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 1w99_1_A DATA FIRST_RESID 84 DATA SEQUENCE TPERVWNDFM TNTGNLIDQT VTAYVRTDAN AKMTVVKDYL DQYTTKFNTW DATA SEQUENCE KREPNNQSYR TAVITQFNLT SAKLRETAVY FSNLVGYELL LLPIYAQVAN DATA SEQUENCE FNLLLIRDGL INAQEWSLAR SAGDQLYNTM VQYTKEYIAH SITWYNKGLD DATA SEQUENCE VLRNKSNGQW ITFNDYKREM TIQVLDILAL FASYDPRRYP ADKIDNTKLS DATA SEQUENCE KTEFTREIYT ALVESPSSKS IAALEAALTR DVHLFTWLKR VDFWTNTIYQ DATA SEQUENCE DLRFLSANKI GFSYTNSSAM QESGIYGSSG FGSNLTHQIQ LNSNVYKTSI DATA SEQUENCE TDTSSPSNRV TKMDFYKIDG TLASYNSNIT PTPEGLRTTF FGFSTNENTP DATA SEQUENCE NQPTVNDYTH ILSYIKTDVI DYNSNRVSFA WTHKIVDPNN QIYTDAITQV DATA SEQUENCE PAVKSNFLNA TAKVIKGPGH TGGDLVALTS NGTLSGRMEI QCKTSIFNDP DATA SEQUENCE TRSYGLRIRY AANSPIVLNV SYVLQGVSRG TTISTESTFS RPNNIIPTDL DATA SEQUENCE KYEEFRYKDP FDAIVPMRLS SNQLITIAIQ PLNMTSNNQV IIDRIEIIPI DATA SEQUENCE TQSVLDET 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 84 T HA 0.000 nan 4.350 nan 0.000 0.228 84 T C 0.000 174.713 174.700 0.022 0.000 1.109 84 T CA 0.000 62.112 62.100 0.019 0.000 1.349 84 T CB 0.000 68.878 68.868 0.017 0.000 0.612 85 P HA 0.363 nan 4.420 nan 0.000 0.268 85 P C 0.073 177.389 177.300 0.027 0.000 1.205 85 P CA -0.208 62.909 63.100 0.027 0.000 0.771 85 P CB 0.590 32.309 31.700 0.031 0.000 0.858 86 E N 2.117 122.332 120.200 0.025 0.000 2.354 86 E HA 0.203 4.553 4.350 -0.000 0.000 0.269 86 E C 0.017 176.633 176.600 0.025 0.000 1.036 86 E CA -0.318 56.096 56.400 0.025 0.000 0.876 86 E CB 0.682 30.395 29.700 0.020 0.000 1.009 86 E HN 0.221 nan 8.360 nan 0.000 0.416 87 R N 1.572 122.093 120.500 0.035 0.000 2.494 87 R HA 0.455 4.795 4.340 -0.000 0.000 0.305 87 R C -0.950 175.382 176.300 0.053 0.000 0.959 87 R CA -0.752 55.373 56.100 0.041 0.000 0.864 87 R CB 1.959 32.291 30.300 0.054 0.000 1.159 87 R HN 0.325 nan 8.270 nan 0.000 0.446 88 V N 4.742 124.671 119.914 0.026 0.000 2.769 88 V HA 0.304 4.424 4.120 -0.000 0.000 0.312 88 V C 1.179 177.287 176.094 0.022 0.000 1.061 88 V CA -0.964 61.350 62.300 0.023 0.000 0.931 88 V CB 1.532 33.294 31.823 -0.102 0.000 1.010 88 V HN 0.945 nan 8.190 nan 0.000 0.433 89 W N 5.274 126.630 121.300 0.094 0.000 2.313 89 W HA -0.199 4.461 4.660 -0.000 0.000 0.293 89 W C 0.820 177.504 176.519 0.275 0.000 1.216 89 W CA 1.677 59.121 57.345 0.165 0.000 1.223 89 W CB -0.993 28.549 29.460 0.137 0.000 1.138 89 W HN 0.826 nan 8.180 nan 0.000 0.535 90 N N 1.566 119.792 118.700 -0.790 0.000 2.380 90 N HA -0.051 4.688 4.740 -0.000 0.000 0.255 90 N C 0.117 175.260 175.510 -0.612 0.000 1.158 90 N CA 0.614 53.200 53.050 -0.773 0.000 0.878 90 N CB -0.801 36.802 38.487 -1.473 0.000 1.138 90 N HN 0.244 nan 8.380 nan 0.000 0.509 91 D N -0.341 119.858 120.400 -0.335 0.000 2.363 91 D HA -0.037 4.603 4.640 -0.000 0.000 0.214 91 D C 1.127 177.315 176.300 -0.188 0.000 1.093 91 D CA -0.636 53.209 54.000 -0.258 0.000 0.837 91 D CB -0.802 39.924 40.800 -0.124 0.000 0.948 91 D HN 0.288 nan 8.370 nan 0.000 0.507 92 F N -0.698 119.205 119.950 -0.077 0.000 2.494 92 F HA 0.194 4.721 4.527 -0.000 0.000 0.298 92 F C 1.741 177.502 175.800 -0.066 0.000 1.106 92 F CA 0.327 58.294 58.000 -0.056 0.000 1.452 92 F CB -0.662 38.313 39.000 -0.042 0.000 1.085 92 F HN -0.101 nan 8.300 nan 0.000 0.569 93 M N 0.950 120.356 119.600 -0.323 0.000 2.495 93 M HA 0.100 4.580 4.480 -0.000 0.000 0.237 93 M C 0.674 176.867 176.300 -0.178 0.000 1.131 93 M CA 0.332 55.525 55.300 -0.179 0.000 1.032 93 M CB -0.182 32.272 32.600 -0.243 0.000 1.513 93 M HN 0.293 nan 8.290 nan 0.000 0.488 94 T N -1.892 112.545 114.554 -0.196 0.000 2.862 94 T HA 0.222 4.572 4.350 -0.000 0.000 0.276 94 T C 0.183 174.822 174.700 -0.101 0.000 0.974 94 T CA -0.851 61.121 62.100 -0.212 0.000 0.966 94 T CB 1.136 69.889 68.868 -0.191 0.000 1.072 94 T HN 0.035 nan 8.240 nan 0.000 0.538 95 N N 1.312 119.961 118.700 -0.085 0.000 2.399 95 N HA 0.089 4.829 4.740 -0.000 0.000 0.259 95 N C 0.828 176.334 175.510 -0.006 0.000 1.160 95 N CA 0.054 53.084 53.050 -0.033 0.000 0.946 95 N CB 0.844 39.315 38.487 -0.027 0.000 1.156 95 N HN 0.870 nan 8.380 nan 0.000 0.489 96 T N -0.624 113.934 114.554 0.007 0.000 3.092 96 T HA 0.197 4.547 4.350 -0.000 0.000 0.258 96 T C 1.494 176.207 174.700 0.022 0.000 1.031 96 T CA -0.038 62.075 62.100 0.021 0.000 0.925 96 T CB 0.221 69.110 68.868 0.034 0.000 1.036 96 T HN 0.292 nan 8.240 nan 0.000 0.544 97 G N 2.112 110.922 108.800 0.017 0.000 2.650 97 G HA2 0.148 4.108 3.960 -0.000 0.000 0.214 97 G HA3 0.148 4.108 3.960 -0.000 0.000 0.214 97 G C 0.346 175.254 174.900 0.015 0.000 1.136 97 G CA 0.096 45.205 45.100 0.015 0.000 0.789 97 G HN 0.780 nan 8.290 nan 0.000 0.536 98 N N -2.212 116.498 118.700 0.016 0.000 2.416 98 N HA 0.399 5.139 4.740 -0.000 0.000 0.276 98 N C 0.400 175.921 175.510 0.020 0.000 1.261 98 N CA -0.915 52.145 53.050 0.016 0.000 0.790 98 N CB 1.346 39.841 38.487 0.013 0.000 1.554 98 N HN -0.185 nan 8.380 nan 0.000 0.481 99 L N 0.885 122.120 121.223 0.019 0.000 2.083 99 L HA 0.154 4.494 4.340 -0.000 0.000 0.209 99 L C 1.488 178.372 176.870 0.024 0.000 1.083 99 L CA 1.517 56.369 54.840 0.021 0.000 0.752 99 L CB -0.576 41.493 42.059 0.017 0.000 0.899 99 L HN 0.791 nan 8.230 nan 0.000 0.433 100 I N -0.627 119.955 120.570 0.021 0.000 2.142 100 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 100 I C 2.054 178.192 176.117 0.035 0.000 1.078 100 I CA 1.559 62.873 61.300 0.023 0.000 1.343 100 I CB -0.616 37.394 38.000 0.018 0.000 1.046 100 I HN 0.267 nan 8.210 nan 0.000 0.405 101 D N 0.455 120.876 120.400 0.036 0.000 2.144 101 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 101 D C 2.243 178.580 176.300 0.062 0.000 0.984 101 D CA 1.175 55.205 54.000 0.050 0.000 0.834 101 D CB -0.255 40.565 40.800 0.033 0.000 0.955 101 D HN 0.460 nan 8.370 nan 0.000 0.465 102 Q N -0.048 119.780 119.800 0.047 0.000 2.124 102 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 102 Q C 2.053 178.086 176.000 0.055 0.000 0.977 102 Q CA 1.277 57.108 55.803 0.047 0.000 0.850 102 Q CB -0.019 28.741 28.738 0.035 0.000 0.901 102 Q HN 0.224 nan 8.270 nan 0.000 0.429 103 T N 0.166 114.752 114.554 0.053 0.000 2.857 103 T HA -0.077 4.272 4.350 -0.000 0.000 0.266 103 T C 1.976 176.727 174.700 0.086 0.000 1.048 103 T CA 0.992 63.126 62.100 0.057 0.000 1.139 103 T CB -0.074 68.818 68.868 0.040 0.000 0.874 103 T HN 0.045 nan 8.240 nan 0.000 0.455 104 V N 1.639 121.608 119.914 0.092 0.000 2.427 104 V HA -0.157 3.962 4.120 -0.000 0.000 0.248 104 V C 2.775 178.957 176.094 0.147 0.000 1.051 104 V CA 1.825 64.202 62.300 0.128 0.000 1.048 104 V CB -1.071 30.825 31.823 0.121 0.000 0.666 104 V HN 0.502 nan 8.190 nan 0.000 0.456 105 T N 0.455 115.092 114.554 0.139 0.000 2.788 105 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 105 T C 2.053 176.776 174.700 0.038 0.000 1.044 105 T CA 1.537 63.716 62.100 0.131 0.000 1.139 105 T CB -0.368 68.584 68.868 0.139 0.000 0.867 105 T HN 0.569 nan 8.240 nan 0.000 0.454 106 A N 0.536 123.387 122.820 0.052 0.000 1.933 106 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 106 A C 2.076 179.669 177.584 0.015 0.000 1.175 106 A CA 1.502 53.554 52.037 0.026 0.000 0.628 106 A CB -0.926 18.101 19.000 0.045 0.000 0.814 106 A HN 0.615 nan 8.150 nan 0.000 0.444 107 Y N 0.619 120.900 120.300 -0.033 0.000 2.200 107 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 107 Y C 2.229 178.088 175.900 -0.068 0.000 1.137 107 Y CA 1.701 59.776 58.100 -0.041 0.000 1.163 107 Y CB -0.454 37.984 38.460 -0.036 0.000 0.988 107 Y HN 0.045 nan 8.280 nan 0.000 0.518 108 V N 1.256 120.983 119.914 -0.313 0.000 2.332 108 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 108 V C 2.425 178.304 176.094 -0.358 0.000 1.055 108 V CA 2.421 64.463 62.300 -0.430 0.000 1.038 108 V CB -0.613 30.912 31.823 -0.496 0.000 0.651 108 V HN 0.386 nan 8.190 nan 0.000 0.450 109 R N -0.476 119.874 120.500 -0.250 0.000 2.075 109 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 109 R C 2.396 178.581 176.300 -0.193 0.000 1.126 109 R CA 1.842 57.824 56.100 -0.197 0.000 0.963 109 R CB -0.721 29.501 30.300 -0.131 0.000 0.858 109 R HN 0.488 nan 8.270 nan 0.000 0.435 110 T N 0.640 115.065 114.554 -0.215 0.000 2.777 110 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 110 T C 1.372 175.939 174.700 -0.222 0.000 1.040 110 T CA 1.806 63.801 62.100 -0.175 0.000 1.141 110 T CB -0.303 68.493 68.868 -0.121 0.000 0.868 110 T HN 0.357 nan 8.240 nan 0.000 0.444 111 D N 1.062 121.208 120.400 -0.424 0.000 2.144 111 D HA -0.007 4.633 4.640 -0.000 0.000 0.200 111 D C 2.224 178.445 176.300 -0.132 0.000 0.978 111 D CA 1.067 54.860 54.000 -0.344 0.000 0.833 111 D CB -0.239 40.210 40.800 -0.585 0.000 0.961 111 D HN 0.323 nan 8.370 nan 0.000 0.470 112 A N 0.359 123.120 122.820 -0.098 0.000 1.902 112 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 112 A C 2.106 179.734 177.584 0.074 0.000 1.181 112 A CA 1.531 53.611 52.037 0.073 0.000 0.623 112 A CB -0.680 18.206 19.000 -0.189 0.000 0.818 112 A HN 0.254 nan 8.150 nan 0.000 0.443 113 N N 0.405 119.088 118.700 -0.028 0.000 2.166 113 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 113 N C 1.856 177.381 175.510 0.025 0.000 1.019 113 N CA 1.478 54.528 53.050 -0.000 0.000 0.856 113 N CB -0.546 37.926 38.487 -0.026 0.000 0.993 113 N HN 0.479 nan 8.380 nan 0.000 0.426 114 A N 1.416 124.236 122.820 -0.000 0.000 1.898 114 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 114 A C 2.137 179.731 177.584 0.017 0.000 1.181 114 A CA 1.242 53.280 52.037 0.001 0.000 0.620 114 A CB -0.316 18.671 19.000 -0.022 0.000 0.819 114 A HN 0.218 nan 8.150 nan 0.000 0.442 115 K N -1.484 118.933 120.400 0.028 0.000 2.097 115 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 115 K C 1.997 178.636 176.600 0.066 0.000 1.049 115 K CA 1.632 57.923 56.287 0.006 0.000 0.933 115 K CB -0.227 32.247 32.500 -0.044 0.000 0.717 115 K HN 0.485 nan 8.250 nan 0.000 0.442 116 M N 0.779 120.469 119.600 0.150 0.000 2.175 116 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 116 M C 1.736 178.100 176.300 0.106 0.000 1.063 116 M CA 1.782 57.181 55.300 0.165 0.000 1.119 116 M CB -0.334 32.374 32.600 0.181 0.000 1.377 116 M HN -0.064 nan 8.290 nan 0.000 0.415 117 T N -0.241 114.356 114.554 0.072 0.000 2.788 117 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 117 T C 1.852 176.580 174.700 0.046 0.000 1.044 117 T CA 1.581 63.710 62.100 0.048 0.000 1.139 117 T CB -0.420 68.466 68.868 0.029 0.000 0.867 117 T HN 0.238 nan 8.240 nan 0.000 0.454 118 V N 1.003 120.951 119.914 0.056 0.000 2.358 118 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 118 V C 2.631 178.831 176.094 0.177 0.000 1.047 118 V CA 1.175 63.533 62.300 0.096 0.000 1.035 118 V CB -0.630 31.247 31.823 0.090 0.000 0.658 118 V HN 0.294 nan 8.190 nan 0.000 0.452 119 V N -0.102 119.874 119.914 0.104 0.000 2.287 119 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 119 V C 2.459 178.581 176.094 0.048 0.000 1.053 119 V CA 2.232 64.574 62.300 0.070 0.000 1.027 119 V CB -0.655 31.199 31.823 0.052 0.000 0.646 119 V HN 0.555 nan 8.190 nan 0.000 0.447 120 K N -0.457 119.953 120.400 0.016 0.000 2.147 120 K HA -0.224 4.096 4.320 -0.000 0.000 0.205 120 K C 1.893 178.475 176.600 -0.029 0.000 1.049 120 K CA 1.733 57.985 56.287 -0.059 0.000 0.936 120 K CB -0.263 32.219 32.500 -0.029 0.000 0.722 120 K HN 0.521 nan 8.250 nan 0.000 0.446 121 D N -0.097 120.306 120.400 0.005 0.000 2.144 121 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 121 D C 1.547 177.815 176.300 -0.053 0.000 0.978 121 D CA 1.073 55.049 54.000 -0.040 0.000 0.833 121 D CB 0.051 40.804 40.800 -0.078 0.000 0.961 121 D HN 0.177 nan 8.370 nan 0.000 0.470 122 Y N 0.151 120.417 120.300 -0.058 0.000 2.224 122 Y HA -0.047 4.503 4.550 -0.000 0.000 0.289 122 Y C 2.171 178.051 175.900 -0.032 0.000 1.146 122 Y CA 0.869 58.938 58.100 -0.051 0.000 1.182 122 Y CB -0.074 38.339 38.460 -0.078 0.000 0.983 122 Y HN 0.041 nan 8.280 nan 0.000 0.524 123 L N -0.586 120.683 121.223 0.078 0.000 2.093 123 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 123 L C 2.158 179.069 176.870 0.068 0.000 1.085 123 L CA 1.481 56.334 54.840 0.021 0.000 0.755 123 L CB -0.447 41.506 42.059 -0.176 0.000 0.904 123 L HN 0.165 nan 8.230 nan 0.000 0.435 124 D N -0.165 120.241 120.400 0.010 0.000 2.117 124 D HA -0.213 4.427 4.640 -0.000 0.000 0.197 124 D C 2.221 178.530 176.300 0.016 0.000 0.987 124 D CA 1.391 55.393 54.000 0.002 0.000 0.829 124 D CB 0.095 40.880 40.800 -0.025 0.000 0.961 124 D HN 0.301 nan 8.370 nan 0.000 0.460 125 Q N -1.309 118.498 119.800 0.011 0.000 2.084 125 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 125 Q C 2.023 178.060 176.000 0.062 0.000 0.978 125 Q CA 1.259 57.063 55.803 0.003 0.000 0.844 125 Q CB -0.316 28.395 28.738 -0.046 0.000 0.898 125 Q HN 0.472 nan 8.270 nan 0.000 0.426 126 Y N 1.487 121.801 120.300 0.023 0.000 2.114 126 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 126 Y C 2.326 178.302 175.900 0.128 0.000 1.143 126 Y CA 1.954 60.098 58.100 0.073 0.000 1.135 126 Y CB -0.567 37.935 38.460 0.069 0.000 0.980 126 Y HN -0.046 nan 8.280 nan 0.000 0.499 127 T N -0.274 114.267 114.554 -0.022 0.000 2.720 127 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 127 T C 1.760 176.451 174.700 -0.015 0.000 1.037 127 T CA 2.172 64.241 62.100 -0.051 0.000 1.144 127 T CB -0.664 68.231 68.868 0.045 0.000 0.864 127 T HN 0.452 nan 8.240 nan 0.000 0.444 128 T N 1.833 116.374 114.554 -0.022 0.000 2.708 128 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 128 T C 2.020 176.683 174.700 -0.061 0.000 1.037 128 T CA 1.150 63.230 62.100 -0.033 0.000 1.146 128 T CB -0.173 68.671 68.868 -0.039 0.000 0.865 128 T HN 0.431 nan 8.240 nan 0.000 0.435 129 K N -0.001 120.354 120.400 -0.075 0.000 2.155 129 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 129 K C 1.965 178.533 176.600 -0.053 0.000 1.052 129 K CA 0.801 57.035 56.287 -0.089 0.000 0.948 129 K CB -0.245 32.210 32.500 -0.074 0.000 0.728 129 K HN 0.284 nan 8.250 nan 0.000 0.448 130 F N 2.788 122.597 119.950 -0.234 0.000 2.113 130 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 130 F C 1.733 177.580 175.800 0.079 0.000 1.103 130 F CA 1.421 59.366 58.000 -0.092 0.000 1.248 130 F CB -0.185 38.605 39.000 -0.350 0.000 0.999 130 F HN -0.005 nan 8.300 nan 0.000 0.475 131 N N -0.041 118.689 118.700 0.050 0.000 2.104 131 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 131 N C 1.831 177.247 175.510 -0.158 0.000 1.024 131 N CA 2.015 55.037 53.050 -0.047 0.000 0.853 131 N CB -1.007 37.492 38.487 0.020 0.000 1.008 131 N HN 0.317 nan 8.380 nan 0.000 0.424 132 T N -0.013 114.434 114.554 -0.178 0.000 2.746 132 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 132 T C 1.508 176.031 174.700 -0.295 0.000 1.039 132 T CA 1.131 63.032 62.100 -0.332 0.000 1.142 132 T CB -0.333 68.228 68.868 -0.512 0.000 0.866 132 T HN 0.460 nan 8.240 nan 0.000 0.444 133 W N 2.486 123.597 121.300 -0.315 0.000 2.358 133 W HA -0.062 4.598 4.660 -0.000 0.000 0.303 133 W C 1.913 178.352 176.519 -0.134 0.000 1.208 133 W CA 0.833 58.107 57.345 -0.118 0.000 1.274 133 W CB -0.176 29.220 29.460 -0.107 0.000 1.138 133 W HN -0.067 nan 8.180 nan 0.000 0.515 134 K N 0.586 120.642 120.400 -0.573 0.000 2.103 134 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 134 K C 1.991 178.305 176.600 -0.478 0.000 1.048 134 K CA 1.711 57.540 56.287 -0.763 0.000 0.930 134 K CB -0.657 31.494 32.500 -0.583 0.000 0.716 134 K HN 0.345 nan 8.250 nan 0.000 0.444 135 R N 0.468 120.794 120.500 -0.291 0.000 2.189 135 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 135 R C 0.711 176.936 176.300 -0.124 0.000 1.092 135 R CA 0.659 56.657 56.100 -0.170 0.000 0.989 135 R CB 0.149 30.385 30.300 -0.107 0.000 0.876 135 R HN 0.225 nan 8.270 nan 0.000 0.457 136 E N -0.576 119.559 120.200 -0.109 0.000 3.544 136 E HA 0.138 4.488 4.350 -0.000 0.000 0.264 136 E C -2.270 174.266 176.600 -0.107 0.000 1.225 136 E CA -1.514 54.868 56.400 -0.031 0.000 1.045 136 E CB 1.019 30.815 29.700 0.161 0.000 1.338 136 E HN -0.101 nan 8.360 nan 0.000 0.395 137 P HA -0.190 nan 4.420 nan 0.000 0.217 137 P C 0.766 178.078 177.300 0.019 0.000 1.148 137 P CA 1.076 63.869 63.100 -0.512 0.000 0.834 137 P CB 0.210 31.604 31.700 -0.510 0.000 0.783 138 N N -1.625 117.073 118.700 -0.004 0.000 2.467 138 N HA -0.048 4.692 4.740 -0.000 0.000 0.184 138 N C 0.553 176.081 175.510 0.029 0.000 1.106 138 N CA 0.335 53.411 53.050 0.043 0.000 0.892 138 N CB -0.675 37.810 38.487 -0.003 0.000 0.969 138 N HN 0.184 nan 8.380 nan 0.000 0.454 139 N N 2.026 120.723 118.700 -0.004 0.000 2.406 139 N HA -0.066 4.674 4.740 -0.000 0.000 0.265 139 N C 1.033 176.527 175.510 -0.026 0.000 1.203 139 N CA 0.159 53.118 53.050 -0.151 0.000 0.945 139 N CB 1.220 39.370 38.487 -0.560 0.000 1.165 139 N HN 0.026 nan 8.380 nan 0.000 0.485 140 Q N 2.709 122.488 119.800 -0.035 0.000 2.135 140 Q HA -0.094 4.246 4.340 -0.000 0.000 0.204 140 Q C 1.337 177.338 176.000 0.002 0.000 0.981 140 Q CA 1.773 57.580 55.803 0.007 0.000 0.856 140 Q CB -0.050 28.682 28.738 -0.011 0.000 0.902 140 Q HN 0.631 nan 8.270 nan 0.000 0.425 141 S N -0.910 114.760 115.700 -0.050 0.000 2.368 141 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 141 S C 1.667 176.357 174.600 0.149 0.000 1.029 141 S CA 1.148 59.351 58.200 0.005 0.000 0.988 141 S CB -0.450 62.728 63.200 -0.037 0.000 0.838 141 S HN 0.537 nan 8.310 nan 0.000 0.462 142 Y N 1.192 121.525 120.300 0.055 0.000 2.200 142 Y HA -0.086 4.464 4.550 -0.000 0.000 0.290 142 Y C 2.867 178.786 175.900 0.033 0.000 1.137 142 Y CA 0.781 58.935 58.100 0.089 0.000 1.163 142 Y CB -0.158 38.415 38.460 0.188 0.000 0.988 142 Y HN 0.149 nan 8.280 nan 0.000 0.518 143 R N 0.364 120.992 120.500 0.214 0.000 2.073 143 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 143 R C 2.096 178.224 176.300 -0.287 0.000 1.134 143 R CA 2.100 58.099 56.100 -0.167 0.000 0.952 143 R CB -0.455 29.856 30.300 0.019 0.000 0.850 143 R HN 0.145 nan 8.270 nan 0.000 0.433 144 T N 0.645 115.127 114.554 -0.119 0.000 2.746 144 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 144 T C 1.786 176.406 174.700 -0.133 0.000 1.039 144 T CA 1.361 63.387 62.100 -0.123 0.000 1.142 144 T CB -0.301 68.537 68.868 -0.050 0.000 0.866 144 T HN 0.480 nan 8.240 nan 0.000 0.444 145 A N 0.695 123.470 122.820 -0.075 0.000 1.877 145 A HA -0.044 4.275 4.320 -0.000 0.000 0.216 145 A C 2.571 180.080 177.584 -0.124 0.000 1.186 145 A CA 1.528 53.529 52.037 -0.059 0.000 0.620 145 A CB -1.120 17.884 19.000 0.008 0.000 0.822 145 A HN 0.353 nan 8.150 nan 0.000 0.443 146 V N 0.063 119.836 119.914 -0.235 0.000 2.427 146 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 146 V C 2.241 178.064 176.094 -0.451 0.000 1.051 146 V CA 1.929 64.035 62.300 -0.324 0.000 1.048 146 V CB -0.396 31.152 31.823 -0.458 0.000 0.666 146 V HN 0.569 nan 8.190 nan 0.000 0.456 147 I N -0.207 119.976 120.570 -0.644 0.000 2.252 147 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 147 I C 2.500 178.531 176.117 -0.144 0.000 1.102 147 I CA 2.023 62.996 61.300 -0.545 0.000 1.385 147 I CB -0.742 36.977 38.000 -0.468 0.000 1.064 147 I HN 0.292 nan 8.210 nan 0.000 0.414 148 T N -0.255 114.231 114.554 -0.113 0.000 2.746 148 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 148 T C 1.849 176.562 174.700 0.022 0.000 1.039 148 T CA 1.511 63.594 62.100 -0.029 0.000 1.142 148 T CB -0.227 68.623 68.868 -0.031 0.000 0.866 148 T HN 0.223 nan 8.240 nan 0.000 0.444 149 Q N 0.224 120.048 119.800 0.040 0.000 2.119 149 Q HA 0.006 4.346 4.340 -0.000 0.000 0.201 149 Q C 1.820 177.923 176.000 0.172 0.000 0.972 149 Q CA 1.232 57.105 55.803 0.118 0.000 0.847 149 Q CB -0.645 28.178 28.738 0.141 0.000 0.903 149 Q HN 0.575 nan 8.270 nan 0.000 0.433 150 F N 0.585 120.576 119.950 0.067 0.000 2.095 150 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 150 F C 1.621 177.395 175.800 -0.042 0.000 1.104 150 F CA 1.751 59.753 58.000 0.004 0.000 1.232 150 F CB -0.347 38.638 39.000 -0.025 0.000 0.987 150 F HN 0.168 nan 8.300 nan 0.000 0.475 151 N N 0.835 119.532 118.700 -0.005 0.000 2.120 151 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 151 N C 2.068 177.491 175.510 -0.144 0.000 1.024 151 N CA 1.758 54.756 53.050 -0.086 0.000 0.852 151 N CB -0.623 37.886 38.487 0.036 0.000 1.003 151 N HN 0.368 nan 8.380 nan 0.000 0.424 152 L N 0.498 121.683 121.223 -0.063 0.000 2.027 152 L HA -0.105 4.234 4.340 -0.000 0.000 0.206 152 L C 2.255 179.047 176.870 -0.130 0.000 1.074 152 L CA 1.119 55.939 54.840 -0.033 0.000 0.745 152 L CB -0.836 41.288 42.059 0.108 0.000 0.898 152 L HN 0.124 nan 8.230 nan 0.000 0.433 153 T N -0.987 113.516 114.554 -0.085 0.000 2.746 153 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 153 T C 2.165 176.657 174.700 -0.347 0.000 1.039 153 T CA 1.583 63.586 62.100 -0.162 0.000 1.142 153 T CB -0.085 68.749 68.868 -0.056 0.000 0.866 153 T HN 0.233 nan 8.240 nan 0.000 0.444 154 S N 1.291 116.708 115.700 -0.471 0.000 2.368 154 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 154 S C 2.577 177.005 174.600 -0.287 0.000 1.030 154 S CA 0.964 58.881 58.200 -0.471 0.000 0.999 154 S CB -0.529 62.234 63.200 -0.727 0.000 0.844 154 S HN 0.594 nan 8.310 nan 0.000 0.459 155 A N 1.568 124.232 122.820 -0.261 0.000 1.902 155 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 155 A C 2.020 179.454 177.584 -0.250 0.000 1.181 155 A CA 1.985 53.904 52.037 -0.195 0.000 0.623 155 A CB -0.510 18.394 19.000 -0.160 0.000 0.818 155 A HN 0.356 nan 8.150 nan 0.000 0.443 156 K N -0.033 120.138 120.400 -0.383 0.000 2.097 156 K HA 0.039 4.359 4.320 -0.000 0.000 0.205 156 K C 1.747 178.133 176.600 -0.356 0.000 1.050 156 K CA 1.252 57.244 56.287 -0.491 0.000 0.938 156 K CB -0.544 31.363 32.500 -0.989 0.000 0.718 156 K HN 0.470 nan 8.250 nan 0.000 0.442 157 L N 0.062 121.110 121.223 -0.293 0.000 2.027 157 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 157 L C 2.563 179.322 176.870 -0.184 0.000 1.074 157 L CA 1.402 56.122 54.840 -0.201 0.000 0.745 157 L CB -0.407 41.562 42.059 -0.149 0.000 0.898 157 L HN 0.156 nan 8.230 nan 0.000 0.433 158 R N 0.830 121.237 120.500 -0.154 0.000 2.073 158 R HA -0.234 4.106 4.340 -0.000 0.000 0.234 158 R C 2.129 178.335 176.300 -0.157 0.000 1.134 158 R CA 2.095 58.113 56.100 -0.137 0.000 0.952 158 R CB -0.580 29.674 30.300 -0.076 0.000 0.850 158 R HN 0.478 nan 8.270 nan 0.000 0.433 159 E N -0.906 119.195 120.200 -0.166 0.000 2.085 159 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 159 E C 1.221 177.707 176.600 -0.190 0.000 0.994 159 E CA 1.957 58.262 56.400 -0.157 0.000 0.801 159 E CB -0.171 29.424 29.700 -0.175 0.000 0.743 159 E HN 0.431 nan 8.360 nan 0.000 0.453 160 T N 0.553 114.942 114.554 -0.276 0.000 2.821 160 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 160 T C 1.876 176.343 174.700 -0.389 0.000 1.046 160 T CA 1.165 63.001 62.100 -0.440 0.000 1.139 160 T CB -0.244 68.350 68.868 -0.458 0.000 0.871 160 T HN 0.379 nan 8.240 nan 0.000 0.454 161 A N 1.077 123.763 122.820 -0.223 0.000 1.902 161 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 161 A C 2.568 180.190 177.584 0.064 0.000 1.181 161 A CA 1.258 53.221 52.037 -0.122 0.000 0.623 161 A CB -0.995 17.775 19.000 -0.384 0.000 0.818 161 A HN 0.349 nan 8.150 nan 0.000 0.443 162 V N -1.459 118.443 119.914 -0.020 0.000 2.295 162 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 162 V C 2.332 178.412 176.094 -0.023 0.000 1.049 162 V CA 2.126 64.419 62.300 -0.012 0.000 1.024 162 V CB -1.043 30.756 31.823 -0.040 0.000 0.648 162 V HN 0.707 nan 8.190 nan 0.000 0.447 163 Y N 0.282 120.486 120.300 -0.160 0.000 2.097 163 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 163 Y C 2.207 178.091 175.900 -0.026 0.000 1.152 163 Y CA 1.778 59.784 58.100 -0.155 0.000 1.136 163 Y CB -0.461 37.821 38.460 -0.296 0.000 0.975 163 Y HN 0.228 nan 8.280 nan 0.000 0.498 164 F N -0.422 119.577 119.950 0.082 0.000 2.408 164 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 164 F C 2.170 177.838 175.800 -0.220 0.000 1.090 164 F CA 0.630 58.627 58.000 -0.005 0.000 1.427 164 F CB -0.144 38.942 39.000 0.144 0.000 1.070 164 F HN 0.210 nan 8.300 nan 0.000 0.549 165 S N -2.140 113.469 115.700 -0.151 0.000 2.539 165 S HA 0.117 4.587 4.470 -0.000 0.000 0.221 165 S C 0.639 175.039 174.600 -0.334 0.000 0.987 165 S CA -0.368 57.485 58.200 -0.578 0.000 0.929 165 S CB -0.050 62.462 63.200 -1.148 0.000 0.832 165 S HN 0.255 nan 8.310 nan 0.000 0.492 166 N N 1.061 119.614 118.700 -0.246 0.000 2.299 166 N HA 0.248 4.988 4.740 -0.000 0.000 0.246 166 N C -1.207 174.158 175.510 -0.242 0.000 1.254 166 N CA -0.078 52.857 53.050 -0.193 0.000 0.879 166 N CB 1.188 39.590 38.487 -0.141 0.000 1.214 166 N HN 0.277 nan 8.380 nan 0.000 0.510 167 L N 2.295 123.345 121.223 -0.288 0.000 2.314 167 L HA 0.317 4.657 4.340 -0.000 0.000 0.275 167 L C -0.276 176.557 176.870 -0.062 0.000 1.068 167 L CA -0.468 54.227 54.840 -0.242 0.000 0.894 167 L CB 0.669 42.532 42.059 -0.326 0.000 1.275 167 L HN -0.206 nan 8.230 nan 0.000 0.432 168 V N 5.764 125.649 119.914 -0.048 0.000 2.509 168 V HA 0.287 4.407 4.120 -0.000 0.000 0.297 168 V C 1.465 177.500 176.094 -0.099 0.000 1.014 168 V CA 1.244 63.511 62.300 -0.056 0.000 1.127 168 V CB 0.044 31.854 31.823 -0.021 0.000 0.925 168 V HN 1.043 nan 8.190 nan 0.000 0.480 169 G N 4.207 112.859 108.800 -0.247 0.000 2.195 169 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.224 169 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.224 169 G C 0.121 174.549 174.900 -0.787 0.000 0.990 169 G CA 0.350 45.163 45.100 -0.479 0.000 0.639 169 G HN 0.760 nan 8.290 nan 0.000 0.514 170 Y N 0.510 120.643 120.300 -0.279 0.000 2.641 170 Y HA 0.432 4.982 4.550 -0.000 0.000 0.248 170 Y C 1.921 177.557 175.900 -0.439 0.000 1.170 170 Y CA 0.322 58.238 58.100 -0.308 0.000 1.201 170 Y CB 0.495 38.820 38.460 -0.225 0.000 1.232 170 Y HN 0.254 nan 8.280 nan 0.000 0.537 171 E N 0.699 120.551 120.200 -0.581 0.000 2.070 171 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 171 E C 1.881 178.050 176.600 -0.718 0.000 1.004 171 E CA 1.526 57.383 56.400 -0.905 0.000 0.805 171 E CB -0.218 28.225 29.700 -2.096 0.000 0.744 171 E HN 0.336 nan 8.360 nan 0.000 0.451 172 L N 0.169 121.025 121.223 -0.611 0.000 2.056 172 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 172 L C 2.112 178.772 176.870 -0.349 0.000 1.078 172 L CA 1.203 55.844 54.840 -0.331 0.000 0.749 172 L CB -0.487 41.407 42.059 -0.274 0.000 0.901 172 L HN 0.202 nan 8.230 nan 0.000 0.433 173 L N -0.734 120.274 121.223 -0.358 0.000 2.042 173 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 173 L C 1.935 178.625 176.870 -0.299 0.000 1.076 173 L CA 1.912 56.556 54.840 -0.326 0.000 0.749 173 L CB -0.443 41.504 42.059 -0.187 0.000 0.893 173 L HN 0.271 nan 8.230 nan 0.000 0.432 174 L N -1.172 119.886 121.223 -0.275 0.000 2.592 174 L HA -0.002 4.338 4.340 -0.000 0.000 0.227 174 L C 1.998 178.740 176.870 -0.213 0.000 1.127 174 L CA -0.352 54.303 54.840 -0.308 0.000 0.884 174 L CB -0.219 41.644 42.059 -0.327 0.000 1.065 174 L HN 0.278 nan 8.230 nan 0.000 0.457 175 L N 1.215 122.339 121.223 -0.165 0.000 2.042 175 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 175 L C -0.372 176.536 176.870 0.063 0.000 1.076 175 L CA 2.226 57.056 54.840 -0.016 0.000 0.749 175 L CB -1.103 40.956 42.059 0.001 0.000 0.893 175 L HN 0.115 nan 8.230 nan 0.000 0.432 176 P HA -0.165 nan 4.420 nan 0.000 0.215 176 P C 2.116 179.400 177.300 -0.028 0.000 1.157 176 P CA 1.521 64.634 63.100 0.022 0.000 0.863 176 P CB -0.002 31.734 31.700 0.060 0.000 0.787 177 I N -2.108 118.395 120.570 -0.111 0.000 2.394 177 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 177 I C 2.286 178.370 176.117 -0.054 0.000 1.136 177 I CA 1.089 62.293 61.300 -0.160 0.000 1.425 177 I CB -0.229 37.539 38.000 -0.387 0.000 1.079 177 I HN -0.109 nan 8.210 nan 0.000 0.425 178 Y N 1.585 121.798 120.300 -0.145 0.000 2.181 178 Y HA -0.274 4.276 4.550 -0.000 0.000 0.288 178 Y C 2.353 178.223 175.900 -0.050 0.000 1.146 178 Y CA 1.709 59.813 58.100 0.006 0.000 1.164 178 Y CB -0.560 37.911 38.460 0.019 0.000 0.982 178 Y HN 0.198 nan 8.280 nan 0.000 0.515 179 A N 0.371 123.199 122.820 0.014 0.000 1.933 179 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 179 A C 2.111 179.586 177.584 -0.182 0.000 1.175 179 A CA 1.772 53.758 52.037 -0.084 0.000 0.628 179 A CB -0.608 18.398 19.000 0.010 0.000 0.814 179 A HN 0.583 nan 8.150 nan 0.000 0.444 180 Q N -0.238 119.442 119.800 -0.201 0.000 2.050 180 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 180 Q C 2.466 178.163 176.000 -0.505 0.000 0.980 180 Q CA 2.055 57.631 55.803 -0.379 0.000 0.840 180 Q CB -0.933 27.634 28.738 -0.285 0.000 0.898 180 Q HN 0.765 nan 8.270 nan 0.000 0.424 181 V N -1.637 118.131 119.914 -0.243 0.000 2.427 181 V HA -0.046 4.074 4.120 -0.000 0.000 0.248 181 V C 2.267 178.176 176.094 -0.308 0.000 1.051 181 V CA 1.651 63.872 62.300 -0.131 0.000 1.048 181 V CB -1.279 30.532 31.823 -0.020 0.000 0.666 181 V HN 0.178 nan 8.190 nan 0.000 0.456 182 A N 0.979 123.445 122.820 -0.589 0.000 1.902 182 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 182 A C 2.319 179.680 177.584 -0.371 0.000 1.181 182 A CA 2.189 53.708 52.037 -0.864 0.000 0.623 182 A CB -1.144 17.146 19.000 -1.183 0.000 0.818 182 A HN 0.713 nan 8.150 nan 0.000 0.443 183 N N -1.030 117.566 118.700 -0.173 0.000 2.069 183 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 183 N C 1.771 177.296 175.510 0.025 0.000 1.031 183 N CA 1.646 54.728 53.050 0.054 0.000 0.852 183 N CB -0.273 38.222 38.487 0.013 0.000 1.018 183 N HN 0.574 nan 8.380 nan 0.000 0.423 184 F N 1.070 120.993 119.950 -0.044 0.000 2.134 184 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 184 F C 2.572 178.302 175.800 -0.117 0.000 1.097 184 F CA 0.737 58.691 58.000 -0.078 0.000 1.264 184 F CB -0.382 38.575 39.000 -0.072 0.000 1.001 184 F HN 0.236 nan 8.300 nan 0.000 0.479 185 N N 0.980 119.717 118.700 0.062 0.000 2.069 185 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 185 N C 1.862 177.389 175.510 0.028 0.000 1.031 185 N CA 0.938 53.996 53.050 0.014 0.000 0.852 185 N CB -0.091 38.407 38.487 0.018 0.000 1.018 185 N HN 0.207 nan 8.380 nan 0.000 0.423 186 L N 0.688 121.914 121.223 0.004 0.000 2.093 186 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 186 L C 2.291 179.117 176.870 -0.072 0.000 1.085 186 L CA 0.598 55.432 54.840 -0.010 0.000 0.755 186 L CB -0.354 41.661 42.059 -0.073 0.000 0.904 186 L HN 0.270 nan 8.230 nan 0.000 0.435 187 L N -0.651 120.471 121.223 -0.169 0.000 2.083 187 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 187 L C 2.520 179.314 176.870 -0.128 0.000 1.083 187 L CA 0.711 55.374 54.840 -0.295 0.000 0.752 187 L CB -0.325 41.587 42.059 -0.246 0.000 0.899 187 L HN 0.258 nan 8.230 nan 0.000 0.433 188 L N 0.006 121.184 121.223 -0.076 0.000 2.027 188 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 188 L C 2.282 179.217 176.870 0.107 0.000 1.074 188 L CA 1.679 56.474 54.840 -0.075 0.000 0.745 188 L CB -0.324 41.609 42.059 -0.210 0.000 0.898 188 L HN 0.082 nan 8.230 nan 0.000 0.433 189 I N -0.515 120.109 120.570 0.089 0.000 2.286 189 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 189 I C 2.706 178.900 176.117 0.127 0.000 1.115 189 I CA 1.435 62.845 61.300 0.184 0.000 1.392 189 I CB -0.405 37.646 38.000 0.085 0.000 1.065 189 I HN 0.347 nan 8.210 nan 0.000 0.418 190 R N 1.121 121.650 120.500 0.048 0.000 2.091 190 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 190 R C 1.802 178.100 176.300 -0.004 0.000 1.136 190 R CA 2.278 58.394 56.100 0.026 0.000 0.959 190 R CB -0.252 30.030 30.300 -0.030 0.000 0.856 190 R HN 0.244 nan 8.270 nan 0.000 0.437 191 D N -0.773 119.625 120.400 -0.003 0.000 2.117 191 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 191 D C 1.725 177.928 176.300 -0.161 0.000 0.987 191 D CA 1.608 55.587 54.000 -0.036 0.000 0.829 191 D CB -0.378 40.450 40.800 0.045 0.000 0.961 191 D HN 0.492 nan 8.370 nan 0.000 0.460 192 G N 0.044 108.766 108.800 -0.131 0.000 2.422 192 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 192 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 192 G C 1.654 176.350 174.900 -0.341 0.000 1.146 192 G CA 0.324 45.130 45.100 -0.490 0.000 0.769 192 G HN 0.261 nan 8.290 nan 0.000 0.547 193 L N 0.043 121.185 121.223 -0.135 0.000 2.056 193 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 193 L C 2.829 179.613 176.870 -0.144 0.000 1.078 193 L CA 0.595 55.384 54.840 -0.086 0.000 0.749 193 L CB -0.324 41.753 42.059 0.029 0.000 0.901 193 L HN 0.188 nan 8.230 nan 0.000 0.433 194 I N 0.211 120.689 120.570 -0.152 0.000 2.286 194 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 194 I C 1.111 177.088 176.117 -0.234 0.000 1.115 194 I CA 1.623 62.840 61.300 -0.138 0.000 1.392 194 I CB -0.283 37.667 38.000 -0.083 0.000 1.065 194 I HN 0.363 nan 8.210 nan 0.000 0.418 195 N N 0.374 118.784 118.700 -0.484 0.000 2.235 195 N HA 0.220 4.960 4.740 -0.000 0.000 0.209 195 N C 1.501 176.543 175.510 -0.779 0.000 1.122 195 N CA 0.453 53.035 53.050 -0.780 0.000 0.845 195 N CB 0.365 37.914 38.487 -1.562 0.000 1.004 195 N HN 0.195 nan 8.380 nan 0.000 0.499 196 A N 1.131 123.689 122.820 -0.438 0.000 1.892 196 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 196 A C 2.143 179.658 177.584 -0.116 0.000 1.188 196 A CA 1.712 53.619 52.037 -0.217 0.000 0.631 196 A CB -0.632 18.295 19.000 -0.122 0.000 0.822 196 A HN 0.445 nan 8.150 nan 0.000 0.447 197 Q N -0.535 119.200 119.800 -0.109 0.000 2.020 197 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 197 Q C 1.991 177.992 176.000 0.002 0.000 0.982 197 Q CA 1.889 57.668 55.803 -0.041 0.000 0.838 197 Q CB -0.228 28.487 28.738 -0.037 0.000 0.899 197 Q HN 0.764 nan 8.270 nan 0.000 0.423 198 E N -0.665 119.527 120.200 -0.014 0.000 2.110 198 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 198 E C 1.737 178.472 176.600 0.226 0.000 0.988 198 E CA 0.997 57.471 56.400 0.124 0.000 0.804 198 E CB -0.095 29.753 29.700 0.247 0.000 0.745 198 E HN 0.558 nan 8.360 nan 0.000 0.458 199 W N 1.483 122.746 121.300 -0.061 0.000 2.409 199 W HA -0.013 4.647 4.660 -0.000 0.000 0.299 199 W C 1.676 178.146 176.519 -0.081 0.000 1.203 199 W CA 0.479 57.731 57.345 -0.154 0.000 1.298 199 W CB -1.103 28.198 29.460 -0.265 0.000 1.127 199 W HN -0.123 nan 8.180 nan 0.000 0.528 200 S N 0.516 116.318 115.700 0.170 0.000 2.600 200 S HA 0.269 4.739 4.470 -0.000 0.000 0.265 200 S C 0.885 175.530 174.600 0.075 0.000 1.325 200 S CA -0.368 57.889 58.200 0.095 0.000 1.002 200 S CB 1.230 64.468 63.200 0.063 0.000 0.921 200 S HN 0.128 nan 8.310 nan 0.000 0.554 201 L N 0.376 121.631 121.223 0.054 0.000 2.470 201 L HA 0.260 4.599 4.340 -0.000 0.000 0.219 201 L C 2.453 179.343 176.870 0.033 0.000 1.071 201 L CA 0.693 55.559 54.840 0.044 0.000 0.850 201 L CB -0.520 41.560 42.059 0.035 0.000 1.040 201 L HN 0.877 nan 8.230 nan 0.000 0.475 202 A N -0.345 122.493 122.820 0.029 0.000 2.169 202 A HA 0.183 4.503 4.320 -0.000 0.000 0.210 202 A C 0.789 178.383 177.584 0.018 0.000 1.168 202 A CA -0.166 51.884 52.037 0.021 0.000 0.813 202 A CB 0.111 19.122 19.000 0.019 0.000 0.861 202 A HN 0.303 nan 8.150 nan 0.000 0.481 203 R N -1.880 118.633 120.500 0.021 0.000 3.777 203 R HA -0.201 4.139 4.340 -0.000 0.000 0.525 203 R C 0.770 177.072 176.300 0.003 0.000 0.241 203 R CA 0.775 56.881 56.100 0.011 0.000 1.635 203 R CB -1.601 28.703 30.300 0.007 0.000 1.033 203 R HN 1.490 nan 8.270 nan 0.000 0.552 204 S N -2.943 112.752 115.700 -0.009 0.000 3.270 204 S HA -0.303 4.167 4.470 -0.000 0.000 0.330 204 S C 0.705 175.302 174.600 -0.005 0.000 1.222 204 S CA 1.523 59.714 58.200 -0.015 0.000 0.971 204 S CB -1.459 61.732 63.200 -0.014 0.000 1.007 204 S HN 1.408 nan 8.310 nan 0.000 0.614 205 A N 0.397 123.219 122.820 0.004 0.000 2.276 205 A HA 0.621 4.941 4.320 -0.000 0.000 0.212 205 A C 1.896 179.492 177.584 0.021 0.000 1.230 205 A CA 0.645 52.692 52.037 0.017 0.000 0.844 205 A CB -0.938 18.078 19.000 0.027 0.000 0.860 205 A HN 1.247 nan 8.150 nan 0.000 0.486 206 G N -0.613 108.192 108.800 0.008 0.000 2.712 206 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.212 206 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.212 206 G C 0.808 175.744 174.900 0.060 0.000 1.142 206 G CA 0.695 45.808 45.100 0.021 0.000 0.789 206 G HN 0.398 nan 8.290 nan 0.000 0.535 207 D N 0.699 121.125 120.400 0.044 0.000 2.104 207 D HA -0.103 4.537 4.640 -0.000 0.000 0.194 207 D C 2.580 178.943 176.300 0.104 0.000 0.994 207 D CA 0.878 54.924 54.000 0.076 0.000 0.830 207 D CB 0.025 40.849 40.800 0.040 0.000 0.959 207 D HN 0.131 nan 8.370 nan 0.000 0.452 208 Q N -0.079 119.757 119.800 0.060 0.000 2.079 208 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 208 Q C 2.347 178.358 176.000 0.019 0.000 0.974 208 Q CA 0.432 56.256 55.803 0.035 0.000 0.840 208 Q CB -0.635 28.117 28.738 0.024 0.000 0.898 208 Q HN 0.279 nan 8.270 nan 0.000 0.430 209 L N -0.056 121.192 121.223 0.042 0.000 2.083 209 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 209 L C 2.226 179.107 176.870 0.019 0.000 1.083 209 L CA 1.603 56.459 54.840 0.027 0.000 0.752 209 L CB -0.791 41.315 42.059 0.078 0.000 0.899 209 L HN 0.158 nan 8.230 nan 0.000 0.433 210 Y N 0.422 120.698 120.300 -0.039 0.000 2.181 210 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 210 Y C 2.384 178.254 175.900 -0.050 0.000 1.146 210 Y CA 1.983 60.064 58.100 -0.033 0.000 1.164 210 Y CB -0.345 38.108 38.460 -0.013 0.000 0.982 210 Y HN 0.344 nan 8.280 nan 0.000 0.515 211 N N -0.702 117.958 118.700 -0.065 0.000 2.166 211 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 211 N C 1.770 177.130 175.510 -0.250 0.000 1.019 211 N CA 1.856 54.816 53.050 -0.150 0.000 0.856 211 N CB -0.741 37.724 38.487 -0.037 0.000 0.993 211 N HN 0.369 nan 8.380 nan 0.000 0.426 212 T N 1.594 115.981 114.554 -0.279 0.000 2.708 212 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 212 T C 1.922 176.236 174.700 -0.644 0.000 1.037 212 T CA 0.872 62.664 62.100 -0.512 0.000 1.146 212 T CB -0.125 68.427 68.868 -0.528 0.000 0.865 212 T HN 0.230 nan 8.240 nan 0.000 0.435 213 M N 0.856 120.196 119.600 -0.434 0.000 2.108 213 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 213 M C 2.139 178.251 176.300 -0.314 0.000 1.066 213 M CA 1.577 56.679 55.300 -0.329 0.000 1.107 213 M CB -0.267 32.211 32.600 -0.202 0.000 1.356 213 M HN 0.090 nan 8.290 nan 0.000 0.406 214 V N 0.575 120.259 119.914 -0.383 0.000 2.343 214 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 214 V C 2.380 178.369 176.094 -0.175 0.000 1.051 214 V CA 2.299 64.441 62.300 -0.263 0.000 1.036 214 V CB -1.054 30.594 31.823 -0.293 0.000 0.654 214 V HN 0.644 nan 8.190 nan 0.000 0.451 215 Q N -0.908 118.778 119.800 -0.189 0.000 2.050 215 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 215 Q C 2.322 178.284 176.000 -0.062 0.000 0.980 215 Q CA 2.073 57.815 55.803 -0.100 0.000 0.840 215 Q CB -0.219 28.462 28.738 -0.094 0.000 0.898 215 Q HN 0.642 nan 8.270 nan 0.000 0.424 216 Y N 0.869 120.947 120.300 -0.369 0.000 2.200 216 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 216 Y C 2.605 178.046 175.900 -0.765 0.000 1.137 216 Y CA 1.503 59.183 58.100 -0.699 0.000 1.163 216 Y CB -0.975 37.093 38.460 -0.653 0.000 0.988 216 Y HN 0.184 nan 8.280 nan 0.000 0.518 217 T N 0.187 114.552 114.554 -0.315 0.000 2.684 217 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 217 T C 1.922 176.447 174.700 -0.291 0.000 1.036 217 T CA 1.819 63.707 62.100 -0.352 0.000 1.148 217 T CB -0.164 68.427 68.868 -0.463 0.000 0.863 217 T HN 0.300 nan 8.240 nan 0.000 0.436 218 K N 0.867 121.127 120.400 -0.232 0.000 2.057 218 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 218 K C 2.468 179.057 176.600 -0.018 0.000 1.049 218 K CA 1.295 57.529 56.287 -0.090 0.000 0.931 218 K CB -0.111 32.395 32.500 0.009 0.000 0.714 218 K HN 0.471 nan 8.250 nan 0.000 0.440 219 E N 0.111 120.267 120.200 -0.073 0.000 2.051 219 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 219 E C 1.985 178.716 176.600 0.218 0.000 0.991 219 E CA 1.372 57.773 56.400 0.002 0.000 0.799 219 E CB -0.165 29.444 29.700 -0.152 0.000 0.748 219 E HN 0.441 nan 8.360 nan 0.000 0.449 220 Y N 0.492 120.881 120.300 0.150 0.000 2.224 220 Y HA -0.173 4.377 4.550 -0.000 0.000 0.289 220 Y C 2.371 178.484 175.900 0.355 0.000 1.146 220 Y CA 0.144 58.404 58.100 0.268 0.000 1.182 220 Y CB -0.070 38.432 38.460 0.071 0.000 0.983 220 Y HN 0.032 nan 8.280 nan 0.000 0.524 221 I N -0.232 120.563 120.570 0.374 0.000 2.286 221 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 221 I C 2.684 178.930 176.117 0.215 0.000 1.104 221 I CA 0.903 62.340 61.300 0.229 0.000 1.397 221 I CB -0.518 37.490 38.000 0.014 0.000 1.072 221 I HN 0.165 nan 8.210 nan 0.000 0.417 222 A N 0.341 123.279 122.820 0.196 0.000 1.883 222 A HA -0.332 3.988 4.320 -0.000 0.000 0.217 222 A C 2.194 179.922 177.584 0.239 0.000 1.186 222 A CA 2.340 54.486 52.037 0.182 0.000 0.624 222 A CB -1.082 18.009 19.000 0.151 0.000 0.822 222 A HN 0.539 nan 8.150 nan 0.000 0.444 223 H N -0.005 119.214 119.070 0.249 0.000 2.321 223 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 223 H C 2.298 177.820 175.328 0.323 0.000 1.087 223 H CA 2.058 58.274 56.048 0.280 0.000 1.319 223 H CB -0.122 29.781 29.762 0.236 0.000 1.379 223 H HN 0.401 nan 8.280 nan 0.000 0.501 224 S N 0.174 116.088 115.700 0.358 0.000 2.368 224 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 224 S C 2.145 176.878 174.600 0.223 0.000 1.030 224 S CA 1.210 59.578 58.200 0.280 0.000 0.999 224 S CB -0.109 63.284 63.200 0.321 0.000 0.844 224 S HN 0.355 nan 8.310 nan 0.000 0.459 225 I N 1.847 122.541 120.570 0.206 0.000 2.252 225 I HA -0.111 4.059 4.170 -0.000 0.000 0.245 225 I C 2.444 178.654 176.117 0.156 0.000 1.102 225 I CA 1.371 62.803 61.300 0.219 0.000 1.385 225 I CB -2.041 36.087 38.000 0.212 0.000 1.064 225 I HN 0.261 nan 8.210 nan 0.000 0.414 226 T N -0.092 114.485 114.554 0.039 0.000 2.652 226 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 226 T C 1.647 176.160 174.700 -0.311 0.000 1.039 226 T CA 1.824 63.827 62.100 -0.162 0.000 1.153 226 T CB -0.384 68.329 68.868 -0.259 0.000 0.863 226 T HN 0.351 nan 8.240 nan 0.000 0.428 227 W N 0.075 121.306 121.300 -0.115 0.000 2.436 227 W HA 0.060 4.720 4.660 -0.000 0.000 0.284 227 W C 2.180 178.724 176.519 0.042 0.000 1.225 227 W CA 0.086 57.364 57.345 -0.113 0.000 1.271 227 W CB -0.572 28.721 29.460 -0.278 0.000 1.114 227 W HN 0.294 nan 8.180 nan 0.000 0.559 228 Y N 1.798 122.209 120.300 0.185 0.000 2.128 228 Y HA -0.288 4.262 4.550 -0.000 0.000 0.284 228 Y C 2.048 178.094 175.900 0.244 0.000 1.154 228 Y CA 2.023 60.257 58.100 0.223 0.000 1.149 228 Y CB -0.931 37.602 38.460 0.121 0.000 0.976 228 Y HN -0.124 nan 8.280 nan 0.000 0.505 229 N N 0.438 119.078 118.700 -0.099 0.000 2.331 229 N HA -0.122 4.618 4.740 -0.000 0.000 0.180 229 N C 1.669 177.083 175.510 -0.159 0.000 1.019 229 N CA 1.196 54.120 53.050 -0.210 0.000 0.881 229 N CB -0.158 38.290 38.487 -0.065 0.000 0.972 229 N HN 0.494 nan 8.380 nan 0.000 0.435 230 K N 0.301 120.609 120.400 -0.153 0.000 2.057 230 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 230 K C 2.091 178.665 176.600 -0.044 0.000 1.050 230 K CA 1.161 57.348 56.287 -0.166 0.000 0.935 230 K CB -0.253 32.029 32.500 -0.364 0.000 0.715 230 K HN 0.130 nan 8.250 nan 0.000 0.439 231 G N 1.458 110.286 108.800 0.047 0.000 2.422 231 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 231 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 231 G C 1.432 176.197 174.900 -0.225 0.000 1.146 231 G CA 0.379 45.523 45.100 0.073 0.000 0.769 231 G HN 0.107 nan 8.290 nan 0.000 0.547 232 L N 0.971 122.046 121.223 -0.247 0.000 2.046 232 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 232 L C 2.170 179.007 176.870 -0.055 0.000 1.077 232 L CA 1.961 56.663 54.840 -0.230 0.000 0.747 232 L CB -0.413 41.503 42.059 -0.238 0.000 0.896 232 L HN 0.097 nan 8.230 nan 0.000 0.432 233 D N -1.047 119.317 120.400 -0.060 0.000 2.144 233 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 233 D C 2.350 178.623 176.300 -0.044 0.000 0.984 233 D CA 1.461 55.441 54.000 -0.034 0.000 0.834 233 D CB -0.205 40.564 40.800 -0.052 0.000 0.955 233 D HN 0.255 nan 8.370 nan 0.000 0.465 234 V N 1.281 121.168 119.914 -0.044 0.000 2.287 234 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 234 V C 2.621 178.638 176.094 -0.128 0.000 1.053 234 V CA 1.236 63.514 62.300 -0.037 0.000 1.027 234 V CB -0.427 31.453 31.823 0.096 0.000 0.646 234 V HN 0.203 nan 8.190 nan 0.000 0.447 235 L N -0.545 120.546 121.223 -0.220 0.000 2.156 235 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 235 L C 2.670 179.493 176.870 -0.078 0.000 1.095 235 L CA 1.394 56.094 54.840 -0.234 0.000 0.770 235 L CB -0.571 41.299 42.059 -0.315 0.000 0.914 235 L HN 0.277 nan 8.230 nan 0.000 0.439 236 R N 0.572 121.056 120.500 -0.026 0.000 2.090 236 R HA -0.083 4.257 4.340 -0.000 0.000 0.228 236 R C 1.168 177.382 176.300 -0.144 0.000 1.110 236 R CA 1.203 57.211 56.100 -0.153 0.000 0.973 236 R CB 0.087 30.339 30.300 -0.080 0.000 0.869 236 R HN 0.366 nan 8.270 nan 0.000 0.440 237 N N 1.170 119.814 118.700 -0.094 0.000 2.276 237 N HA -0.025 4.715 4.740 -0.000 0.000 0.212 237 N C -0.634 174.832 175.510 -0.073 0.000 1.127 237 N CA 0.108 53.111 53.050 -0.079 0.000 0.834 237 N CB 0.637 39.089 38.487 -0.059 0.000 1.014 237 N HN 0.186 nan 8.380 nan 0.000 0.491 238 K N 1.949 122.297 120.400 -0.087 0.000 2.322 238 K HA 0.078 4.398 4.320 -0.000 0.000 0.283 238 K C 0.227 176.789 176.600 -0.063 0.000 1.042 238 K CA -0.295 55.946 56.287 -0.078 0.000 0.958 238 K CB 0.644 33.082 32.500 -0.103 0.000 0.984 238 K HN 0.039 nan 8.250 nan 0.000 0.473 239 S N 4.677 120.349 115.700 -0.047 0.000 2.575 239 S HA -0.039 4.431 4.470 -0.000 0.000 0.295 239 S C 0.012 174.591 174.600 -0.035 0.000 1.267 239 S CA -0.220 57.958 58.200 -0.037 0.000 1.074 239 S CB 0.113 63.297 63.200 -0.028 0.000 0.829 239 S HN 0.895 nan 8.310 nan 0.000 0.497 240 N N 0.705 119.385 118.700 -0.032 0.000 2.725 240 N HA -0.127 4.613 4.740 -0.000 0.000 0.249 240 N C 0.475 175.970 175.510 -0.025 0.000 1.103 240 N CA 1.085 54.121 53.050 -0.024 0.000 0.707 240 N CB -1.810 36.668 38.487 -0.016 0.000 1.043 240 N HN 1.087 nan 8.380 nan 0.000 0.553 241 G N 0.306 109.081 108.800 -0.041 0.000 2.321 241 G HA2 0.086 4.046 3.960 -0.000 0.000 0.237 241 G HA3 0.086 4.046 3.960 -0.000 0.000 0.237 241 G C 0.309 175.202 174.900 -0.012 0.000 1.282 241 G CA -0.071 45.001 45.100 -0.048 0.000 0.886 241 G HN 0.128 nan 8.290 nan 0.000 0.528 242 Q N 1.128 120.933 119.800 0.009 0.000 2.278 242 Q HA 0.110 4.450 4.340 -0.000 0.000 0.257 242 Q C 0.567 176.639 176.000 0.120 0.000 0.928 242 Q CA -0.829 55.016 55.803 0.070 0.000 0.932 242 Q CB 1.853 30.628 28.738 0.061 0.000 1.221 242 Q HN 0.855 nan 8.270 nan 0.000 0.434 243 W N 4.320 125.627 121.300 0.011 0.000 2.342 243 W HA -0.231 4.429 4.660 -0.000 0.000 0.297 243 W C 1.369 177.981 176.519 0.154 0.000 1.213 243 W CA 1.007 58.392 57.345 0.066 0.000 1.251 243 W CB 0.030 29.500 29.460 0.017 0.000 1.136 243 W HN 0.716 nan 8.180 nan 0.000 0.526 244 I N 0.696 121.387 120.570 0.202 0.000 2.264 244 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 244 I C 2.267 178.314 176.117 -0.118 0.000 1.111 244 I CA 2.368 63.676 61.300 0.013 0.000 1.382 244 I CB -0.844 37.268 38.000 0.187 0.000 1.060 244 I HN -0.063 nan 8.210 nan 0.000 0.418 245 T N 0.050 114.583 114.554 -0.035 0.000 2.857 245 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 245 T C 1.696 176.370 174.700 -0.043 0.000 1.048 245 T CA 1.516 63.602 62.100 -0.024 0.000 1.139 245 T CB -0.541 68.313 68.868 -0.023 0.000 0.874 245 T HN 0.390 nan 8.240 nan 0.000 0.455 246 F N 2.873 122.670 119.950 -0.256 0.000 2.102 246 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 246 F C 2.113 177.746 175.800 -0.277 0.000 1.105 246 F CA 1.387 59.231 58.000 -0.260 0.000 1.239 246 F CB -0.452 38.369 39.000 -0.298 0.000 0.991 246 F HN 0.070 nan 8.300 nan 0.000 0.474 247 N N 0.163 118.515 118.700 -0.580 0.000 2.216 247 N HA -0.179 4.561 4.740 -0.000 0.000 0.183 247 N C 1.496 176.806 175.510 -0.334 0.000 1.017 247 N CA 1.664 54.318 53.050 -0.660 0.000 0.861 247 N CB -0.401 37.347 38.487 -1.232 0.000 0.986 247 N HN 0.186 nan 8.380 nan 0.000 0.428 248 D N -0.705 119.557 120.400 -0.229 0.000 2.133 248 D HA -0.205 4.435 4.640 -0.000 0.000 0.195 248 D C 1.534 177.764 176.300 -0.117 0.000 0.997 248 D CA 0.960 54.888 54.000 -0.121 0.000 0.840 248 D CB -0.496 40.285 40.800 -0.032 0.000 0.947 248 D HN 0.418 nan 8.370 nan 0.000 0.452 249 Y N 1.789 122.010 120.300 -0.131 0.000 2.145 249 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 249 Y C 2.036 177.912 175.900 -0.040 0.000 1.145 249 Y CA 1.672 59.787 58.100 0.025 0.000 1.148 249 Y CB 0.042 38.553 38.460 0.085 0.000 0.981 249 Y HN -0.160 nan 8.280 nan 0.000 0.507 250 K N 0.031 120.352 120.400 -0.132 0.000 2.057 250 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 250 K C 2.335 178.816 176.600 -0.198 0.000 1.049 250 K CA 1.651 57.861 56.287 -0.128 0.000 0.931 250 K CB -0.307 32.094 32.500 -0.165 0.000 0.714 250 K HN 0.330 nan 8.250 nan 0.000 0.440 251 R N 1.285 121.655 120.500 -0.216 0.000 2.073 251 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 251 R C 2.002 178.090 176.300 -0.355 0.000 1.134 251 R CA 1.391 57.350 56.100 -0.234 0.000 0.952 251 R CB 0.084 30.289 30.300 -0.158 0.000 0.850 251 R HN 0.077 nan 8.270 nan 0.000 0.433 252 E N 0.205 120.092 120.200 -0.520 0.000 2.106 252 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 252 E C 1.980 178.231 176.600 -0.582 0.000 0.984 252 E CA 1.022 56.950 56.400 -0.788 0.000 0.806 252 E CB -0.099 28.552 29.700 -1.750 0.000 0.750 252 E HN 0.366 nan 8.360 nan 0.000 0.458 253 M N 0.318 119.638 119.600 -0.466 0.000 2.229 253 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 253 M C 2.109 178.224 176.300 -0.307 0.000 1.063 253 M CA 1.164 56.324 55.300 -0.233 0.000 1.114 253 M CB -1.033 31.434 32.600 -0.222 0.000 1.387 253 M HN 0.018 nan 8.290 nan 0.000 0.420 254 T N 1.120 115.470 114.554 -0.340 0.000 2.737 254 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 254 T C 1.929 176.448 174.700 -0.302 0.000 1.038 254 T CA 1.168 63.071 62.100 -0.328 0.000 1.144 254 T CB -0.151 68.562 68.868 -0.260 0.000 0.866 254 T HN 0.298 nan 8.240 nan 0.000 0.434 255 I N 0.810 121.213 120.570 -0.278 0.000 2.252 255 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 255 I C 2.617 178.612 176.117 -0.204 0.000 1.102 255 I CA 1.344 62.503 61.300 -0.234 0.000 1.385 255 I CB -0.289 37.582 38.000 -0.215 0.000 1.064 255 I HN 0.278 nan 8.210 nan 0.000 0.414 256 Q N -0.645 119.053 119.800 -0.169 0.000 2.402 256 Q HA 0.037 4.377 4.340 -0.000 0.000 0.206 256 Q C 1.732 177.679 176.000 -0.089 0.000 0.919 256 Q CA 0.718 56.468 55.803 -0.088 0.000 0.923 256 Q CB 0.873 29.627 28.738 0.028 0.000 1.048 256 Q HN 0.379 nan 8.270 nan 0.000 0.515 257 V N -0.688 119.146 119.914 -0.133 0.000 3.161 257 V HA -0.043 4.077 4.120 -0.000 0.000 0.221 257 V C 1.778 177.737 176.094 -0.225 0.000 1.296 257 V CA 0.146 62.370 62.300 -0.126 0.000 1.306 257 V CB -0.219 31.578 31.823 -0.044 0.000 1.171 257 V HN 0.151 nan 8.190 nan 0.000 0.513 258 L N 0.582 121.628 121.223 -0.294 0.000 2.042 258 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 258 L C 2.240 178.897 176.870 -0.355 0.000 1.076 258 L CA 1.825 56.468 54.840 -0.328 0.000 0.749 258 L CB -0.787 41.033 42.059 -0.398 0.000 0.893 258 L HN 0.375 nan 8.230 nan 0.000 0.432 259 D N 0.334 120.466 120.400 -0.446 0.000 2.144 259 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 259 D C 2.281 178.251 176.300 -0.551 0.000 0.984 259 D CA 1.174 54.743 54.000 -0.718 0.000 0.834 259 D CB -0.070 40.097 40.800 -1.054 0.000 0.955 259 D HN 0.344 nan 8.370 nan 0.000 0.465 260 I N 0.472 120.791 120.570 -0.418 0.000 2.252 260 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 260 I C 2.301 178.004 176.117 -0.690 0.000 1.102 260 I CA 0.611 61.693 61.300 -0.364 0.000 1.385 260 I CB -0.169 37.685 38.000 -0.244 0.000 1.064 260 I HN -0.011 nan 8.210 nan 0.000 0.414 261 L N 0.716 121.490 121.223 -0.748 0.000 2.079 261 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 261 L C 2.813 179.252 176.870 -0.718 0.000 1.081 261 L CA 1.300 55.507 54.840 -1.054 0.000 0.752 261 L CB -0.888 40.907 42.059 -0.441 0.000 0.896 261 L HN 0.243 nan 8.230 nan 0.000 0.433 262 A N 0.113 122.719 122.820 -0.357 0.000 2.070 262 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 262 A C 2.227 179.725 177.584 -0.144 0.000 1.159 262 A CA 1.250 53.206 52.037 -0.135 0.000 0.656 262 A CB -0.548 18.486 19.000 0.058 0.000 0.800 262 A HN 0.422 nan 8.150 nan 0.000 0.453 263 L N -1.871 119.202 121.223 -0.250 0.000 2.240 263 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 263 L C 2.222 178.741 176.870 -0.585 0.000 1.106 263 L CA 0.455 55.105 54.840 -0.316 0.000 0.793 263 L CB -0.536 41.395 42.059 -0.212 0.000 0.927 263 L HN 0.447 nan 8.230 nan 0.000 0.446 264 F N 0.650 120.242 119.950 -0.596 0.000 2.120 264 F HA -0.337 4.190 4.527 -0.000 0.000 0.300 264 F C 2.738 178.381 175.800 -0.261 0.000 1.095 264 F CA 0.464 58.127 58.000 -0.561 0.000 1.249 264 F CB -0.394 38.439 39.000 -0.278 0.000 0.995 264 F HN 0.158 nan 8.300 nan 0.000 0.480 265 A N 0.533 123.456 122.820 0.170 0.000 1.908 265 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 265 A C 2.207 179.835 177.584 0.073 0.000 1.181 265 A CA 2.187 54.414 52.037 0.318 0.000 0.627 265 A CB -1.107 18.076 19.000 0.304 0.000 0.818 265 A HN 0.445 nan 8.150 nan 0.000 0.445 266 S N -1.538 113.982 115.700 -0.300 0.000 2.507 266 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 266 S C 1.600 176.129 174.600 -0.118 0.000 0.988 266 S CA 0.871 58.641 58.200 -0.717 0.000 0.944 266 S CB -0.853 62.025 63.200 -0.537 0.000 0.762 266 S HN 0.701 nan 8.310 nan 0.000 0.526 267 Y N 1.088 121.379 120.300 -0.016 0.000 2.544 267 Y HA 0.119 4.669 4.550 -0.000 0.000 0.286 267 Y C 1.123 177.098 175.900 0.124 0.000 1.141 267 Y CA -0.210 57.922 58.100 0.053 0.000 1.299 267 Y CB 0.059 38.554 38.460 0.058 0.000 1.030 267 Y HN 0.300 nan 8.280 nan 0.000 0.543 268 D N 2.722 123.343 120.400 0.368 0.000 2.349 268 D HA -0.012 4.628 4.640 -0.000 0.000 0.266 268 D C -1.691 174.819 176.300 0.350 0.000 1.293 268 D CA -1.744 52.485 54.000 0.382 0.000 0.926 268 D CB 1.231 42.288 40.800 0.427 0.000 1.090 268 D HN 0.139 nan 8.370 nan 0.000 0.502 269 P HA -0.058 nan 4.420 nan 0.000 0.233 269 P C 1.026 178.373 177.300 0.078 0.000 1.167 269 P CA 0.494 63.687 63.100 0.155 0.000 0.770 269 P CB 0.512 32.270 31.700 0.097 0.000 0.837 270 R N -0.505 120.026 120.500 0.053 0.000 2.100 270 R HA 0.073 4.413 4.340 -0.000 0.000 0.220 270 R C 2.456 178.700 176.300 -0.095 0.000 1.091 270 R CA 0.720 56.770 56.100 -0.084 0.000 0.986 270 R CB -0.189 29.955 30.300 -0.259 0.000 0.888 270 R HN 0.019 nan 8.270 nan 0.000 0.444 271 R N -0.410 120.054 120.500 -0.061 0.000 2.100 271 R HA 0.016 4.356 4.340 -0.000 0.000 0.220 271 R C -0.073 175.942 176.300 -0.475 0.000 1.091 271 R CA 1.118 57.021 56.100 -0.329 0.000 0.986 271 R CB 0.303 30.381 30.300 -0.370 0.000 0.888 271 R HN 0.103 nan 8.270 nan 0.000 0.444 272 Y N 0.004 120.295 120.300 -0.016 0.000 2.787 272 Y HA 0.396 4.946 4.550 -0.000 0.000 0.352 272 Y C -2.247 173.663 175.900 0.016 0.000 1.027 272 Y CA -3.661 54.445 58.100 0.010 0.000 1.219 272 Y CB 0.760 39.249 38.460 0.048 0.000 1.110 272 Y HN -0.086 nan 8.280 nan 0.000 0.614 273 P HA -0.011 nan 4.420 nan 0.000 0.263 273 P C 0.007 177.350 177.300 0.071 0.000 1.175 273 P CA 0.277 63.408 63.100 0.052 0.000 0.761 273 P CB 0.766 32.471 31.700 0.008 0.000 0.794 274 A N 2.872 125.725 122.820 0.054 0.000 2.462 274 A HA 0.093 4.413 4.320 -0.000 0.000 0.243 274 A C 0.315 177.923 177.584 0.041 0.000 1.076 274 A CA -0.150 51.918 52.037 0.051 0.000 0.773 274 A CB -0.344 18.679 19.000 0.038 0.000 1.010 274 A HN 0.586 nan 8.150 nan 0.000 0.493 275 D N 1.062 121.488 120.400 0.043 0.000 2.487 275 D HA 0.082 4.722 4.640 -0.000 0.000 0.243 275 D C 1.131 177.451 176.300 0.033 0.000 1.154 275 D CA 0.405 54.427 54.000 0.037 0.000 0.876 275 D CB 0.578 41.401 40.800 0.038 0.000 1.161 275 D HN 0.516 nan 8.370 nan 0.000 0.478 276 K N 3.310 123.724 120.400 0.024 0.000 2.103 276 K HA -0.117 4.202 4.320 -0.000 0.000 0.207 276 K C 1.468 178.081 176.600 0.021 0.000 1.048 276 K CA 0.804 57.102 56.287 0.018 0.000 0.930 276 K CB 0.044 32.548 32.500 0.007 0.000 0.716 276 K HN 0.566 nan 8.250 nan 0.000 0.444 277 I N 0.680 121.265 120.570 0.024 0.000 2.339 277 I HA -0.069 4.101 4.170 -0.000 0.000 0.245 277 I C 0.580 176.720 176.117 0.038 0.000 1.096 277 I CA 0.964 62.278 61.300 0.025 0.000 1.408 277 I CB -0.512 37.502 38.000 0.023 0.000 1.092 277 I HN 0.071 nan 8.210 nan 0.000 0.423 278 D N 0.630 121.057 120.400 0.044 0.000 2.440 278 D HA 0.191 4.830 4.640 -0.000 0.000 0.252 278 D C 0.585 176.919 176.300 0.057 0.000 1.180 278 D CA -0.176 53.857 54.000 0.056 0.000 0.894 278 D CB 0.413 41.243 40.800 0.049 0.000 1.111 278 D HN 0.051 nan 8.370 nan 0.000 0.544 279 N N 0.846 119.590 118.700 0.074 0.000 2.364 279 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 279 N C 1.506 177.037 175.510 0.035 0.000 1.022 279 N CA 1.303 54.389 53.050 0.060 0.000 0.883 279 N CB 0.305 38.844 38.487 0.086 0.000 0.965 279 N HN 0.491 nan 8.380 nan 0.000 0.438 280 T N -1.382 113.194 114.554 0.037 0.000 3.035 280 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 280 T C 0.693 175.408 174.700 0.025 0.000 1.109 280 T CA 0.433 62.545 62.100 0.021 0.000 1.119 280 T CB 0.019 68.905 68.868 0.030 0.000 0.900 280 T HN 0.005 nan 8.240 nan 0.000 0.503 281 K N 1.127 121.546 120.400 0.033 0.000 2.382 281 K HA 0.476 4.796 4.320 -0.000 0.000 0.275 281 K C -0.521 176.096 176.600 0.028 0.000 1.009 281 K CA -0.021 56.284 56.287 0.030 0.000 0.970 281 K CB 0.560 33.078 32.500 0.031 0.000 0.934 281 K HN 0.306 nan 8.250 nan 0.000 0.479 282 L N 0.722 121.957 121.223 0.020 0.000 2.333 282 L HA 0.273 4.613 4.340 -0.000 0.000 0.263 282 L C 0.048 176.901 176.870 -0.029 0.000 1.014 282 L CA -0.990 53.863 54.840 0.022 0.000 0.820 282 L CB 2.001 44.096 42.059 0.060 0.000 1.352 282 L HN 0.534 nan 8.230 nan 0.000 0.421 283 S N 1.655 117.335 115.700 -0.034 0.000 2.498 283 S HA 0.048 4.517 4.470 -0.000 0.000 0.281 283 S C -0.006 174.508 174.600 -0.144 0.000 1.265 283 S CA -0.319 57.839 58.200 -0.069 0.000 1.071 283 S CB 0.164 63.392 63.200 0.046 0.000 0.894 283 S HN 0.507 nan 8.310 nan 0.000 0.491 284 K N 4.232 124.506 120.400 -0.210 0.000 2.436 284 K HA 0.049 4.368 4.320 -0.000 0.000 0.282 284 K C -0.439 176.022 176.600 -0.232 0.000 1.044 284 K CA 0.271 56.429 56.287 -0.216 0.000 1.028 284 K CB 0.101 32.451 32.500 -0.251 0.000 0.919 284 K HN 0.617 nan 8.250 nan 0.000 0.474 285 T N 4.564 118.942 114.554 -0.294 0.000 2.837 285 T HA 0.186 4.536 4.350 -0.000 0.000 0.285 285 T C -0.550 173.747 174.700 -0.671 0.000 0.984 285 T CA -0.586 61.279 62.100 -0.391 0.000 1.049 285 T CB 1.045 69.695 68.868 -0.363 0.000 0.947 285 T HN 0.497 nan 8.240 nan 0.000 0.472 286 E N 1.838 121.705 120.200 -0.554 0.000 2.204 286 E HA 0.364 4.714 4.350 -0.000 0.000 0.276 286 E C -0.987 175.243 176.600 -0.617 0.000 0.974 286 E CA -0.540 55.492 56.400 -0.614 0.000 0.815 286 E CB 1.362 30.880 29.700 -0.303 0.000 1.119 286 E HN 0.523 nan 8.360 nan 0.000 0.393 287 F N 1.149 120.984 119.950 -0.192 0.000 2.332 287 F HA 0.157 4.684 4.527 -0.000 0.000 0.368 287 F C 1.529 177.301 175.800 -0.047 0.000 1.110 287 F CA -0.680 57.225 58.000 -0.157 0.000 1.087 287 F CB 1.198 40.055 39.000 -0.238 0.000 1.235 287 F HN 0.442 nan 8.300 nan 0.000 0.470 288 T N -1.515 113.108 114.554 0.116 0.000 3.081 288 T HA 0.021 4.371 4.350 -0.000 0.000 0.250 288 T C 1.117 175.955 174.700 0.230 0.000 1.100 288 T CA -0.480 61.741 62.100 0.200 0.000 1.038 288 T CB -0.072 68.879 68.868 0.138 0.000 0.962 288 T HN 0.411 nan 8.240 nan 0.000 0.516 289 R N 2.080 122.658 120.500 0.129 0.000 2.784 289 R HA 0.249 4.589 4.340 -0.000 0.000 0.266 289 R C -0.812 175.524 176.300 0.061 0.000 1.044 289 R CA 0.183 56.318 56.100 0.059 0.000 1.151 289 R CB 0.025 30.339 30.300 0.023 0.000 1.037 289 R HN 0.414 nan 8.270 nan 0.000 0.478 290 E N 1.597 121.791 120.200 -0.010 0.000 2.191 290 E HA 0.436 4.786 4.350 -0.000 0.000 0.274 290 E C -0.238 176.279 176.600 -0.139 0.000 0.948 290 E CA -0.812 55.522 56.400 -0.111 0.000 0.802 290 E CB 1.657 31.192 29.700 -0.276 0.000 1.137 290 E HN 0.641 nan 8.360 nan 0.000 0.397 291 I N -1.164 119.298 120.570 -0.180 0.000 2.797 291 I HA 0.566 4.736 4.170 -0.000 0.000 0.307 291 I C -1.111 174.935 176.117 -0.118 0.000 1.033 291 I CA -1.001 60.233 61.300 -0.109 0.000 1.071 291 I CB 1.120 38.962 38.000 -0.264 0.000 1.255 291 I HN 0.386 nan 8.210 nan 0.000 0.445 292 Y N 0.832 121.246 120.300 0.191 0.000 2.536 292 Y HA 0.699 5.249 4.550 -0.000 0.000 0.347 292 Y C 0.263 176.348 175.900 0.307 0.000 1.000 292 Y CA -0.729 57.567 58.100 0.327 0.000 1.051 292 Y CB 2.351 40.995 38.460 0.305 0.000 1.259 292 Y HN 0.728 nan 8.280 nan 0.000 0.468 293 T N -0.680 114.169 114.554 0.491 0.000 2.907 293 T HA 0.984 5.334 4.350 -0.000 0.000 0.292 293 T C -0.869 173.837 174.700 0.009 0.000 1.043 293 T CA -0.778 61.391 62.100 0.115 0.000 1.003 293 T CB 1.963 70.710 68.868 -0.201 0.000 1.084 293 T HN 1.065 nan 8.240 nan 0.000 0.483 294 A N 1.524 124.298 122.820 -0.078 0.000 2.604 294 A HA 0.701 5.021 4.320 -0.000 0.000 0.295 294 A C -1.773 175.979 177.584 0.279 0.000 1.067 294 A CA -0.891 51.213 52.037 0.111 0.000 0.683 294 A CB 1.572 20.750 19.000 0.297 0.000 1.281 294 A HN 1.064 nan 8.150 nan 0.000 0.407 295 L N 2.097 123.517 121.223 0.329 0.000 2.262 295 L HA 0.696 5.036 4.340 -0.000 0.000 0.288 295 L C -1.061 175.923 176.870 0.191 0.000 1.035 295 L CA -0.084 54.964 54.840 0.347 0.000 0.820 295 L CB 0.973 43.241 42.059 0.349 0.000 1.204 295 L HN 0.495 nan 8.230 nan 0.000 0.424 296 V N 4.634 124.660 119.914 0.187 0.000 2.735 296 V HA 0.446 4.566 4.120 -0.000 0.000 0.310 296 V C -0.257 175.896 176.094 0.099 0.000 1.061 296 V CA -0.920 61.454 62.300 0.123 0.000 0.913 296 V CB 1.903 33.837 31.823 0.185 0.000 1.005 296 V HN 0.763 nan 8.190 nan 0.000 0.428 297 E N 2.180 122.412 120.200 0.053 0.000 2.415 297 E HA 0.196 4.546 4.350 -0.000 0.000 0.262 297 E C -0.534 176.099 176.600 0.055 0.000 1.038 297 E CA 0.051 56.474 56.400 0.038 0.000 0.921 297 E CB 1.431 31.138 29.700 0.010 0.000 0.950 297 E HN 0.519 nan 8.360 nan 0.000 0.438 298 S N 3.045 118.773 115.700 0.047 0.000 2.647 298 S HA 0.444 4.914 4.470 -0.000 0.000 0.300 298 S C -2.253 172.368 174.600 0.034 0.000 1.129 298 S CA -1.117 57.113 58.200 0.051 0.000 1.029 298 S CB 0.855 64.092 63.200 0.061 0.000 1.007 298 S HN 0.584 nan 8.310 nan 0.000 0.484 299 P HA 0.438 nan 4.420 nan 0.000 0.276 299 P C -0.913 176.407 177.300 0.033 0.000 1.261 299 P CA -0.527 62.594 63.100 0.036 0.000 0.800 299 P CB 1.159 32.874 31.700 0.026 0.000 1.066 300 S N -0.708 115.017 115.700 0.041 0.000 2.472 300 S HA 0.316 4.786 4.470 -0.000 0.000 0.303 300 S C 0.941 175.552 174.600 0.019 0.000 1.099 300 S CA -0.253 57.966 58.200 0.032 0.000 1.077 300 S CB 0.612 63.843 63.200 0.050 0.000 1.031 300 S HN 0.501 nan 8.310 nan 0.000 0.487 301 S N 3.364 119.066 115.700 0.004 0.000 2.575 301 S HA 0.227 4.697 4.470 -0.000 0.000 0.215 301 S C 0.465 175.057 174.600 -0.013 0.000 0.966 301 S CA -0.191 58.006 58.200 -0.004 0.000 0.911 301 S CB -0.235 62.960 63.200 -0.008 0.000 0.780 301 S HN 0.677 nan 8.310 nan 0.000 0.514 302 K N 3.003 123.393 120.400 -0.017 0.000 2.249 302 K HA 0.303 4.623 4.320 -0.000 0.000 0.280 302 K C 0.365 176.948 176.600 -0.029 0.000 1.033 302 K CA -0.263 56.002 56.287 -0.037 0.000 0.946 302 K CB 0.774 33.236 32.500 -0.063 0.000 1.005 302 K HN 0.362 nan 8.250 nan 0.000 0.469 303 S N 3.409 119.083 115.700 -0.044 0.000 2.589 303 S HA 0.046 4.516 4.470 -0.000 0.000 0.265 303 S C 1.492 176.068 174.600 -0.040 0.000 1.342 303 S CA -0.443 57.730 58.200 -0.046 0.000 1.005 303 S CB 0.448 63.612 63.200 -0.060 0.000 0.909 303 S HN 0.644 nan 8.310 nan 0.000 0.555 304 I N 1.353 121.893 120.570 -0.050 0.000 2.226 304 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 304 I C 2.827 178.913 176.117 -0.053 0.000 1.100 304 I CA 1.542 62.825 61.300 -0.029 0.000 1.374 304 I CB -0.926 36.883 38.000 -0.317 0.000 1.057 304 I HN 0.874 nan 8.210 nan 0.000 0.413 305 A N 0.727 123.479 122.820 -0.113 0.000 1.902 305 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 305 A C 2.539 180.072 177.584 -0.086 0.000 1.181 305 A CA 1.794 53.777 52.037 -0.090 0.000 0.623 305 A CB -0.761 18.189 19.000 -0.084 0.000 0.818 305 A HN 0.425 nan 8.150 nan 0.000 0.443 306 A N -0.423 122.338 122.820 -0.099 0.000 1.898 306 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 306 A C 2.166 179.632 177.584 -0.196 0.000 1.181 306 A CA 1.434 53.400 52.037 -0.119 0.000 0.620 306 A CB -0.542 18.398 19.000 -0.100 0.000 0.819 306 A HN 0.456 nan 8.150 nan 0.000 0.442 307 L N -1.030 120.028 121.223 -0.274 0.000 2.156 307 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 307 L C 2.611 179.052 176.870 -0.716 0.000 1.095 307 L CA 1.520 56.017 54.840 -0.571 0.000 0.770 307 L CB -0.340 41.261 42.059 -0.763 0.000 0.914 307 L HN 0.495 nan 8.230 nan 0.000 0.439 308 E N 0.681 120.668 120.200 -0.356 0.000 2.051 308 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 308 E C 2.119 178.636 176.600 -0.138 0.000 0.991 308 E CA 1.607 57.987 56.400 -0.033 0.000 0.799 308 E CB -0.065 29.765 29.700 0.216 0.000 0.748 308 E HN 0.363 nan 8.360 nan 0.000 0.449 309 A N 0.385 123.126 122.820 -0.133 0.000 1.930 309 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 309 A C 2.342 179.832 177.584 -0.157 0.000 1.175 309 A CA 1.802 53.771 52.037 -0.113 0.000 0.627 309 A CB -0.713 18.239 19.000 -0.079 0.000 0.815 309 A HN 0.378 nan 8.150 nan 0.000 0.443 310 A N -0.952 121.736 122.820 -0.221 0.000 2.021 310 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 310 A C 1.893 179.292 177.584 -0.308 0.000 1.163 310 A CA 1.000 52.900 52.037 -0.229 0.000 0.676 310 A CB -0.234 18.631 19.000 -0.224 0.000 0.818 310 A HN 0.427 nan 8.150 nan 0.000 0.453 311 L N -0.330 120.643 121.223 -0.416 0.000 2.556 311 L HA 0.133 4.473 4.340 -0.000 0.000 0.226 311 L C 1.097 177.729 176.870 -0.395 0.000 1.089 311 L CA 0.651 55.225 54.840 -0.443 0.000 0.864 311 L CB 0.084 41.724 42.059 -0.698 0.000 1.067 311 L HN 0.465 nan 8.230 nan 0.000 0.477 312 T N -1.951 112.359 114.554 -0.408 0.000 2.949 312 T HA 0.543 4.893 4.350 -0.000 0.000 0.287 312 T C -0.036 174.543 174.700 -0.202 0.000 1.034 312 T CA -0.825 60.963 62.100 -0.520 0.000 1.018 312 T CB 1.987 70.472 68.868 -0.639 0.000 1.135 312 T HN -0.002 nan 8.240 nan 0.000 0.532 313 R N 1.129 121.603 120.500 -0.043 0.000 2.428 313 R HA 0.442 4.782 4.340 -0.000 0.000 0.294 313 R C -0.445 175.866 176.300 0.017 0.000 1.000 313 R CA -0.900 55.143 56.100 -0.094 0.000 0.960 313 R CB 0.580 30.712 30.300 -0.279 0.000 1.076 313 R HN 0.655 nan 8.270 nan 0.000 0.475 314 D N 1.436 121.838 120.400 0.003 0.000 2.360 314 D HA 0.032 4.672 4.640 -0.000 0.000 0.242 314 D C 0.384 176.757 176.300 0.121 0.000 1.184 314 D CA -0.253 53.775 54.000 0.047 0.000 0.930 314 D CB 0.763 41.582 40.800 0.031 0.000 1.161 314 D HN 0.251 nan 8.370 nan 0.000 0.447 315 V N 0.354 120.311 119.914 0.072 0.000 2.752 315 V HA 0.137 4.257 4.120 -0.000 0.000 0.306 315 V C 0.163 176.298 176.094 0.068 0.000 1.099 315 V CA 0.403 62.717 62.300 0.023 0.000 1.240 315 V CB -0.099 31.720 31.823 -0.005 0.000 0.887 315 V HN 0.761 nan 8.190 nan 0.000 0.499 316 H N 2.405 121.447 119.070 -0.045 0.000 3.014 316 H HA 0.514 5.069 4.556 -0.000 0.000 0.337 316 H C -1.060 174.262 175.328 -0.010 0.000 1.320 316 H CA -1.271 54.755 56.048 -0.036 0.000 1.128 316 H CB 1.291 30.997 29.762 -0.094 0.000 1.862 316 H HN 0.660 nan 8.280 nan 0.000 0.536 317 L N 1.122 122.416 121.223 0.118 0.000 2.467 317 L HA 0.060 4.400 4.340 -0.000 0.000 0.270 317 L C 0.555 177.570 176.870 0.242 0.000 1.205 317 L CA -0.430 54.475 54.840 0.110 0.000 0.828 317 L CB 0.057 42.127 42.059 0.019 0.000 1.101 317 L HN 0.435 nan 8.230 nan 0.000 0.479 318 F N 1.846 121.830 119.950 0.058 0.000 2.608 318 F HA 0.062 4.589 4.527 -0.000 0.000 0.380 318 F C 0.769 176.611 175.800 0.069 0.000 1.083 318 F CA -0.031 57.962 58.000 -0.011 0.000 1.266 318 F CB 0.580 39.526 39.000 -0.089 0.000 1.076 318 F HN 0.496 nan 8.300 nan 0.000 0.574 319 T N 1.879 116.160 114.554 -0.456 0.000 2.924 319 T HA 0.520 4.870 4.350 -0.000 0.000 0.291 319 T C -1.310 173.068 174.700 -0.536 0.000 1.045 319 T CA -0.806 61.160 62.100 -0.224 0.000 1.015 319 T CB 1.099 69.816 68.868 -0.252 0.000 1.103 319 T HN 0.536 nan 8.240 nan 0.000 0.496 320 W N 1.658 123.065 121.300 0.179 0.000 2.475 320 W HA 0.587 5.247 4.660 -0.000 0.000 0.317 320 W C -0.484 176.122 176.519 0.146 0.000 1.046 320 W CA -1.182 56.274 57.345 0.184 0.000 1.215 320 W CB 1.379 30.977 29.460 0.230 0.000 1.335 320 W HN 0.579 nan 8.180 nan 0.000 0.471 321 L N 5.141 126.528 121.223 0.272 0.000 2.418 321 L HA 0.156 4.496 4.340 -0.000 0.000 0.274 321 L C 0.737 177.700 176.870 0.156 0.000 1.135 321 L CA 0.730 55.671 54.840 0.169 0.000 0.870 321 L CB 0.515 42.618 42.059 0.072 0.000 1.154 321 L HN 0.433 nan 8.230 nan 0.000 0.462 322 K N 4.324 124.790 120.400 0.109 0.000 2.387 322 K HA 0.275 4.595 4.320 -0.000 0.000 0.197 322 K C 0.276 176.866 176.600 -0.016 0.000 1.127 322 K CA 0.262 56.583 56.287 0.057 0.000 0.950 322 K CB 0.578 33.109 32.500 0.052 0.000 1.017 322 K HN 0.577 nan 8.250 nan 0.000 0.519 323 R N 0.616 121.082 120.500 -0.056 0.000 2.643 323 R HA 0.309 4.649 4.340 -0.000 0.000 0.269 323 R C -1.685 174.488 176.300 -0.211 0.000 1.037 323 R CA -0.474 55.552 56.100 -0.124 0.000 0.894 323 R CB 2.095 32.330 30.300 -0.108 0.000 1.238 323 R HN -0.110 nan 8.270 nan 0.000 0.459 324 V N 0.247 119.967 119.914 -0.323 0.000 2.483 324 V HA 0.586 4.706 4.120 -0.000 0.000 0.297 324 V C -1.090 174.589 176.094 -0.690 0.000 1.027 324 V CA -0.922 61.046 62.300 -0.553 0.000 0.855 324 V CB 1.828 33.230 31.823 -0.702 0.000 0.995 324 V HN 0.616 nan 8.190 nan 0.000 0.424 325 D N 4.230 124.245 120.400 -0.641 0.000 2.185 325 D HA 0.693 5.333 4.640 -0.000 0.000 0.247 325 D C -0.903 175.060 176.300 -0.562 0.000 1.027 325 D CA 0.149 53.858 54.000 -0.485 0.000 0.861 325 D CB 2.062 42.724 40.800 -0.230 0.000 1.202 325 D HN 0.575 nan 8.370 nan 0.000 0.453 326 F N 0.427 120.385 119.950 0.015 0.000 2.556 326 F HA 0.410 4.936 4.527 -0.000 0.000 0.314 326 F C 0.037 175.912 175.800 0.125 0.000 1.106 326 F CA -1.063 56.992 58.000 0.092 0.000 0.911 326 F CB 2.116 41.026 39.000 -0.150 0.000 1.190 326 F HN 0.076 nan 8.300 nan 0.000 0.448 327 W N 1.309 122.719 121.300 0.184 0.000 2.578 327 W HA 0.562 5.222 4.660 -0.000 0.000 0.346 327 W C -0.733 175.882 176.519 0.160 0.000 1.075 327 W CA -0.615 56.818 57.345 0.146 0.000 1.233 327 W CB 2.534 32.036 29.460 0.070 0.000 1.358 327 W HN 0.290 nan 8.180 nan 0.000 0.574 328 T N 2.425 117.204 114.554 0.375 0.000 2.893 328 T HA 0.165 4.515 4.350 -0.000 0.000 0.293 328 T C -0.248 174.570 174.700 0.196 0.000 1.027 328 T CA -0.785 61.491 62.100 0.293 0.000 0.988 328 T CB 1.300 70.339 68.868 0.286 0.000 1.043 328 T HN 0.111 nan 8.240 nan 0.000 0.461 329 N N 2.391 121.180 118.700 0.148 0.000 2.411 329 N HA 0.187 4.927 4.740 -0.000 0.000 0.259 329 N C 0.977 176.530 175.510 0.072 0.000 1.103 329 N CA 0.036 53.152 53.050 0.110 0.000 0.954 329 N CB 1.290 39.825 38.487 0.079 0.000 1.085 329 N HN 0.799 nan 8.380 nan 0.000 0.485 330 T N -1.419 113.147 114.554 0.020 0.000 3.085 330 T HA 0.201 4.551 4.350 -0.000 0.000 0.264 330 T C 1.685 176.334 174.700 -0.085 0.000 1.019 330 T CA -0.242 61.843 62.100 -0.024 0.000 0.910 330 T CB 0.092 68.938 68.868 -0.036 0.000 1.059 330 T HN 0.206 nan 8.240 nan 0.000 0.542 331 I N 0.695 121.181 120.570 -0.140 0.000 2.226 331 I HA 0.033 4.203 4.170 -0.000 0.000 0.245 331 I C 0.178 176.057 176.117 -0.397 0.000 1.100 331 I CA 1.041 62.137 61.300 -0.341 0.000 1.374 331 I CB -0.714 36.977 38.000 -0.515 0.000 1.057 331 I HN 0.347 nan 8.210 nan 0.000 0.413 332 Y N 0.491 120.826 120.300 0.057 0.000 2.334 332 Y HA 0.289 4.839 4.550 -0.000 0.000 0.336 332 Y C 1.380 177.276 175.900 -0.005 0.000 0.960 332 Y CA -0.480 57.646 58.100 0.043 0.000 1.164 332 Y CB 1.096 39.605 38.460 0.083 0.000 1.155 332 Y HN 0.003 nan 8.280 nan 0.000 0.478 333 Q N 1.917 121.779 119.800 0.104 0.000 2.170 333 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 333 Q C 1.101 177.091 176.000 -0.017 0.000 0.976 333 Q CA 2.054 57.869 55.803 0.019 0.000 0.858 333 Q CB 0.168 28.909 28.738 0.006 0.000 0.907 333 Q HN 0.887 nan 8.270 nan 0.000 0.433 334 D N -0.644 119.770 120.400 0.024 0.000 2.328 334 D HA -0.066 4.574 4.640 -0.000 0.000 0.226 334 D C 0.669 176.931 176.300 -0.063 0.000 1.066 334 D CA 0.243 54.230 54.000 -0.022 0.000 0.861 334 D CB 0.147 40.956 40.800 0.014 0.000 0.912 334 D HN 0.377 nan 8.370 nan 0.000 0.521 335 L N 0.077 121.265 121.223 -0.059 0.000 3.347 335 L HA 0.291 4.631 4.340 -0.000 0.000 0.306 335 L C 0.040 176.728 176.870 -0.303 0.000 1.301 335 L CA -0.527 54.266 54.840 -0.078 0.000 0.985 335 L CB 0.532 42.714 42.059 0.204 0.000 1.400 335 L HN -0.301 nan 8.230 nan 0.000 0.601 336 R N 0.804 121.011 120.500 -0.488 0.000 2.248 336 R HA 0.531 4.871 4.340 -0.000 0.000 0.328 336 R C -1.128 174.788 176.300 -0.640 0.000 1.067 336 R CA 0.331 56.214 56.100 -0.362 0.000 0.924 336 R CB 0.452 30.626 30.300 -0.210 0.000 1.013 336 R HN -0.016 nan 8.270 nan 0.000 0.454 337 F N 1.234 121.211 119.950 0.045 0.000 2.629 337 F HA 0.266 4.793 4.527 -0.000 0.000 0.316 337 F C -0.153 175.706 175.800 0.098 0.000 1.081 337 F CA -1.477 56.557 58.000 0.056 0.000 0.954 337 F CB 0.911 39.898 39.000 -0.021 0.000 1.337 337 F HN 0.204 nan 8.300 nan 0.000 0.474 338 L N 1.554 122.971 121.223 0.323 0.000 2.525 338 L HA 0.168 4.508 4.340 -0.000 0.000 0.278 338 L C 0.805 177.725 176.870 0.084 0.000 1.218 338 L CA 0.881 55.781 54.840 0.099 0.000 0.878 338 L CB 0.735 42.706 42.059 -0.148 0.000 1.127 338 L HN 0.756 nan 8.230 nan 0.000 0.492 339 S N 2.590 118.353 115.700 0.105 0.000 2.593 339 S HA 0.761 5.231 4.470 -0.000 0.000 0.235 339 S C 0.312 174.937 174.600 0.042 0.000 1.059 339 S CA 0.137 58.384 58.200 0.078 0.000 0.953 339 S CB 0.244 63.516 63.200 0.120 0.000 0.897 339 S HN 1.109 nan 8.310 nan 0.000 0.507 340 A N 1.710 124.594 122.820 0.107 0.000 2.566 340 A HA 0.693 5.013 4.320 -0.000 0.000 0.290 340 A C -1.852 175.874 177.584 0.237 0.000 1.071 340 A CA -0.616 51.428 52.037 0.012 0.000 0.658 340 A CB 0.754 19.531 19.000 -0.372 0.000 1.285 340 A HN 0.493 nan 8.150 nan 0.000 0.427 341 N N 0.642 119.418 118.700 0.127 0.000 2.591 341 N HA 0.583 5.323 4.740 -0.000 0.000 0.263 341 N C -1.393 174.173 175.510 0.094 0.000 1.308 341 N CA -0.566 52.626 53.050 0.236 0.000 0.837 341 N CB 2.227 40.841 38.487 0.212 0.000 1.548 341 N HN 0.835 nan 8.380 nan 0.000 0.493 342 K N 0.849 121.309 120.400 0.100 0.000 2.482 342 K HA 0.545 4.865 4.320 -0.000 0.000 0.257 342 K C -1.432 175.102 176.600 -0.111 0.000 0.969 342 K CA -0.762 55.528 56.287 0.006 0.000 0.842 342 K CB 1.635 34.236 32.500 0.170 0.000 1.359 342 K HN 0.504 nan 8.250 nan 0.000 0.441 343 I N 1.887 122.396 120.570 -0.101 0.000 2.509 343 I HA 0.361 4.531 4.170 -0.000 0.000 0.293 343 I C 0.194 176.332 176.117 0.036 0.000 1.020 343 I CA -0.599 60.616 61.300 -0.141 0.000 1.088 343 I CB 1.445 39.202 38.000 -0.405 0.000 1.267 343 I HN 0.786 nan 8.210 nan 0.000 0.430 344 G N 6.050 114.844 108.800 -0.011 0.000 2.368 344 G HA2 0.675 4.635 3.960 -0.000 0.000 0.320 344 G HA3 0.675 4.635 3.960 -0.000 0.000 0.320 344 G C -1.065 173.879 174.900 0.075 0.000 1.158 344 G CA -0.242 44.834 45.100 -0.040 0.000 0.912 344 G HN 0.508 nan 8.290 nan 0.000 0.456 345 F N 0.671 120.587 119.950 -0.057 0.000 2.664 345 F HA 0.867 5.394 4.527 -0.000 0.000 0.317 345 F C -0.273 175.476 175.800 -0.084 0.000 1.108 345 F CA -1.438 56.539 58.000 -0.038 0.000 0.957 345 F CB 1.753 40.741 39.000 -0.022 0.000 1.365 345 F HN 0.605 nan 8.300 nan 0.000 0.475 346 S N -0.502 115.320 115.700 0.203 0.000 2.564 346 S HA 0.645 5.115 4.470 -0.000 0.000 0.274 346 S C -1.549 173.213 174.600 0.270 0.000 1.124 346 S CA -0.816 57.424 58.200 0.066 0.000 0.869 346 S CB 1.212 64.487 63.200 0.124 0.000 1.105 346 S HN 0.718 nan 8.310 nan 0.000 0.472 347 Y N 0.862 121.408 120.300 0.410 0.000 2.295 347 Y HA 0.346 4.896 4.550 -0.000 0.000 0.331 347 Y C 1.376 177.583 175.900 0.513 0.000 1.311 347 Y CA -0.657 57.711 58.100 0.446 0.000 1.430 347 Y CB 0.595 39.247 38.460 0.321 0.000 1.339 347 Y HN 0.615 nan 8.280 nan 0.000 0.552 348 T N 2.918 117.919 114.554 0.744 0.000 2.867 348 T HA -0.039 4.311 4.350 -0.000 0.000 0.297 348 T C 0.124 175.003 174.700 0.298 0.000 0.989 348 T CA -0.076 62.366 62.100 0.570 0.000 1.159 348 T CB -0.318 68.885 68.868 0.558 0.000 0.928 348 T HN 0.629 nan 8.240 nan 0.000 0.538 349 N N 0.968 119.755 118.700 0.145 0.000 2.735 349 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 349 N C -0.315 175.268 175.510 0.121 0.000 1.083 349 N CA 0.921 54.021 53.050 0.084 0.000 0.703 349 N CB -1.064 37.464 38.487 0.067 0.000 1.005 349 N HN 0.662 nan 8.380 nan 0.000 0.550 350 S N -0.806 114.992 115.700 0.164 0.000 2.472 350 S HA 0.516 4.986 4.470 -0.000 0.000 0.303 350 S C 1.119 175.781 174.600 0.104 0.000 1.099 350 S CA 0.047 58.349 58.200 0.170 0.000 1.077 350 S CB 1.135 64.502 63.200 0.279 0.000 1.031 350 S HN 0.278 nan 8.310 nan 0.000 0.487 351 S N 3.267 119.012 115.700 0.074 0.000 2.593 351 S HA 0.387 4.857 4.470 -0.000 0.000 0.217 351 S C 0.653 175.270 174.600 0.028 0.000 0.966 351 S CA -0.055 58.169 58.200 0.040 0.000 0.914 351 S CB -0.135 63.081 63.200 0.027 0.000 0.776 351 S HN 0.901 nan 8.310 nan 0.000 0.523 352 A N 1.702 124.547 122.820 0.041 0.000 2.304 352 A HA 0.769 5.089 4.320 -0.000 0.000 0.301 352 A C -0.322 177.231 177.584 -0.052 0.000 1.132 352 A CA -0.685 51.356 52.037 0.007 0.000 0.819 352 A CB 0.490 19.512 19.000 0.037 0.000 1.094 352 A HN 0.455 nan 8.150 nan 0.000 0.492 353 M N 2.247 121.791 119.600 -0.094 0.000 2.129 353 M HA 0.340 4.820 4.480 -0.000 0.000 0.348 353 M C -0.539 175.590 176.300 -0.286 0.000 1.116 353 M CA -0.111 55.086 55.300 -0.172 0.000 1.022 353 M CB 1.082 33.607 32.600 -0.124 0.000 1.599 353 M HN 0.664 nan 8.290 nan 0.000 0.449 354 Q N 3.221 122.683 119.800 -0.563 0.000 2.214 354 Q HA 0.463 4.803 4.340 -0.000 0.000 0.251 354 Q C -0.878 174.678 176.000 -0.740 0.000 0.936 354 Q CA -0.341 54.987 55.803 -0.791 0.000 0.894 354 Q CB 1.318 29.131 28.738 -1.541 0.000 1.252 354 Q HN 0.578 nan 8.270 nan 0.000 0.448 355 E N 1.005 120.952 120.200 -0.422 0.000 2.210 355 E HA 0.309 4.659 4.350 -0.000 0.000 0.266 355 E C -0.448 176.151 176.600 -0.002 0.000 0.883 355 E CA -0.367 55.924 56.400 -0.180 0.000 0.761 355 E CB 1.986 31.624 29.700 -0.104 0.000 1.156 355 E HN 0.666 nan 8.360 nan 0.000 0.412 356 S N 1.164 116.950 115.700 0.143 0.000 2.686 356 S HA 0.644 5.114 4.470 -0.000 0.000 0.270 356 S C 0.719 175.283 174.600 -0.060 0.000 1.194 356 S CA -0.382 57.935 58.200 0.195 0.000 0.990 356 S CB 1.235 64.625 63.200 0.316 0.000 1.029 356 S HN 0.465 nan 8.310 nan 0.000 0.560 357 G N -0.678 107.999 108.800 -0.204 0.000 2.588 357 G HA2 0.521 4.481 3.960 -0.000 0.000 0.281 357 G HA3 0.521 4.481 3.960 -0.000 0.000 0.281 357 G C -0.422 174.101 174.900 -0.628 0.000 1.236 357 G CA -1.107 43.794 45.100 -0.332 0.000 0.969 357 G HN 0.764 nan 8.290 nan 0.000 0.504 358 I N 0.024 120.264 120.570 -0.549 0.000 2.365 358 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 358 I C -0.875 174.847 176.117 -0.657 0.000 1.004 358 I CA -0.310 60.609 61.300 -0.635 0.000 1.311 358 I CB 0.939 38.553 38.000 -0.643 0.000 1.401 358 I HN 0.317 nan 8.210 nan 0.000 0.491 359 Y N 4.743 124.901 120.300 -0.235 0.000 2.335 359 Y HA 0.637 5.187 4.550 -0.000 0.000 0.339 359 Y C 0.887 176.665 175.900 -0.204 0.000 0.987 359 Y CA -0.143 57.852 58.100 -0.176 0.000 1.140 359 Y CB 1.456 39.841 38.460 -0.126 0.000 1.173 359 Y HN 0.854 nan 8.280 nan 0.000 0.486 360 G N 1.158 109.929 108.800 -0.048 0.000 2.378 360 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.198 360 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.198 360 G C -1.121 173.699 174.900 -0.134 0.000 1.223 360 G CA -0.594 44.456 45.100 -0.083 0.000 1.088 360 G HN 0.649 nan 8.290 nan 0.000 0.530 361 S N -0.116 115.513 115.700 -0.118 0.000 2.438 361 S HA 0.636 5.106 4.470 -0.000 0.000 0.316 361 S C 0.827 175.321 174.600 -0.177 0.000 1.084 361 S CA 0.755 58.898 58.200 -0.096 0.000 1.107 361 S CB 0.886 64.094 63.200 0.014 0.000 0.981 361 S HN 2.020 nan 8.310 nan 0.000 0.466 362 S N 3.036 118.595 115.700 -0.234 0.000 2.855 362 S HA 0.403 4.873 4.470 -0.000 0.000 0.249 362 S C 0.859 175.437 174.600 -0.037 0.000 1.033 362 S CA -0.256 57.767 58.200 -0.294 0.000 1.038 362 S CB 0.213 62.993 63.200 -0.699 0.000 0.960 362 S HN 0.734 nan 8.310 nan 0.000 0.548 363 G N 1.513 110.325 108.800 0.020 0.000 2.624 363 G HA2 0.461 4.421 3.960 -0.000 0.000 0.217 363 G HA3 0.461 4.421 3.960 -0.000 0.000 0.217 363 G C -0.332 174.653 174.900 0.142 0.000 1.506 363 G CA -1.039 44.115 45.100 0.091 0.000 1.072 363 G HN 0.391 nan 8.290 nan 0.000 0.568 364 F N 0.890 120.872 119.950 0.054 0.000 2.623 364 F HA 0.347 4.874 4.527 -0.000 0.000 0.383 364 F C 1.471 177.319 175.800 0.081 0.000 1.077 364 F CA 1.365 59.398 58.000 0.054 0.000 1.268 364 F CB 0.511 39.527 39.000 0.028 0.000 1.053 364 F HN 0.984 nan 8.300 nan 0.000 0.571 365 G N 3.248 111.495 108.800 -0.921 0.000 2.205 365 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.261 365 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.261 365 G C 0.292 175.099 174.900 -0.155 0.000 0.980 365 G CA 0.304 45.026 45.100 -0.630 0.000 0.632 365 G HN 1.051 nan 8.290 nan 0.000 0.533 366 S N 0.953 116.642 115.700 -0.018 0.000 2.438 366 S HA 0.653 5.123 4.470 -0.000 0.000 0.316 366 S C -0.258 174.499 174.600 0.262 0.000 1.084 366 S CA -0.657 57.631 58.200 0.147 0.000 1.107 366 S CB 0.421 63.717 63.200 0.160 0.000 0.981 366 S HN 0.388 nan 8.310 nan 0.000 0.466 367 N N 3.138 121.983 118.700 0.241 0.000 2.240 367 N HA 0.321 5.061 4.740 -0.000 0.000 0.302 367 N C -1.190 174.257 175.510 -0.105 0.000 1.106 367 N CA -0.713 52.418 53.050 0.135 0.000 0.778 367 N CB 1.642 40.135 38.487 0.008 0.000 1.431 367 N HN 0.543 nan 8.380 nan 0.000 0.479 368 L N 2.037 122.927 121.223 -0.556 0.000 2.500 368 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 368 L C 1.300 177.941 176.870 -0.381 0.000 1.149 368 L CA 0.802 55.053 54.840 -0.981 0.000 0.897 368 L CB -0.098 41.312 42.059 -1.082 0.000 1.178 368 L HN 0.743 nan 8.230 nan 0.000 0.473 369 T N -0.169 114.291 114.554 -0.156 0.000 2.971 369 T HA 0.316 4.666 4.350 -0.000 0.000 0.252 369 T C 0.262 174.869 174.700 -0.154 0.000 1.022 369 T CA 0.044 62.116 62.100 -0.045 0.000 0.980 369 T CB -0.133 68.837 68.868 0.169 0.000 1.044 369 T HN 0.598 nan 8.240 nan 0.000 0.501 370 H N 0.488 119.557 119.070 -0.003 0.000 2.806 370 H HA 0.677 5.233 4.556 -0.000 0.000 0.367 370 H C -1.065 174.215 175.328 -0.081 0.000 1.136 370 H CA -0.623 55.461 56.048 0.060 0.000 1.178 370 H CB 1.697 31.675 29.762 0.360 0.000 1.718 370 H HN 0.100 nan 8.280 nan 0.000 0.540 371 Q N 2.676 122.484 119.800 0.015 0.000 2.589 371 Q HA 0.384 4.724 4.340 -0.000 0.000 0.245 371 Q C -0.947 175.024 176.000 -0.050 0.000 0.931 371 Q CA -0.210 55.538 55.803 -0.092 0.000 0.730 371 Q CB 2.037 30.699 28.738 -0.126 0.000 1.315 371 Q HN 0.542 nan 8.270 nan 0.000 0.469 372 I N 2.189 122.717 120.570 -0.070 0.000 2.321 372 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 372 I C 0.126 176.187 176.117 -0.093 0.000 0.998 372 I CA -0.516 60.756 61.300 -0.047 0.000 1.227 372 I CB 1.326 39.312 38.000 -0.024 0.000 1.368 372 I HN 0.337 nan 8.210 nan 0.000 0.466 373 Q N 6.698 126.466 119.800 -0.053 0.000 2.314 373 Q HA 0.369 4.709 4.340 -0.000 0.000 0.257 373 Q C -0.753 175.228 176.000 -0.031 0.000 0.975 373 Q CA -0.234 55.541 55.803 -0.046 0.000 0.933 373 Q CB 1.372 30.094 28.738 -0.027 0.000 1.195 373 Q HN 0.571 nan 8.270 nan 0.000 0.426 374 L N 4.264 125.466 121.223 -0.036 0.000 2.397 374 L HA 0.115 4.455 4.340 -0.000 0.000 0.263 374 L C 1.268 178.159 176.870 0.034 0.000 1.136 374 L CA -0.419 54.418 54.840 -0.005 0.000 1.019 374 L CB -0.158 41.885 42.059 -0.027 0.000 1.352 374 L HN 0.687 nan 8.230 nan 0.000 0.420 375 N N -0.294 118.427 118.700 0.036 0.000 2.512 375 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 375 N C 0.518 176.065 175.510 0.063 0.000 1.073 375 N CA 0.138 53.214 53.050 0.042 0.000 0.911 375 N CB 0.481 38.987 38.487 0.032 0.000 0.964 375 N HN 0.402 nan 8.380 nan 0.000 0.447 376 S N -0.324 115.426 115.700 0.083 0.000 2.542 376 S HA 0.323 4.793 4.470 -0.000 0.000 0.293 376 S C -0.931 173.753 174.600 0.141 0.000 1.089 376 S CA -0.821 57.444 58.200 0.109 0.000 0.961 376 S CB 0.966 64.233 63.200 0.112 0.000 1.062 376 S HN 0.257 nan 8.310 nan 0.000 0.483 377 N N 1.450 120.251 118.700 0.168 0.000 2.412 377 N HA 0.149 4.889 4.740 -0.000 0.000 0.254 377 N C -0.862 174.772 175.510 0.206 0.000 1.232 377 N CA -0.091 53.081 53.050 0.204 0.000 0.880 377 N CB 0.582 39.209 38.487 0.233 0.000 1.076 377 N HN 0.301 nan 8.380 nan 0.000 0.458 378 V N 3.494 123.537 119.914 0.214 0.000 2.383 378 V HA 0.065 4.185 4.120 -0.000 0.000 0.275 378 V C 0.150 176.418 176.094 0.290 0.000 1.036 378 V CA -0.221 62.217 62.300 0.229 0.000 0.889 378 V CB 0.248 32.208 31.823 0.229 0.000 0.985 378 V HN 0.730 nan 8.190 nan 0.000 0.459 379 Y N 2.997 123.397 120.300 0.167 0.000 2.467 379 Y HA 0.596 5.146 4.550 -0.000 0.000 0.250 379 Y C 0.370 176.477 175.900 0.345 0.000 1.155 379 Y CA -0.637 57.543 58.100 0.133 0.000 1.249 379 Y CB 0.331 38.496 38.460 -0.491 0.000 1.146 379 Y HN 0.472 nan 8.280 nan 0.000 0.524 380 K N 0.919 121.245 120.400 -0.124 0.000 2.572 380 K HA 0.476 4.796 4.320 -0.000 0.000 0.263 380 K C -1.396 175.311 176.600 0.179 0.000 0.932 380 K CA -0.207 56.061 56.287 -0.032 0.000 0.838 380 K CB 1.879 34.067 32.500 -0.520 0.000 1.366 380 K HN 0.253 nan 8.250 nan 0.000 0.425 381 T N -1.067 113.600 114.554 0.188 0.000 2.883 381 T HA 0.740 5.090 4.350 -0.000 0.000 0.296 381 T C -0.839 173.712 174.700 -0.248 0.000 1.117 381 T CA -0.665 61.400 62.100 -0.058 0.000 1.006 381 T CB 1.542 70.226 68.868 -0.308 0.000 1.191 381 T HN 0.632 nan 8.240 nan 0.000 0.508 382 S N 0.565 115.988 115.700 -0.461 0.000 2.564 382 S HA 0.789 5.259 4.470 -0.000 0.000 0.274 382 S C -1.256 173.065 174.600 -0.464 0.000 1.124 382 S CA -0.930 56.840 58.200 -0.717 0.000 0.869 382 S CB 1.653 64.118 63.200 -1.225 0.000 1.105 382 S HN 1.197 nan 8.310 nan 0.000 0.472 383 I N 1.397 121.752 120.570 -0.359 0.000 2.619 383 I HA 0.597 4.767 4.170 -0.000 0.000 0.292 383 I C -1.402 174.636 176.117 -0.131 0.000 1.100 383 I CA -0.215 61.012 61.300 -0.121 0.000 1.043 383 I CB 2.250 40.340 38.000 0.148 0.000 1.239 383 I HN 0.822 nan 8.210 nan 0.000 0.420 384 T N 5.903 120.413 114.554 -0.072 0.000 2.779 384 T HA 0.506 4.856 4.350 -0.000 0.000 0.280 384 T C -1.121 173.589 174.700 0.016 0.000 0.987 384 T CA -0.532 61.540 62.100 -0.046 0.000 0.966 384 T CB 0.930 69.769 68.868 -0.048 0.000 0.933 384 T HN 0.683 nan 8.240 nan 0.000 0.442 385 D N 0.830 121.237 120.400 0.013 0.000 2.570 385 D HA 0.363 5.003 4.640 -0.000 0.000 0.244 385 D C -0.174 176.131 176.300 0.009 0.000 1.178 385 D CA -0.619 53.392 54.000 0.019 0.000 0.881 385 D CB 0.970 41.767 40.800 -0.006 0.000 1.453 385 D HN 0.467 nan 8.370 nan 0.000 0.447 386 T N -1.939 112.604 114.554 -0.018 0.000 2.868 386 T HA 0.313 4.663 4.350 -0.000 0.000 0.292 386 T C 0.907 175.588 174.700 -0.032 0.000 1.028 386 T CA -0.355 61.737 62.100 -0.014 0.000 1.059 386 T CB 1.017 69.860 68.868 -0.041 0.000 0.991 386 T HN 0.306 nan 8.240 nan 0.000 0.531 387 S N 0.714 116.405 115.700 -0.015 0.000 2.404 387 S HA 0.181 4.651 4.470 -0.000 0.000 0.223 387 S C 0.520 175.109 174.600 -0.020 0.000 1.040 387 S CA -0.092 58.100 58.200 -0.013 0.000 0.957 387 S CB 0.171 63.370 63.200 -0.002 0.000 0.826 387 S HN 0.765 nan 8.310 nan 0.000 0.491 388 S N 2.414 118.102 115.700 -0.021 0.000 2.775 388 S HA 0.403 4.873 4.470 -0.000 0.000 0.277 388 S C -2.755 171.829 174.600 -0.028 0.000 1.156 388 S CA -1.119 57.068 58.200 -0.022 0.000 1.081 388 S CB 1.778 64.973 63.200 -0.008 0.000 1.054 388 S HN 0.236 nan 8.310 nan 0.000 0.482 389 P HA 0.260 nan 4.420 nan 0.000 0.274 389 P C 0.028 177.275 177.300 -0.087 0.000 1.231 389 P CA -0.322 62.742 63.100 -0.061 0.000 0.790 389 P CB 0.746 32.403 31.700 -0.071 0.000 0.951 390 S N 0.780 116.440 115.700 -0.067 0.000 2.655 390 S HA 0.180 4.649 4.470 -0.000 0.000 0.265 390 S C 0.452 174.992 174.600 -0.099 0.000 1.240 390 S CA -0.193 57.968 58.200 -0.066 0.000 0.986 390 S CB -0.257 62.927 63.200 -0.027 0.000 0.985 390 S HN 0.514 nan 8.310 nan 0.000 0.562 391 N N -0.563 118.088 118.700 -0.081 0.000 2.782 391 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 391 N C -0.940 174.465 175.510 -0.174 0.000 1.101 391 N CA 0.894 53.892 53.050 -0.087 0.000 0.764 391 N CB -1.259 37.193 38.487 -0.059 0.000 1.122 391 N HN 0.620 nan 8.380 nan 0.000 0.561 392 R N 0.670 120.987 120.500 -0.305 0.000 2.230 392 R HA 0.355 4.695 4.340 -0.000 0.000 0.337 392 R C -0.493 175.648 176.300 -0.264 0.000 1.063 392 R CA -0.515 55.196 56.100 -0.647 0.000 0.935 392 R CB 0.966 30.421 30.300 -1.408 0.000 1.121 392 R HN -0.070 nan 8.270 nan 0.000 0.486 393 V N 3.218 123.130 119.914 -0.003 0.000 2.455 393 V HA 0.025 4.145 4.120 -0.000 0.000 0.273 393 V C 1.525 177.844 176.094 0.375 0.000 1.045 393 V CA 0.184 62.581 62.300 0.162 0.000 0.976 393 V CB 1.166 33.035 31.823 0.076 0.000 0.993 393 V HN 0.857 nan 8.190 nan 0.000 0.475 394 T N 1.190 115.915 114.554 0.285 0.000 2.990 394 T HA 0.264 4.614 4.350 -0.000 0.000 0.249 394 T C 0.396 175.126 174.700 0.050 0.000 1.039 394 T CA 0.010 62.222 62.100 0.186 0.000 1.036 394 T CB 0.361 69.299 68.868 0.117 0.000 0.994 394 T HN 0.532 nan 8.240 nan 0.000 0.489 395 K N -0.020 120.427 120.400 0.079 0.000 2.568 395 K HA 0.618 4.938 4.320 -0.000 0.000 0.273 395 K C -2.156 174.451 176.600 0.011 0.000 0.951 395 K CA -0.873 55.415 56.287 0.002 0.000 0.854 395 K CB 2.075 34.528 32.500 -0.079 0.000 1.424 395 K HN 0.133 nan 8.250 nan 0.000 0.427 396 M N 2.612 122.194 119.600 -0.030 0.000 2.277 396 M HA 0.299 4.779 4.480 -0.000 0.000 0.282 396 M C -1.797 174.289 176.300 -0.356 0.000 1.074 396 M CA -0.829 54.349 55.300 -0.204 0.000 0.954 396 M CB 2.235 34.731 32.600 -0.172 0.000 1.672 396 M HN 0.508 nan 8.290 nan 0.000 0.471 397 D N 2.414 122.494 120.400 -0.533 0.000 2.248 397 D HA 0.578 5.218 4.640 -0.000 0.000 0.246 397 D C -1.380 174.483 176.300 -0.730 0.000 1.027 397 D CA 0.086 53.795 54.000 -0.485 0.000 0.853 397 D CB 1.718 42.288 40.800 -0.384 0.000 1.243 397 D HN 0.280 nan 8.370 nan 0.000 0.462 398 F N 1.577 121.462 119.950 -0.108 0.000 2.434 398 F HA 0.283 4.810 4.527 -0.000 0.000 0.355 398 F C -0.307 175.425 175.800 -0.113 0.000 1.115 398 F CA -0.954 57.040 58.000 -0.010 0.000 1.010 398 F CB 0.795 39.834 39.000 0.065 0.000 1.234 398 F HN 0.161 nan 8.300 nan 0.000 0.439 399 Y N 2.895 123.191 120.300 -0.006 0.000 2.404 399 Y HA 0.370 4.920 4.550 -0.000 0.000 0.344 399 Y C 0.338 176.210 175.900 -0.045 0.000 0.995 399 Y CA -0.494 57.544 58.100 -0.103 0.000 1.201 399 Y CB 0.752 38.958 38.460 -0.423 0.000 1.151 399 Y HN 0.412 nan 8.280 nan 0.000 0.517 400 K N 3.660 124.214 120.400 0.256 0.000 2.098 400 K HA 0.307 4.627 4.320 -0.000 0.000 0.258 400 K C 1.124 177.969 176.600 0.409 0.000 0.973 400 K CA -0.618 55.843 56.287 0.291 0.000 0.898 400 K CB 1.351 33.966 32.500 0.192 0.000 1.057 400 K HN 0.742 nan 8.250 nan 0.000 0.447 401 I N -1.263 119.498 120.570 0.318 0.000 2.916 401 I HA -0.137 4.033 4.170 -0.000 0.000 0.267 401 I C 0.824 177.031 176.117 0.149 0.000 1.263 401 I CA 1.051 62.458 61.300 0.179 0.000 1.471 401 I CB -0.279 37.769 38.000 0.081 0.000 1.089 401 I HN 0.548 nan 8.210 nan 0.000 0.468 402 D N 1.263 121.756 120.400 0.155 0.000 2.336 402 D HA 0.116 4.756 4.640 -0.000 0.000 0.229 402 D C 1.645 178.019 176.300 0.124 0.000 1.061 402 D CA 0.553 54.624 54.000 0.119 0.000 0.875 402 D CB 0.002 40.861 40.800 0.098 0.000 0.904 402 D HN 0.517 nan 8.370 nan 0.000 0.525 403 G N -0.071 108.830 108.800 0.169 0.000 2.176 403 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 403 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 403 G C 0.523 175.517 174.900 0.157 0.000 0.979 403 G CA 0.601 45.804 45.100 0.172 0.000 0.641 403 G HN 0.803 nan 8.290 nan 0.000 0.530 404 T N -1.720 112.917 114.554 0.137 0.000 2.897 404 T HA 0.776 5.126 4.350 -0.000 0.000 0.278 404 T C -0.293 174.451 174.700 0.074 0.000 0.981 404 T CA -0.333 61.824 62.100 0.094 0.000 0.973 404 T CB 2.548 71.462 68.868 0.075 0.000 1.092 404 T HN 1.177 nan 8.240 nan 0.000 0.543 405 L N 0.777 122.009 121.223 0.016 0.000 2.410 405 L HA 0.799 5.139 4.340 -0.000 0.000 0.270 405 L C -0.629 176.241 176.870 0.000 0.000 0.983 405 L CA -0.701 54.097 54.840 -0.069 0.000 0.822 405 L CB 1.438 43.381 42.059 -0.193 0.000 1.285 405 L HN 1.119 nan 8.230 nan 0.000 0.409 406 A N 2.982 125.844 122.820 0.070 0.000 2.340 406 A HA 0.951 5.271 4.320 -0.000 0.000 0.331 406 A C -0.764 176.972 177.584 0.253 0.000 1.140 406 A CA 0.064 52.194 52.037 0.155 0.000 0.801 406 A CB 1.376 20.477 19.000 0.167 0.000 1.234 406 A HN 0.961 nan 8.150 nan 0.000 0.469 407 S N 0.200 116.045 115.700 0.242 0.000 2.556 407 S HA 0.630 5.100 4.470 -0.000 0.000 0.271 407 S C -1.228 173.506 174.600 0.224 0.000 1.135 407 S CA -0.587 57.749 58.200 0.227 0.000 0.858 407 S CB 1.093 64.315 63.200 0.037 0.000 1.114 407 S HN 1.363 nan 8.310 nan 0.000 0.468 408 Y N 2.024 122.331 120.300 0.011 0.000 2.360 408 Y HA 0.698 5.248 4.550 -0.000 0.000 0.337 408 Y C -1.037 174.697 175.900 -0.276 0.000 1.039 408 Y CA -0.792 57.102 58.100 -0.342 0.000 1.109 408 Y CB 1.419 39.514 38.460 -0.609 0.000 1.201 408 Y HN 0.823 nan 8.280 nan 0.000 0.458 409 N N 3.353 121.319 118.700 -1.223 0.000 2.371 409 N HA 0.091 4.831 4.740 -0.000 0.000 0.291 409 N C -0.150 174.820 175.510 -0.899 0.000 1.053 409 N CA 0.022 52.604 53.050 -0.779 0.000 0.870 409 N CB 2.156 40.483 38.487 -0.267 0.000 1.503 409 N HN 0.774 nan 8.380 nan 0.000 0.485 410 S N 0.999 116.297 115.700 -0.670 0.000 2.489 410 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 410 S C 0.580 175.076 174.600 -0.173 0.000 0.995 410 S CA 0.348 58.367 58.200 -0.302 0.000 0.934 410 S CB -0.127 63.016 63.200 -0.096 0.000 0.771 410 S HN 0.646 nan 8.310 nan 0.000 0.522 411 N N 0.712 119.305 118.700 -0.179 0.000 2.741 411 N HA -0.152 4.588 4.740 -0.000 0.000 0.250 411 N C -0.176 175.260 175.510 -0.124 0.000 1.115 411 N CA 0.877 53.854 53.050 -0.121 0.000 0.724 411 N CB -1.962 36.474 38.487 -0.086 0.000 1.090 411 N HN 0.728 nan 8.380 nan 0.000 0.558 412 I N 0.576 121.042 120.570 -0.173 0.000 2.710 412 I HA 0.030 4.200 4.170 -0.000 0.000 0.286 412 I C 0.514 176.554 176.117 -0.128 0.000 1.181 412 I CA 0.927 62.102 61.300 -0.208 0.000 1.430 412 I CB 0.636 38.420 38.000 -0.360 0.000 1.367 412 I HN 0.130 nan 8.210 nan 0.000 0.577 413 T N 7.731 122.226 114.554 -0.099 0.000 3.105 413 T HA 0.491 4.841 4.350 -0.000 0.000 0.321 413 T C -2.701 171.976 174.700 -0.038 0.000 1.135 413 T CA -1.172 60.893 62.100 -0.058 0.000 1.053 413 T CB 1.545 70.386 68.868 -0.045 0.000 1.133 413 T HN 0.500 nan 8.240 nan 0.000 0.463 414 P HA 0.254 nan 4.420 nan 0.000 0.274 414 P C -0.349 176.935 177.300 -0.026 0.000 1.256 414 P CA -0.204 62.883 63.100 -0.021 0.000 0.795 414 P CB 0.213 31.909 31.700 -0.007 0.000 1.038 415 T N 3.261 117.803 114.554 -0.019 0.000 2.867 415 T HA 0.153 4.502 4.350 -0.000 0.000 0.297 415 T C -1.674 173.033 174.700 0.011 0.000 0.989 415 T CA -0.363 61.729 62.100 -0.012 0.000 1.159 415 T CB -0.586 68.278 68.868 -0.007 0.000 0.928 415 T HN 0.428 nan 8.240 nan 0.000 0.538 416 P HA 0.159 nan 4.420 nan 0.000 0.272 416 P C -0.250 177.085 177.300 0.058 0.000 1.240 416 P CA -0.481 62.663 63.100 0.073 0.000 0.791 416 P CB 0.839 32.636 31.700 0.163 0.000 0.978 417 E N -0.378 119.854 120.200 0.054 0.000 2.283 417 E HA 0.418 4.767 4.350 -0.000 0.000 0.271 417 E C 0.545 177.167 176.600 0.037 0.000 1.031 417 E CA -0.416 56.006 56.400 0.037 0.000 0.868 417 E CB 0.004 29.721 29.700 0.029 0.000 1.094 417 E HN 0.753 nan 8.360 nan 0.000 0.401 418 G N 3.160 111.976 108.800 0.026 0.000 2.160 418 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 418 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 418 G C -0.009 174.904 174.900 0.021 0.000 1.022 418 G CA 0.227 45.339 45.100 0.020 0.000 0.741 418 G HN 0.405 nan 8.290 nan 0.000 0.508 419 L N 0.027 121.265 121.223 0.026 0.000 2.426 419 L HA 0.563 4.903 4.340 -0.000 0.000 0.271 419 L C 1.215 178.091 176.870 0.010 0.000 1.169 419 L CA -0.295 54.560 54.840 0.024 0.000 0.836 419 L CB 0.676 42.753 42.059 0.029 0.000 1.112 419 L HN 0.568 nan 8.230 nan 0.000 0.465 420 R N 0.779 121.279 120.500 0.000 0.000 2.795 420 R HA 0.722 5.062 4.340 -0.000 0.000 0.275 420 R C -1.345 174.934 176.300 -0.035 0.000 0.981 420 R CA -0.818 55.276 56.100 -0.010 0.000 0.917 420 R CB 1.731 32.026 30.300 -0.009 0.000 1.202 420 R HN 0.343 nan 8.270 nan 0.000 0.469 421 T N 1.461 115.985 114.554 -0.050 0.000 2.824 421 T HA 0.416 4.766 4.350 -0.000 0.000 0.282 421 T C -0.878 173.727 174.700 -0.158 0.000 0.993 421 T CA -0.527 61.496 62.100 -0.128 0.000 0.967 421 T CB 1.837 70.626 68.868 -0.132 0.000 0.960 421 T HN 0.576 nan 8.240 nan 0.000 0.441 422 T N 3.441 117.817 114.554 -0.297 0.000 2.807 422 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 422 T C -0.746 173.533 174.700 -0.702 0.000 0.993 422 T CA -0.445 61.420 62.100 -0.390 0.000 0.970 422 T CB 0.468 69.094 68.868 -0.403 0.000 0.950 422 T HN 0.306 nan 8.240 nan 0.000 0.441 423 F N 2.153 121.733 119.950 -0.616 0.000 2.425 423 F HA 0.696 5.223 4.527 -0.000 0.000 0.331 423 F C -0.196 175.106 175.800 -0.830 0.000 1.085 423 F CA -1.026 56.617 58.000 -0.595 0.000 1.028 423 F CB 1.091 39.865 39.000 -0.376 0.000 1.177 423 F HN 0.486 nan 8.300 nan 0.000 0.487 424 F N 0.578 120.460 119.950 -0.113 0.000 2.556 424 F HA 0.765 5.292 4.527 -0.000 0.000 0.314 424 F C 0.291 175.856 175.800 -0.391 0.000 1.106 424 F CA -0.755 57.091 58.000 -0.257 0.000 0.911 424 F CB 2.344 41.252 39.000 -0.154 0.000 1.190 424 F HN 0.622 nan 8.300 nan 0.000 0.448 425 G N 1.372 109.745 108.800 -0.711 0.000 2.321 425 G HA2 0.472 4.432 3.960 -0.000 0.000 0.298 425 G HA3 0.472 4.432 3.960 -0.000 0.000 0.298 425 G C -2.404 171.771 174.900 -1.208 0.000 1.385 425 G CA -0.932 43.623 45.100 -0.908 0.000 0.856 425 G HN 0.333 nan 8.290 nan 0.000 0.584 426 F N 0.539 120.288 119.950 -0.334 0.000 2.539 426 F HA 0.785 5.312 4.527 -0.000 0.000 0.318 426 F C 0.465 176.253 175.800 -0.019 0.000 1.135 426 F CA -0.716 57.163 58.000 -0.201 0.000 0.915 426 F CB 2.654 41.487 39.000 -0.279 0.000 1.176 426 F HN 0.551 nan 8.300 nan 0.000 0.440 427 S N 0.123 115.872 115.700 0.083 0.000 2.599 427 S HA 0.453 4.923 4.470 -0.000 0.000 0.294 427 S C 0.724 175.356 174.600 0.054 0.000 1.094 427 S CA -0.109 58.135 58.200 0.073 0.000 0.931 427 S CB 1.439 64.650 63.200 0.019 0.000 1.093 427 S HN 0.766 nan 8.310 nan 0.000 0.488 428 T N 0.368 114.944 114.554 0.037 0.000 3.088 428 T HA 0.106 4.455 4.350 -0.000 0.000 0.259 428 T C 0.561 175.270 174.700 0.015 0.000 1.122 428 T CA 0.230 62.346 62.100 0.026 0.000 1.095 428 T CB -0.467 68.410 68.868 0.014 0.000 0.930 428 T HN 0.422 nan 8.240 nan 0.000 0.508 429 N N 2.232 120.936 118.700 0.006 0.000 2.406 429 N HA 0.097 4.837 4.740 -0.000 0.000 0.251 429 N C 0.753 176.255 175.510 -0.013 0.000 1.069 429 N CA -0.267 52.780 53.050 -0.004 0.000 0.947 429 N CB 1.200 39.679 38.487 -0.012 0.000 1.111 429 N HN 0.458 nan 8.380 nan 0.000 0.497 430 E N 3.047 123.243 120.200 -0.008 0.000 2.333 430 E HA -0.175 4.175 4.350 -0.000 0.000 0.198 430 E C 0.253 176.839 176.600 -0.023 0.000 1.007 430 E CA 0.846 57.240 56.400 -0.011 0.000 0.845 430 E CB 0.230 29.931 29.700 0.001 0.000 0.766 430 E HN 0.549 nan 8.360 nan 0.000 0.507 431 N N 0.152 118.836 118.700 -0.027 0.000 2.416 431 N HA -0.062 4.678 4.740 -0.000 0.000 0.177 431 N C 0.578 176.053 175.510 -0.058 0.000 1.036 431 N CA 1.305 54.333 53.050 -0.036 0.000 0.901 431 N CB 0.473 38.941 38.487 -0.031 0.000 0.976 431 N HN 0.143 nan 8.380 nan 0.000 0.444 432 T N -1.463 113.051 114.554 -0.067 0.000 3.444 432 T HA 0.359 4.709 4.350 -0.000 0.000 0.265 432 T C -2.226 172.405 174.700 -0.115 0.000 1.537 432 T CA -1.755 60.285 62.100 -0.100 0.000 1.530 432 T CB 1.626 70.435 68.868 -0.098 0.000 0.958 432 T HN -0.205 nan 8.240 nan 0.000 0.684 433 P HA -0.178 nan 4.420 nan 0.000 0.214 433 P C 1.152 178.316 177.300 -0.225 0.000 1.164 433 P CA 1.426 64.442 63.100 -0.140 0.000 0.942 433 P CB 0.077 31.705 31.700 -0.120 0.000 0.791 434 N N -1.406 117.151 118.700 -0.239 0.000 2.268 434 N HA 0.035 4.775 4.740 -0.000 0.000 0.204 434 N C 0.086 175.439 175.510 -0.262 0.000 1.124 434 N CA 0.390 53.260 53.050 -0.300 0.000 0.838 434 N CB 0.351 38.691 38.487 -0.245 0.000 0.994 434 N HN 0.416 nan 8.380 nan 0.000 0.489 435 Q N 1.181 120.833 119.800 -0.246 0.000 3.122 435 Q HA 0.255 4.595 4.340 -0.000 0.000 0.282 435 Q C -2.546 173.370 176.000 -0.141 0.000 0.947 435 Q CA -1.418 54.225 55.803 -0.267 0.000 0.812 435 Q CB 2.030 30.502 28.738 -0.443 0.000 1.333 435 Q HN 0.151 nan 8.270 nan 0.000 0.430 436 P HA 0.021 nan 4.420 nan 0.000 0.273 436 P C -0.018 177.400 177.300 0.197 0.000 1.250 436 P CA 0.085 63.246 63.100 0.103 0.000 0.793 436 P CB 1.077 32.914 31.700 0.228 0.000 1.011 437 T N -3.694 110.942 114.554 0.137 0.000 2.937 437 T HA 0.171 4.521 4.350 -0.000 0.000 0.283 437 T C 1.055 175.676 174.700 -0.130 0.000 1.012 437 T CA -0.693 61.456 62.100 0.082 0.000 0.997 437 T CB 0.753 69.636 68.868 0.026 0.000 1.136 437 T HN 0.126 nan 8.240 nan 0.000 0.551 438 V N 1.230 120.944 119.914 -0.333 0.000 3.026 438 V HA -0.064 4.056 4.120 -0.000 0.000 0.265 438 V C 1.266 177.347 176.094 -0.023 0.000 1.121 438 V CA 1.579 63.604 62.300 -0.460 0.000 1.142 438 V CB -1.135 30.524 31.823 -0.273 0.000 0.730 438 V HN 0.775 nan 8.190 nan 0.000 0.503 439 N N 0.870 119.559 118.700 -0.018 0.000 2.254 439 N HA 0.051 4.791 4.740 -0.000 0.000 0.190 439 N C 0.485 175.966 175.510 -0.048 0.000 1.107 439 N CA 1.026 54.065 53.050 -0.017 0.000 0.869 439 N CB 0.475 38.956 38.487 -0.010 0.000 0.983 439 N HN 0.858 nan 8.380 nan 0.000 0.487 440 D N -1.240 119.148 120.400 -0.019 0.000 2.594 440 D HA -0.022 4.618 4.640 -0.000 0.000 0.256 440 D C 0.163 176.463 176.300 -0.000 0.000 1.393 440 D CA -0.626 53.352 54.000 -0.037 0.000 0.797 440 D CB -0.920 39.879 40.800 -0.002 0.000 1.110 440 D HN 0.220 nan 8.370 nan 0.000 0.495 441 Y N 0.142 120.454 120.300 0.020 0.000 2.357 441 Y HA 0.480 5.030 4.550 -0.000 0.000 0.340 441 Y C 1.329 177.288 175.900 0.097 0.000 1.260 441 Y CA 0.120 58.285 58.100 0.108 0.000 1.425 441 Y CB 0.975 39.556 38.460 0.202 0.000 1.326 441 Y HN -0.066 nan 8.280 nan 0.000 0.580 442 T N -2.816 111.878 114.554 0.233 0.000 2.975 442 T HA 0.318 4.668 4.350 -0.000 0.000 0.261 442 T C -0.426 174.221 174.700 -0.088 0.000 0.984 442 T CA 0.122 62.217 62.100 -0.008 0.000 0.911 442 T CB -0.415 68.470 68.868 0.028 0.000 1.127 442 T HN 0.769 nan 8.240 nan 0.000 0.514 443 H N 0.675 119.908 119.070 0.272 0.000 2.928 443 H HA 0.758 5.314 4.556 -0.000 0.000 0.371 443 H C -0.643 175.068 175.328 0.639 0.000 1.186 443 H CA -1.116 55.132 56.048 0.333 0.000 1.134 443 H CB 1.888 31.767 29.762 0.195 0.000 1.824 443 H HN 0.434 nan 8.280 nan 0.000 0.554 444 I N -0.601 120.408 120.570 0.731 0.000 2.846 444 I HA 0.472 4.642 4.170 -0.000 0.000 0.307 444 I C -1.005 175.403 176.117 0.484 0.000 1.053 444 I CA -1.424 60.250 61.300 0.624 0.000 1.050 444 I CB 1.822 40.086 38.000 0.440 0.000 1.239 444 I HN 0.280 nan 8.210 nan 0.000 0.439 445 L N 2.969 124.261 121.223 0.115 0.000 2.410 445 L HA 0.242 4.582 4.340 -0.000 0.000 0.273 445 L C 0.976 177.779 176.870 -0.112 0.000 1.152 445 L CA 0.947 55.577 54.840 -0.350 0.000 0.855 445 L CB 1.288 43.141 42.059 -0.343 0.000 1.129 445 L HN 0.865 nan 8.230 nan 0.000 0.463 446 S N 3.285 118.876 115.700 -0.181 0.000 2.554 446 S HA 0.276 4.746 4.470 -0.000 0.000 0.227 446 S C -0.470 174.118 174.600 -0.019 0.000 1.050 446 S CA -0.091 58.038 58.200 -0.118 0.000 0.927 446 S CB 0.106 63.171 63.200 -0.225 0.000 0.859 446 S HN 0.654 nan 8.310 nan 0.000 0.494 447 Y N -0.286 119.855 120.300 -0.265 0.000 2.741 447 Y HA 0.572 5.122 4.550 -0.000 0.000 0.339 447 Y C -1.820 173.958 175.900 -0.203 0.000 1.226 447 Y CA -1.256 56.708 58.100 -0.228 0.000 1.072 447 Y CB 1.242 39.541 38.460 -0.268 0.000 1.331 447 Y HN 0.060 nan 8.280 nan 0.000 0.453 448 I N 2.821 123.204 120.570 -0.312 0.000 2.692 448 I HA 0.462 4.632 4.170 -0.000 0.000 0.293 448 I C -1.478 174.434 176.117 -0.341 0.000 1.200 448 I CA -0.882 60.231 61.300 -0.311 0.000 1.036 448 I CB 2.469 40.315 38.000 -0.257 0.000 1.258 448 I HN 0.385 nan 8.210 nan 0.000 0.421 449 K N 3.469 123.676 120.400 -0.322 0.000 2.464 449 K HA 0.674 4.994 4.320 -0.000 0.000 0.253 449 K C -1.269 175.170 176.600 -0.270 0.000 0.933 449 K CA -0.784 55.251 56.287 -0.420 0.000 0.801 449 K CB 2.837 35.019 32.500 -0.530 0.000 1.271 449 K HN 0.457 nan 8.250 nan 0.000 0.430 450 T N 1.095 115.557 114.554 -0.152 0.000 2.829 450 T HA 0.279 4.629 4.350 -0.000 0.000 0.280 450 T C -1.348 173.303 174.700 -0.083 0.000 0.999 450 T CA -0.564 61.477 62.100 -0.098 0.000 0.983 450 T CB 1.286 70.136 68.868 -0.029 0.000 0.968 450 T HN 0.518 nan 8.240 nan 0.000 0.446 451 D N 2.101 122.438 120.400 -0.105 0.000 2.620 451 D HA 0.388 5.028 4.640 -0.000 0.000 0.252 451 D C -0.080 176.172 176.300 -0.079 0.000 1.207 451 D CA -0.644 53.297 54.000 -0.099 0.000 0.884 451 D CB 1.251 41.959 40.800 -0.153 0.000 1.262 451 D HN 0.413 nan 8.370 nan 0.000 0.552 452 V N 2.587 122.467 119.914 -0.055 0.000 2.585 452 V HA 0.253 4.373 4.120 -0.000 0.000 0.296 452 V C 1.065 177.134 176.094 -0.040 0.000 1.035 452 V CA 0.090 62.366 62.300 -0.040 0.000 1.084 452 V CB 0.668 32.482 31.823 -0.014 0.000 0.953 452 V HN 0.625 nan 8.190 nan 0.000 0.483 453 I N 1.530 122.077 120.570 -0.039 0.000 2.726 453 I HA 0.247 4.417 4.170 -0.000 0.000 0.243 453 I C 0.761 176.871 176.117 -0.011 0.000 1.082 453 I CA 0.770 62.050 61.300 -0.034 0.000 1.447 453 I CB 0.188 38.163 38.000 -0.041 0.000 1.250 453 I HN 0.730 nan 8.210 nan 0.000 0.453 454 D N -1.594 118.805 120.400 -0.002 0.000 2.626 454 D HA 0.165 4.805 4.640 -0.000 0.000 0.278 454 D C -1.397 174.948 176.300 0.074 0.000 1.211 454 D CA -0.546 53.479 54.000 0.042 0.000 0.903 454 D CB 1.655 42.475 40.800 0.034 0.000 1.408 454 D HN -0.163 nan 8.370 nan 0.000 0.454 455 Y N 1.663 121.970 120.300 0.011 0.000 2.805 455 Y HA -0.064 4.486 4.550 -0.000 0.000 0.331 455 Y C 1.263 177.183 175.900 0.033 0.000 1.241 455 Y CA 1.052 59.175 58.100 0.039 0.000 1.546 455 Y CB -0.450 38.048 38.460 0.064 0.000 1.248 455 Y HN 0.593 nan 8.280 nan 0.000 0.559 456 N N 0.898 119.301 118.700 -0.496 0.000 2.967 456 N HA -0.223 4.517 4.740 -0.000 0.000 0.218 456 N C -0.959 174.379 175.510 -0.287 0.000 0.870 456 N CA 0.871 53.685 53.050 -0.394 0.000 1.030 456 N CB -1.003 37.263 38.487 -0.368 0.000 1.027 456 N HN 0.592 nan 8.380 nan 0.000 0.603 457 S N 0.234 115.815 115.700 -0.197 0.000 2.473 457 S HA 0.705 5.175 4.470 -0.000 0.000 0.307 457 S C -0.732 173.807 174.600 -0.102 0.000 1.094 457 S CA -0.772 57.326 58.200 -0.171 0.000 1.070 457 S CB 2.248 65.362 63.200 -0.144 0.000 1.019 457 S HN 0.196 nan 8.310 nan 0.000 0.480 458 N N 1.388 120.034 118.700 -0.090 0.000 2.416 458 N HA 0.411 5.151 4.740 -0.000 0.000 0.276 458 N C -1.287 174.189 175.510 -0.058 0.000 1.261 458 N CA -0.779 52.230 53.050 -0.069 0.000 0.790 458 N CB 2.098 40.546 38.487 -0.065 0.000 1.554 458 N HN 0.545 nan 8.380 nan 0.000 0.481 459 R N 0.168 120.626 120.500 -0.070 0.000 2.404 459 R HA 0.637 4.977 4.340 -0.000 0.000 0.291 459 R C -0.630 175.617 176.300 -0.088 0.000 1.025 459 R CA -0.531 55.530 56.100 -0.065 0.000 0.991 459 R CB 1.132 31.361 30.300 -0.118 0.000 1.053 459 R HN 0.226 nan 8.270 nan 0.000 0.479 460 V N 1.461 121.340 119.914 -0.060 0.000 2.525 460 V HA 0.332 4.452 4.120 -0.000 0.000 0.299 460 V C -0.650 175.336 176.094 -0.181 0.000 1.034 460 V CA -0.670 61.537 62.300 -0.155 0.000 0.863 460 V CB 1.812 33.554 31.823 -0.135 0.000 0.999 460 V HN 0.772 nan 8.190 nan 0.000 0.423 461 S N 4.509 120.044 115.700 -0.274 0.000 2.475 461 S HA 0.823 5.293 4.470 -0.000 0.000 0.298 461 S C -1.169 173.274 174.600 -0.262 0.000 1.119 461 S CA -0.332 57.793 58.200 -0.125 0.000 1.085 461 S CB 0.629 63.804 63.200 -0.042 0.000 1.028 461 S HN 0.383 nan 8.310 nan 0.000 0.489 462 F N 2.663 122.645 119.950 0.053 0.000 2.444 462 F HA 0.660 5.187 4.527 -0.000 0.000 0.342 462 F C 0.569 176.328 175.800 -0.069 0.000 1.121 462 F CA -0.693 57.277 58.000 -0.051 0.000 0.997 462 F CB 1.668 40.632 39.000 -0.059 0.000 1.130 462 F HN 0.689 nan 8.300 nan 0.000 0.454 463 A N 3.326 126.072 122.820 -0.124 0.000 2.306 463 A HA 0.770 5.090 4.320 -0.000 0.000 0.314 463 A C -1.724 175.595 177.584 -0.443 0.000 1.164 463 A CA -0.454 51.363 52.037 -0.366 0.000 0.822 463 A CB 0.471 19.255 19.000 -0.360 0.000 1.130 463 A HN 0.805 nan 8.150 nan 0.000 0.496 464 W N 0.304 121.507 121.300 -0.162 0.000 2.915 464 W HA 0.577 5.237 4.660 -0.000 0.000 0.337 464 W C 0.036 176.578 176.519 0.038 0.000 1.102 464 W CA -0.194 57.166 57.345 0.024 0.000 1.224 464 W CB 2.067 31.578 29.460 0.085 0.000 1.416 464 W HN 0.807 nan 8.180 nan 0.000 0.503 465 T N -1.845 112.923 114.554 0.357 0.000 2.912 465 T HA 0.327 4.677 4.350 -0.000 0.000 0.288 465 T C -0.571 174.313 174.700 0.307 0.000 1.030 465 T CA -0.724 61.559 62.100 0.305 0.000 1.020 465 T CB 1.592 70.587 68.868 0.211 0.000 1.056 465 T HN 0.469 nan 8.240 nan 0.000 0.480 466 H N 1.691 120.799 119.070 0.064 0.000 2.848 466 H HA 0.136 4.691 4.556 -0.000 0.000 0.341 466 H C 1.208 176.551 175.328 0.024 0.000 1.060 466 H CA 0.312 56.207 56.048 -0.255 0.000 1.444 466 H CB 1.248 30.960 29.762 -0.083 0.000 1.446 466 H HN 0.911 nan 8.280 nan 0.000 0.583 467 K N 4.604 124.971 120.400 -0.054 0.000 2.281 467 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 467 K C 1.878 178.651 176.600 0.288 0.000 1.046 467 K CA 0.919 57.326 56.287 0.201 0.000 0.938 467 K CB 0.011 32.557 32.500 0.078 0.000 0.737 467 K HN 0.680 nan 8.250 nan 0.000 0.458 468 I N 1.178 122.019 120.570 0.452 0.000 2.830 468 I HA -0.096 4.074 4.170 -0.000 0.000 0.263 468 I C -0.273 175.908 176.117 0.107 0.000 1.230 468 I CA 0.185 61.613 61.300 0.214 0.000 1.480 468 I CB 0.400 38.413 38.000 0.021 0.000 1.095 468 I HN -0.154 nan 8.210 nan 0.000 0.455 469 V N 2.599 122.599 119.914 0.144 0.000 2.485 469 V HA -0.060 4.060 4.120 -0.000 0.000 0.287 469 V C 0.083 176.310 176.094 0.222 0.000 1.022 469 V CA -0.039 62.301 62.300 0.067 0.000 1.067 469 V CB 0.426 32.180 31.823 -0.115 0.000 0.967 469 V HN 0.184 nan 8.190 nan 0.000 0.479 470 D N 8.345 128.823 120.400 0.129 0.000 2.339 470 D HA 0.167 4.807 4.640 -0.000 0.000 0.256 470 D C -1.115 175.228 176.300 0.071 0.000 1.214 470 D CA -2.103 51.957 54.000 0.101 0.000 0.877 470 D CB 1.707 42.550 40.800 0.072 0.000 1.111 470 D HN 0.292 nan 8.370 nan 0.000 0.478 471 P HA -0.011 nan 4.420 nan 0.000 0.242 471 P C 0.052 177.143 177.300 -0.348 0.000 1.197 471 P CA 0.402 63.106 63.100 -0.660 0.000 0.765 471 P CB 0.518 31.598 31.700 -1.033 0.000 0.936 472 N N -0.147 118.457 118.700 -0.161 0.000 2.171 472 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 472 N C -0.035 175.448 175.510 -0.045 0.000 1.184 472 N CA -0.166 52.820 53.050 -0.107 0.000 0.888 472 N CB -0.361 38.058 38.487 -0.113 0.000 1.038 472 N HN -0.094 nan 8.380 nan 0.000 0.517 473 N N 1.905 120.601 118.700 -0.005 0.000 2.714 473 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 473 N C -0.112 175.392 175.510 -0.011 0.000 1.014 473 N CA 0.661 53.724 53.050 0.022 0.000 0.735 473 N CB -1.334 37.179 38.487 0.043 0.000 0.924 473 N HN 0.573 nan 8.380 nan 0.000 0.540 474 Q N 0.079 119.847 119.800 -0.052 0.000 2.332 474 Q HA 0.257 4.597 4.340 -0.000 0.000 0.263 474 Q C 0.118 176.055 176.000 -0.104 0.000 0.979 474 Q CA -0.036 55.690 55.803 -0.129 0.000 0.885 474 Q CB 0.530 29.119 28.738 -0.250 0.000 1.218 474 Q HN 0.366 nan 8.270 nan 0.000 0.405 475 I N 5.214 125.723 120.570 -0.101 0.000 2.301 475 I HA 0.103 4.273 4.170 -0.000 0.000 0.292 475 I C -0.640 175.480 176.117 0.004 0.000 1.046 475 I CA -0.553 60.723 61.300 -0.040 0.000 1.282 475 I CB 0.157 38.026 38.000 -0.218 0.000 1.409 475 I HN 0.586 nan 8.210 nan 0.000 0.484 476 Y N 4.077 124.392 120.300 0.024 0.000 2.480 476 Y HA -0.018 4.532 4.550 -0.000 0.000 0.338 476 Y C 2.009 177.996 175.900 0.145 0.000 1.220 476 Y CA -0.166 57.980 58.100 0.076 0.000 1.430 476 Y CB 0.468 38.968 38.460 0.068 0.000 1.311 476 Y HN 0.630 nan 8.280 nan 0.000 0.575 477 T N -3.196 111.531 114.554 0.289 0.000 3.035 477 T HA -0.067 4.283 4.350 -0.000 0.000 0.259 477 T C 0.514 175.323 174.700 0.183 0.000 1.078 477 T CA 1.035 63.289 62.100 0.257 0.000 1.132 477 T CB -0.186 68.798 68.868 0.194 0.000 0.900 477 T HN 0.647 nan 8.240 nan 0.000 0.480 478 D N 1.107 121.620 120.400 0.189 0.000 2.440 478 D HA 0.616 5.256 4.640 -0.000 0.000 0.216 478 D C 0.264 176.629 176.300 0.107 0.000 1.150 478 D CA -0.370 53.704 54.000 0.123 0.000 0.832 478 D CB 0.264 41.129 40.800 0.108 0.000 0.992 478 D HN 0.646 nan 8.370 nan 0.000 0.502 479 A N -0.125 122.774 122.820 0.132 0.000 2.586 479 A HA 0.556 4.876 4.320 -0.000 0.000 0.290 479 A C -1.313 176.322 177.584 0.085 0.000 1.086 479 A CA -0.932 51.145 52.037 0.067 0.000 0.665 479 A CB 0.678 19.661 19.000 -0.028 0.000 1.279 479 A HN 0.117 nan 8.150 nan 0.000 0.423 480 I N 1.855 122.469 120.570 0.074 0.000 2.517 480 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 480 I C 0.126 176.279 176.117 0.060 0.000 1.106 480 I CA 0.381 61.745 61.300 0.107 0.000 1.402 480 I CB 1.106 39.206 38.000 0.167 0.000 1.399 480 I HN 0.559 nan 8.210 nan 0.000 0.535 481 T N 6.744 121.355 114.554 0.094 0.000 2.771 481 T HA 0.261 4.611 4.350 -0.000 0.000 0.291 481 T C -0.183 174.570 174.700 0.090 0.000 0.954 481 T CA -0.560 61.592 62.100 0.088 0.000 1.045 481 T CB 0.776 69.768 68.868 0.206 0.000 0.917 481 T HN 0.488 nan 8.240 nan 0.000 0.484 482 Q N 1.898 121.729 119.800 0.052 0.000 2.271 482 Q HA 0.580 4.920 4.340 -0.000 0.000 0.258 482 Q C -0.993 175.029 176.000 0.036 0.000 0.936 482 Q CA -0.728 55.108 55.803 0.056 0.000 0.909 482 Q CB 1.798 30.543 28.738 0.012 0.000 1.253 482 Q HN 0.397 nan 8.270 nan 0.000 0.440 483 V N 4.528 124.468 119.914 0.044 0.000 2.385 483 V HA 0.274 4.394 4.120 -0.000 0.000 0.277 483 V C -2.387 173.721 176.094 0.023 0.000 1.012 483 V CA -1.987 60.332 62.300 0.032 0.000 0.832 483 V CB 1.276 33.128 31.823 0.050 0.000 1.028 483 V HN 0.662 nan 8.190 nan 0.000 0.436 484 P HA 0.045 nan 4.420 nan 0.000 0.265 484 P C 0.905 178.219 177.300 0.023 0.000 1.187 484 P CA 0.365 63.460 63.100 -0.009 0.000 0.766 484 P CB 0.917 32.592 31.700 -0.042 0.000 0.820 485 A N 3.774 126.614 122.820 0.033 0.000 2.019 485 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 485 A C 1.758 179.371 177.584 0.047 0.000 1.164 485 A CA 1.976 54.042 52.037 0.048 0.000 0.644 485 A CB -1.561 17.471 19.000 0.053 0.000 0.805 485 A HN 0.531 nan 8.150 nan 0.000 0.449 486 V N -2.719 117.219 119.914 0.041 0.000 3.241 486 V HA -0.065 4.055 4.120 -0.000 0.000 0.269 486 V C 1.309 177.477 176.094 0.124 0.000 1.151 486 V CA 1.862 64.196 62.300 0.057 0.000 1.158 486 V CB -0.874 30.976 31.823 0.045 0.000 0.764 486 V HN 0.495 nan 8.190 nan 0.000 0.508 487 K N 1.066 121.533 120.400 0.112 0.000 2.476 487 K HA 0.268 4.588 4.320 -0.000 0.000 0.196 487 K C 0.713 177.419 176.600 0.176 0.000 1.025 487 K CA -0.092 56.296 56.287 0.169 0.000 1.138 487 K CB 0.170 32.726 32.500 0.094 0.000 0.860 487 K HN 0.488 nan 8.250 nan 0.000 0.515 488 S N 2.202 117.975 115.700 0.121 0.000 2.600 488 S HA 0.019 4.489 4.470 -0.000 0.000 0.265 488 S C 0.824 175.481 174.600 0.096 0.000 1.325 488 S CA -0.387 57.874 58.200 0.102 0.000 1.002 488 S CB 0.477 63.711 63.200 0.057 0.000 0.921 488 S HN 0.494 nan 8.310 nan 0.000 0.554 489 N N -0.112 118.658 118.700 0.116 0.000 2.194 489 N HA 0.222 4.962 4.740 -0.000 0.000 0.231 489 N C -0.814 174.759 175.510 0.106 0.000 1.247 489 N CA -0.250 52.864 53.050 0.108 0.000 0.884 489 N CB 0.144 38.793 38.487 0.271 0.000 1.146 489 N HN 0.411 nan 8.380 nan 0.000 0.516 490 F N 0.667 120.574 119.950 -0.071 0.000 2.605 490 F HA 0.588 5.115 4.527 -0.000 0.000 0.320 490 F C -2.204 173.569 175.800 -0.046 0.000 1.159 490 F CA -0.862 57.109 58.000 -0.050 0.000 0.999 490 F CB 1.278 40.281 39.000 0.006 0.000 1.258 490 F HN -0.126 nan 8.300 nan 0.000 0.464 491 L N 6.078 126.679 121.223 -1.037 0.000 2.436 491 L HA 0.437 4.777 4.340 -0.000 0.000 0.268 491 L C -0.812 175.476 176.870 -0.969 0.000 0.974 491 L CA -1.024 53.364 54.840 -0.754 0.000 0.826 491 L CB 2.127 43.968 42.059 -0.363 0.000 1.291 491 L HN 0.755 nan 8.230 nan 0.000 0.406 492 N N 1.896 120.225 118.700 -0.618 0.000 2.418 492 N HA 0.285 5.025 4.740 -0.000 0.000 0.283 492 N C 0.900 176.314 175.510 -0.160 0.000 1.267 492 N CA -0.033 52.828 53.050 -0.315 0.000 0.975 492 N CB 0.536 39.013 38.487 -0.017 0.000 1.167 492 N HN 0.592 nan 8.380 nan 0.000 0.581 493 A N -1.003 121.779 122.820 -0.063 0.000 1.986 493 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 493 A C 1.535 179.102 177.584 -0.027 0.000 1.171 493 A CA 2.282 54.299 52.037 -0.034 0.000 0.640 493 A CB -1.491 17.508 19.000 -0.002 0.000 0.811 493 A HN 0.878 nan 8.150 nan 0.000 0.451 494 T N -3.304 111.237 114.554 -0.021 0.000 3.186 494 T HA 0.637 4.987 4.350 -0.000 0.000 0.257 494 T C 0.170 174.861 174.700 -0.015 0.000 1.029 494 T CA 0.288 62.382 62.100 -0.009 0.000 0.916 494 T CB -0.001 68.871 68.868 0.006 0.000 1.041 494 T HN 0.675 nan 8.240 nan 0.000 0.562 495 A N 2.134 124.929 122.820 -0.043 0.000 2.330 495 A HA 0.759 5.079 4.320 -0.000 0.000 0.313 495 A C -0.321 177.229 177.584 -0.056 0.000 1.124 495 A CA -1.021 50.989 52.037 -0.046 0.000 0.774 495 A CB 1.257 20.213 19.000 -0.074 0.000 1.198 495 A HN 0.595 nan 8.150 nan 0.000 0.465 496 K N 0.979 121.361 120.400 -0.031 0.000 2.532 496 K HA 0.684 5.004 4.320 -0.000 0.000 0.265 496 K C -1.501 175.089 176.600 -0.015 0.000 0.948 496 K CA -0.829 55.442 56.287 -0.027 0.000 0.842 496 K CB 1.713 34.206 32.500 -0.012 0.000 1.392 496 K HN 0.253 nan 8.250 nan 0.000 0.436 497 V N 3.277 123.181 119.914 -0.017 0.000 2.614 497 V HA 0.298 4.417 4.120 -0.000 0.000 0.291 497 V C 0.370 176.459 176.094 -0.009 0.000 1.049 497 V CA -0.322 61.968 62.300 -0.017 0.000 1.038 497 V CB 0.381 32.185 31.823 -0.032 0.000 0.980 497 V HN 0.754 nan 8.190 nan 0.000 0.481 498 I N 1.019 121.585 120.570 -0.007 0.000 2.892 498 I HA 0.708 4.878 4.170 -0.000 0.000 0.306 498 I C -0.351 175.760 176.117 -0.009 0.000 1.078 498 I CA -1.534 59.764 61.300 -0.003 0.000 1.032 498 I CB 1.812 39.813 38.000 0.002 0.000 1.229 498 I HN 0.332 nan 8.210 nan 0.000 0.435 499 K N 2.938 123.336 120.400 -0.003 0.000 2.451 499 K HA 0.355 4.675 4.320 -0.000 0.000 0.280 499 K C 0.178 176.771 176.600 -0.012 0.000 1.020 499 K CA 0.492 56.777 56.287 -0.003 0.000 1.008 499 K CB 0.535 33.044 32.500 0.016 0.000 0.917 499 K HN 0.873 nan 8.250 nan 0.000 0.478 500 G N 4.521 113.305 108.800 -0.027 0.000 2.569 500 G HA2 0.156 4.116 3.960 -0.000 0.000 0.249 500 G HA3 0.156 4.116 3.960 -0.000 0.000 0.249 500 G C -1.475 173.386 174.900 -0.065 0.000 1.216 500 G CA -1.077 43.989 45.100 -0.055 0.000 0.845 500 G HN 0.679 nan 8.290 nan 0.000 0.568 501 P HA 0.036 nan 4.420 nan 0.000 0.226 501 P C 1.143 178.404 177.300 -0.066 0.000 1.153 501 P CA 1.496 64.545 63.100 -0.086 0.000 0.777 501 P CB 0.497 32.135 31.700 -0.104 0.000 0.794 502 G N -0.000 108.699 108.800 -0.168 0.000 2.336 502 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.194 502 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.194 502 G C 0.582 175.403 174.900 -0.132 0.000 0.999 502 G CA 0.215 45.245 45.100 -0.116 0.000 0.669 502 G HN 0.583 nan 8.290 nan 0.000 0.482 503 H N -0.374 118.661 119.070 -0.058 0.000 2.672 503 H HA 0.464 5.020 4.556 -0.000 0.000 0.277 503 H C 1.813 177.069 175.328 -0.119 0.000 1.074 503 H CA 1.194 57.186 56.048 -0.093 0.000 1.173 503 H CB 0.008 29.760 29.762 -0.017 0.000 1.558 503 H HN 0.355 nan 8.280 nan 0.000 0.539 504 T N -3.968 110.419 114.554 -0.277 0.000 3.069 504 T HA 0.342 4.692 4.350 -0.000 0.000 0.252 504 T C 1.802 176.426 174.700 -0.127 0.000 1.053 504 T CA 0.194 62.152 62.100 -0.238 0.000 0.964 504 T CB -0.060 68.579 68.868 -0.383 0.000 1.005 504 T HN 0.652 nan 8.240 nan 0.000 0.532 505 G N -0.118 108.635 108.800 -0.078 0.000 2.176 505 G HA2 0.219 4.179 3.960 -0.000 0.000 0.253 505 G HA3 0.219 4.179 3.960 -0.000 0.000 0.253 505 G C 0.540 175.448 174.900 0.013 0.000 0.979 505 G CA -0.207 44.913 45.100 0.033 0.000 0.641 505 G HN 1.558 nan 8.290 nan 0.000 0.530 506 G N -1.212 107.560 108.800 -0.047 0.000 2.360 506 G HA2 0.485 4.445 3.960 -0.000 0.000 0.276 506 G HA3 0.485 4.445 3.960 -0.000 0.000 0.276 506 G C -1.482 173.383 174.900 -0.058 0.000 1.256 506 G CA 0.268 45.349 45.100 -0.032 0.000 0.890 506 G HN 0.265 nan 8.290 nan 0.000 0.486 507 D N -0.426 119.944 120.400 -0.050 0.000 2.478 507 D HA 0.732 5.372 4.640 -0.000 0.000 0.269 507 D C 0.273 176.555 176.300 -0.030 0.000 1.232 507 D CA 0.029 54.000 54.000 -0.048 0.000 1.059 507 D CB 1.122 41.882 40.800 -0.066 0.000 1.104 507 D HN 0.364 nan 8.370 nan 0.000 0.566 508 L N -0.707 120.510 121.223 -0.010 0.000 2.283 508 L HA 0.559 4.899 4.340 -0.000 0.000 0.259 508 L C -0.690 176.192 176.870 0.019 0.000 1.027 508 L CA -1.179 53.674 54.840 0.021 0.000 0.828 508 L CB 1.912 44.009 42.059 0.063 0.000 1.380 508 L HN -0.052 nan 8.230 nan 0.000 0.425 509 V N 1.008 120.945 119.914 0.038 0.000 2.384 509 V HA 0.640 4.760 4.120 -0.000 0.000 0.287 509 V C -0.026 176.093 176.094 0.043 0.000 1.020 509 V CA -0.514 61.803 62.300 0.028 0.000 0.850 509 V CB 1.444 33.283 31.823 0.027 0.000 0.987 509 V HN 0.784 nan 8.190 nan 0.000 0.436 510 A N 6.710 129.549 122.820 0.031 0.000 2.260 510 A HA 0.814 5.134 4.320 -0.000 0.000 0.308 510 A C -0.595 177.010 177.584 0.034 0.000 1.254 510 A CA -0.439 51.623 52.037 0.043 0.000 0.874 510 A CB 0.362 19.384 19.000 0.037 0.000 1.153 510 A HN 0.824 nan 8.150 nan 0.000 0.527 511 L N 3.741 124.992 121.223 0.046 0.000 2.262 511 L HA 0.485 4.825 4.340 -0.000 0.000 0.288 511 L C 0.675 177.566 176.870 0.036 0.000 1.035 511 L CA -0.376 54.484 54.840 0.034 0.000 0.820 511 L CB 1.210 43.291 42.059 0.037 0.000 1.204 511 L HN 0.921 nan 8.230 nan 0.000 0.424 512 T N -0.794 113.777 114.554 0.027 0.000 2.762 512 T HA 0.626 4.976 4.350 -0.000 0.000 0.272 512 T C -0.321 174.391 174.700 0.020 0.000 0.982 512 T CA -0.848 61.268 62.100 0.027 0.000 1.013 512 T CB 2.078 70.962 68.868 0.027 0.000 1.309 512 T HN 0.335 nan 8.240 nan 0.000 0.572 513 S N -0.067 115.643 115.700 0.017 0.000 2.547 513 S HA 0.419 4.889 4.470 -0.000 0.000 0.281 513 S C -0.165 174.442 174.600 0.013 0.000 1.118 513 S CA -0.769 57.440 58.200 0.014 0.000 0.947 513 S CB 0.798 64.005 63.200 0.012 0.000 1.053 513 S HN 0.856 nan 8.310 nan 0.000 0.482 514 N N 2.838 121.546 118.700 0.013 0.000 2.268 514 N HA 0.310 5.050 4.740 -0.000 0.000 0.204 514 N C 1.194 176.710 175.510 0.010 0.000 1.124 514 N CA 0.524 53.581 53.050 0.011 0.000 0.838 514 N CB 0.478 38.972 38.487 0.012 0.000 0.994 514 N HN 0.992 nan 8.380 nan 0.000 0.489 515 G N -0.650 108.156 108.800 0.010 0.000 2.308 515 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.221 515 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.221 515 G C 1.095 176.000 174.900 0.009 0.000 1.032 515 G CA 0.731 45.836 45.100 0.008 0.000 0.623 515 G HN 0.621 nan 8.290 nan 0.000 0.506 516 T N -2.293 112.268 114.554 0.012 0.000 3.085 516 T HA 0.614 4.964 4.350 -0.000 0.000 0.241 516 T C 0.708 175.418 174.700 0.017 0.000 0.988 516 T CA 1.033 63.141 62.100 0.013 0.000 1.117 516 T CB 0.410 69.286 68.868 0.014 0.000 0.978 516 T HN 1.096 nan 8.240 nan 0.000 0.454 517 L N 2.512 123.746 121.223 0.019 0.000 2.307 517 L HA 0.731 5.071 4.340 -0.000 0.000 0.284 517 L C -0.854 176.029 176.870 0.023 0.000 1.023 517 L CA -0.509 54.346 54.840 0.024 0.000 0.810 517 L CB 1.893 43.969 42.059 0.028 0.000 1.231 517 L HN 0.138 nan 8.230 nan 0.000 0.423 518 S N 2.754 118.470 115.700 0.027 0.000 2.541 518 S HA 0.678 5.148 4.470 -0.000 0.000 0.283 518 S C 0.188 174.806 174.600 0.031 0.000 1.196 518 S CA -0.291 57.924 58.200 0.025 0.000 1.062 518 S CB 1.340 64.554 63.200 0.023 0.000 1.009 518 S HN 0.993 nan 8.310 nan 0.000 0.502 519 G N 1.721 110.536 108.800 0.025 0.000 2.353 519 G HA2 0.287 4.247 3.960 -0.000 0.000 0.239 519 G HA3 0.287 4.247 3.960 -0.000 0.000 0.239 519 G C -0.224 174.699 174.900 0.039 0.000 1.295 519 G CA -0.099 45.014 45.100 0.020 0.000 0.884 519 G HN 0.621 nan 8.290 nan 0.000 0.537 520 R N 2.016 122.544 120.500 0.046 0.000 2.575 520 R HA 0.579 4.919 4.340 -0.000 0.000 0.293 520 R C -0.196 176.159 176.300 0.093 0.000 0.983 520 R CA -0.820 55.342 56.100 0.104 0.000 0.887 520 R CB 1.271 31.689 30.300 0.196 0.000 1.184 520 R HN 0.689 nan 8.270 nan 0.000 0.445 521 M N 1.226 120.898 119.600 0.120 0.000 2.465 521 M HA 0.568 5.048 4.480 -0.000 0.000 0.316 521 M C -1.339 175.080 176.300 0.197 0.000 1.121 521 M CA -0.636 54.734 55.300 0.116 0.000 0.934 521 M CB 2.716 35.354 32.600 0.063 0.000 1.692 521 M HN 0.422 nan 8.290 nan 0.000 0.444 522 E N 2.687 123.037 120.200 0.251 0.000 2.224 522 E HA 0.658 5.008 4.350 -0.000 0.000 0.265 522 E C -1.785 174.915 176.600 0.167 0.000 0.878 522 E CA -0.654 55.877 56.400 0.218 0.000 0.759 522 E CB 3.432 33.283 29.700 0.251 0.000 1.164 522 E HN 0.764 nan 8.360 nan 0.000 0.414 523 I N 2.324 122.971 120.570 0.128 0.000 2.466 523 I HA 0.202 4.372 4.170 -0.000 0.000 0.289 523 I C -1.128 175.047 176.117 0.097 0.000 1.026 523 I CA -0.416 60.953 61.300 0.115 0.000 1.078 523 I CB 1.283 39.343 38.000 0.100 0.000 1.249 523 I HN 0.451 nan 8.210 nan 0.000 0.429 524 Q N 6.620 126.478 119.800 0.097 0.000 2.314 524 Q HA 0.462 4.802 4.340 -0.000 0.000 0.259 524 Q C -1.295 174.736 176.000 0.053 0.000 0.951 524 Q CA -0.691 55.155 55.803 0.071 0.000 0.909 524 Q CB 2.055 30.836 28.738 0.072 0.000 1.236 524 Q HN 0.609 nan 8.270 nan 0.000 0.444 525 C N 2.215 121.531 119.300 0.026 0.000 2.529 525 C HA 0.560 5.020 4.460 -0.000 0.000 0.329 525 C C -0.217 174.758 174.990 -0.025 0.000 1.194 525 C CA -1.038 57.980 59.018 -0.000 0.000 1.779 525 C CB 1.442 29.172 27.740 -0.016 0.000 2.322 525 C HN 0.618 nan 8.230 nan 0.000 0.500 526 K N 2.018 122.391 120.400 -0.045 0.000 2.274 526 K HA 0.462 4.782 4.320 -0.000 0.000 0.262 526 K C 0.119 176.669 176.600 -0.082 0.000 0.961 526 K CA 0.071 56.322 56.287 -0.061 0.000 0.833 526 K CB 1.743 34.203 32.500 -0.067 0.000 1.102 526 K HN 0.955 nan 8.250 nan 0.000 0.436 527 T N -0.827 113.682 114.554 -0.076 0.000 2.868 527 T HA 0.299 4.649 4.350 -0.000 0.000 0.292 527 T C 0.776 175.444 174.700 -0.054 0.000 1.028 527 T CA -0.526 61.540 62.100 -0.057 0.000 1.059 527 T CB 0.886 69.760 68.868 0.010 0.000 0.991 527 T HN 0.272 nan 8.240 nan 0.000 0.531 528 S N 0.133 115.846 115.700 0.023 0.000 2.652 528 S HA 0.447 4.917 4.470 -0.000 0.000 0.267 528 S C 0.413 174.972 174.600 -0.069 0.000 1.201 528 S CA -0.814 57.387 58.200 0.002 0.000 0.996 528 S CB 0.113 63.357 63.200 0.073 0.000 1.054 528 S HN 0.617 nan 8.310 nan 0.000 0.561 529 I N 2.506 123.038 120.570 -0.063 0.000 2.342 529 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 529 I C -0.827 175.284 176.117 -0.010 0.000 1.010 529 I CA -0.132 61.076 61.300 -0.154 0.000 1.308 529 I CB 0.137 38.085 38.000 -0.087 0.000 1.400 529 I HN 0.482 nan 8.210 nan 0.000 0.488 530 F N 3.934 123.898 119.950 0.023 0.000 2.662 530 F HA 0.512 5.039 4.527 -0.000 0.000 0.312 530 F C 0.230 176.043 175.800 0.022 0.000 1.113 530 F CA -1.193 56.824 58.000 0.028 0.000 0.951 530 F CB 0.490 39.517 39.000 0.046 0.000 1.344 530 F HN 0.174 nan 8.300 nan 0.000 0.462 531 N N -0.127 118.765 118.700 0.320 0.000 2.415 531 N HA -0.006 4.733 4.740 -0.000 0.000 0.176 531 N C -0.784 174.866 175.510 0.234 0.000 1.042 531 N CA 0.550 53.715 53.050 0.193 0.000 0.902 531 N CB -0.344 38.211 38.487 0.115 0.000 0.986 531 N HN 0.708 nan 8.380 nan 0.000 0.447 532 D N 1.479 122.081 120.400 0.336 0.000 2.472 532 D HA 0.017 4.657 4.640 -0.000 0.000 0.237 532 D C -1.318 175.152 176.300 0.283 0.000 1.141 532 D CA -0.799 53.333 54.000 0.220 0.000 0.875 532 D CB 0.518 41.354 40.800 0.059 0.000 1.192 532 D HN 0.024 nan 8.370 nan 0.000 0.450 533 P HA -0.092 nan 4.420 nan 0.000 0.216 533 P C 0.014 177.435 177.300 0.202 0.000 1.153 533 P CA 1.511 64.694 63.100 0.139 0.000 0.858 533 P CB 0.207 31.957 31.700 0.083 0.000 0.789 534 T N -4.718 109.955 114.554 0.198 0.000 2.889 534 T HA 0.595 4.945 4.350 -0.000 0.000 0.315 534 T C -0.900 173.840 174.700 0.066 0.000 1.291 534 T CA -1.099 61.131 62.100 0.216 0.000 1.028 534 T CB 2.237 71.187 68.868 0.136 0.000 1.235 534 T HN -0.207 nan 8.240 nan 0.000 0.491 535 R N 0.639 121.143 120.500 0.007 0.000 2.807 535 R HA 0.748 5.088 4.340 -0.000 0.000 0.276 535 R C -0.765 175.394 176.300 -0.235 0.000 0.979 535 R CA -0.973 54.956 56.100 -0.286 0.000 0.928 535 R CB 2.441 32.313 30.300 -0.714 0.000 1.191 535 R HN 0.725 nan 8.270 nan 0.000 0.471 536 S N 1.430 116.907 115.700 -0.372 0.000 2.508 536 S HA 0.495 4.965 4.470 -0.000 0.000 0.284 536 S C -1.248 173.069 174.600 -0.472 0.000 1.192 536 S CA -0.401 57.641 58.200 -0.263 0.000 1.070 536 S CB 0.546 63.651 63.200 -0.158 0.000 1.004 536 S HN 0.336 nan 8.310 nan 0.000 0.493 537 Y N 0.118 120.353 120.300 -0.108 0.000 2.457 537 Y HA 0.562 5.112 4.550 -0.000 0.000 0.343 537 Y C 0.683 176.540 175.900 -0.072 0.000 0.994 537 Y CA -0.888 57.157 58.100 -0.091 0.000 1.031 537 Y CB 1.643 40.038 38.460 -0.108 0.000 1.246 537 Y HN 0.781 nan 8.280 nan 0.000 0.449 538 G N 1.591 110.473 108.800 0.137 0.000 2.504 538 G HA2 0.496 4.456 3.960 -0.000 0.000 0.288 538 G HA3 0.496 4.456 3.960 -0.000 0.000 0.288 538 G C -1.765 173.220 174.900 0.143 0.000 1.182 538 G CA -0.425 44.755 45.100 0.134 0.000 0.894 538 G HN 0.476 nan 8.290 nan 0.000 0.521 539 L N 0.360 121.700 121.223 0.196 0.000 2.376 539 L HA 0.681 5.021 4.340 -0.000 0.000 0.275 539 L C -0.054 176.925 176.870 0.182 0.000 0.987 539 L CA -0.784 54.168 54.840 0.186 0.000 0.828 539 L CB 1.666 43.889 42.059 0.274 0.000 1.249 539 L HN 0.611 nan 8.230 nan 0.000 0.409 540 R N 4.598 125.191 120.500 0.156 0.000 2.803 540 R HA 0.814 5.154 4.340 -0.000 0.000 0.276 540 R C -1.481 174.932 176.300 0.188 0.000 0.978 540 R CA -0.680 55.524 56.100 0.174 0.000 0.939 540 R CB 1.533 31.937 30.300 0.173 0.000 1.179 540 R HN 0.730 nan 8.270 nan 0.000 0.472 541 I N 2.728 123.422 120.570 0.207 0.000 2.498 541 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 541 I C -0.389 175.838 176.117 0.183 0.000 1.032 541 I CA -0.838 60.571 61.300 0.181 0.000 1.073 541 I CB 2.102 40.184 38.000 0.136 0.000 1.251 541 I HN 0.478 nan 8.210 nan 0.000 0.426 542 R N 6.641 127.160 120.500 0.032 0.000 2.229 542 R HA 0.529 4.869 4.340 -0.000 0.000 0.332 542 R C -1.584 174.768 176.300 0.087 0.000 0.989 542 R CA -0.303 55.633 56.100 -0.274 0.000 0.842 542 R CB 0.811 30.853 30.300 -0.430 0.000 1.119 542 R HN 0.660 nan 8.270 nan 0.000 0.456 543 Y N 0.867 121.171 120.300 0.006 0.000 2.728 543 Y HA 0.824 5.373 4.550 -0.000 0.000 0.330 543 Y C -1.827 174.085 175.900 0.020 0.000 1.234 543 Y CA -1.301 56.860 58.100 0.102 0.000 1.070 543 Y CB 1.208 39.696 38.460 0.046 0.000 1.300 543 Y HN 0.512 nan 8.280 nan 0.000 0.467 544 A N 1.114 123.876 122.820 -0.097 0.000 2.449 544 A HA 0.979 5.299 4.320 -0.000 0.000 0.302 544 A C -1.408 176.378 177.584 0.336 0.000 1.048 544 A CA -0.263 51.650 52.037 -0.207 0.000 0.708 544 A CB 1.203 19.837 19.000 -0.611 0.000 1.274 544 A HN 1.826 nan 8.150 nan 0.000 0.410 545 A N 1.492 124.547 122.820 0.391 0.000 2.549 545 A HA 0.651 4.971 4.320 -0.000 0.000 0.297 545 A C -0.210 177.205 177.584 -0.281 0.000 1.061 545 A CA -0.363 51.818 52.037 0.240 0.000 0.690 545 A CB 1.042 20.209 19.000 0.277 0.000 1.287 545 A HN 1.277 nan 8.150 nan 0.000 0.402 546 N N 0.333 118.713 118.700 -0.534 0.000 2.235 546 N HA 0.261 5.001 4.740 -0.000 0.000 0.209 546 N C -0.192 175.116 175.510 -0.337 0.000 1.122 546 N CA 0.562 53.140 53.050 -0.787 0.000 0.845 546 N CB 0.819 38.793 38.487 -0.855 0.000 1.004 546 N HN 0.706 nan 8.380 nan 0.000 0.499 547 S N -0.461 115.130 115.700 -0.182 0.000 2.622 547 S HA 0.355 4.825 4.470 -0.000 0.000 0.275 547 S C -3.227 171.346 174.600 -0.045 0.000 1.112 547 S CA -0.805 57.336 58.200 -0.099 0.000 0.837 547 S CB 0.810 63.958 63.200 -0.088 0.000 1.082 547 S HN -0.094 nan 8.310 nan 0.000 0.456 548 P HA 0.429 nan 4.420 nan 0.000 0.273 548 P C -1.112 176.172 177.300 -0.027 0.000 1.319 548 P CA 0.196 63.286 63.100 -0.017 0.000 0.885 548 P CB -0.212 31.480 31.700 -0.013 0.000 1.015 549 I N 3.177 123.725 120.570 -0.036 0.000 2.433 549 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 549 I C 0.047 176.131 176.117 -0.054 0.000 1.001 549 I CA -1.250 60.026 61.300 -0.041 0.000 1.119 549 I CB 2.092 40.071 38.000 -0.036 0.000 1.289 549 I HN -0.063 nan 8.210 nan 0.000 0.438 550 V N 7.129 127.018 119.914 -0.041 0.000 2.508 550 V HA 0.210 4.330 4.120 -0.000 0.000 0.281 550 V C 0.173 176.240 176.094 -0.044 0.000 1.041 550 V CA -0.081 62.193 62.300 -0.043 0.000 1.016 550 V CB 0.690 32.495 31.823 -0.030 0.000 0.984 550 V HN 0.434 nan 8.190 nan 0.000 0.478 551 L N 4.815 126.004 121.223 -0.057 0.000 2.346 551 L HA 0.537 4.877 4.340 -0.000 0.000 0.276 551 L C 0.075 176.928 176.870 -0.029 0.000 1.006 551 L CA -0.505 54.308 54.840 -0.046 0.000 0.817 551 L CB 1.673 43.687 42.059 -0.075 0.000 1.272 551 L HN 0.529 nan 8.230 nan 0.000 0.421 552 N N 2.055 120.754 118.700 -0.003 0.000 2.426 552 N HA 0.387 5.127 4.740 -0.000 0.000 0.257 552 N C -1.179 174.358 175.510 0.044 0.000 1.002 552 N CA -0.121 52.937 53.050 0.014 0.000 0.942 552 N CB 2.041 40.543 38.487 0.024 0.000 1.112 552 N HN 0.189 nan 8.380 nan 0.000 0.499 553 V N 1.903 121.854 119.914 0.061 0.000 2.487 553 V HA 0.536 4.656 4.120 -0.000 0.000 0.298 553 V C -0.010 176.246 176.094 0.271 0.000 1.028 553 V CA -0.673 61.714 62.300 0.145 0.000 0.860 553 V CB 1.516 33.420 31.823 0.135 0.000 0.991 553 V HN 0.757 nan 8.190 nan 0.000 0.427 554 S N 3.812 119.685 115.700 0.289 0.000 2.618 554 S HA 0.902 5.372 4.470 -0.000 0.000 0.277 554 S C -1.259 173.516 174.600 0.291 0.000 1.138 554 S CA -0.832 57.551 58.200 0.305 0.000 0.844 554 S CB 2.240 65.521 63.200 0.135 0.000 1.127 554 S HN 1.064 nan 8.310 nan 0.000 0.474 555 Y N -1.109 119.217 120.300 0.043 0.000 2.421 555 Y HA 0.806 5.356 4.550 -0.000 0.000 0.339 555 Y C -1.688 174.194 175.900 -0.031 0.000 0.996 555 Y CA -1.357 56.720 58.100 -0.039 0.000 1.046 555 Y CB 1.072 39.431 38.460 -0.168 0.000 1.226 555 Y HN 0.525 nan 8.280 nan 0.000 0.445 556 V N 5.641 125.566 119.914 0.018 0.000 2.459 556 V HA 0.559 4.679 4.120 -0.000 0.000 0.295 556 V C -0.986 175.121 176.094 0.021 0.000 1.029 556 V CA -0.609 61.660 62.300 -0.053 0.000 0.874 556 V CB 1.386 33.191 31.823 -0.031 0.000 0.985 556 V HN 0.765 nan 8.190 nan 0.000 0.438 557 L N 4.656 125.874 121.223 -0.007 0.000 2.439 557 L HA 0.538 4.878 4.340 -0.000 0.000 0.270 557 L C -0.043 176.830 176.870 0.006 0.000 0.972 557 L CA 0.157 55.020 54.840 0.039 0.000 0.836 557 L CB 1.607 43.731 42.059 0.107 0.000 1.255 557 L HN 0.796 nan 8.230 nan 0.000 0.404 558 Q N 4.360 124.163 119.800 0.005 0.000 2.463 558 Q HA -0.185 4.155 4.340 -0.000 0.000 0.299 558 Q C 1.106 177.098 176.000 -0.014 0.000 1.353 558 Q CA 1.018 56.818 55.803 -0.004 0.000 0.828 558 Q CB -1.646 27.094 28.738 0.002 0.000 1.157 558 Q HN 1.452 nan 8.270 nan 0.000 0.436 559 G N -2.179 106.609 108.800 -0.020 0.000 2.220 559 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.269 559 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.269 559 G C 0.259 175.135 174.900 -0.040 0.000 0.977 559 G CA 0.234 45.318 45.100 -0.028 0.000 0.634 559 G HN 0.498 nan 8.290 nan 0.000 0.539 560 V N 1.142 121.026 119.914 -0.050 0.000 2.407 560 V HA 0.680 4.800 4.120 -0.000 0.000 0.278 560 V C 0.543 176.558 176.094 -0.132 0.000 1.037 560 V CA 0.185 62.440 62.300 -0.074 0.000 0.900 560 V CB 1.630 33.415 31.823 -0.064 0.000 0.983 560 V HN 0.463 nan 8.190 nan 0.000 0.459 561 S N 5.773 121.394 115.700 -0.132 0.000 2.489 561 S HA 0.704 5.174 4.470 -0.000 0.000 0.291 561 S C -0.415 174.056 174.600 -0.214 0.000 1.151 561 S CA -0.724 57.368 58.200 -0.181 0.000 1.082 561 S CB 0.655 63.796 63.200 -0.098 0.000 1.019 561 S HN 0.743 nan 8.310 nan 0.000 0.492 562 R N 2.018 122.299 120.500 -0.365 0.000 2.561 562 R HA 0.665 5.004 4.340 -0.000 0.000 0.297 562 R C -0.038 176.253 176.300 -0.015 0.000 0.969 562 R CA -0.598 55.354 56.100 -0.246 0.000 0.879 562 R CB 2.094 32.142 30.300 -0.421 0.000 1.178 562 R HN 0.747 nan 8.270 nan 0.000 0.445 563 G N -0.145 108.738 108.800 0.139 0.000 2.798 563 G HA2 0.633 4.593 3.960 -0.000 0.000 0.286 563 G HA3 0.633 4.593 3.960 -0.000 0.000 0.286 563 G C -1.217 173.774 174.900 0.151 0.000 1.389 563 G CA -0.256 44.986 45.100 0.237 0.000 0.894 563 G HN 0.427 nan 8.290 nan 0.000 0.488 564 T N -1.675 112.896 114.554 0.028 0.000 2.711 564 T HA 0.721 5.071 4.350 -0.000 0.000 0.302 564 T C -1.000 173.642 174.700 -0.096 0.000 1.373 564 T CA 0.237 62.267 62.100 -0.117 0.000 1.000 564 T CB 1.484 70.114 68.868 -0.397 0.000 1.483 564 T HN 1.331 nan 8.240 nan 0.000 0.499 565 T N 0.493 114.984 114.554 -0.105 0.000 2.893 565 T HA 0.829 5.179 4.350 -0.000 0.000 0.291 565 T C -0.852 173.790 174.700 -0.095 0.000 1.028 565 T CA -0.738 61.316 62.100 -0.077 0.000 0.995 565 T CB 1.355 70.194 68.868 -0.048 0.000 1.051 565 T HN 0.779 nan 8.240 nan 0.000 0.470 566 I N 0.851 121.369 120.570 -0.087 0.000 2.775 566 I HA 0.530 4.700 4.170 -0.000 0.000 0.295 566 I C -1.161 174.904 176.117 -0.087 0.000 1.287 566 I CA -0.491 60.757 61.300 -0.087 0.000 1.029 566 I CB 2.306 40.245 38.000 -0.102 0.000 1.282 566 I HN 0.810 nan 8.210 nan 0.000 0.426 567 S N 3.500 119.156 115.700 -0.073 0.000 2.525 567 S HA 0.534 5.004 4.470 -0.000 0.000 0.290 567 S C -0.151 174.391 174.600 -0.097 0.000 1.152 567 S CA -0.533 57.622 58.200 -0.075 0.000 1.072 567 S CB 1.549 64.724 63.200 -0.043 0.000 1.027 567 S HN 0.716 nan 8.310 nan 0.000 0.500 568 T N 0.533 115.006 114.554 -0.135 0.000 2.816 568 T HA 0.475 4.825 4.350 -0.000 0.000 0.282 568 T C -0.200 174.524 174.700 0.040 0.000 0.993 568 T CA -0.773 61.230 62.100 -0.161 0.000 0.994 568 T CB 0.444 69.164 68.868 -0.246 0.000 1.025 568 T HN 0.582 nan 8.240 nan 0.000 0.529 569 E N 0.132 120.454 120.200 0.204 0.000 2.232 569 E HA 0.438 4.788 4.350 -0.000 0.000 0.264 569 E C -0.674 176.005 176.600 0.132 0.000 0.973 569 E CA -0.922 55.564 56.400 0.143 0.000 0.849 569 E CB 1.519 31.311 29.700 0.153 0.000 1.198 569 E HN 0.599 nan 8.360 nan 0.000 0.407 570 S N 0.418 116.143 115.700 0.042 0.000 2.448 570 S HA 0.061 4.531 4.470 -0.000 0.000 0.279 570 S C 0.790 175.380 174.600 -0.016 0.000 1.195 570 S CA -0.214 57.970 58.200 -0.027 0.000 1.051 570 S CB 0.102 63.262 63.200 -0.067 0.000 0.948 570 S HN 0.633 nan 8.310 nan 0.000 0.493 571 T N 2.395 116.938 114.554 -0.017 0.000 3.001 571 T HA 0.348 4.698 4.350 -0.000 0.000 0.251 571 T C 0.110 174.872 174.700 0.102 0.000 1.040 571 T CA -0.247 61.863 62.100 0.016 0.000 0.985 571 T CB -0.355 68.481 68.868 -0.054 0.000 1.011 571 T HN 0.676 nan 8.240 nan 0.000 0.509 572 F N 0.374 120.281 119.950 -0.071 0.000 2.741 572 F HA 0.774 5.301 4.527 -0.000 0.000 0.313 572 F C -1.656 174.123 175.800 -0.036 0.000 1.153 572 F CA -1.061 56.901 58.000 -0.064 0.000 0.931 572 F CB 1.228 40.165 39.000 -0.104 0.000 1.335 572 F HN 0.092 nan 8.300 nan 0.000 0.460 573 S N 1.615 117.375 115.700 0.100 0.000 2.536 573 S HA 0.858 5.328 4.470 -0.000 0.000 0.271 573 S C -1.671 173.038 174.600 0.182 0.000 1.134 573 S CA -0.970 57.225 58.200 -0.008 0.000 0.897 573 S CB 2.392 65.570 63.200 -0.037 0.000 1.094 573 S HN 0.895 nan 8.310 nan 0.000 0.473 574 R N 0.870 121.460 120.500 0.150 0.000 2.673 574 R HA 0.566 4.906 4.340 -0.000 0.000 0.281 574 R C -3.296 173.050 176.300 0.076 0.000 0.991 574 R CA -2.038 54.148 56.100 0.143 0.000 0.896 574 R CB 1.376 31.798 30.300 0.203 0.000 1.201 574 R HN 0.479 nan 8.270 nan 0.000 0.457 575 P HA 0.077 nan 4.420 nan 0.000 0.264 575 P C -0.222 177.099 177.300 0.034 0.000 1.193 575 P CA 0.277 63.398 63.100 0.035 0.000 0.763 575 P CB 0.386 32.104 31.700 0.029 0.000 0.810 576 N N 1.756 120.470 118.700 0.024 0.000 2.778 576 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 576 N C -0.387 175.140 175.510 0.028 0.000 1.069 576 N CA 1.033 54.096 53.050 0.021 0.000 0.831 576 N CB -2.015 36.484 38.487 0.021 0.000 1.142 576 N HN 0.565 nan 8.380 nan 0.000 0.573 577 N N -0.619 118.103 118.700 0.037 0.000 2.716 577 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 577 N C -0.403 175.149 175.510 0.071 0.000 1.033 577 N CA 0.975 54.056 53.050 0.051 0.000 0.727 577 N CB -0.611 37.890 38.487 0.022 0.000 0.950 577 N HN 0.473 nan 8.380 nan 0.000 0.541 578 I N 0.728 121.341 120.570 0.072 0.000 2.575 578 I HA 0.086 4.256 4.170 -0.000 0.000 0.285 578 I C 1.319 177.484 176.117 0.081 0.000 1.085 578 I CA -0.657 60.680 61.300 0.061 0.000 1.403 578 I CB 0.195 38.222 38.000 0.044 0.000 1.409 578 I HN 0.109 nan 8.210 nan 0.000 0.557 579 I N 7.966 128.573 120.570 0.062 0.000 2.828 579 I HA -0.040 4.130 4.170 -0.000 0.000 0.292 579 I C -1.600 174.524 176.117 0.013 0.000 1.206 579 I CA -1.120 60.211 61.300 0.051 0.000 1.420 579 I CB -0.544 37.474 38.000 0.031 0.000 1.368 579 I HN 0.267 nan 8.210 nan 0.000 0.556 580 P HA 0.082 nan 4.420 nan 0.000 0.271 580 P C 0.472 177.714 177.300 -0.096 0.000 1.226 580 P CA -0.095 62.934 63.100 -0.118 0.000 0.765 580 P CB 0.540 32.016 31.700 -0.374 0.000 0.835 581 T N -1.905 112.621 114.554 -0.047 0.000 3.054 581 T HA 0.071 4.421 4.350 -0.000 0.000 0.255 581 T C 0.346 175.042 174.700 -0.007 0.000 1.035 581 T CA -0.029 62.060 62.100 -0.019 0.000 0.941 581 T CB -0.355 68.517 68.868 0.006 0.000 1.026 581 T HN 0.390 nan 8.240 nan 0.000 0.533 582 D N 1.066 121.454 120.400 -0.021 0.000 2.895 582 D HA 0.228 4.868 4.640 -0.000 0.000 0.350 582 D C 0.026 176.338 176.300 0.021 0.000 1.389 582 D CA -0.646 53.366 54.000 0.021 0.000 0.812 582 D CB -0.809 40.010 40.800 0.031 0.000 1.164 582 D HN 0.341 nan 8.370 nan 0.000 0.455 583 L N 0.676 121.878 121.223 -0.034 0.000 2.525 583 L HA 0.047 4.387 4.340 -0.000 0.000 0.278 583 L C 0.963 177.981 176.870 0.247 0.000 1.218 583 L CA 0.358 55.158 54.840 -0.068 0.000 0.878 583 L CB 0.469 42.394 42.059 -0.224 0.000 1.127 583 L HN -0.102 nan 8.230 nan 0.000 0.492 584 K N 2.281 122.787 120.400 0.176 0.000 2.106 584 K HA 0.068 4.388 4.320 -0.000 0.000 0.246 584 K C 0.538 177.338 176.600 0.333 0.000 0.987 584 K CA -0.604 55.836 56.287 0.255 0.000 0.904 584 K CB 0.720 33.302 32.500 0.137 0.000 1.071 584 K HN 0.376 nan 8.250 nan 0.000 0.453 585 Y N 2.296 122.613 120.300 0.028 0.000 2.114 585 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 585 Y C 1.915 177.936 175.900 0.202 0.000 1.165 585 Y CA 2.520 60.676 58.100 0.093 0.000 1.148 585 Y CB 0.097 38.511 38.460 -0.075 0.000 0.972 585 Y HN 0.768 nan 8.280 nan 0.000 0.504 586 E N -0.426 119.902 120.200 0.213 0.000 2.401 586 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 586 E C 1.258 177.871 176.600 0.022 0.000 1.023 586 E CA 1.417 57.883 56.400 0.108 0.000 0.859 586 E CB -0.393 29.387 29.700 0.133 0.000 0.780 586 E HN 0.649 nan 8.360 nan 0.000 0.523 587 E N -0.040 120.157 120.200 -0.004 0.000 2.489 587 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 587 E C -0.676 175.695 176.600 -0.382 0.000 1.057 587 E CA -0.156 56.160 56.400 -0.139 0.000 0.866 587 E CB 0.141 29.741 29.700 -0.167 0.000 0.916 587 E HN 0.204 nan 8.360 nan 0.000 0.500 588 F N 0.998 120.823 119.950 -0.208 0.000 2.427 588 F HA 0.405 4.932 4.527 -0.000 0.000 0.346 588 F C 0.732 176.296 175.800 -0.392 0.000 1.120 588 F CA -0.654 57.140 58.000 -0.343 0.000 1.033 588 F CB 1.169 39.971 39.000 -0.330 0.000 1.126 588 F HN -0.288 nan 8.300 nan 0.000 0.462 589 R N 1.583 121.821 120.500 -0.436 0.000 3.018 589 R HA 0.616 4.956 4.340 -0.000 0.000 0.243 589 R C -1.782 174.356 176.300 -0.271 0.000 1.315 589 R CA -1.255 54.692 56.100 -0.256 0.000 1.039 589 R CB 1.846 32.011 30.300 -0.225 0.000 1.315 589 R HN 0.447 nan 8.270 nan 0.000 0.492 590 Y N -0.132 120.216 120.300 0.081 0.000 2.499 590 Y HA 0.481 5.031 4.550 -0.000 0.000 0.347 590 Y C -0.130 175.945 175.900 0.291 0.000 0.987 590 Y CA -0.889 57.342 58.100 0.219 0.000 1.044 590 Y CB 1.800 40.319 38.460 0.098 0.000 1.245 590 Y HN 0.014 nan 8.280 nan 0.000 0.461 591 K N 1.424 122.072 120.400 0.414 0.000 2.469 591 K HA 0.369 4.689 4.320 -0.000 0.000 0.254 591 K C -1.794 174.896 176.600 0.149 0.000 0.939 591 K CA -0.817 55.597 56.287 0.212 0.000 0.812 591 K CB 2.201 34.737 32.500 0.060 0.000 1.301 591 K HN 0.622 nan 8.250 nan 0.000 0.433 592 D N 3.160 123.613 120.400 0.088 0.000 2.460 592 D HA 0.188 4.828 4.640 -0.000 0.000 0.268 592 D C -1.460 174.848 176.300 0.015 0.000 1.153 592 D CA -1.358 52.686 54.000 0.073 0.000 0.929 592 D CB 1.293 42.131 40.800 0.062 0.000 1.015 592 D HN 0.085 nan 8.370 nan 0.000 0.502 593 P HA -0.163 nan 4.420 nan 0.000 0.216 593 P C -0.139 176.930 177.300 -0.384 0.000 1.150 593 P CA 0.905 63.898 63.100 -0.178 0.000 0.843 593 P CB 0.304 31.940 31.700 -0.107 0.000 0.787 594 F N 0.589 120.565 119.950 0.043 0.000 2.495 594 F HA 0.340 4.867 4.527 -0.000 0.000 0.327 594 F C 0.709 176.524 175.800 0.024 0.000 1.103 594 F CA -0.695 57.328 58.000 0.037 0.000 0.949 594 F CB 1.468 40.481 39.000 0.020 0.000 1.142 594 F HN -0.087 nan 8.300 nan 0.000 0.457 595 D N 1.180 121.684 120.400 0.173 0.000 2.867 595 D HA 0.456 5.096 4.640 -0.000 0.000 0.308 595 D C 0.639 176.984 176.300 0.076 0.000 1.202 595 D CA -0.501 53.557 54.000 0.096 0.000 1.035 595 D CB 0.478 41.306 40.800 0.047 0.000 1.427 595 D HN 0.416 nan 8.370 nan 0.000 0.570 596 A N -0.322 122.519 122.820 0.035 0.000 2.019 596 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 596 A C 1.973 179.571 177.584 0.023 0.000 1.164 596 A CA 1.227 53.273 52.037 0.015 0.000 0.644 596 A CB -0.821 18.177 19.000 -0.004 0.000 0.805 596 A HN 0.508 nan 8.150 nan 0.000 0.449 597 I N -0.791 119.797 120.570 0.030 0.000 2.235 597 I HA -0.034 4.136 4.170 -0.000 0.000 0.241 597 I C 0.523 176.673 176.117 0.056 0.000 1.085 597 I CA 1.185 62.503 61.300 0.031 0.000 1.378 597 I CB -0.962 37.050 38.000 0.020 0.000 1.076 597 I HN 0.035 nan 8.210 nan 0.000 0.415 598 V N 3.987 123.952 119.914 0.086 0.000 2.380 598 V HA 0.301 4.421 4.120 -0.000 0.000 0.268 598 V C -2.325 173.932 176.094 0.271 0.000 1.008 598 V CA -1.118 61.272 62.300 0.150 0.000 0.823 598 V CB 1.432 33.330 31.823 0.125 0.000 1.053 598 V HN 0.127 nan 8.190 nan 0.000 0.446 599 P HA 0.445 nan 4.420 nan 0.000 0.284 599 P C -0.541 176.801 177.300 0.069 0.000 1.287 599 P CA -0.905 62.304 63.100 0.182 0.000 0.824 599 P CB 1.436 33.172 31.700 0.060 0.000 1.180 600 M N 0.766 120.225 119.600 -0.236 0.000 2.185 600 M HA 0.259 4.739 4.480 -0.000 0.000 0.357 600 M C 0.722 176.879 176.300 -0.237 0.000 1.260 600 M CA 0.301 55.166 55.300 -0.726 0.000 1.124 600 M CB 0.425 32.327 32.600 -1.163 0.000 1.600 600 M HN 0.117 nan 8.290 nan 0.000 0.467 601 R N 4.288 124.755 120.500 -0.055 0.000 2.239 601 R HA 0.594 4.934 4.340 -0.000 0.000 0.332 601 R C -1.247 175.142 176.300 0.148 0.000 0.988 601 R CA -0.344 55.806 56.100 0.084 0.000 0.859 601 R CB 0.649 31.024 30.300 0.125 0.000 1.148 601 R HN 0.635 nan 8.270 nan 0.000 0.482 602 L N 1.549 122.884 121.223 0.187 0.000 2.334 602 L HA 0.510 4.850 4.340 -0.000 0.000 0.273 602 L C 0.496 177.571 176.870 0.342 0.000 1.013 602 L CA -0.895 54.084 54.840 0.230 0.000 0.816 602 L CB 2.008 44.175 42.059 0.181 0.000 1.278 602 L HN 0.573 nan 8.230 nan 0.000 0.431 603 S N 0.082 115.925 115.700 0.237 0.000 2.693 603 S HA 0.383 4.853 4.470 -0.000 0.000 0.276 603 S C 0.002 174.589 174.600 -0.021 0.000 1.192 603 S CA -0.735 57.577 58.200 0.187 0.000 0.994 603 S CB 1.695 64.938 63.200 0.071 0.000 1.012 603 S HN 0.567 nan 8.310 nan 0.000 0.550 604 S N 1.142 116.563 115.700 -0.465 0.000 2.549 604 S HA 0.162 4.632 4.470 -0.000 0.000 0.283 604 S C 0.459 174.808 174.600 -0.418 0.000 1.320 604 S CA -0.091 57.535 58.200 -0.956 0.000 1.058 604 S CB -0.908 61.627 63.200 -1.109 0.000 0.882 604 S HN 0.934 nan 8.310 nan 0.000 0.498 605 N N 2.571 121.067 118.700 -0.340 0.000 2.667 605 N HA -0.150 4.590 4.740 -0.000 0.000 0.263 605 N C -1.196 174.242 175.510 -0.120 0.000 1.038 605 N CA 0.881 53.821 53.050 -0.183 0.000 0.749 605 N CB -0.721 37.665 38.487 -0.168 0.000 0.892 605 N HN 0.673 nan 8.380 nan 0.000 0.546 606 Q N 0.047 119.792 119.800 -0.091 0.000 2.433 606 Q HA 0.455 4.795 4.340 -0.000 0.000 0.279 606 Q C -0.480 175.499 176.000 -0.035 0.000 1.105 606 Q CA -0.953 54.819 55.803 -0.051 0.000 0.815 606 Q CB 1.789 30.511 28.738 -0.028 0.000 1.403 606 Q HN 0.337 nan 8.270 nan 0.000 0.435 607 L N 2.519 123.730 121.223 -0.020 0.000 2.260 607 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 607 L C -1.007 175.868 176.870 0.008 0.000 1.057 607 L CA -0.120 54.714 54.840 -0.009 0.000 0.811 607 L CB 0.356 42.413 42.059 -0.004 0.000 1.184 607 L HN 0.399 nan 8.230 nan 0.000 0.429 608 I N 4.253 124.830 120.570 0.011 0.000 2.359 608 I HA 0.306 4.476 4.170 -0.000 0.000 0.294 608 I C 0.178 176.323 176.117 0.048 0.000 0.987 608 I CA -0.319 61.003 61.300 0.038 0.000 1.225 608 I CB 1.259 39.270 38.000 0.019 0.000 1.366 608 I HN 0.506 nan 8.210 nan 0.000 0.466 609 T N 7.387 121.979 114.554 0.063 0.000 2.753 609 T HA 0.586 4.936 4.350 -0.000 0.000 0.297 609 T C 0.262 175.017 174.700 0.093 0.000 0.981 609 T CA -0.224 61.914 62.100 0.063 0.000 0.956 609 T CB 0.653 69.542 68.868 0.036 0.000 0.936 609 T HN 0.262 nan 8.240 nan 0.000 0.463 610 I N 2.941 123.569 120.570 0.098 0.000 2.377 610 I HA 0.685 4.855 4.170 -0.000 0.000 0.293 610 I C 0.223 176.414 176.117 0.123 0.000 0.987 610 I CA -0.773 60.601 61.300 0.124 0.000 1.185 610 I CB 1.419 39.481 38.000 0.105 0.000 1.341 610 I HN 0.622 nan 8.210 nan 0.000 0.455 611 A N 7.462 130.363 122.820 0.136 0.000 2.435 611 A HA 0.902 5.222 4.320 -0.000 0.000 0.304 611 A C -0.944 176.716 177.584 0.127 0.000 1.064 611 A CA -0.493 51.620 52.037 0.127 0.000 0.727 611 A CB 1.395 20.460 19.000 0.108 0.000 1.284 611 A HN 0.639 nan 8.150 nan 0.000 0.415 612 I N 0.826 121.463 120.570 0.112 0.000 2.533 612 I HA 0.538 4.708 4.170 -0.000 0.000 0.290 612 I C -0.605 175.558 176.117 0.077 0.000 1.056 612 I CA -0.257 61.096 61.300 0.088 0.000 1.057 612 I CB 2.247 40.292 38.000 0.075 0.000 1.240 612 I HN 0.809 nan 8.210 nan 0.000 0.423 613 Q N 7.664 127.498 119.800 0.058 0.000 2.313 613 Q HA 0.429 4.769 4.340 -0.000 0.000 0.255 613 Q C -2.817 173.200 176.000 0.028 0.000 0.944 613 Q CA -1.497 54.336 55.803 0.051 0.000 0.881 613 Q CB 3.101 31.880 28.738 0.067 0.000 1.375 613 Q HN 0.215 nan 8.270 nan 0.000 0.422 614 P HA 0.030 nan 4.420 nan 0.000 0.269 614 P C -1.197 176.108 177.300 0.007 0.000 1.215 614 P CA -0.328 62.774 63.100 0.003 0.000 0.780 614 P CB 0.455 32.157 31.700 0.003 0.000 0.898 615 L N 3.642 124.864 121.223 -0.001 0.000 2.265 615 L HA 0.340 4.680 4.340 -0.000 0.000 0.289 615 L C -0.161 176.709 176.870 -0.000 0.000 1.033 615 L CA -0.174 54.667 54.840 0.001 0.000 0.814 615 L CB -0.544 41.513 42.059 -0.004 0.000 1.203 615 L HN 0.329 nan 8.230 nan 0.000 0.423 616 N N 4.779 123.482 118.700 0.004 0.000 2.637 616 N HA -0.268 4.472 4.740 -0.000 0.000 0.287 616 N C -0.539 174.970 175.510 -0.000 0.000 1.130 616 N CA 1.039 54.091 53.050 0.003 0.000 0.764 616 N CB -0.519 37.969 38.487 0.001 0.000 0.935 616 N HN 0.720 nan 8.380 nan 0.000 0.558 617 M N 0.728 120.329 119.600 0.002 0.000 2.423 617 M HA 0.208 4.688 4.480 -0.000 0.000 0.335 617 M C 1.015 177.315 176.300 -0.000 0.000 1.177 617 M CA -0.494 54.805 55.300 -0.001 0.000 1.038 617 M CB 1.122 33.722 32.600 0.001 0.000 1.641 617 M HN 0.384 nan 8.290 nan 0.000 0.455 618 T N 0.420 114.972 114.554 -0.004 0.000 2.766 618 T HA 0.143 4.492 4.350 -0.000 0.000 0.295 618 T C 1.119 175.819 174.700 0.000 0.000 1.024 618 T CA -0.159 61.940 62.100 -0.003 0.000 1.018 618 T CB 0.564 69.427 68.868 -0.008 0.000 1.002 618 T HN 0.812 nan 8.240 nan 0.000 0.532 619 S N 0.326 116.027 115.700 0.002 0.000 2.515 619 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 619 S C 1.279 175.883 174.600 0.006 0.000 0.987 619 S CA 0.172 58.375 58.200 0.005 0.000 0.936 619 S CB -0.448 62.756 63.200 0.005 0.000 0.766 619 S HN 0.733 nan 8.310 nan 0.000 0.528 620 N N 1.437 120.137 118.700 0.000 0.000 2.220 620 N HA 0.190 4.930 4.740 -0.000 0.000 0.195 620 N C -0.549 174.956 175.510 -0.008 0.000 1.123 620 N CA -0.016 53.033 53.050 -0.002 0.000 0.874 620 N CB 0.001 38.483 38.487 -0.008 0.000 0.995 620 N HN 0.561 nan 8.380 nan 0.000 0.498 621 N N 1.200 119.894 118.700 -0.010 0.000 2.529 621 N HA 0.172 4.912 4.740 -0.000 0.000 0.278 621 N C -0.550 174.966 175.510 0.009 0.000 1.146 621 N CA 0.139 53.178 53.050 -0.017 0.000 0.980 621 N CB 0.709 39.185 38.487 -0.018 0.000 1.124 621 N HN 0.003 nan 8.380 nan 0.000 0.458 622 Q N 0.963 120.774 119.800 0.018 0.000 2.305 622 Q HA 0.492 4.832 4.340 -0.000 0.000 0.271 622 Q C -1.532 174.533 176.000 0.109 0.000 1.046 622 Q CA -0.762 55.088 55.803 0.078 0.000 0.798 622 Q CB 2.801 31.628 28.738 0.149 0.000 1.286 622 Q HN 0.234 nan 8.270 nan 0.000 0.435 623 V N 3.793 123.772 119.914 0.108 0.000 2.407 623 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 623 V C -0.628 175.552 176.094 0.143 0.000 1.018 623 V CA -0.468 61.910 62.300 0.131 0.000 0.842 623 V CB 1.343 33.200 31.823 0.057 0.000 0.996 623 V HN 0.675 nan 8.190 nan 0.000 0.426 624 I N 5.904 126.588 120.570 0.190 0.000 2.330 624 I HA 0.446 4.616 4.170 -0.000 0.000 0.289 624 I C -0.614 175.619 176.117 0.193 0.000 1.001 624 I CA -0.508 60.877 61.300 0.143 0.000 1.193 624 I CB 1.548 39.590 38.000 0.070 0.000 1.345 624 I HN 0.337 nan 8.210 nan 0.000 0.461 625 I N 5.293 125.960 120.570 0.162 0.000 2.331 625 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 625 I C 0.742 176.951 176.117 0.153 0.000 0.998 625 I CA 0.030 61.435 61.300 0.175 0.000 1.267 625 I CB 1.235 39.308 38.000 0.121 0.000 1.386 625 I HN 0.607 nan 8.210 nan 0.000 0.476 626 D N 5.855 126.352 120.400 0.161 0.000 2.320 626 D HA 0.048 4.688 4.640 -0.000 0.000 0.228 626 D C 0.494 176.803 176.300 0.014 0.000 0.978 626 D CA 1.091 55.121 54.000 0.050 0.000 0.905 626 D CB 0.745 41.482 40.800 -0.106 0.000 1.051 626 D HN 0.690 nan 8.370 nan 0.000 0.471 627 R N -0.436 120.082 120.500 0.029 0.000 2.690 627 R HA 0.451 4.790 4.340 -0.000 0.000 0.269 627 R C -0.769 175.576 176.300 0.075 0.000 1.037 627 R CA -0.962 55.162 56.100 0.039 0.000 0.877 627 R CB 0.681 30.991 30.300 0.016 0.000 1.255 627 R HN 0.107 nan 8.270 nan 0.000 0.467 628 I N -1.679 118.941 120.570 0.083 0.000 2.676 628 I HA 0.601 4.771 4.170 -0.000 0.000 0.309 628 I C -0.787 175.397 176.117 0.111 0.000 0.990 628 I CA -0.854 60.508 61.300 0.103 0.000 1.168 628 I CB 1.941 39.999 38.000 0.095 0.000 1.343 628 I HN 0.618 nan 8.210 nan 0.000 0.482 629 E N 4.155 124.433 120.200 0.129 0.000 2.292 629 E HA 0.524 4.874 4.350 -0.000 0.000 0.272 629 E C -1.576 175.090 176.600 0.110 0.000 0.881 629 E CA -0.741 55.739 56.400 0.134 0.000 0.754 629 E CB 2.928 32.737 29.700 0.181 0.000 1.201 629 E HN 0.445 nan 8.360 nan 0.000 0.425 630 I N 3.161 123.788 120.570 0.094 0.000 2.354 630 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 630 I C -0.374 175.828 176.117 0.142 0.000 0.989 630 I CA -0.221 61.127 61.300 0.081 0.000 1.188 630 I CB 0.928 38.918 38.000 -0.016 0.000 1.342 630 I HN 0.400 nan 8.210 nan 0.000 0.457 631 I N 8.024 128.697 120.570 0.171 0.000 2.382 631 I HA 0.358 4.528 4.170 -0.000 0.000 0.285 631 I C -2.356 173.868 176.117 0.178 0.000 1.007 631 I CA -1.988 59.403 61.300 0.152 0.000 1.142 631 I CB 1.475 39.517 38.000 0.072 0.000 1.289 631 I HN 0.253 nan 8.210 nan 0.000 0.453 632 P HA 0.052 nan 4.420 nan 0.000 0.263 632 P C -0.506 176.718 177.300 -0.126 0.000 1.195 632 P CA 0.000 63.060 63.100 -0.067 0.000 0.762 632 P CB 0.310 32.000 31.700 -0.016 0.000 0.799 633 I N 4.086 124.518 120.570 -0.231 0.000 2.278 633 I HA 0.108 4.278 4.170 -0.000 0.000 0.296 633 I C 1.195 177.224 176.117 -0.145 0.000 1.121 633 I CA 0.291 61.503 61.300 -0.146 0.000 1.267 633 I CB -0.587 37.333 38.000 -0.133 0.000 1.447 633 I HN 0.341 nan 8.210 nan 0.000 0.509 634 T N 1.938 116.433 114.554 -0.098 0.000 2.922 634 T HA 0.277 4.627 4.350 -0.000 0.000 0.281 634 T C 0.896 175.559 174.700 -0.061 0.000 1.005 634 T CA -0.528 61.522 62.100 -0.084 0.000 0.982 634 T CB 1.832 70.662 68.868 -0.064 0.000 1.158 634 T HN 0.357 nan 8.240 nan 0.000 0.566 635 Q N 0.584 120.352 119.800 -0.052 0.000 2.096 635 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 635 Q C 2.453 178.432 176.000 -0.035 0.000 0.982 635 Q CA 2.353 58.132 55.803 -0.040 0.000 0.850 635 Q CB -0.991 27.727 28.738 -0.035 0.000 0.901 635 Q HN 0.776 nan 8.270 nan 0.000 0.422 636 S N -1.481 114.198 115.700 -0.034 0.000 2.356 636 S HA -0.114 4.356 4.470 -0.000 0.000 0.223 636 S C 1.836 176.416 174.600 -0.033 0.000 1.032 636 S CA 1.383 59.565 58.200 -0.030 0.000 1.005 636 S CB -0.395 62.790 63.200 -0.026 0.000 0.867 636 S HN 0.310 nan 8.310 nan 0.000 0.449 637 V N 2.121 122.014 119.914 -0.035 0.000 2.407 637 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 637 V C 2.410 178.484 176.094 -0.033 0.000 1.055 637 V CA 1.717 63.996 62.300 -0.035 0.000 1.049 637 V CB -0.795 31.006 31.823 -0.037 0.000 0.662 637 V HN 0.487 nan 8.190 nan 0.000 0.455 638 L N 0.566 121.769 121.223 -0.034 0.000 1.994 638 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 638 L C 2.182 179.037 176.870 -0.025 0.000 1.071 638 L CA 2.119 56.942 54.840 -0.028 0.000 0.745 638 L CB -0.977 41.064 42.059 -0.031 0.000 0.892 638 L HN 0.317 nan 8.230 nan 0.000 0.431 639 D N -0.775 119.610 120.400 -0.026 0.000 2.144 639 D HA -0.209 4.431 4.640 -0.000 0.000 0.199 639 D C 2.006 178.290 176.300 -0.027 0.000 0.984 639 D CA 1.285 55.271 54.000 -0.024 0.000 0.834 639 D CB 0.091 40.876 40.800 -0.024 0.000 0.955 639 D HN 0.431 nan 8.370 nan 0.000 0.465 640 E N 1.006 121.187 120.200 -0.031 0.000 2.047 640 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 640 E C 1.185 177.764 176.600 -0.035 0.000 0.987 640 E CA 1.337 57.714 56.400 -0.037 0.000 0.799 640 E CB -0.685 28.988 29.700 -0.044 0.000 0.752 640 E HN 0.346 nan 8.360 nan 0.000 0.449 641 T N 0.000 114.536 114.554 -0.029 0.000 3.816 641 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 641 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 641 T CB 0.000 68.858 68.868 -0.016 0.000 0.612 641 T HN 0.000 nan 8.240 nan 0.000 0.658