 4.622 4.640 -0.002 0.000 0.249 682 D C 1.524 177.799 176.300 -0.043 0.000 1.036 682 D CA 0.105 54.086 54.000 -0.032 0.000 0.911 682 D CB 0.217 40.992 40.800 -0.042 0.000 1.145 682 D HN 0.149 nan 8.370 nan 0.000 0.495 683 L N 0.547 121.680 121.223 -0.151 0.000 2.023 683 L HA -0.039 4.299 4.340 -0.002 0.000 0.205 683 L C 0.915 177.756 176.870 -0.048 0.000 1.073 683 L CA 1.701 56.408 54.840 -0.221 0.000 0.745 683 L CB -0.894 40.816 42.059 -0.582 0.000 0.900 683 L HN 0.058 nan 8.230 nan 0.000 0.435 684 Y N 0.102 120.449 120.300 0.079 0.000 2.955 684 Y HA 0.174 4.723 4.550 -0.002 0.000 0.386 684 Y C 0.573 176.527 175.900 0.090 0.000 1.069 684 Y CA -0.932 57.225 58.100 0.095 0.000 1.764 684 Y CB -0.238 38.282 38.460 0.099 0.000 1.646 684 Y HN 0.004 nan 8.280 nan 0.000 0.486 685 K N 1.114 121.637 120.400 0.205 0.000 2.401 685 K HA 0.080 4.399 4.320 -0.002 0.000 0.278 685 K C 0.363 177.040 176.600 0.128 0.000 1.018 685 K CA 0.184 56.556 56.287 0.143 0.000 0.981 685 K CB 0.579 33.147 32.500 0.113 0.000 0.933 685 K HN 0.060 nan 8.250 nan 0.000 0.477 686 T N 2.402 117.031 114.554 0.125 0.000 2.860 686 T HA 0.070 4.419 4.350 -0.002 0.000 0.299 686 T C 1.172 175.874 174.700 0.004 0.000 1.045 686 T CA -0.473 61.702 62.100 0.125 0.000 1.071 686 T CB 0.694 69.714 68.868 0.252 0.000 0.985 686 T HN 0.399 nan 8.240 nan 0.000 0.537 687 V N 0.705 120.509 119.914 -0.184 0.000 2.809 687 V HA -0.065 4.054 4.120 -0.002 0.000 0.256 687 V C 1.708 177.533 176.094 -0.448 0.000 1.080 687 V CA 1.111 63.098 62.300 -0.522 0.000 1.102 687 V CB -0.894 30.313 31.823 -1.026 0.000 0.705 687 V HN 0.889 nan 8.190 nan 0.000 0.475 688 W N 0.799 122.037 121.300 -0.104 0.000 2.476 688 W HA 0.090 4.749 4.660 -0.002 0.000 0.281 688 W C 2.355 178.886 176.519 0.019 0.000 1.230 688 W CA 0.548 57.909 57.345 0.028 0.000 1.287 688 W CB -0.496 29.003 29.460 0.066 0.000 1.108 688 W HN 0.191 nan 8.180 nan 0.000 0.567 689 E N 0.672 121.011 120.200 0.232 0.000 2.106 689 E HA -0.084 4.265 4.350 -0.002 0.000 0.192 689 E C 0.721 177.365 176.600 0.075 0.000 0.984 689 E CA 0.534 57.020 56.400 0.143 0.000 0.806 689 E CB -0.245 29.535 29.700 0.134 0.000 0.750 689 E HN 0.184 nan 8.360 nan 0.000 0.458 690 I N 1.309 121.885 120.570 0.009 0.000 2.836 690 I HA -0.078 4.091 4.170 -0.002 0.000 0.285 690 I C 0.785 176.906 176.117 0.007 0.000 1.174 690 I CA -0.149 61.137 61.300 -0.022 0.000 1.405 690 I CB 0.803 38.701 38.000 -0.170 0.000 1.385 690 I HN -0.061 nan 8.210 nan 0.000 0.594 691 S N 3.658 119.380 115.700 0.036 0.000 2.549 691 S HA 0.054 4.523 4.470 -0.002 0.000 0.279 691 S C 0.900 175.538 174.600 0.064 0.000 1.321 691 S CA -0.605 57.631 58.200 0.061 0.000 1.054 691 S CB 0.883 64.127 63.200 0.075 0.000 0.899 691 S HN 0.536 nan 8.310 nan 0.000 0.497 692 Q N 4.310 124.162 119.800 0.086 0.000 2.096 692 Q HA 0.026 4.365 4.340 -0.002 0.000 0.197 692 Q C 1.533 177.616 176.000 0.139 0.000 0.964 692 Q CA 1.401 57.262 55.803 0.098 0.000 0.838 692 Q CB -0.349 28.454 28.738 0.108 0.000 0.906 692 Q HN 0.756 nan 8.270 nan 0.000 0.444 693 K N 0.797 121.310 120.400 0.188 0.000 2.515 693 K HA -0.044 4.275 4.320 -0.002 0.000 0.196 693 K C 1.858 178.583 176.600 0.208 0.000 1.038 693 K CA 1.318 57.783 56.287 0.297 0.000 0.967 693 K CB -0.017 32.688 32.500 0.343 0.000 0.780 693 K HN 0.334 nan 8.250 nan 0.000 0.483 694 T N -1.891 112.749 114.554 0.144 0.000 3.044 694 T HA 0.123 4.472 4.350 -0.002 0.000 0.255 694 T C 1.873 176.656 174.700 0.138 0.000 1.073 694 T CA 0.095 62.273 62.100 0.130 0.000 1.125 694 T CB -0.069 68.875 68.868 0.127 0.000 0.908 694 T HN 0.016 nan 8.240 nan 0.000 0.480 695 I N 0.953 121.595 120.570 0.120 0.000 2.141 695 I HA 0.026 4.195 4.170 -0.002 0.000 0.236 695 I C 2.377 178.549 176.117 0.092 0.000 1.071 695 I CA 1.044 62.419 61.300 0.126 0.000 1.345 695 I CB -0.465 37.572 38.000 0.061 0.000 1.066 695 I HN 0.089 nan 8.210 nan 0.000 0.406 696 I N 1.354 121.957 120.570 0.055 0.000 2.285 696 I HA -0.369 3.800 4.170 -0.002 0.000 0.253 696 I C 1.986 178.065 176.117 -0.064 0.000 1.104 696 I CA 1.884 63.168 61.300 -0.027 0.000 1.372 696 I CB -0.579 37.366 38.000 -0.091 0.000 1.057 696 I HN 0.322 nan 8.210 nan 0.000 0.431 697 N N -0.189 118.508 118.700 -0.005 0.000 2.176 697 N HA -0.001 4.737 4.740 -0.002 0.000 0.187 697 N C 1.823 177.320 175.510 -0.022 0.000 1.043 697 N CA 0.936 53.973 53.050 -0.021 0.000 0.851 697 N CB -0.146 38.364 38.487 0.037 0.000 1.018 697 N HN 0.112 nan 8.380 nan 0.000 0.436 698 M N 0.568 120.186 119.600 0.030 0.000 2.153 698 M HA -0.283 4.196 4.480 -0.002 0.000 0.253 698 M C 2.066 178.342 176.300 -0.040 0.000 1.081 698 M CA 1.649 56.956 55.300 0.012 0.000 1.076 698 M CB -0.533 32.136 32.600 0.115 0.000 1.350 698 M HN 0.265 nan 8.290 nan 0.000 0.401 699 A N 0.526 123.356 122.820 0.015 0.000 1.851 699 A HA -0.083 4.236 4.320 -0.002 0.000 0.216 699 A C 2.343 179.906 177.584 -0.036 0.000 1.195 699 A CA 2.159 54.228 52.037 0.054 0.000 0.622 699 A CB -1.072 17.964 19.000 0.060 0.000 0.831 699 A HN 0.539 nan 8.150 nan 0.000 0.444 700 A N -1.003 121.754 122.820 -0.105 0.000 2.209 700 A HA -0.049 4.270 4.320 -0.002 0.000 0.212 700 A C 1.623 178.986 177.584 -0.367 0.000 1.158 700 A CA 1.431 53.351 52.037 -0.195 0.000 0.742 700 A CB -0.410 18.506 19.000 -0.139 0.000 0.790 700 A HN 0.548 nan 8.150 nan 0.000 0.472 701 D N 0.266 120.497 120.400 -0.283 0.000 2.107 701 D HA -0.134 4.505 4.640 -0.002 0.000 0.204 701 D C 2.278 178.324 176.300 -0.424 0.000 0.978 701 D CA 1.552 55.361 54.000 -0.318 0.000 0.852 701 D CB -0.333 40.354 40.800 -0.188 0.000 1.008 701 D HN 0.674 nan 8.370 nan 0.000 0.458 702 R N 1.162 121.410 120.500 -0.420 0.000 2.159 702 R HA -0.053 4.286 4.340 -0.002 0.000 0.237 702 R C 2.021 177.999 176.300 -0.537 0.000 1.131 702 R CA 1.425 57.158 56.100 -0.612 0.000 0.982 702 R CB -0.516 29.034 30.300 -1.251 0.000 0.868 702 R HN -0.128 nan 8.270 nan 0.000 0.453 703 S N 0.953 116.364 115.700 -0.482 0.000 2.407 703 S HA -0.165 4.304 4.470 -0.002 0.000 0.235 703 S C 2.015 176.074 174.600 -0.902 0.000 1.036 703 S CA 1.696 59.609 58.200 -0.478 0.000 1.013 703 S CB -0.400 62.496 63.200 -0.506 0.000 0.820 703 S HN 0.506 nan 8.310 nan 0.000 0.476 704 V N -1.729 117.389 119.914 -1.327 0.000 2.809 704 V HA -0.017 4.102 4.120 -0.002 0.000 0.256 704 V C 0.588 176.227 176.094 -0.760 0.000 1.080 704 V CA 0.941 62.294 62.300 -1.578 0.000 1.102 704 V CB -1.151 29.891 31.823 -1.302 0.000 0.705 704 V HN 0.569 nan 8.190 nan 0.000 0.475 705 Y N 0.659 120.821 120.300 -0.230 0.000 2.696 705 Y HA 0.730 5.279 4.550 -0.002 0.000 0.378 705 Y C -0.029 175.675 175.900 -0.326 0.000 1.012 705 Y CA -0.807 57.200 58.100 -0.156 0.000 1.396 705 Y CB 0.023 38.609 38.460 0.211 0.000 1.415 705 Y HN 0.102 nan 8.280 nan 0.000 0.569 706 I N 0.807 121.258 120.570 -0.199 0.000 2.517 706 I HA 0.170 4.339 4.170 -0.002 0.000 0.280 706 I C 0.109 176.163 176.117 -0.104 0.000 1.061 706 I CA -0.390 60.840 61.300 -0.117 0.000 1.091 706 I CB 1.578 39.599 38.000 0.035 0.000 1.205 706 I HN 0.219 nan 8.210 nan 0.000 0.459 707 D N 3.189 123.467 120.400 -0.204 0.000 2.172 707 D HA -0.176 4.463 4.640 -0.002 0.000 0.196 707 D C 1.279 177.569 176.300 -0.017 0.000 0.999 707 D CA 1.708 55.659 54.000 -0.083 0.000 0.856 707 D CB 0.416 41.207 40.800 -0.015 0.000 0.934 707 D HN 0.499 nan 8.370 nan 0.000 0.453 708 Q N -0.579 119.223 119.800 0.003 0.000 3.042 708 Q HA 0.347 4.686 4.340 -0.002 0.000 0.201 708 Q C 0.586 176.617 176.000 0.052 0.000 1.156 708 Q CA -0.258 55.555 55.803 0.017 0.000 0.440 708 Q CB 0.321 29.066 28.738 0.013 0.000 5.406 708 Q HN 0.103 nan 8.270 nan 0.000 0.316 709 S N -1.357 114.379 115.700 0.060 0.000 2.921 709 S HA 0.621 5.090 4.470 -0.002 0.000 0.315 709 S C -1.388 173.302 174.600 0.150 0.000 1.087 709 S CA -0.147 58.107 58.200 0.089 0.000 0.877 709 S CB 1.180 64.404 63.200 0.039 0.000 1.340 709 S HN 0.739 nan 8.310 nan 0.000 0.622 710 H N -1.213 117.854 119.070 -0.006 0.000 2.950 710 H HA 0.653 5.207 4.556 -0.002 0.000 0.307 710 H C -1.263 174.039 175.328 -0.043 0.000 1.403 710 H CA -0.324 55.703 56.048 -0.034 0.000 1.145 710 H CB 0.765 30.520 29.762 -0.012 0.000 1.844 710 H HN 0.666 nan 8.280 nan 0.000 0.515 711 S N 1.477 117.134 115.700 -0.071 0.000 2.482 711 S HA 0.601 5.070 4.470 -0.002 0.000 0.303 711 S C -1.183 173.419 174.600 0.003 0.000 1.091 711 S CA -0.862 57.257 58.200 -0.135 0.000 1.057 711 S CB 0.945 63.985 63.200 -0.267 0.000 1.031 711 S HN 0.570 nan 8.310 nan 0.000 0.485 712 L N 3.305 124.534 121.223 0.010 0.000 2.395 712 L HA 0.459 4.798 4.340 -0.002 0.000 0.269 712 L C -0.005 176.942 176.870 0.128 0.000 1.133 712 L CA 0.137 55.025 54.840 0.079 0.000 0.812 712 L CB 0.498 42.596 42.059 0.065 0.000 1.125 712 L HN 0.852 nan 8.230 nan 0.000 0.452 713 N N 1.791 120.567 118.700 0.127 0.000 2.672 713 N HA 0.239 4.978 4.740 -0.002 0.000 0.295 713 N C -0.770 174.780 175.510 0.065 0.000 1.924 713 N CA -0.566 52.536 53.050 0.086 0.000 0.851 713 N CB 0.285 38.854 38.487 0.136 0.000 1.281 713 N HN 0.421 nan 8.380 nan 0.000 0.494 714 L N -2.045 119.209 121.223 0.052 0.000 2.581 714 L HA 0.127 4.466 4.340 -0.002 0.000 0.299 714 L C -0.444 176.392 176.870 -0.057 0.000 1.261 714 L CA 0.920 55.793 54.840 0.056 0.000 0.866 714 L CB 0.030 42.122 42.059 0.056 0.000 1.113 714 L HN 0.244 nan 8.230 nan 0.000 0.514 715 F N 2.326 122.195 119.950 -0.136 0.000 2.688 715 F HA 0.466 4.992 4.527 -0.002 0.000 0.376 715 F C 0.430 176.209 175.800 -0.035 0.000 1.428 715 F CA -0.469 57.372 58.000 -0.265 0.000 1.156 715 F CB 0.629 39.258 39.000 -0.617 0.000 1.141 715 F HN 0.419 nan 8.300 nan 0.000 0.521 716 L N 0.234 121.567 121.223 0.183 0.000 2.475 716 L HA 0.292 4.631 4.340 -0.002 0.000 0.250 716 L C 1.800 178.915 176.870 0.408 0.000 1.224 716 L CA 0.169 55.173 54.840 0.273 0.000 0.821 716 L CB 0.513 42.657 42.059 0.143 0.000 1.141 716 L HN 0.290 nan 8.230 nan 0.000 0.494 717 R N 0.557 121.235 120.500 0.298 0.000 2.005 717 R HA 0.233 4.572 4.340 -0.002 0.000 0.213 717 R C 0.304 176.670 176.300 0.110 0.000 1.308 717 R CA 0.680 56.901 56.100 0.202 0.000 1.022 717 R CB -0.154 30.205 30.300 0.099 0.000 0.883 717 R HN 0.685 nan 8.270 nan 0.000 0.470 718 A N 2.876 125.740 122.820 0.073 0.000 3.000 718 A HA 0.400 4.718 4.320 -0.002 0.000 0.315 718 A C -2.354 175.256 177.584 0.043 0.000 1.434 718 A CA -1.528 50.535 52.037 0.044 0.000 1.108 718 A CB 0.254 19.272 19.000 0.030 0.000 1.171 718 A HN 0.294 nan 8.150 nan 0.000 0.524 719 P HA 0.314 nan 4.420 nan 0.000 0.276 719 P C -0.113 177.190 177.300 0.005 0.000 1.235 719 P CA 0.280 63.391 63.100 0.020 0.000 0.772 719 P CB 0.997 32.695 31.700 -0.003 0.000 0.871 720 T N 3.198 117.760 114.554 0.013 0.000 2.875 720 T HA 0.191 4.540 4.350 -0.002 0.000 0.284 720 T C 1.329 176.028 174.700 -0.001 0.000 0.995 720 T CA -0.484 61.626 62.100 0.016 0.000 1.060 720 T CB 0.597 69.489 68.868 0.039 0.000 0.967 720 T HN 0.221 nan 8.240 nan 0.000 0.476 721 M N 2.102 121.684 119.600 -0.029 0.000 2.699 721 M HA -0.001 4.477 4.480 -0.002 0.000 0.253 721 M C 1.786 178.111 176.300 0.041 0.000 1.062 721 M CA 1.035 56.277 55.300 -0.096 0.000 1.050 721 M CB -0.490 31.957 32.600 -0.255 0.000 1.380 721 M HN 0.896 nan 8.290 nan 0.000 0.520 722 G N -2.373 106.473 108.800 0.075 0.000 2.695 722 G HA2 0.018 3.977 3.960 -0.002 0.000 0.205 722 G HA3 0.018 3.977 3.960 -0.002 0.000 0.205 722 G C 1.499 176.453 174.900 0.090 0.000 1.068 722 G CA -0.209 44.956 45.100 0.109 0.000 0.842 722 G HN 0.098 nan 8.290 nan 0.000 0.628 723 K N 1.088 121.526 120.400 0.062 0.000 2.021 723 K HA 0.252 4.571 4.320 -0.002 0.000 0.205 723 K C 2.492 179.119 176.600 0.045 0.000 1.047 723 K CA 0.528 56.847 56.287 0.054 0.000 0.943 723 K CB -0.796 31.729 32.500 0.041 0.000 0.725 723 K HN 0.303 nan 8.250 nan 0.000 0.439 724 L N 0.765 121.985 121.223 -0.004 0.000 2.089 724 L HA -0.243 4.096 4.340 -0.002 0.000 0.213 724 L C 2.163 178.992 176.870 -0.069 0.000 1.079 724 L CA 1.739 56.502 54.840 -0.128 0.000 0.758 724 L CB -0.881 41.071 42.059 -0.179 0.000 0.891 724 L HN 0.172 nan 8.230 nan 0.000 0.433 725 T N -1.623 113.055 114.554 0.206 0.000 2.821 725 T HA -0.144 4.205 4.350 -0.002 0.000 0.267 725 T C 2.205 177.206 174.700 0.501 0.000 1.046 725 T CA 1.488 63.914 62.100 0.543 0.000 1.139 725 T CB -0.012 69.138 68.868 0.470 0.000 0.871 725 T HN 0.210 nan 8.240 nan 0.000 0.454 726 S N 0.574 116.438 115.700 0.274 0.000 2.383 726 S HA -0.015 4.454 4.470 -0.002 0.000 0.227 726 S C 2.084 176.881 174.600 0.327 0.000 1.026 726 S CA 0.744 59.095 58.200 0.252 0.000 0.981 726 S CB -0.237 63.040 63.200 0.128 0.000 0.818 726 S HN 0.247 nan 8.310 nan 0.000 0.472 727 M N 0.537 120.279 119.600 0.237 0.000 2.117 727 M HA -0.063 4.416 4.480 -0.002 0.000 0.262 727 M C 1.719 178.217 176.300 0.331 0.000 1.065 727 M CA 1.594 57.029 55.300 0.225 0.000 1.114 727 M CB -1.597 31.036 32.600 0.056 0.000 1.361 727 M HN 0.490 nan 8.290 nan 0.000 0.408 728 H N -2.192 117.088 119.070 0.351 0.000 2.462 728 H HA -0.034 4.520 4.556 -0.002 0.000 0.292 728 H C 1.657 177.129 175.328 0.239 0.000 1.049 728 H CA 0.719 56.960 56.048 0.321 0.000 1.334 728 H CB 0.156 30.178 29.762 0.434 0.000 1.404 728 H HN 0.216 nan 8.280 nan 0.000 0.544 729 F N -0.922 119.306 119.950 0.463 0.000 2.530 729 F HA -0.101 4.426 4.527 0.000 0.000 0.292 729 F C 2.172 178.228 175.800 0.427 0.000 1.109 729 F CA 0.132 58.374 58.000 0.403 0.000 1.450 729 F CB 0.001 39.127 39.000 0.209 0.000 1.114 729 F HN 0.161 nan 8.300 nan 0.000 0.560 730 Y N 1.113 121.623 120.300 0.349 0.000 2.036 730 Y HA -0.128 4.421 4.550 -0.002 0.000 0.273 730 Y C 2.466 178.457 175.900 0.152 0.000 1.135 730 Y CA 1.544 59.770 58.100 0.209 0.000 1.106 730 Y CB -1.133 37.422 38.460 0.158 0.000 0.976 730 Y HN 0.021 nan 8.280 nan 0.000 0.483 731 G N -0.639 108.203 108.800 0.069 0.000 2.469 731 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.219 731 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.219 731 G C 1.540 176.412 174.900 -0.046 0.000 1.150 731 G CA 0.964 46.024 45.100 -0.067 0.000 0.763 731 G HN 0.637 nan 8.290 nan 0.000 0.561 732 W N 1.663 122.848 121.300 -0.191 0.000 2.311 732 W HA -0.127 4.531 4.660 -0.003 0.000 0.326 732 W C 2.580 178.911 176.519 -0.313 0.000 1.239 732 W CA 2.050 59.082 57.345 -0.523 0.000 1.258 732 W CB -0.425 28.698 29.460 -0.562 0.000 1.165 732 W HN 0.123 nan 8.180 nan 0.000 0.466 733 K N 0.036 120.224 120.400 -0.354 0.000 2.211 733 K HA -0.170 4.149 4.320 -0.002 0.000 0.204 733 K C 1.835 178.218 176.600 -0.363 0.000 1.047 733 K CA 1.360 57.323 56.287 -0.541 0.000 0.935 733 K CB -0.389 32.054 32.500 -0.095 0.000 0.728 733 K HN 0.204 nan 8.250 nan 0.000 0.452 734 K N -0.139 120.123 120.400 -0.231 0.000 2.574 734 K HA -0.066 4.253 4.320 -0.002 0.000 0.193 734 K C 0.973 177.514 176.600 -0.099 0.000 1.035 734 K CA 0.741 56.925 56.287 -0.171 0.000 0.982 734 K CB 0.189 32.527 32.500 -0.269 0.000 0.795 734 K HN 0.447 nan 8.250 nan 0.000 0.491 735 G N 1.157 109.823 108.800 -0.225 0.000 2.175 735 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.244 735 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.244 735 G C 0.188 174.972 174.900 -0.193 0.000 0.982 735 G CA -0.214 44.761 45.100 -0.208 0.000 0.641 735 G HN 0.198 nan 8.290 nan 0.000 0.527 736 L N -0.218 120.965 121.223 -0.068 0.000 2.467 736 L HA 0.305 4.644 4.340 -0.002 0.000 0.270 736 L C 1.799 178.702 176.870 0.054 0.000 1.205 736 L CA 0.387 55.270 54.840 0.072 0.000 0.828 736 L CB 0.765 42.867 42.059 0.071 0.000 1.101 736 L HN 0.159 nan 8.230 nan 0.000 0.479 737 K N 0.116 120.566 120.400 0.083 0.000 2.172 737 K HA 0.084 4.403 4.320 -0.002 0.000 0.203 737 K C 0.119 176.775 176.600 0.093 0.000 1.040 737 K CA 0.515 56.830 56.287 0.046 0.000 0.974 737 K CB 0.400 32.909 32.500 0.015 0.000 0.857 737 K HN 0.587 nan 8.250 nan 0.000 0.464 738 T N 1.290 115.877 114.554 0.056 0.000 2.733 738 T HA 0.314 4.663 4.350 -0.002 0.000 0.294 738 T C 0.385 175.130 174.700 0.076 0.000 0.956 738 T CA -0.761 61.355 62.100 0.027 0.000 0.987 738 T CB 1.471 70.310 68.868 -0.048 0.000 0.920 738 T HN 0.280 nan 8.240 nan 0.000 0.470 739 G N 2.900 111.719 108.800 0.031 0.000 2.443 739 G HA2 0.230 4.189 3.960 -0.002 0.000 0.286 739 G HA3 0.230 4.189 3.960 -0.002 0.000 0.286 739 G C 0.466 175.446 174.900 0.135 0.000 1.393 739 G CA -0.652 44.564 45.100 0.193 0.000 1.080 739 G HN 0.604 nan 8.290 nan 0.000 0.566 740 M N 0.783 120.488 119.600 0.175 0.000 2.390 740 M HA 0.033 4.512 4.480 -0.002 0.000 0.353 740 M C 0.477 176.832 176.300 0.091 0.000 1.623 740 M CA -0.319 55.080 55.300 0.166 0.000 1.065 740 M CB -0.190 32.612 32.600 0.338 0.000 2.025 740 M HN 0.678 nan 8.290 nan 0.000 0.461 741 Y N 6.938 127.210 120.300 -0.046 0.000 2.269 741 Y HA 0.049 4.597 4.550 -0.002 0.000 0.294 741 Y C -0.666 175.174 175.900 -0.100 0.000 1.120 741 Y CA 1.170 59.184 58.100 -0.142 0.000 1.159 741 Y CB 0.248 38.575 38.460 -0.223 0.000 1.024 741 Y HN 0.645 nan 8.280 nan 0.000 0.532 742 Y N 0.501 120.582 120.300 -0.365 0.000 2.479 742 Y HA 0.427 4.976 4.550 -0.002 0.000 0.338 742 Y C -1.548 174.199 175.900 -0.255 0.000 1.055 742 Y CA -1.562 56.294 58.100 -0.407 0.000 1.023 742 Y CB 1.498 39.628 38.460 -0.550 0.000 1.287 742 Y HN -0.143 nan 8.280 nan 0.000 0.447 743 L N 7.182 128.097 121.223 -0.514 0.000 2.316 743 L HA 0.611 4.950 4.340 -0.002 0.000 0.280 743 L C -1.218 175.313 176.870 -0.566 0.000 1.006 743 L CA -0.516 54.055 54.840 -0.449 0.000 0.836 743 L CB 1.004 42.887 42.059 -0.294 0.000 1.221 743 L HN 0.800 nan 8.230 nan 0.000 0.418 744 R N 3.137 123.271 120.500 -0.610 0.000 2.297 744 R HA 0.433 4.772 4.340 -0.002 0.000 0.308 744 R C 0.063 176.311 176.300 -0.086 0.000 1.029 744 R CA -0.201 55.681 56.100 -0.363 0.000 0.929 744 R CB 1.840 31.891 30.300 -0.416 0.000 1.046 744 R HN 0.706 nan 8.270 nan 0.000 0.461 745 T N 0.857 115.488 114.554 0.127 0.000 3.422 745 T HA 0.129 4.478 4.350 -0.002 0.000 0.192 745 T C -0.241 174.622 174.700 0.271 0.000 0.857 745 T CA -0.007 62.235 62.100 0.237 0.000 1.400 745 T CB 0.135 69.049 68.868 0.076 0.000 1.864 745 T HN 0.275 nan 8.240 nan 0.000 0.415 746 Q N 0.000 119.887 119.800 0.144 0.000 2.315 746 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 746 Q CA 0.000 55.863 55.803 0.100 0.000 1.022 746 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 746 Q HN 0.000 nan 8.270 nan 0.000 0.481