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 2gwd_1_A DATA FIRST_RESID 79 DATA SEQUENCE EPLTREDLIA YLASGCKSKE KWRIGTEHEK FGFEVNTLRP MKYDQIAELL DATA SEQUENCE NSIAERFEWE KVMEGDKIIG LKQGKQSISL EPGGQFELSG APLETLHQTc DATA SEQUENCE AEVNSHLYQV KAVAEEMGIG FLGMGFQPKW RREDIPTMPK GRYDIMRNYM DATA SEQUENCE PKVGSLGLDM MLRTCTVQVN LDFSSEADMI RKFRAGLALQ PIATALFANS DATA SEQUENCE PFTEGKPNGF LSMRSHIWTD TDKDRTGMLP FVFDDSFGFE QYVDYALDVP DATA SEQUENCE MYFAYRNGKY VDcTGMTFRQ FLAGKLPcLP GELPTYNDWE NHLTTIFPEV DATA SEQUENCE RLKRYMEMRG ADGGPWRRLc ALPAFWVGLL YDEDVLQSVL DLTADWTPAE DATA SEQUENCE REMLRNKVPV TGLKTPFRDG LLKHVAEDVL KLAKDGLERR GYKEVGFLNA DATA SEQUENCE VTEVVRTGVT PAENLLEMYN GEWGQSVDPV FQELLY 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 79 E HA 0.000 nan 4.350 nan 0.000 0.291 79 E C 0.000 176.555 176.600 -0.076 0.000 1.382 79 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 79 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 80 P HA 0.257 nan 4.420 nan 0.000 0.272 80 P C -0.169 177.037 177.300 -0.157 0.000 1.230 80 P CA -0.472 62.550 63.100 -0.130 0.000 0.788 80 P CB 0.639 32.267 31.700 -0.119 0.000 0.949 81 L N 1.112 122.198 121.223 -0.228 0.000 2.461 81 L HA 0.180 4.515 4.340 -0.008 0.000 0.272 81 L C 1.266 178.015 176.870 -0.201 0.000 1.197 81 L CA 0.220 54.902 54.840 -0.263 0.000 0.836 81 L CB 0.385 42.208 42.059 -0.393 0.000 1.105 81 L HN 0.690 nan 8.230 nan 0.000 0.477 82 T N -1.231 113.222 114.554 -0.169 0.000 2.926 82 T HA 0.299 4.644 4.350 -0.008 0.000 0.289 82 T C 0.813 175.414 174.700 -0.165 0.000 1.054 82 T CA -0.906 61.111 62.100 -0.138 0.000 1.015 82 T CB 1.838 70.654 68.868 -0.088 0.000 1.167 82 T HN 0.626 nan 8.240 nan 0.000 0.526 83 R N 0.387 120.803 120.500 -0.140 0.000 2.103 83 R HA -0.203 4.132 4.340 -0.008 0.000 0.242 83 R C 2.133 178.368 176.300 -0.108 0.000 1.142 83 R CA 2.304 58.316 56.100 -0.147 0.000 0.960 83 R CB -0.386 29.863 30.300 -0.085 0.000 0.858 83 R HN 0.914 nan 8.270 nan 0.000 0.439 84 E N -0.016 120.146 120.200 -0.064 0.000 2.110 84 E HA -0.201 4.144 4.350 -0.008 0.000 0.193 84 E C 1.135 177.728 176.600 -0.011 0.000 0.988 84 E CA 1.604 57.988 56.400 -0.026 0.000 0.804 84 E CB -0.004 29.687 29.700 -0.015 0.000 0.745 84 E HN 0.392 nan 8.360 nan 0.000 0.458 85 D N 0.740 121.127 120.400 -0.021 0.000 2.144 85 D HA -0.163 4.472 4.640 -0.008 0.000 0.199 85 D C 2.128 178.484 176.300 0.094 0.000 0.984 85 D CA 0.903 54.941 54.000 0.064 0.000 0.834 85 D CB -0.164 40.660 40.800 0.041 0.000 0.955 85 D HN 0.321 nan 8.370 nan 0.000 0.465 86 L N 0.399 121.539 121.223 -0.138 0.000 2.093 86 L HA -0.103 4.232 4.340 -0.008 0.000 0.208 86 L C 2.529 179.480 176.870 0.135 0.000 1.085 86 L CA 0.609 55.248 54.840 -0.336 0.000 0.755 86 L CB -0.346 41.089 42.059 -1.041 0.000 0.904 86 L HN 0.006 nan 8.230 nan 0.000 0.435 87 I N 0.303 120.920 120.570 0.078 0.000 2.142 87 I HA -0.263 3.902 4.170 -0.008 0.000 0.240 87 I C 2.853 178.976 176.117 0.010 0.000 1.078 87 I CA 1.240 62.606 61.300 0.109 0.000 1.343 87 I CB -0.481 37.563 38.000 0.074 0.000 1.046 87 I HN 0.173 nan 8.210 nan 0.000 0.405 88 A N -0.004 122.824 122.820 0.015 0.000 1.978 88 A HA -0.292 4.023 4.320 -0.008 0.000 0.220 88 A C 2.293 179.848 177.584 -0.048 0.000 1.170 88 A CA 1.615 53.628 52.037 -0.040 0.000 0.636 88 A CB -1.045 17.959 19.000 0.008 0.000 0.810 88 A HN 0.557 nan 8.150 nan 0.000 0.448 89 Y N 0.564 120.843 120.300 -0.034 0.000 2.145 89 Y HA -0.171 4.374 4.550 -0.008 0.000 0.286 89 Y C 1.967 177.841 175.900 -0.043 0.000 1.145 89 Y CA 1.897 59.978 58.100 -0.031 0.000 1.148 89 Y CB -0.263 38.332 38.460 0.225 0.000 0.981 89 Y HN 0.233 nan 8.280 nan 0.000 0.507 90 L N -0.352 120.902 121.223 0.052 0.000 2.017 90 L HA -0.224 4.112 4.340 -0.008 0.000 0.208 90 L C 2.782 179.335 176.870 -0.528 0.000 1.073 90 L CA 1.252 56.004 54.840 -0.147 0.000 0.745 90 L CB -1.181 40.900 42.059 0.037 0.000 0.894 90 L HN 0.313 nan 8.230 nan 0.000 0.432 91 A N 0.278 122.568 122.820 -0.885 0.000 2.024 91 A HA -0.212 4.104 4.320 -0.008 0.000 0.220 91 A C 2.464 179.866 177.584 -0.303 0.000 1.164 91 A CA 1.843 53.335 52.037 -0.908 0.000 0.643 91 A CB -0.652 17.955 19.000 -0.656 0.000 0.806 91 A HN 0.553 nan 8.150 nan 0.000 0.451 92 S N -0.614 114.923 115.700 -0.270 0.000 2.507 92 S HA 0.082 4.547 4.470 -0.008 0.000 0.235 92 S C 1.740 176.237 174.600 -0.173 0.000 0.988 92 S CA 1.012 59.090 58.200 -0.203 0.000 0.944 92 S CB -0.717 62.322 63.200 -0.268 0.000 0.762 92 S HN 0.631 nan 8.310 nan 0.000 0.526 93 G N 0.323 109.035 108.800 -0.147 0.000 2.598 93 G HA2 -0.002 3.953 3.960 -0.008 0.000 0.215 93 G HA3 -0.002 3.953 3.960 -0.008 0.000 0.215 93 G C 0.480 175.290 174.900 -0.150 0.000 1.131 93 G CA 0.110 45.116 45.100 -0.156 0.000 0.785 93 G HN 0.588 nan 8.290 nan 0.000 0.539 94 C N 1.301 120.654 119.300 0.089 0.000 2.633 94 C HA 0.415 4.870 4.460 -0.008 0.000 0.415 94 C C 0.582 175.619 174.990 0.079 0.000 1.393 94 C CA -0.209 58.923 59.018 0.190 0.000 1.700 94 C CB -0.770 27.136 27.740 0.278 0.000 2.541 94 C HN 0.327 nan 8.230 nan 0.000 0.603 95 K N 2.184 122.654 120.400 0.118 0.000 2.464 95 K HA 0.417 4.732 4.320 -0.008 0.000 0.253 95 K C -0.201 176.528 176.600 0.215 0.000 0.933 95 K CA -0.220 56.148 56.287 0.134 0.000 0.801 95 K CB 1.860 34.444 32.500 0.140 0.000 1.271 95 K HN 0.728 nan 8.250 nan 0.000 0.430 96 S N 1.122 116.845 115.700 0.038 0.000 2.563 96 S HA -0.015 4.450 4.470 -0.008 0.000 0.284 96 S C 1.160 175.481 174.600 -0.465 0.000 1.331 96 S CA -0.107 58.019 58.200 -0.122 0.000 1.047 96 S CB 1.111 64.235 63.200 -0.126 0.000 0.859 96 S HN 0.792 nan 8.310 nan 0.000 0.514 97 K N 1.410 121.297 120.400 -0.855 0.000 2.113 97 K HA -0.206 4.109 4.320 -0.008 0.000 0.208 97 K C 2.183 178.167 176.600 -1.027 0.000 1.047 97 K CA 1.871 57.092 56.287 -1.778 0.000 0.928 97 K CB -0.268 31.420 32.500 -1.354 0.000 0.716 97 K HN 0.893 nan 8.250 nan 0.000 0.446 98 E N 0.892 120.781 120.200 -0.519 0.000 2.268 98 E HA -0.204 4.141 4.350 -0.008 0.000 0.195 98 E C 0.857 177.357 176.600 -0.167 0.000 0.995 98 E CA 1.281 57.519 56.400 -0.270 0.000 0.836 98 E CB 0.009 29.606 29.700 -0.173 0.000 0.763 98 E HN 0.313 nan 8.360 nan 0.000 0.491 99 K N -0.064 120.237 120.400 -0.165 0.000 2.404 99 K HA 0.075 4.390 4.320 -0.008 0.000 0.194 99 K C -0.201 176.459 176.600 0.100 0.000 1.023 99 K CA -0.376 55.894 56.287 -0.028 0.000 1.094 99 K CB 0.139 32.632 32.500 -0.011 0.000 0.841 99 K HN 0.033 nan 8.250 nan 0.000 0.523 100 W N 2.415 123.633 121.300 -0.137 0.000 2.210 100 W HA 0.123 4.778 4.660 -0.009 0.000 0.330 100 W C 0.792 177.293 176.519 -0.030 0.000 1.334 100 W CA -0.466 56.780 57.345 -0.165 0.000 1.227 100 W CB 0.172 29.326 29.460 -0.510 0.000 1.178 100 W HN -0.068 nan 8.180 nan 0.000 0.560 101 R N 2.171 122.831 120.500 0.266 0.000 2.905 101 R HA 0.641 4.976 4.340 -0.008 0.000 0.260 101 R C -0.962 175.438 176.300 0.166 0.000 1.086 101 R CA -1.428 54.782 56.100 0.183 0.000 0.978 101 R CB 1.225 31.557 30.300 0.053 0.000 1.215 101 R HN 0.395 nan 8.270 nan 0.000 0.480 102 I N 0.366 120.966 120.570 0.049 0.000 2.410 102 I HA 0.380 4.545 4.170 -0.008 0.000 0.286 102 I C 0.344 176.397 176.117 -0.105 0.000 1.009 102 I CA -0.668 60.601 61.300 -0.052 0.000 1.111 102 I CB 2.142 40.111 38.000 -0.052 0.000 1.262 102 I HN 0.552 nan 8.210 nan 0.000 0.443 103 G N 3.867 112.565 108.800 -0.170 0.000 2.370 103 G HA2 0.598 4.553 3.960 -0.008 0.000 0.317 103 G HA3 0.598 4.553 3.960 -0.008 0.000 0.317 103 G C -0.575 174.230 174.900 -0.159 0.000 1.162 103 G CA -0.231 44.754 45.100 -0.191 0.000 0.922 103 G HN 0.443 nan 8.290 nan 0.000 0.454 104 T N 2.566 117.058 114.554 -0.104 0.000 2.792 104 T HA 0.466 4.811 4.350 -0.008 0.000 0.280 104 T C -0.400 174.283 174.700 -0.027 0.000 0.990 104 T CA -0.453 61.609 62.100 -0.062 0.000 0.960 104 T CB 1.766 70.609 68.868 -0.042 0.000 0.939 104 T HN 0.570 nan 8.240 nan 0.000 0.439 105 E N 3.013 123.204 120.200 -0.014 0.000 2.238 105 E HA 0.467 4.812 4.350 -0.008 0.000 0.267 105 E C -0.652 175.990 176.600 0.070 0.000 0.887 105 E CA -1.067 55.327 56.400 -0.011 0.000 0.769 105 E CB 1.745 31.420 29.700 -0.041 0.000 1.187 105 E HN 0.778 nan 8.360 nan 0.000 0.416 106 H N 0.428 119.464 119.070 -0.055 0.000 3.012 106 H HA 0.513 5.065 4.556 -0.008 0.000 0.367 106 H C -1.208 174.105 175.328 -0.025 0.000 1.211 106 H CA -0.958 55.080 56.048 -0.018 0.000 1.139 106 H CB 1.634 31.407 29.762 0.019 0.000 1.838 106 H HN 0.473 nan 8.280 nan 0.000 0.550 107 E N 1.360 121.551 120.200 -0.015 0.000 2.256 107 E HA 0.485 4.830 4.350 -0.008 0.000 0.267 107 E C -1.065 175.565 176.600 0.051 0.000 0.892 107 E CA -1.018 55.342 56.400 -0.068 0.000 0.775 107 E CB 2.895 32.549 29.700 -0.077 0.000 1.207 107 E HN 0.476 nan 8.360 nan 0.000 0.420 108 K N 1.584 122.036 120.400 0.087 0.000 2.464 108 K HA 0.414 4.729 4.320 -0.008 0.000 0.253 108 K C -1.278 175.491 176.600 0.282 0.000 0.933 108 K CA -0.785 55.670 56.287 0.280 0.000 0.801 108 K CB 1.533 34.314 32.500 0.469 0.000 1.271 108 K HN 0.256 nan 8.250 nan 0.000 0.430 109 F N 1.255 121.486 119.950 0.468 0.000 2.445 109 F HA 0.290 4.813 4.527 -0.008 0.000 0.359 109 F C 1.274 177.253 175.800 0.298 0.000 1.101 109 F CA -0.235 57.976 58.000 0.352 0.000 1.177 109 F CB 0.925 40.086 39.000 0.269 0.000 1.110 109 F HN 0.583 nan 8.300 nan 0.000 0.522 110 G N 3.561 112.469 108.800 0.179 0.000 2.395 110 G HA2 0.536 4.491 3.960 -0.008 0.000 0.283 110 G HA3 0.536 4.491 3.960 -0.008 0.000 0.283 110 G C -1.403 173.468 174.900 -0.048 0.000 1.178 110 G CA -0.395 44.383 45.100 -0.537 0.000 0.837 110 G HN 0.594 nan 8.290 nan 0.000 0.518 111 F N -0.979 118.817 119.950 -0.256 0.000 2.631 111 F HA 0.578 5.100 4.527 -0.008 0.000 0.308 111 F C -0.419 175.307 175.800 -0.123 0.000 1.097 111 F CA -1.483 56.468 58.000 -0.081 0.000 0.952 111 F CB 1.245 40.324 39.000 0.133 0.000 1.307 111 F HN 0.436 nan 8.300 nan 0.000 0.450 112 E N 1.965 122.166 120.200 0.003 0.000 2.324 112 E HA 0.169 4.514 4.350 -0.008 0.000 0.271 112 E C 0.581 177.218 176.600 0.061 0.000 1.028 112 E CA -0.350 56.011 56.400 -0.065 0.000 0.890 112 E CB 2.073 31.746 29.700 -0.045 0.000 1.004 112 E HN 0.651 nan 8.360 nan 0.000 0.431 113 V N 3.906 123.784 119.914 -0.060 0.000 2.392 113 V HA -0.290 3.825 4.120 -0.008 0.000 0.249 113 V C 1.522 177.667 176.094 0.085 0.000 1.059 113 V CA 1.723 64.061 62.300 0.064 0.000 1.051 113 V CB -0.359 31.450 31.823 -0.024 0.000 0.658 113 V HN 0.592 nan 8.190 nan 0.000 0.455 114 N N 0.184 118.898 118.700 0.023 0.000 2.251 114 N HA -0.083 4.652 4.740 -0.008 0.000 0.181 114 N C 1.987 177.496 175.510 -0.002 0.000 1.019 114 N CA 1.926 54.979 53.050 0.005 0.000 0.862 114 N CB -0.400 38.080 38.487 -0.011 0.000 0.992 114 N HN 0.680 nan 8.380 nan 0.000 0.429 115 T N -1.927 112.631 114.554 0.008 0.000 3.014 115 T HA 0.285 4.630 4.350 -0.008 0.000 0.250 115 T C 1.085 175.812 174.700 0.046 0.000 1.060 115 T CA -0.010 62.100 62.100 0.017 0.000 1.040 115 T CB 0.194 69.064 68.868 0.003 0.000 0.971 115 T HN 0.166 nan 8.240 nan 0.000 0.497 116 L N -1.292 119.948 121.223 0.027 0.000 5.081 116 L HA -0.178 4.157 4.340 -0.008 0.000 0.423 116 L C 0.360 177.348 176.870 0.197 0.000 1.019 116 L CA 0.213 55.002 54.840 -0.085 0.000 1.223 116 L CB -1.653 40.043 42.059 -0.605 0.000 1.940 116 L HN 0.311 nan 8.230 nan 0.000 0.675 117 R N 1.601 122.148 120.500 0.078 0.000 2.640 117 R HA 0.165 4.500 4.340 -0.008 0.000 0.270 117 R C -1.959 174.228 176.300 -0.189 0.000 1.024 117 R CA -1.137 54.779 56.100 -0.307 0.000 1.085 117 R CB -0.181 29.916 30.300 -0.340 0.000 0.963 117 R HN -0.011 nan 8.270 nan 0.000 0.426 118 P HA -0.002 nan 4.420 nan 0.000 0.271 118 P C 0.032 177.275 177.300 -0.095 0.000 1.216 118 P CA -0.050 62.977 63.100 -0.121 0.000 0.771 118 P CB 0.437 32.031 31.700 -0.177 0.000 0.864 119 M N 3.234 122.815 119.600 -0.032 0.000 2.252 119 M HA 0.069 4.544 4.480 -0.008 0.000 0.348 119 M C -0.151 176.134 176.300 -0.024 0.000 1.334 119 M CA 0.630 55.889 55.300 -0.069 0.000 1.071 119 M CB 0.185 32.706 32.600 -0.130 0.000 1.763 119 M HN 0.219 nan 8.290 nan 0.000 0.452 120 K N 2.923 123.302 120.400 -0.036 0.000 2.109 120 K HA 0.106 4.421 4.320 -0.008 0.000 0.243 120 K C 0.227 176.856 176.600 0.048 0.000 1.006 120 K CA -0.576 55.715 56.287 0.008 0.000 0.917 120 K CB 0.752 33.241 32.500 -0.018 0.000 1.081 120 K HN 0.670 nan 8.250 nan 0.000 0.468 121 Y N 2.273 122.582 120.300 0.014 0.000 2.224 121 Y HA -0.283 4.262 4.550 -0.008 0.000 0.289 121 Y C 1.848 177.765 175.900 0.029 0.000 1.146 121 Y CA 2.363 60.486 58.100 0.037 0.000 1.182 121 Y CB -0.180 38.303 38.460 0.038 0.000 0.983 121 Y HN 0.800 nan 8.280 nan 0.000 0.524 122 D N -0.317 119.972 120.400 -0.185 0.000 2.117 122 D HA -0.247 4.388 4.640 -0.008 0.000 0.197 122 D C 1.694 177.851 176.300 -0.237 0.000 0.987 122 D CA 1.889 55.746 54.000 -0.239 0.000 0.829 122 D CB -0.771 39.986 40.800 -0.072 0.000 0.961 122 D HN 0.554 nan 8.370 nan 0.000 0.460 123 Q N 0.126 119.827 119.800 -0.163 0.000 2.079 123 Q HA 0.007 4.342 4.340 -0.008 0.000 0.200 123 Q C 2.701 178.614 176.000 -0.146 0.000 0.974 123 Q CA 0.987 56.707 55.803 -0.138 0.000 0.840 123 Q CB -0.091 28.577 28.738 -0.117 0.000 0.898 123 Q HN 0.353 nan 8.270 nan 0.000 0.430 124 I N 0.778 121.263 120.570 -0.142 0.000 2.208 124 I HA -0.317 3.848 4.170 -0.008 0.000 0.245 124 I C 2.383 178.435 176.117 -0.108 0.000 1.097 124 I CA 1.077 62.346 61.300 -0.051 0.000 1.363 124 I CB -0.376 37.677 38.000 0.089 0.000 1.051 124 I HN 0.200 nan 8.210 nan 0.000 0.413 125 A N 0.063 122.662 122.820 -0.369 0.000 1.898 125 A HA -0.253 4.062 4.320 -0.008 0.000 0.216 125 A C 2.314 179.818 177.584 -0.133 0.000 1.181 125 A CA 1.810 53.667 52.037 -0.299 0.000 0.620 125 A CB -0.599 18.095 19.000 -0.510 0.000 0.819 125 A HN 0.500 nan 8.150 nan 0.000 0.442 126 E N -0.513 119.604 120.200 -0.139 0.000 2.031 126 E HA -0.221 4.124 4.350 -0.008 0.000 0.193 126 E C 1.928 178.494 176.600 -0.056 0.000 0.994 126 E CA 1.420 57.769 56.400 -0.085 0.000 0.800 126 E CB -0.238 29.410 29.700 -0.088 0.000 0.752 126 E HN 0.397 nan 8.360 nan 0.000 0.447 127 L N 1.176 122.363 121.223 -0.060 0.000 1.990 127 L HA -0.236 4.099 4.340 -0.008 0.000 0.213 127 L C 2.266 179.148 176.870 0.020 0.000 1.072 127 L CA 1.777 56.589 54.840 -0.047 0.000 0.755 127 L CB -0.756 41.237 42.059 -0.109 0.000 0.889 127 L HN 0.267 nan 8.230 nan 0.000 0.432 128 L N -0.652 120.620 121.223 0.082 0.000 2.012 128 L HA -0.278 4.057 4.340 -0.008 0.000 0.210 128 L C 2.251 179.143 176.870 0.036 0.000 1.073 128 L CA 2.098 56.990 54.840 0.088 0.000 0.748 128 L CB -0.816 41.302 42.059 0.097 0.000 0.891 128 L HN 0.426 nan 8.230 nan 0.000 0.431 129 N N -0.915 117.797 118.700 0.021 0.000 2.104 129 N HA -0.174 4.561 4.740 -0.008 0.000 0.190 129 N C 1.938 177.455 175.510 0.011 0.000 1.024 129 N CA 1.455 54.516 53.050 0.018 0.000 0.853 129 N CB -0.047 38.440 38.487 0.001 0.000 1.008 129 N HN 0.169 nan 8.380 nan 0.000 0.424 130 S N 0.539 116.235 115.700 -0.006 0.000 2.357 130 S HA 0.024 4.489 4.470 -0.008 0.000 0.221 130 S C 1.941 176.530 174.600 -0.018 0.000 1.031 130 S CA 0.619 58.802 58.200 -0.028 0.000 0.982 130 S CB -0.143 63.033 63.200 -0.040 0.000 0.853 130 S HN 0.235 nan 8.310 nan 0.000 0.458 131 I N 1.760 122.357 120.570 0.044 0.000 2.264 131 I HA -0.245 3.920 4.170 -0.008 0.000 0.248 131 I C 2.603 178.847 176.117 0.212 0.000 1.111 131 I CA 1.105 62.505 61.300 0.166 0.000 1.382 131 I CB -0.407 37.617 38.000 0.040 0.000 1.060 131 I HN 0.261 nan 8.210 nan 0.000 0.418 132 A N 0.077 122.979 122.820 0.138 0.000 1.898 132 A HA -0.250 4.065 4.320 -0.008 0.000 0.216 132 A C 2.349 180.038 177.584 0.175 0.000 1.181 132 A CA 1.859 54.034 52.037 0.230 0.000 0.620 132 A CB -0.556 18.538 19.000 0.156 0.000 0.819 132 A HN 0.483 nan 8.150 nan 0.000 0.442 133 E N -0.450 119.788 120.200 0.063 0.000 2.046 133 E HA -0.152 4.193 4.350 -0.008 0.000 0.190 133 E C 2.301 178.860 176.600 -0.068 0.000 0.982 133 E CA 0.781 57.183 56.400 0.004 0.000 0.800 133 E CB -0.062 29.622 29.700 -0.026 0.000 0.756 133 E HN 0.574 nan 8.360 nan 0.000 0.449 134 R N -0.898 119.474 120.500 -0.213 0.000 2.090 134 R HA -0.063 4.272 4.340 -0.008 0.000 0.228 134 R C 1.095 177.081 176.300 -0.523 0.000 1.110 134 R CA 1.105 56.879 56.100 -0.543 0.000 0.973 134 R CB 0.039 29.690 30.300 -1.080 0.000 0.869 134 R HN 0.187 nan 8.270 nan 0.000 0.440 135 F N 0.245 120.317 119.950 0.203 0.000 2.724 135 F HA 0.255 4.777 4.527 -0.008 0.000 0.310 135 F C -0.420 175.519 175.800 0.231 0.000 1.107 135 F CA -0.714 57.441 58.000 0.257 0.000 1.218 135 F CB 0.134 39.370 39.000 0.392 0.000 1.042 135 F HN -0.113 nan 8.300 nan 0.000 0.540 136 E N -0.359 120.015 120.200 0.291 0.000 2.260 136 E HA -0.228 4.117 4.350 -0.008 0.000 0.204 136 E C -1.320 175.336 176.600 0.094 0.000 1.319 136 E CA 0.145 56.635 56.400 0.150 0.000 0.679 136 E CB -1.248 28.483 29.700 0.051 0.000 1.158 136 E HN 0.370 nan 8.360 nan 0.000 0.376 137 W N 0.828 122.184 121.300 0.094 0.000 2.627 137 W HA 0.370 5.025 4.660 -0.008 0.000 0.339 137 W C 0.685 177.236 176.519 0.053 0.000 1.058 137 W CA -0.635 56.757 57.345 0.077 0.000 1.223 137 W CB 0.832 30.350 29.460 0.095 0.000 1.389 137 W HN 0.130 nan 8.180 nan 0.000 0.541 138 E N 2.628 122.988 120.200 0.266 0.000 2.313 138 E HA 0.163 4.508 4.350 -0.008 0.000 0.276 138 E C -0.488 176.223 176.600 0.185 0.000 1.031 138 E CA -0.399 56.103 56.400 0.171 0.000 0.857 138 E CB 0.658 30.423 29.700 0.108 0.000 1.040 138 E HN 0.290 nan 8.360 nan 0.000 0.408 139 K N 2.349 122.828 120.400 0.131 0.000 2.249 139 K HA 0.236 4.551 4.320 -0.008 0.000 0.280 139 K C -0.827 175.824 176.600 0.086 0.000 1.033 139 K CA -0.536 55.814 56.287 0.106 0.000 0.946 139 K CB 1.481 34.033 32.500 0.085 0.000 1.005 139 K HN 0.250 nan 8.250 nan 0.000 0.469 140 V N 4.962 124.921 119.914 0.075 0.000 2.398 140 V HA 0.308 4.423 4.120 -0.008 0.000 0.286 140 V C -0.151 175.977 176.094 0.057 0.000 1.026 140 V CA -0.715 61.620 62.300 0.058 0.000 0.868 140 V CB 1.245 33.094 31.823 0.044 0.000 0.982 140 V HN 0.688 nan 8.190 nan 0.000 0.443 141 M N 3.759 123.392 119.600 0.055 0.000 2.508 141 M HA 0.565 5.040 4.480 -0.008 0.000 0.327 141 M C -0.390 175.943 176.300 0.055 0.000 1.160 141 M CA -0.504 54.832 55.300 0.060 0.000 0.980 141 M CB 1.784 34.420 32.600 0.059 0.000 1.693 141 M HN 0.715 nan 8.290 nan 0.000 0.452 142 E N 0.795 121.025 120.200 0.050 0.000 2.267 142 E HA 0.518 4.864 4.350 -0.008 0.000 0.248 142 E C 0.390 177.011 176.600 0.035 0.000 0.899 142 E CA -0.010 56.418 56.400 0.048 0.000 0.764 142 E CB 0.896 30.610 29.700 0.024 0.000 1.227 142 E HN 0.885 nan 8.360 nan 0.000 0.421 143 G N 4.601 113.425 108.800 0.039 0.000 2.566 143 G HA2 -0.368 3.587 3.960 -0.008 0.000 0.280 143 G HA3 -0.368 3.587 3.960 -0.008 0.000 0.280 143 G C 0.523 175.446 174.900 0.038 0.000 1.225 143 G CA 0.339 45.456 45.100 0.029 0.000 0.966 143 G HN 0.762 nan 8.290 nan 0.000 0.560 144 D N 0.950 121.373 120.400 0.038 0.000 2.349 144 D HA 0.060 4.695 4.640 -0.008 0.000 0.224 144 D C 0.455 176.803 176.300 0.080 0.000 1.029 144 D CA 0.609 54.640 54.000 0.052 0.000 0.879 144 D CB 0.042 40.870 40.800 0.046 0.000 0.906 144 D HN 0.339 nan 8.370 nan 0.000 0.528 145 K N 1.292 121.739 120.400 0.079 0.000 2.248 145 K HA 0.295 4.610 4.320 -0.008 0.000 0.281 145 K C 0.088 176.781 176.600 0.155 0.000 1.054 145 K CA -0.843 55.527 56.287 0.139 0.000 0.903 145 K CB 2.074 34.586 32.500 0.020 0.000 1.077 145 K HN 0.199 nan 8.250 nan 0.000 0.474 146 I N 4.846 125.543 120.570 0.212 0.000 2.533 146 I HA -0.004 4.162 4.170 -0.008 0.000 0.284 146 I C 0.947 177.201 176.117 0.227 0.000 1.109 146 I CA 0.082 61.482 61.300 0.167 0.000 1.412 146 I CB 0.339 38.409 38.000 0.117 0.000 1.396 146 I HN 0.664 nan 8.210 nan 0.000 0.543 147 I N 4.811 125.464 120.570 0.138 0.000 4.338 147 I HA 0.647 4.812 4.170 -0.008 0.000 0.329 147 I C 0.387 176.531 176.117 0.045 0.000 1.378 147 I CA -0.153 61.220 61.300 0.121 0.000 1.170 147 I CB 0.449 38.477 38.000 0.046 0.000 1.206 147 I HN 0.567 nan 8.210 nan 0.000 0.432 148 G N 1.157 109.971 108.800 0.024 0.000 2.430 148 G HA2 0.651 4.606 3.960 -0.008 0.000 0.300 148 G HA3 0.651 4.606 3.960 -0.008 0.000 0.300 148 G C -2.063 172.833 174.900 -0.007 0.000 1.330 148 G CA -0.725 44.352 45.100 -0.038 0.000 0.813 148 G HN 0.074 nan 8.290 nan 0.000 0.487 149 L N -0.536 120.677 121.223 -0.018 0.000 2.424 149 L HA 0.672 5.007 4.340 -0.008 0.000 0.258 149 L C -0.580 176.468 176.870 0.297 0.000 0.995 149 L CA -0.913 53.998 54.840 0.117 0.000 0.821 149 L CB 2.865 44.911 42.059 -0.022 0.000 1.383 149 L HN 0.440 nan 8.230 nan 0.000 0.410 150 K N 1.790 122.444 120.400 0.423 0.000 2.427 150 K HA 0.547 4.862 4.320 -0.008 0.000 0.252 150 K C -1.429 175.300 176.600 0.216 0.000 0.931 150 K CA -0.703 55.781 56.287 0.328 0.000 0.793 150 K CB 2.685 35.271 32.500 0.143 0.000 1.211 150 K HN 0.472 nan 8.250 nan 0.000 0.426 151 Q N 1.895 121.633 119.800 -0.103 0.000 2.334 151 Q HA 0.272 4.607 4.340 -0.008 0.000 0.249 151 Q C 0.125 175.940 176.000 -0.309 0.000 0.909 151 Q CA 0.038 55.563 55.803 -0.463 0.000 0.823 151 Q CB 1.431 29.351 28.738 -1.362 0.000 1.353 151 Q HN 0.850 nan 8.270 nan 0.000 0.433 152 G N 3.874 112.565 108.800 -0.182 0.000 2.685 152 G HA2 -0.399 3.556 3.960 -0.008 0.000 0.329 152 G HA3 -0.399 3.556 3.960 -0.008 0.000 0.329 152 G C 0.334 175.188 174.900 -0.076 0.000 1.271 152 G CA 0.771 45.802 45.100 -0.115 0.000 1.003 152 G HN 0.664 nan 8.290 nan 0.000 0.549 153 K N 1.331 121.689 120.400 -0.070 0.000 2.417 153 K HA 0.155 4.470 4.320 -0.008 0.000 0.196 153 K C 1.053 177.637 176.600 -0.027 0.000 1.023 153 K CA 0.129 56.391 56.287 -0.042 0.000 1.122 153 K CB 0.318 32.792 32.500 -0.044 0.000 0.850 153 K HN 0.548 nan 8.250 nan 0.000 0.521 154 Q N 0.488 120.271 119.800 -0.027 0.000 2.227 154 Q HA 0.301 4.636 4.340 -0.008 0.000 0.245 154 Q C -0.607 175.500 176.000 0.177 0.000 0.926 154 Q CA -0.208 55.631 55.803 0.061 0.000 0.895 154 Q CB 1.905 30.708 28.738 0.109 0.000 1.230 154 Q HN -0.111 nan 8.270 nan 0.000 0.450 155 S N 1.146 116.950 115.700 0.174 0.000 2.540 155 S HA 0.557 5.022 4.470 -0.008 0.000 0.275 155 S C -0.868 173.727 174.600 -0.009 0.000 1.123 155 S CA -0.610 57.678 58.200 0.146 0.000 0.907 155 S CB 1.060 64.289 63.200 0.048 0.000 1.081 155 S HN 0.406 nan 8.310 nan 0.000 0.476 156 I N 2.733 123.229 120.570 -0.123 0.000 2.441 156 I HA 0.619 4.784 4.170 -0.008 0.000 0.295 156 I C 0.152 176.079 176.117 -0.316 0.000 0.994 156 I CA -0.118 60.953 61.300 -0.382 0.000 1.144 156 I CB 1.898 39.535 38.000 -0.605 0.000 1.314 156 I HN 0.762 nan 8.210 nan 0.000 0.445 157 S N 6.257 121.731 115.700 -0.376 0.000 2.705 157 S HA 0.753 5.219 4.470 -0.008 0.000 0.280 157 S C -1.269 173.189 174.600 -0.236 0.000 1.174 157 S CA -0.938 57.127 58.200 -0.226 0.000 0.823 157 S CB 1.721 64.859 63.200 -0.103 0.000 1.162 157 S HN 0.434 nan 8.310 nan 0.000 0.487 158 L N 1.489 122.684 121.223 -0.048 0.000 2.356 158 L HA 0.583 4.918 4.340 -0.008 0.000 0.277 158 L C -0.133 176.858 176.870 0.202 0.000 0.996 158 L CA -0.789 54.089 54.840 0.064 0.000 0.822 158 L CB 1.788 43.938 42.059 0.151 0.000 1.256 158 L HN 0.663 nan 8.230 nan 0.000 0.413 159 E N 3.132 123.400 120.200 0.114 0.000 2.369 159 E HA 0.155 4.500 4.350 -0.008 0.000 0.255 159 E C -1.679 174.861 176.600 -0.100 0.000 1.172 159 E CA -1.786 54.618 56.400 0.007 0.000 0.932 159 E CB 0.687 30.355 29.700 -0.053 0.000 1.040 159 E HN 0.295 nan 8.360 nan 0.000 0.454 160 P HA -0.100 nan 4.420 nan 0.000 0.218 160 P C 0.838 178.080 177.300 -0.097 0.000 1.148 160 P CA 1.418 64.206 63.100 -0.521 0.000 0.822 160 P CB 0.202 31.473 31.700 -0.715 0.000 0.784 161 G N -1.953 106.818 108.800 -0.048 0.000 3.448 161 G HA2 0.367 4.323 3.960 -0.008 0.000 0.261 161 G HA3 0.367 4.323 3.960 -0.008 0.000 0.261 161 G C 0.971 175.944 174.900 0.121 0.000 1.173 161 G CA 0.195 45.321 45.100 0.044 0.000 0.835 161 G HN 0.377 nan 8.290 nan 0.000 0.534 162 G N -0.486 108.400 108.800 0.143 0.000 2.176 162 G HA2 -0.278 3.677 3.960 -0.008 0.000 0.253 162 G HA3 -0.278 3.677 3.960 -0.008 0.000 0.253 162 G C 0.384 175.439 174.900 0.258 0.000 0.979 162 G CA 0.086 45.316 45.100 0.217 0.000 0.641 162 G HN 0.612 nan 8.290 nan 0.000 0.530 163 Q N -0.654 119.257 119.800 0.187 0.000 2.283 163 Q HA 0.466 4.801 4.340 -0.008 0.000 0.301 163 Q C -0.133 175.980 176.000 0.190 0.000 1.063 163 Q CA 0.252 56.144 55.803 0.148 0.000 0.952 163 Q CB 0.383 29.096 28.738 -0.042 0.000 1.166 163 Q HN 0.370 nan 8.270 nan 0.000 0.381 164 F N 2.184 122.194 119.950 0.099 0.000 2.334 164 F HA 0.220 4.743 4.527 -0.008 0.000 0.367 164 F C -0.032 175.720 175.800 -0.080 0.000 1.115 164 F CA -0.532 57.514 58.000 0.076 0.000 1.116 164 F CB 0.683 39.825 39.000 0.238 0.000 1.230 164 F HN 0.494 nan 8.300 nan 0.000 0.484 165 E N 5.747 125.721 120.200 -0.377 0.000 2.191 165 E HA 0.419 4.764 4.350 -0.008 0.000 0.278 165 E C -1.788 174.472 176.600 -0.567 0.000 0.972 165 E CA -1.047 55.110 56.400 -0.405 0.000 0.804 165 E CB 1.516 31.061 29.700 -0.259 0.000 1.110 165 E HN 0.645 nan 8.360 nan 0.000 0.394 166 L N 3.759 124.552 121.223 -0.717 0.000 2.296 166 L HA 0.395 4.730 4.340 -0.008 0.000 0.286 166 L C -0.872 175.791 176.870 -0.345 0.000 1.023 166 L CA -0.055 54.395 54.840 -0.650 0.000 0.812 166 L CB 1.751 43.262 42.059 -0.913 0.000 1.223 166 L HN 0.408 nan 8.230 nan 0.000 0.421 167 S N 3.744 119.319 115.700 -0.207 0.000 2.461 167 S HA 0.737 5.202 4.470 -0.008 0.000 0.322 167 S C 0.252 174.810 174.600 -0.069 0.000 1.063 167 S CA -0.252 57.882 58.200 -0.110 0.000 1.120 167 S CB 0.117 63.274 63.200 -0.072 0.000 0.968 167 S HN 0.979 nan 8.310 nan 0.000 0.467 168 G N 2.943 111.706 108.800 -0.061 0.000 2.621 168 G HA2 0.599 4.554 3.960 -0.008 0.000 0.271 168 G HA3 0.599 4.554 3.960 -0.008 0.000 0.271 168 G C 0.226 175.095 174.900 -0.051 0.000 1.236 168 G CA -0.293 44.785 45.100 -0.036 0.000 0.958 168 G HN 1.006 nan 8.290 nan 0.000 0.512 169 A N 0.104 122.898 122.820 -0.044 0.000 2.313 169 A HA 0.618 4.933 4.320 -0.008 0.000 0.261 169 A C -2.151 175.388 177.584 -0.074 0.000 1.090 169 A CA -1.023 50.980 52.037 -0.057 0.000 0.807 169 A CB 0.195 19.165 19.000 -0.050 0.000 1.055 169 A HN 0.449 nan 8.150 nan 0.000 0.492 170 P HA 0.391 nan 4.420 nan 0.000 0.280 170 P C -1.026 176.247 177.300 -0.045 0.000 1.300 170 P CA 0.398 63.453 63.100 -0.075 0.000 0.785 170 P CB 0.247 31.902 31.700 -0.074 0.000 0.874 171 L N 2.205 123.403 121.223 -0.040 0.000 2.322 171 L HA 0.391 4.726 4.340 -0.008 0.000 0.269 171 L C 1.827 178.689 176.870 -0.014 0.000 1.012 171 L CA -0.605 54.214 54.840 -0.035 0.000 0.815 171 L CB 1.999 44.029 42.059 -0.049 0.000 1.295 171 L HN 0.273 nan 8.230 nan 0.000 0.438 172 E N 0.127 120.306 120.200 -0.036 0.000 2.122 172 E HA -0.045 4.300 4.350 -0.008 0.000 0.190 172 E C 0.292 176.822 176.600 -0.117 0.000 0.977 172 E CA 0.792 57.166 56.400 -0.042 0.000 0.820 172 E CB 0.505 30.161 29.700 -0.073 0.000 0.770 172 E HN 0.738 nan 8.360 nan 0.000 0.462 173 T N -3.178 111.272 114.554 -0.174 0.000 2.916 173 T HA 0.327 4.672 4.350 -0.008 0.000 0.292 173 T C 0.804 175.413 174.700 -0.153 0.000 1.064 173 T CA -0.789 61.175 62.100 -0.227 0.000 1.011 173 T CB 1.263 69.924 68.868 -0.344 0.000 1.152 173 T HN 0.059 nan 8.240 nan 0.000 0.510 174 L N 0.566 121.664 121.223 -0.209 0.000 2.313 174 L HA 0.058 4.394 4.340 -0.008 0.000 0.214 174 L C 2.638 179.238 176.870 -0.450 0.000 1.119 174 L CA 0.523 55.132 54.840 -0.386 0.000 0.809 174 L CB -0.565 41.212 42.059 -0.470 0.000 0.933 174 L HN 0.743 nan 8.230 nan 0.000 0.449 175 H N 0.149 119.248 119.070 0.049 0.000 2.353 175 H HA -0.162 4.390 4.556 -0.008 0.000 0.300 175 H C 2.114 177.471 175.328 0.048 0.000 1.090 175 H CA 1.490 57.649 56.048 0.185 0.000 1.327 175 H CB -0.142 29.733 29.762 0.188 0.000 1.383 175 H HN 0.485 nan 8.280 nan 0.000 0.508 176 Q N -0.008 119.842 119.800 0.083 0.000 2.084 176 Q HA -0.095 4.240 4.340 -0.008 0.000 0.202 176 Q C 2.336 178.324 176.000 -0.021 0.000 0.978 176 Q CA 1.798 57.613 55.803 0.021 0.000 0.844 176 Q CB -0.074 28.654 28.738 -0.016 0.000 0.898 176 Q HN 0.354 nan 8.270 nan 0.000 0.426 177 T N 0.290 114.792 114.554 -0.087 0.000 2.635 177 T HA -0.249 4.097 4.350 -0.008 0.000 0.267 177 T C 1.947 176.602 174.700 -0.075 0.000 1.040 177 T CA 1.338 63.373 62.100 -0.109 0.000 1.156 177 T CB -0.610 68.142 68.868 -0.193 0.000 0.863 177 T HN 0.418 nan 8.240 nan 0.000 0.430 178 c N 1.275 119.814 118.600 -0.103 0.000 2.457 178 c HA 0.232 4.797 4.570 -0.008 0.000 0.278 178 c C 3.156 177.302 174.090 0.094 0.000 1.309 178 c CA 0.382 56.733 56.329 0.036 0.000 1.735 178 c CB -1.503 41.102 42.510 0.157 0.000 1.992 178 c HN 0.628 nan 8.230 nan 0.000 0.493 179 A N -0.102 122.770 122.820 0.086 0.000 1.908 179 A HA -0.271 4.044 4.320 -0.008 0.000 0.218 179 A C 2.157 179.761 177.584 0.033 0.000 1.181 179 A CA 2.127 54.196 52.037 0.053 0.000 0.627 179 A CB -0.839 18.194 19.000 0.054 0.000 0.818 179 A HN 0.787 nan 8.150 nan 0.000 0.445 180 E N -0.333 119.886 120.200 0.032 0.000 2.077 180 E HA -0.125 4.220 4.350 -0.008 0.000 0.193 180 E C 1.910 178.559 176.600 0.081 0.000 0.989 180 E CA 1.344 57.772 56.400 0.047 0.000 0.800 180 E CB -0.113 29.603 29.700 0.027 0.000 0.746 180 E HN 0.339 nan 8.360 nan 0.000 0.452 181 V N 2.255 122.208 119.914 0.064 0.000 2.295 181 V HA -0.292 3.823 4.120 -0.008 0.000 0.246 181 V C 2.498 178.631 176.094 0.065 0.000 1.049 181 V CA 2.045 64.388 62.300 0.073 0.000 1.024 181 V CB -0.802 31.043 31.823 0.036 0.000 0.648 181 V HN 0.455 nan 8.190 nan 0.000 0.447 182 N N -0.148 118.559 118.700 0.012 0.000 2.120 182 N HA -0.207 4.528 4.740 -0.008 0.000 0.188 182 N C 2.160 177.667 175.510 -0.005 0.000 1.024 182 N CA 1.883 54.897 53.050 -0.061 0.000 0.852 182 N CB -0.076 38.333 38.487 -0.130 0.000 1.003 182 N HN 0.435 nan 8.380 nan 0.000 0.424 183 S N -0.162 115.554 115.700 0.027 0.000 2.365 183 S HA -0.243 4.222 4.470 -0.008 0.000 0.225 183 S C 1.995 176.642 174.600 0.079 0.000 1.039 183 S CA 1.772 59.999 58.200 0.047 0.000 1.033 183 S CB -0.656 62.579 63.200 0.058 0.000 0.887 183 S HN 0.627 nan 8.310 nan 0.000 0.447 184 H N 0.935 120.016 119.070 0.019 0.000 2.326 184 H HA 0.105 4.656 4.556 -0.008 0.000 0.301 184 H C 1.965 177.242 175.328 -0.085 0.000 1.081 184 H CA 2.064 58.111 56.048 -0.002 0.000 1.334 184 H CB -0.533 29.260 29.762 0.053 0.000 1.385 184 H HN 0.381 nan 8.280 nan 0.000 0.504 185 L N -0.785 120.331 121.223 -0.179 0.000 2.046 185 L HA -0.198 4.137 4.340 -0.008 0.000 0.208 185 L C 2.296 179.027 176.870 -0.231 0.000 1.077 185 L CA 1.548 56.221 54.840 -0.277 0.000 0.747 185 L CB -0.693 41.285 42.059 -0.135 0.000 0.896 185 L HN 0.337 nan 8.230 nan 0.000 0.432 186 Y N 1.084 121.254 120.300 -0.216 0.000 2.097 186 Y HA -0.326 4.219 4.550 -0.008 0.000 0.282 186 Y C 2.720 178.472 175.900 -0.246 0.000 1.152 186 Y CA 1.822 59.806 58.100 -0.193 0.000 1.136 186 Y CB -0.320 38.034 38.460 -0.176 0.000 0.975 186 Y HN 0.170 nan 8.280 nan 0.000 0.498 187 Q N -0.814 118.705 119.800 -0.470 0.000 2.084 187 Q HA -0.162 4.173 4.340 -0.008 0.000 0.202 187 Q C 2.360 178.131 176.000 -0.382 0.000 0.978 187 Q CA 1.895 57.307 55.803 -0.653 0.000 0.844 187 Q CB -0.334 28.001 28.738 -0.671 0.000 0.898 187 Q HN 0.408 nan 8.270 nan 0.000 0.426 188 V N 1.332 120.966 119.914 -0.466 0.000 2.261 188 V HA -0.290 3.825 4.120 -0.008 0.000 0.246 188 V C 1.987 177.884 176.094 -0.329 0.000 1.047 188 V CA 1.998 64.011 62.300 -0.479 0.000 1.015 188 V CB -0.376 30.955 31.823 -0.820 0.000 0.642 188 V HN 0.297 nan 8.190 nan 0.000 0.446 189 K N 0.275 120.483 120.400 -0.319 0.000 2.148 189 K HA -0.026 4.289 4.320 -0.008 0.000 0.204 189 K C 2.225 178.700 176.600 -0.209 0.000 1.050 189 K CA 1.271 57.442 56.287 -0.193 0.000 0.942 189 K CB -0.437 31.982 32.500 -0.134 0.000 0.724 189 K HN 0.460 nan 8.250 nan 0.000 0.446 190 A N 0.757 123.363 122.820 -0.357 0.000 2.019 190 A HA -0.113 4.202 4.320 -0.008 0.000 0.219 190 A C 2.194 179.720 177.584 -0.097 0.000 1.164 190 A CA 1.405 53.276 52.037 -0.276 0.000 0.644 190 A CB -0.312 18.435 19.000 -0.421 0.000 0.805 190 A HN 0.083 nan 8.150 nan 0.000 0.449 191 V N -1.239 118.628 119.914 -0.078 0.000 2.581 191 V HA 0.033 4.148 4.120 -0.008 0.000 0.240 191 V C 2.896 178.948 176.094 -0.070 0.000 1.054 191 V CA 1.215 63.483 62.300 -0.052 0.000 1.076 191 V CB -0.882 30.923 31.823 -0.030 0.000 0.748 191 V HN 0.517 nan 8.190 nan 0.000 0.474 192 A N -0.243 122.530 122.820 -0.078 0.000 1.972 192 A HA -0.219 4.097 4.320 -0.008 0.000 0.219 192 A C 2.109 179.648 177.584 -0.075 0.000 1.169 192 A CA 1.766 53.764 52.037 -0.063 0.000 0.635 192 A CB -0.428 18.587 19.000 0.025 0.000 0.810 192 A HN 0.593 nan 8.150 nan 0.000 0.446 193 E N -0.050 120.112 120.200 -0.065 0.000 2.038 193 E HA -0.244 4.101 4.350 -0.008 0.000 0.195 193 E C 2.046 178.614 176.600 -0.053 0.000 1.000 193 E CA 1.533 57.900 56.400 -0.055 0.000 0.803 193 E CB -0.252 29.425 29.700 -0.039 0.000 0.750 193 E HN 0.941 nan 8.360 nan 0.000 0.448 194 E N 0.379 120.549 120.200 -0.049 0.000 2.347 194 E HA -0.144 4.201 4.350 -0.008 0.000 0.196 194 E C 1.815 178.382 176.600 -0.054 0.000 1.008 194 E CA 0.665 57.039 56.400 -0.044 0.000 0.852 194 E CB -0.209 29.469 29.700 -0.036 0.000 0.783 194 E HN 0.307 nan 8.360 nan 0.000 0.505 195 M N 0.443 120.002 119.600 -0.069 0.000 2.562 195 M HA 0.095 4.571 4.480 -0.008 0.000 0.257 195 M C 1.092 177.337 176.300 -0.093 0.000 1.099 195 M CA 0.970 56.221 55.300 -0.081 0.000 1.099 195 M CB 0.211 32.754 32.600 -0.095 0.000 1.427 195 M HN 0.354 nan 8.290 nan 0.000 0.489 196 G N 1.803 110.547 108.800 -0.093 0.000 2.198 196 G HA2 -0.204 3.751 3.960 -0.008 0.000 0.257 196 G HA3 -0.204 3.751 3.960 -0.008 0.000 0.257 196 G C -0.168 174.630 174.900 -0.169 0.000 1.042 196 G CA -0.274 44.764 45.100 -0.103 0.000 0.791 196 G HN 0.387 nan 8.290 nan 0.000 0.502 197 I N 0.504 120.947 120.570 -0.212 0.000 2.474 197 I HA 0.657 4.822 4.170 -0.008 0.000 0.294 197 I C 0.895 176.746 176.117 -0.443 0.000 1.005 197 I CA -0.082 61.001 61.300 -0.362 0.000 1.113 197 I CB 1.469 39.275 38.000 -0.325 0.000 1.289 197 I HN 0.186 nan 8.210 nan 0.000 0.436 198 G N 4.827 113.099 108.800 -0.879 0.000 2.568 198 G HA2 0.737 4.692 3.960 -0.008 0.000 0.313 198 G HA3 0.737 4.692 3.960 -0.008 0.000 0.313 198 G C -1.650 172.673 174.900 -0.962 0.000 1.227 198 G CA -0.344 44.235 45.100 -0.870 0.000 0.979 198 G HN 0.289 nan 8.290 nan 0.000 0.486 199 F N -0.604 119.333 119.950 -0.021 0.000 2.520 199 F HA 0.545 5.067 4.527 -0.008 0.000 0.322 199 F C -0.248 175.976 175.800 0.706 0.000 1.103 199 F CA -0.765 57.477 58.000 0.403 0.000 0.926 199 F CB 2.565 41.775 39.000 0.349 0.000 1.154 199 F HN 0.337 nan 8.300 nan 0.000 0.453 200 L N 2.606 124.334 121.223 0.843 0.000 2.313 200 L HA 0.779 5.115 4.340 -0.008 0.000 0.283 200 L C -0.121 177.018 176.870 0.448 0.000 1.013 200 L CA -0.209 54.909 54.840 0.464 0.000 0.816 200 L CB 1.567 43.748 42.059 0.203 0.000 1.236 200 L HN 0.642 nan 8.230 nan 0.000 0.419 201 G N 6.196 115.026 108.800 0.051 0.000 2.696 201 G HA2 0.549 4.504 3.960 -0.008 0.000 0.329 201 G HA3 0.549 4.504 3.960 -0.008 0.000 0.329 201 G C -0.536 174.462 174.900 0.163 0.000 0.973 201 G CA -0.357 44.825 45.100 0.136 0.000 1.257 201 G HN 0.558 nan 8.290 nan 0.000 0.456 202 M N 0.848 120.622 119.600 0.290 0.000 2.618 202 M HA 0.396 4.871 4.480 -0.008 0.000 0.281 202 M C 1.292 177.811 176.300 0.365 0.000 1.267 202 M CA -0.799 54.677 55.300 0.293 0.000 0.845 202 M CB 2.394 35.160 32.600 0.278 0.000 1.732 202 M HN 0.364 nan 8.290 nan 0.000 0.461 203 G N 0.460 109.453 108.800 0.321 0.000 2.464 203 G HA2 0.048 4.003 3.960 -0.008 0.000 0.217 203 G HA3 0.048 4.003 3.960 -0.008 0.000 0.217 203 G C -0.337 174.852 174.900 0.481 0.000 1.138 203 G CA 0.666 45.965 45.100 0.330 0.000 0.793 203 G HN 0.468 nan 8.290 nan 0.000 0.539 204 F N -0.271 119.874 119.950 0.326 0.000 2.596 204 F HA 0.507 5.029 4.527 -0.008 0.000 0.311 204 F C -0.636 175.209 175.800 0.075 0.000 1.116 204 F CA -1.563 56.591 58.000 0.257 0.000 0.957 204 F CB 1.811 40.876 39.000 0.109 0.000 1.250 204 F HN -0.050 nan 8.300 nan 0.000 0.444 205 Q N 7.992 127.273 119.800 -0.866 0.000 2.239 205 Q HA 0.193 4.528 4.340 -0.008 0.000 0.286 205 Q C -2.141 173.596 176.000 -0.438 0.000 1.102 205 Q CA -1.033 54.165 55.803 -1.008 0.000 0.936 205 Q CB 0.967 29.069 28.738 -1.061 0.000 1.127 205 Q HN 0.383 nan 8.270 nan 0.000 0.380 206 P HA -0.021 nan 4.420 nan 0.000 0.240 206 P C 0.108 177.382 177.300 -0.044 0.000 1.190 206 P CA 0.842 63.964 63.100 0.038 0.000 0.781 206 P CB 0.470 32.186 31.700 0.026 0.000 0.931 207 K N -1.496 118.794 120.400 -0.184 0.000 2.362 207 K HA 0.100 4.415 4.320 -0.008 0.000 0.203 207 K C -0.004 176.284 176.600 -0.519 0.000 1.198 207 K CA 0.099 56.103 56.287 -0.472 0.000 0.908 207 K CB 0.267 32.260 32.500 -0.844 0.000 1.236 207 K HN -0.044 nan 8.250 nan 0.000 0.487 208 W N 2.331 123.593 121.300 -0.063 0.000 2.516 208 W HA 0.433 5.088 4.660 -0.008 0.000 0.343 208 W C 0.021 176.503 176.519 -0.060 0.000 1.094 208 W CA -1.068 56.237 57.345 -0.067 0.000 1.250 208 W CB 0.904 30.311 29.460 -0.088 0.000 1.308 208 W HN -0.139 nan 8.180 nan 0.000 0.588 209 R N 1.184 121.838 120.500 0.256 0.000 2.707 209 R HA 0.159 4.494 4.340 -0.008 0.000 0.270 209 R C 1.756 178.118 176.300 0.103 0.000 1.083 209 R CA -0.654 55.534 56.100 0.147 0.000 1.182 209 R CB 0.499 30.876 30.300 0.129 0.000 1.084 209 R HN 0.557 nan 8.270 nan 0.000 0.528 210 R N 1.625 122.169 120.500 0.074 0.000 2.091 210 R HA -0.182 4.153 4.340 -0.008 0.000 0.238 210 R C 1.600 177.916 176.300 0.028 0.000 1.136 210 R CA 2.101 58.226 56.100 0.042 0.000 0.959 210 R CB -0.033 30.294 30.300 0.044 0.000 0.856 210 R HN 0.724 nan 8.270 nan 0.000 0.437 211 E N -0.094 120.126 120.200 0.035 0.000 2.418 211 E HA -0.157 4.188 4.350 -0.008 0.000 0.197 211 E C 0.493 177.094 176.600 0.003 0.000 1.026 211 E CA 0.877 57.288 56.400 0.018 0.000 0.862 211 E CB -0.060 29.653 29.700 0.022 0.000 0.799 211 E HN 0.385 nan 8.360 nan 0.000 0.518 212 D N 0.893 121.302 120.400 0.014 0.000 2.347 212 D HA 0.047 4.682 4.640 -0.008 0.000 0.215 212 D C 0.536 176.774 176.300 -0.102 0.000 0.976 212 D CA 0.280 54.251 54.000 -0.050 0.000 0.884 212 D CB 0.308 41.115 40.800 0.011 0.000 0.915 212 D HN 0.198 nan 8.370 nan 0.000 0.526 213 I N 2.520 123.063 120.570 -0.045 0.000 2.371 213 I HA 0.177 4.343 4.170 -0.008 0.000 0.290 213 I C -2.059 174.041 176.117 -0.027 0.000 1.028 213 I CA -2.437 58.839 61.300 -0.041 0.000 1.345 213 I CB 0.307 38.302 38.000 -0.009 0.000 1.407 213 I HN -0.356 nan 8.210 nan 0.000 0.501 214 P HA 0.055 nan 4.420 nan 0.000 0.266 214 P C -0.232 177.088 177.300 0.034 0.000 1.195 214 P CA 0.099 63.206 63.100 0.011 0.000 0.768 214 P CB 0.300 32.021 31.700 0.035 0.000 0.838 215 T N 0.728 115.301 114.554 0.031 0.000 2.795 215 T HA 0.544 4.889 4.350 -0.008 0.000 0.282 215 T C 0.275 175.003 174.700 0.046 0.000 0.980 215 T CA -0.989 61.132 62.100 0.034 0.000 1.012 215 T CB 0.383 69.262 68.868 0.019 0.000 0.936 215 T HN 0.059 nan 8.240 nan 0.000 0.457 216 M N 4.077 123.728 119.600 0.084 0.000 2.233 216 M HA 0.273 4.748 4.480 -0.008 0.000 0.350 216 M C -1.993 174.280 176.300 -0.044 0.000 1.176 216 M CA -3.038 52.296 55.300 0.057 0.000 1.150 216 M CB 0.310 33.023 32.600 0.188 0.000 1.530 216 M HN 0.495 nan 8.290 nan 0.000 0.459 217 P HA 0.210 nan 4.420 nan 0.000 0.230 217 P C -1.023 176.173 177.300 -0.174 0.000 1.791 217 P CA 0.070 63.030 63.100 -0.233 0.000 1.020 217 P CB -0.372 31.082 31.700 -0.409 0.000 1.977 218 K N 0.254 120.580 120.400 -0.122 0.000 2.426 218 K HA 0.422 4.737 4.320 -0.008 0.000 0.254 218 K C 1.462 177.945 176.600 -0.194 0.000 0.936 218 K CA -0.717 55.444 56.287 -0.211 0.000 0.801 218 K CB 1.826 34.066 32.500 -0.433 0.000 1.139 218 K HN 0.009 nan 8.250 nan 0.000 0.424 219 G N 2.599 111.304 108.800 -0.159 0.000 2.422 219 G HA2 -0.284 3.672 3.960 -0.008 0.000 0.218 219 G HA3 -0.284 3.672 3.960 -0.008 0.000 0.218 219 G C 1.412 176.203 174.900 -0.181 0.000 1.146 219 G CA 0.767 45.810 45.100 -0.094 0.000 0.769 219 G HN 0.705 nan 8.290 nan 0.000 0.547 220 R N -1.188 119.006 120.500 -0.510 0.000 2.092 220 R HA -0.035 4.300 4.340 -0.008 0.000 0.231 220 R C 2.083 178.299 176.300 -0.140 0.000 1.119 220 R CA 1.316 56.989 56.100 -0.711 0.000 0.970 220 R CB -0.669 28.590 30.300 -1.735 0.000 0.864 220 R HN 0.331 nan 8.270 nan 0.000 0.440 221 Y N 2.097 122.292 120.300 -0.175 0.000 2.242 221 Y HA -0.070 4.476 4.550 -0.008 0.000 0.291 221 Y C 1.910 177.775 175.900 -0.057 0.000 1.137 221 Y CA 0.438 58.489 58.100 -0.083 0.000 1.181 221 Y CB -0.612 37.808 38.460 -0.067 0.000 0.989 221 Y HN 0.107 nan 8.280 nan 0.000 0.527 222 D N 0.150 120.607 120.400 0.095 0.000 2.117 222 D HA -0.167 4.468 4.640 -0.008 0.000 0.197 222 D C 2.339 178.674 176.300 0.059 0.000 0.987 222 D CA 1.298 55.331 54.000 0.056 0.000 0.829 222 D CB -0.465 40.351 40.800 0.026 0.000 0.961 222 D HN 0.299 nan 8.370 nan 0.000 0.460 223 I N 0.392 121.001 120.570 0.065 0.000 2.163 223 I HA -0.276 3.889 4.170 -0.008 0.000 0.243 223 I C 2.523 178.673 176.117 0.056 0.000 1.085 223 I CA 0.985 62.339 61.300 0.091 0.000 1.347 223 I CB -0.183 37.919 38.000 0.171 0.000 1.044 223 I HN -0.034 nan 8.210 nan 0.000 0.408 224 M N -0.348 119.257 119.600 0.009 0.000 2.132 224 M HA -0.174 4.301 4.480 -0.008 0.000 0.263 224 M C 2.471 178.771 176.300 -0.001 0.000 1.065 224 M CA 1.704 56.935 55.300 -0.115 0.000 1.122 224 M CB -0.352 32.165 32.600 -0.138 0.000 1.365 224 M HN 0.070 nan 8.290 nan 0.000 0.411 225 R N 0.142 120.655 120.500 0.021 0.000 2.091 225 R HA -0.142 4.193 4.340 -0.008 0.000 0.238 225 R C 2.053 178.374 176.300 0.035 0.000 1.136 225 R CA 1.492 57.601 56.100 0.016 0.000 0.959 225 R CB -0.604 29.705 30.300 0.015 0.000 0.856 225 R HN 0.514 nan 8.270 nan 0.000 0.437 226 N N -0.224 118.512 118.700 0.060 0.000 2.244 226 N HA -0.201 4.534 4.740 -0.008 0.000 0.183 226 N C 1.549 177.124 175.510 0.107 0.000 1.016 226 N CA 0.998 54.092 53.050 0.073 0.000 0.866 226 N CB 0.062 38.598 38.487 0.083 0.000 0.980 226 N HN 0.221 nan 8.380 nan 0.000 0.430 227 Y N 0.986 121.285 120.300 -0.002 0.000 2.314 227 Y HA 0.036 4.582 4.550 -0.007 0.000 0.294 227 Y C 2.389 178.308 175.900 0.031 0.000 1.119 227 Y CA 0.831 58.944 58.100 0.022 0.000 1.179 227 Y CB -0.135 38.339 38.460 0.024 0.000 1.025 227 Y HN -0.017 nan 8.280 nan 0.000 0.541 228 M N 0.509 120.122 119.600 0.023 0.000 2.082 228 M HA -0.179 4.296 4.480 -0.008 0.000 0.258 228 M C -0.556 175.679 176.300 -0.109 0.000 1.069 228 M CA 1.854 57.132 55.300 -0.036 0.000 1.102 228 M CB -2.483 30.110 32.600 -0.010 0.000 1.336 228 M HN 0.113 nan 8.290 nan 0.000 0.404 229 P HA -0.140 nan 4.420 nan 0.000 0.221 229 P C 0.950 178.183 177.300 -0.113 0.000 1.145 229 P CA 1.279 64.333 63.100 -0.076 0.000 0.795 229 P CB -0.208 31.466 31.700 -0.044 0.000 0.775 230 K N -0.763 119.516 120.400 -0.202 0.000 2.365 230 K HA 0.033 4.349 4.320 -0.008 0.000 0.197 230 K C 1.329 177.788 176.600 -0.235 0.000 1.042 230 K CA 1.089 57.238 56.287 -0.230 0.000 0.987 230 K CB 0.044 32.349 32.500 -0.326 0.000 0.779 230 K HN 0.177 nan 8.250 nan 0.000 0.484 231 V N -4.538 115.230 119.914 -0.242 0.000 3.398 231 V HA 0.451 4.566 4.120 -0.008 0.000 0.298 231 V C 0.347 176.409 176.094 -0.053 0.000 1.496 231 V CA -0.092 62.122 62.300 -0.142 0.000 1.044 231 V CB 0.716 32.448 31.823 -0.152 0.000 0.880 231 V HN 0.135 nan 8.190 nan 0.000 0.443 232 G N 0.412 109.176 108.800 -0.059 0.000 2.349 232 G HA2 0.418 4.373 3.960 -0.008 0.000 0.294 232 G HA3 0.418 4.373 3.960 -0.008 0.000 0.294 232 G C 0.085 174.958 174.900 -0.044 0.000 1.380 232 G CA 0.339 45.417 45.100 -0.037 0.000 0.811 232 G HN 0.607 nan 8.290 nan 0.000 0.519 233 S N -1.233 114.443 115.700 -0.041 0.000 2.503 233 S HA 0.235 4.700 4.470 -0.008 0.000 0.215 233 S C 1.459 176.030 174.600 -0.048 0.000 1.003 233 S CA 0.293 58.471 58.200 -0.037 0.000 0.910 233 S CB -0.000 63.186 63.200 -0.022 0.000 0.790 233 S HN 0.401 nan 8.310 nan 0.000 0.514 234 L N 0.788 121.965 121.223 -0.076 0.000 2.858 234 L HA 0.427 4.762 4.340 -0.008 0.000 0.251 234 L C 2.207 178.993 176.870 -0.139 0.000 1.149 234 L CA 0.286 55.065 54.840 -0.101 0.000 0.955 234 L CB 0.017 41.987 42.059 -0.150 0.000 1.289 234 L HN 0.454 nan 8.230 nan 0.000 0.542 235 G N 0.596 109.320 108.800 -0.126 0.000 2.422 235 G HA2 -0.157 3.798 3.960 -0.008 0.000 0.218 235 G HA3 -0.157 3.798 3.960 -0.008 0.000 0.218 235 G C 1.477 176.283 174.900 -0.157 0.000 1.140 235 G CA 0.359 45.361 45.100 -0.164 0.000 0.775 235 G HN 0.212 nan 8.290 nan 0.000 0.545 236 L N 0.532 121.698 121.223 -0.095 0.000 2.131 236 L HA -0.054 4.281 4.340 -0.008 0.000 0.210 236 L C 2.275 179.103 176.870 -0.071 0.000 1.092 236 L CA 0.994 55.789 54.840 -0.075 0.000 0.759 236 L CB -0.249 41.786 42.059 -0.040 0.000 0.903 236 L HN 0.119 nan 8.230 nan 0.000 0.435 237 D N -0.493 119.876 120.400 -0.051 0.000 2.183 237 D HA -0.167 4.468 4.640 -0.008 0.000 0.203 237 D C 2.176 178.453 176.300 -0.037 0.000 0.969 237 D CA 0.793 54.809 54.000 0.026 0.000 0.842 237 D CB -0.026 40.858 40.800 0.140 0.000 0.957 237 D HN 0.206 nan 8.370 nan 0.000 0.484 238 M N 0.446 119.913 119.600 -0.221 0.000 2.065 238 M HA -0.167 4.308 4.480 -0.008 0.000 0.259 238 M C 2.063 178.191 176.300 -0.285 0.000 1.069 238 M CA 1.394 56.437 55.300 -0.428 0.000 1.110 238 M CB -0.423 31.660 32.600 -0.861 0.000 1.328 238 M HN -0.025 nan 8.290 nan 0.000 0.405 239 M N -0.287 119.161 119.600 -0.254 0.000 2.086 239 M HA -0.209 4.266 4.480 -0.008 0.000 0.261 239 M C 2.073 178.273 176.300 -0.166 0.000 1.067 239 M CA 1.516 56.673 55.300 -0.237 0.000 1.116 239 M CB -0.360 32.105 32.600 -0.225 0.000 1.348 239 M HN 0.297 nan 8.290 nan 0.000 0.407 240 L N -1.514 119.651 121.223 -0.097 0.000 2.354 240 L HA 0.011 4.346 4.340 -0.008 0.000 0.212 240 L C 1.820 178.707 176.870 0.027 0.000 1.091 240 L CA 0.536 55.353 54.840 -0.038 0.000 0.828 240 L CB -0.078 41.960 42.059 -0.034 0.000 0.973 240 L HN 0.211 nan 8.230 nan 0.000 0.461 241 R N -0.560 119.945 120.500 0.007 0.000 2.572 241 R HA 0.149 4.484 4.340 -0.008 0.000 0.370 241 R C 0.000 176.354 176.300 0.089 0.000 1.005 241 R CA 0.074 56.115 56.100 -0.097 0.000 1.146 241 R CB 1.040 31.049 30.300 -0.486 0.000 1.390 241 R HN 0.233 nan 8.270 nan 0.000 0.553 242 T N -2.464 112.223 114.554 0.220 0.000 2.912 242 T HA 0.577 4.923 4.350 -0.008 0.000 0.288 242 T C -0.265 174.493 174.700 0.097 0.000 1.030 242 T CA -0.641 61.630 62.100 0.284 0.000 1.020 242 T CB 2.248 71.240 68.868 0.206 0.000 1.056 242 T HN -0.028 nan 8.240 nan 0.000 0.480 243 C N 1.649 120.984 119.300 0.058 0.000 2.535 243 C HA 0.841 5.296 4.460 -0.008 0.000 0.319 243 C C 0.381 175.418 174.990 0.078 0.000 1.171 243 C CA -0.480 58.484 59.018 -0.089 0.000 1.394 243 C CB 1.465 28.993 27.740 -0.352 0.000 1.990 243 C HN 1.149 nan 8.230 nan 0.000 0.466 244 T N 1.200 115.802 114.554 0.080 0.000 2.940 244 T HA 0.715 5.060 4.350 -0.008 0.000 0.288 244 T C -1.181 173.575 174.700 0.092 0.000 1.033 244 T CA -0.342 61.818 62.100 0.100 0.000 1.033 244 T CB 1.510 70.432 68.868 0.091 0.000 1.079 244 T HN 0.684 nan 8.240 nan 0.000 0.496 245 V N 4.885 124.839 119.914 0.067 0.000 2.448 245 V HA 0.713 4.828 4.120 -0.008 0.000 0.295 245 V C -0.771 175.309 176.094 -0.024 0.000 1.025 245 V CA -0.387 61.944 62.300 0.052 0.000 0.859 245 V CB 1.292 33.145 31.823 0.049 0.000 0.988 245 V HN 1.048 nan 8.190 nan 0.000 0.431 246 Q N 4.834 124.623 119.800 -0.018 0.000 2.528 246 Q HA 0.854 5.189 4.340 -0.008 0.000 0.289 246 Q C -1.969 173.992 176.000 -0.065 0.000 1.091 246 Q CA -0.879 54.889 55.803 -0.057 0.000 0.797 246 Q CB 2.627 31.328 28.738 -0.063 0.000 1.466 246 Q HN 0.608 nan 8.270 nan 0.000 0.436 247 V N 1.380 121.230 119.914 -0.105 0.000 2.841 247 V HA 0.525 4.641 4.120 -0.008 0.000 0.310 247 V C -1.886 174.094 176.094 -0.191 0.000 1.090 247 V CA -0.662 61.562 62.300 -0.127 0.000 0.930 247 V CB 2.309 34.089 31.823 -0.072 0.000 1.014 247 V HN 0.887 nan 8.190 nan 0.000 0.425 248 N N 6.334 124.902 118.700 -0.220 0.000 2.392 248 N HA 0.725 5.461 4.740 -0.008 0.000 0.283 248 N C -1.147 174.199 175.510 -0.273 0.000 1.003 248 N CA -0.220 52.668 53.050 -0.270 0.000 0.892 248 N CB 1.934 40.087 38.487 -0.557 0.000 1.193 248 N HN 0.598 nan 8.380 nan 0.000 0.487 249 L N 0.448 121.547 121.223 -0.208 0.000 2.350 249 L HA 0.536 4.871 4.340 -0.008 0.000 0.260 249 L C -0.443 176.328 176.870 -0.165 0.000 1.015 249 L CA -1.020 53.705 54.840 -0.192 0.000 0.821 249 L CB 2.077 43.935 42.059 -0.335 0.000 1.370 249 L HN 0.257 nan 8.230 nan 0.000 0.416 250 D N 0.581 120.864 120.400 -0.195 0.000 2.268 250 D HA 0.588 5.223 4.640 -0.008 0.000 0.249 250 D C -0.986 174.856 176.300 -0.763 0.000 1.008 250 D CA 0.061 53.736 54.000 -0.542 0.000 0.939 250 D CB 2.100 42.651 40.800 -0.416 0.000 1.170 250 D HN 0.175 nan 8.370 nan 0.000 0.468 251 F N -1.657 118.101 119.950 -0.320 0.000 2.593 251 F HA 0.409 4.931 4.527 -0.009 0.000 0.320 251 F C 1.071 176.922 175.800 0.085 0.000 1.060 251 F CA -1.136 56.728 58.000 -0.226 0.000 0.940 251 F CB 0.991 39.931 39.000 -0.101 0.000 1.268 251 F HN 0.177 nan 8.300 nan 0.000 0.475 252 S N -0.651 115.341 115.700 0.486 0.000 2.503 252 S HA 0.440 4.905 4.470 -0.008 0.000 0.215 252 S C 0.214 175.029 174.600 0.357 0.000 1.003 252 S CA 0.520 59.002 58.200 0.470 0.000 0.910 252 S CB -0.735 62.754 63.200 0.483 0.000 0.790 252 S HN 1.202 nan 8.310 nan 0.000 0.514 253 S N -0.464 115.464 115.700 0.379 0.000 2.643 253 S HA 0.368 4.833 4.470 -0.008 0.000 0.266 253 S C 0.192 174.881 174.600 0.148 0.000 1.130 253 S CA -0.403 57.958 58.200 0.268 0.000 0.817 253 S CB 0.873 64.172 63.200 0.164 0.000 1.107 253 S HN 0.076 nan 8.310 nan 0.000 0.471 254 E N 0.554 120.801 120.200 0.079 0.000 2.077 254 E HA -0.085 4.260 4.350 -0.008 0.000 0.193 254 E C 2.124 178.548 176.600 -0.293 0.000 0.989 254 E CA 1.439 57.651 56.400 -0.314 0.000 0.800 254 E CB -0.517 29.050 29.700 -0.222 0.000 0.746 254 E HN 0.726 nan 8.360 nan 0.000 0.452 255 A N 1.249 124.002 122.820 -0.111 0.000 1.865 255 A HA -0.276 4.039 4.320 -0.008 0.000 0.217 255 A C 1.986 179.535 177.584 -0.058 0.000 1.191 255 A CA 2.114 54.105 52.037 -0.076 0.000 0.623 255 A CB -0.909 18.082 19.000 -0.015 0.000 0.826 255 A HN 0.414 nan 8.150 nan 0.000 0.444 256 D N -1.110 119.292 120.400 0.003 0.000 2.123 256 D HA -0.196 4.439 4.640 -0.008 0.000 0.196 256 D C 1.876 178.158 176.300 -0.031 0.000 0.992 256 D CA 1.673 55.701 54.000 0.047 0.000 0.833 256 D CB -0.207 40.696 40.800 0.172 0.000 0.954 256 D HN 0.309 nan 8.370 nan 0.000 0.455 257 M N 0.154 119.645 119.600 -0.181 0.000 2.117 257 M HA -0.129 4.346 4.480 -0.008 0.000 0.262 257 M C 2.023 178.204 176.300 -0.199 0.000 1.065 257 M CA 1.253 56.309 55.300 -0.407 0.000 1.114 257 M CB -0.590 31.355 32.600 -1.091 0.000 1.361 257 M HN 0.144 nan 8.290 nan 0.000 0.408 258 I N -0.025 120.438 120.570 -0.178 0.000 2.226 258 I HA -0.338 3.827 4.170 -0.008 0.000 0.245 258 I C 2.486 178.585 176.117 -0.029 0.000 1.100 258 I CA 1.297 62.591 61.300 -0.010 0.000 1.374 258 I CB -0.400 37.566 38.000 -0.058 0.000 1.057 258 I HN 0.327 nan 8.210 nan 0.000 0.413 259 R N 0.768 121.242 120.500 -0.044 0.000 2.066 259 R HA -0.136 4.200 4.340 -0.008 0.000 0.232 259 R C 2.305 178.588 176.300 -0.028 0.000 1.131 259 R CA 1.284 57.365 56.100 -0.032 0.000 0.955 259 R CB -0.224 30.073 30.300 -0.005 0.000 0.851 259 R HN 0.305 nan 8.270 nan 0.000 0.432 260 K N -0.191 120.194 120.400 -0.025 0.000 2.097 260 K HA -0.114 4.201 4.320 -0.008 0.000 0.205 260 K C 1.856 178.420 176.600 -0.060 0.000 1.050 260 K CA 1.191 57.453 56.287 -0.041 0.000 0.938 260 K CB -0.148 32.316 32.500 -0.059 0.000 0.718 260 K HN 0.135 nan 8.250 nan 0.000 0.442 261 F N 1.579 121.398 119.950 -0.219 0.000 2.134 261 F HA -0.205 4.317 4.527 -0.009 0.000 0.299 261 F C 2.351 177.915 175.800 -0.392 0.000 1.097 261 F CA 1.104 58.919 58.000 -0.310 0.000 1.264 261 F CB 0.201 38.999 39.000 -0.336 0.000 1.001 261 F HN -0.048 nan 8.300 nan 0.000 0.479 262 R N -0.137 120.234 120.500 -0.216 0.000 2.090 262 R HA -0.080 4.255 4.340 -0.008 0.000 0.228 262 R C 2.351 178.634 176.300 -0.029 0.000 1.110 262 R CA 0.991 56.821 56.100 -0.450 0.000 0.973 262 R CB -0.620 29.368 30.300 -0.520 0.000 0.869 262 R HN 0.281 nan 8.270 nan 0.000 0.440 263 A N 0.880 123.701 122.820 0.001 0.000 1.877 263 A HA -0.071 4.245 4.320 -0.008 0.000 0.216 263 A C 2.389 180.061 177.584 0.147 0.000 1.186 263 A CA 1.733 53.812 52.037 0.071 0.000 0.620 263 A CB -1.146 17.888 19.000 0.058 0.000 0.822 263 A HN 0.448 nan 8.150 nan 0.000 0.443 264 G N -0.424 108.404 108.800 0.047 0.000 2.422 264 G HA2 -0.119 3.836 3.960 -0.008 0.000 0.218 264 G HA3 -0.119 3.836 3.960 -0.008 0.000 0.218 264 G C 1.577 176.496 174.900 0.031 0.000 1.146 264 G CA 1.002 46.045 45.100 -0.095 0.000 0.769 264 G HN 0.414 nan 8.290 nan 0.000 0.547 265 L N 0.451 121.740 121.223 0.110 0.000 2.044 265 L HA 0.035 4.370 4.340 -0.008 0.000 0.205 265 L C 3.397 180.439 176.870 0.287 0.000 1.075 265 L CA 0.953 55.908 54.840 0.191 0.000 0.747 265 L CB -0.347 41.842 42.059 0.216 0.000 0.903 265 L HN 0.297 nan 8.230 nan 0.000 0.435 266 A N -0.206 122.833 122.820 0.364 0.000 1.933 266 A HA -0.130 4.185 4.320 -0.008 0.000 0.218 266 A C 2.104 179.911 177.584 0.373 0.000 1.175 266 A CA 1.325 53.572 52.037 0.351 0.000 0.628 266 A CB -0.525 18.608 19.000 0.223 0.000 0.814 266 A HN 0.397 nan 8.150 nan 0.000 0.444 267 L N -1.153 120.283 121.223 0.354 0.000 2.558 267 L HA -0.021 4.314 4.340 -0.008 0.000 0.225 267 L C 2.454 179.634 176.870 0.517 0.000 1.128 267 L CA 0.448 55.540 54.840 0.421 0.000 0.868 267 L CB -0.252 42.052 42.059 0.408 0.000 1.006 267 L HN 0.393 nan 8.230 nan 0.000 0.454 268 Q N 1.246 121.320 119.800 0.457 0.000 2.061 268 Q HA -0.159 4.176 4.340 -0.008 0.000 0.204 268 Q C -0.666 175.502 176.000 0.280 0.000 0.984 268 Q CA 2.113 58.157 55.803 0.402 0.000 0.846 268 Q CB -0.996 27.859 28.738 0.195 0.000 0.902 268 Q HN 0.245 nan 8.270 nan 0.000 0.421 269 P HA -0.129 nan 4.420 nan 0.000 0.220 269 P C 0.711 178.070 177.300 0.099 0.000 1.148 269 P CA 0.939 64.111 63.100 0.120 0.000 0.803 269 P CB -0.024 31.714 31.700 0.063 0.000 0.782 270 I N -0.407 120.245 120.570 0.137 0.000 2.202 270 I HA -0.174 3.992 4.170 -0.008 0.000 0.242 270 I C 2.207 178.339 176.117 0.025 0.000 1.091 270 I CA 1.599 62.955 61.300 0.094 0.000 1.368 270 I CB -1.684 36.421 38.000 0.175 0.000 1.058 270 I HN -0.060 nan 8.210 nan 0.000 0.410 271 A N 0.689 123.548 122.820 0.065 0.000 1.902 271 A HA -0.202 4.113 4.320 -0.008 0.000 0.217 271 A C 2.430 180.091 177.584 0.129 0.000 1.181 271 A CA 2.467 54.477 52.037 -0.045 0.000 0.623 271 A CB -1.116 17.989 19.000 0.176 0.000 0.818 271 A HN 0.402 nan 8.150 nan 0.000 0.443 272 T N 0.312 114.948 114.554 0.137 0.000 2.720 272 T HA -0.068 4.277 4.350 -0.008 0.000 0.268 272 T C 2.205 176.964 174.700 0.098 0.000 1.037 272 T CA 1.718 63.896 62.100 0.130 0.000 1.144 272 T CB -0.466 68.472 68.868 0.117 0.000 0.864 272 T HN 0.616 nan 8.240 nan 0.000 0.444 273 A N 1.268 124.116 122.820 0.047 0.000 1.902 273 A HA 0.033 4.348 4.320 -0.008 0.000 0.217 273 A C 2.311 179.861 177.584 -0.057 0.000 1.181 273 A CA 1.112 53.146 52.037 -0.005 0.000 0.623 273 A CB -0.776 18.207 19.000 -0.028 0.000 0.818 273 A HN 0.467 nan 8.150 nan 0.000 0.443 274 L N -2.306 118.855 121.223 -0.103 0.000 2.141 274 L HA -0.089 4.246 4.340 -0.008 0.000 0.209 274 L C 1.715 178.321 176.870 -0.439 0.000 1.094 274 L CA 1.207 55.867 54.840 -0.301 0.000 0.763 274 L CB -0.429 41.344 42.059 -0.478 0.000 0.908 274 L HN 0.419 nan 8.230 nan 0.000 0.437 275 F N -0.012 119.858 119.950 -0.133 0.000 2.664 275 F HA 0.301 4.824 4.527 -0.008 0.000 0.303 275 F C 1.438 177.221 175.800 -0.028 0.000 1.092 275 F CA -0.582 57.371 58.000 -0.079 0.000 1.305 275 F CB -0.099 38.860 39.000 -0.068 0.000 1.054 275 F HN -0.141 nan 8.300 nan 0.000 0.565 276 A N 1.587 124.453 122.820 0.076 0.000 2.561 276 A HA 0.009 4.324 4.320 -0.008 0.000 0.251 276 A C 0.770 178.372 177.584 0.031 0.000 1.062 276 A CA 0.619 52.691 52.037 0.058 0.000 0.761 276 A CB -0.401 18.608 19.000 0.016 0.000 0.986 276 A HN 0.608 nan 8.150 nan 0.000 0.510 277 N N 0.959 119.694 118.700 0.059 0.000 2.550 277 N HA 0.081 4.816 4.740 -0.008 0.000 0.277 277 N C -0.657 174.898 175.510 0.075 0.000 1.595 277 N CA 0.573 53.656 53.050 0.055 0.000 0.888 277 N CB 0.298 38.847 38.487 0.104 0.000 1.424 277 N HN 0.633 nan 8.380 nan 0.000 0.501 278 S N -0.366 115.349 115.700 0.025 0.000 2.606 278 S HA 0.308 4.773 4.470 -0.008 0.000 0.156 278 S C -2.531 172.016 174.600 -0.088 0.000 1.308 278 S CA -0.601 57.633 58.200 0.056 0.000 1.228 278 S CB 1.246 64.555 63.200 0.182 0.000 1.568 278 S HN 0.138 nan 8.310 nan 0.000 0.397 279 P HA 0.321 nan 4.420 nan 0.000 0.261 279 P C -0.595 176.406 177.300 -0.499 0.000 1.268 279 P CA 0.016 62.838 63.100 -0.464 0.000 0.833 279 P CB -0.217 31.067 31.700 -0.694 0.000 1.231 280 F N -0.160 119.798 119.950 0.013 0.000 2.469 280 F HA 0.511 5.033 4.527 -0.008 0.000 0.332 280 F C 0.706 176.574 175.800 0.113 0.000 1.103 280 F CA -0.670 57.327 58.000 -0.004 0.000 0.979 280 F CB 1.428 40.420 39.000 -0.014 0.000 1.137 280 F HN -0.421 nan 8.300 nan 0.000 0.463 281 T N 1.723 116.437 114.554 0.266 0.000 2.879 281 T HA 0.330 4.675 4.350 -0.008 0.000 0.290 281 T C -0.507 174.294 174.700 0.168 0.000 0.993 281 T CA -0.918 61.353 62.100 0.286 0.000 0.975 281 T CB 1.146 70.115 68.868 0.168 0.000 0.981 281 T HN 0.648 nan 8.240 nan 0.000 0.439 282 E N 1.666 121.941 120.200 0.125 0.000 2.269 282 E HA -0.247 4.098 4.350 -0.008 0.000 0.223 282 E C 1.076 177.658 176.600 -0.030 0.000 1.244 282 E CA 0.817 57.225 56.400 0.015 0.000 0.713 282 E CB -1.519 28.210 29.700 0.048 0.000 1.178 282 E HN 1.229 nan 8.360 nan 0.000 0.370 283 G N -0.586 108.184 108.800 -0.051 0.000 2.176 283 G HA2 -0.360 3.595 3.960 -0.008 0.000 0.253 283 G HA3 -0.360 3.595 3.960 -0.008 0.000 0.253 283 G C 0.187 175.110 174.900 0.038 0.000 0.979 283 G CA 0.776 45.838 45.100 -0.063 0.000 0.641 283 G HN 0.313 nan 8.290 nan 0.000 0.530 284 K N 0.052 120.484 120.400 0.053 0.000 2.444 284 K HA 0.577 4.892 4.320 -0.008 0.000 0.252 284 K C -2.912 173.721 176.600 0.055 0.000 0.993 284 K CA -2.384 53.936 56.287 0.056 0.000 0.847 284 K CB 2.473 35.025 32.500 0.087 0.000 1.340 284 K HN -0.098 nan 8.250 nan 0.000 0.446 285 P HA 0.019 nan 4.420 nan 0.000 0.268 285 P C -0.594 176.708 177.300 0.003 0.000 1.205 285 P CA -0.021 63.061 63.100 -0.030 0.000 0.771 285 P CB 0.389 32.028 31.700 -0.103 0.000 0.858 286 N N 1.668 120.367 118.700 -0.001 0.000 2.236 286 N HA 0.143 4.878 4.740 -0.008 0.000 0.196 286 N C 1.104 176.669 175.510 0.091 0.000 1.114 286 N CA 0.265 53.339 53.050 0.041 0.000 0.859 286 N CB -0.314 38.178 38.487 0.009 0.000 0.982 286 N HN 0.575 nan 8.380 nan 0.000 0.493 287 G N -1.345 107.444 108.800 -0.018 0.000 2.175 287 G HA2 -0.235 3.720 3.960 -0.008 0.000 0.244 287 G HA3 -0.235 3.720 3.960 -0.008 0.000 0.244 287 G C -0.359 174.312 174.900 -0.382 0.000 0.982 287 G CA 0.046 45.043 45.100 -0.173 0.000 0.641 287 G HN 0.316 nan 8.290 nan 0.000 0.527 288 F N -1.203 118.632 119.950 -0.192 0.000 2.598 288 F HA 0.714 5.237 4.527 -0.008 0.000 0.327 288 F C 1.398 177.088 175.800 -0.182 0.000 1.057 288 F CA -1.031 56.855 58.000 -0.189 0.000 0.957 288 F CB 1.368 40.240 39.000 -0.213 0.000 1.278 288 F HN -0.118 nan 8.300 nan 0.000 0.484 289 L N -0.375 120.877 121.223 0.048 0.000 2.286 289 L HA 0.196 4.531 4.340 -0.008 0.000 0.203 289 L C 0.709 177.591 176.870 0.020 0.000 1.068 289 L CA 0.606 55.433 54.840 -0.021 0.000 0.811 289 L CB 0.016 42.052 42.059 -0.039 0.000 0.989 289 L HN 0.451 nan 8.230 nan 0.000 0.467 290 S N -0.059 115.698 115.700 0.096 0.000 2.426 290 S HA 0.197 4.662 4.470 -0.008 0.000 0.236 290 S C 0.700 175.324 174.600 0.041 0.000 1.368 290 S CA -0.478 57.775 58.200 0.087 0.000 1.154 290 S CB 0.611 63.879 63.200 0.113 0.000 1.037 290 S HN 0.143 nan 8.310 nan 0.000 0.481 291 M N 4.483 124.026 119.600 -0.094 0.000 2.149 291 M HA -0.038 4.437 4.480 -0.008 0.000 0.261 291 M C 1.966 178.116 176.300 -0.251 0.000 1.064 291 M CA 1.751 56.820 55.300 -0.386 0.000 1.102 291 M CB -0.600 31.639 32.600 -0.602 0.000 1.369 291 M HN 0.711 nan 8.290 nan 0.000 0.408 292 R N -1.074 119.407 120.500 -0.032 0.000 2.094 292 R HA -0.189 4.147 4.340 -0.008 0.000 0.239 292 R C 2.347 178.756 176.300 0.181 0.000 1.137 292 R CA 2.207 58.384 56.100 0.128 0.000 0.943 292 R CB -0.841 29.612 30.300 0.256 0.000 0.850 292 R HN 0.517 nan 8.270 nan 0.000 0.433 293 S N -0.476 115.343 115.700 0.198 0.000 2.368 293 S HA -0.215 4.250 4.470 -0.008 0.000 0.225 293 S C 1.900 176.615 174.600 0.191 0.000 1.030 293 S CA 1.625 59.975 58.200 0.249 0.000 0.999 293 S CB -0.453 62.859 63.200 0.186 0.000 0.844 293 S HN 0.659 nan 8.310 nan 0.000 0.459 294 H N 1.024 120.065 119.070 -0.049 0.000 2.319 294 H HA 0.013 4.564 4.556 -0.008 0.000 0.299 294 H C 1.880 177.119 175.328 -0.149 0.000 1.092 294 H CA 2.240 58.179 56.048 -0.181 0.000 1.302 294 H CB -0.580 28.762 29.762 -0.699 0.000 1.373 294 H HN 0.450 nan 8.280 nan 0.000 0.497 295 I N -0.771 119.659 120.570 -0.233 0.000 2.248 295 I HA -0.321 3.844 4.170 -0.008 0.000 0.248 295 I C 1.599 177.569 176.117 -0.245 0.000 1.107 295 I CA 1.374 62.497 61.300 -0.295 0.000 1.373 295 I CB -0.329 37.506 38.000 -0.275 0.000 1.055 295 I HN 0.410 nan 8.210 nan 0.000 0.418 296 W N 0.372 121.616 121.300 -0.094 0.000 2.721 296 W HA -0.121 4.534 4.660 -0.008 0.000 0.245 296 W C 2.474 178.968 176.519 -0.042 0.000 1.276 296 W CA 1.062 58.383 57.345 -0.040 0.000 1.342 296 W CB -0.264 29.198 29.460 0.003 0.000 1.135 296 W HN 0.231 nan 8.180 nan 0.000 0.654 297 T N -4.085 110.507 114.554 0.063 0.000 3.107 297 T HA 0.005 4.350 4.350 -0.008 0.000 0.249 297 T C 0.528 175.195 174.700 -0.055 0.000 1.096 297 T CA 0.595 62.700 62.100 0.008 0.000 1.012 297 T CB 0.084 68.923 68.868 -0.047 0.000 0.977 297 T HN -0.077 nan 8.240 nan 0.000 0.527 298 D N -0.132 120.205 120.400 -0.105 0.000 2.908 298 D HA 0.295 4.930 4.640 -0.008 0.000 0.361 298 D C 1.018 177.280 176.300 -0.063 0.000 1.416 298 D CA -0.141 53.811 54.000 -0.080 0.000 0.796 298 D CB 0.419 41.142 40.800 -0.127 0.000 1.185 298 D HN 0.113 nan 8.370 nan 0.000 0.451 299 T N -0.856 113.690 114.554 -0.014 0.000 2.925 299 T HA 0.108 4.454 4.350 -0.008 0.000 0.245 299 T C -0.044 174.709 174.700 0.087 0.000 1.025 299 T CA 0.317 62.406 62.100 -0.019 0.000 1.149 299 T CB 0.372 69.187 68.868 -0.089 0.000 0.866 299 T HN 0.169 nan 8.240 nan 0.000 0.437 300 D N -0.149 120.350 120.400 0.165 0.000 2.414 300 D HA 0.103 4.738 4.640 -0.008 0.000 0.187 300 D C 0.126 176.548 176.300 0.202 0.000 1.255 300 D CA -0.322 53.792 54.000 0.190 0.000 0.825 300 D CB 1.003 41.978 40.800 0.292 0.000 1.912 300 D HN -0.057 nan 8.370 nan 0.000 0.530 301 K N 1.977 122.466 120.400 0.149 0.000 2.211 301 K HA -0.085 4.230 4.320 -0.008 0.000 0.203 301 K C 0.695 177.393 176.600 0.164 0.000 1.050 301 K CA 1.010 57.384 56.287 0.145 0.000 0.945 301 K CB 0.270 32.834 32.500 0.106 0.000 0.732 301 K HN 0.304 nan 8.250 nan 0.000 0.451 302 D N 0.633 121.125 120.400 0.152 0.000 2.309 302 D HA -0.155 4.481 4.640 -0.008 0.000 0.212 302 D C 0.994 177.365 176.300 0.119 0.000 0.968 302 D CA 1.063 55.138 54.000 0.125 0.000 0.882 302 D CB 0.123 40.980 40.800 0.095 0.000 0.918 302 D HN 0.482 nan 8.370 nan 0.000 0.503 303 R N -0.440 120.168 120.500 0.180 0.000 2.582 303 R HA 0.178 4.513 4.340 -0.008 0.000 0.453 303 R C -0.280 176.195 176.300 0.291 0.000 0.969 303 R CA -0.322 55.876 56.100 0.163 0.000 1.113 303 R CB -0.085 30.226 30.300 0.018 0.000 1.507 303 R HN 0.008 nan 8.270 nan 0.000 0.587 304 T N -3.307 111.428 114.554 0.302 0.000 2.865 304 T HA 0.846 5.191 4.350 -0.008 0.000 0.294 304 T C 0.442 175.260 174.700 0.197 0.000 1.119 304 T CA -0.244 62.022 62.100 0.277 0.000 1.007 304 T CB 2.142 71.215 68.868 0.342 0.000 1.225 304 T HN 0.477 nan 8.240 nan 0.000 0.515 305 G N 0.410 109.291 108.800 0.135 0.000 2.500 305 G HA2 0.006 3.961 3.960 -0.008 0.000 0.209 305 G HA3 0.006 3.961 3.960 -0.008 0.000 0.209 305 G C 0.171 175.100 174.900 0.047 0.000 1.283 305 G CA -0.125 45.031 45.100 0.094 0.000 0.960 305 G HN 0.781 nan 8.290 nan 0.000 0.528 306 M N 0.367 119.986 119.600 0.032 0.000 2.428 306 M HA 0.324 4.799 4.480 -0.008 0.000 0.239 306 M C 1.346 177.610 176.300 -0.060 0.000 1.121 306 M CA 0.351 55.660 55.300 0.016 0.000 1.019 306 M CB -0.920 31.701 32.600 0.035 0.000 1.485 306 M HN 0.788 nan 8.290 nan 0.000 0.484 307 L N 1.447 122.591 121.223 -0.133 0.000 3.826 307 L HA -0.220 4.115 4.340 -0.008 0.000 0.566 307 L C -1.390 175.202 176.870 -0.463 0.000 1.217 307 L CA -0.607 53.987 54.840 -0.409 0.000 0.823 307 L CB -1.456 40.150 42.059 -0.755 0.000 1.381 307 L HN 0.124 nan 8.230 nan 0.000 0.825 308 P HA -0.232 nan 4.420 nan 0.000 0.219 308 P C 1.461 178.732 177.300 -0.050 0.000 1.146 308 P CA 1.646 64.732 63.100 -0.023 0.000 0.808 308 P CB -0.083 31.631 31.700 0.024 0.000 0.779 309 F N -0.918 118.970 119.950 -0.103 0.000 2.333 309 F HA -0.063 4.459 4.527 -0.008 0.000 0.300 309 F C 1.730 177.369 175.800 -0.269 0.000 1.083 309 F CA 0.442 58.373 58.000 -0.115 0.000 1.395 309 F CB -1.979 36.963 39.000 -0.096 0.000 1.056 309 F HN -0.310 nan 8.300 nan 0.000 0.529 310 V N 0.422 119.562 119.914 -1.290 0.000 2.490 310 V HA -0.287 3.828 4.120 -0.008 0.000 0.250 310 V C 1.896 177.380 176.094 -1.017 0.000 1.061 310 V CA 1.774 62.996 62.300 -1.796 0.000 1.064 310 V CB -0.974 29.516 31.823 -2.221 0.000 0.670 310 V HN 0.386 nan 8.190 nan 0.000 0.461 311 F N -0.800 118.873 119.950 -0.462 0.000 2.797 311 F HA 0.151 4.674 4.527 -0.008 0.000 0.302 311 F C 0.923 176.677 175.800 -0.076 0.000 1.130 311 F CA -0.318 57.556 58.000 -0.210 0.000 1.387 311 F CB -0.223 38.685 39.000 -0.154 0.000 1.107 311 F HN 0.149 nan 8.300 nan 0.000 0.577 312 D N 0.583 121.042 120.400 0.099 0.000 2.372 312 D HA -0.025 4.610 4.640 -0.008 0.000 0.243 312 D C 0.983 177.358 176.300 0.125 0.000 1.121 312 D CA 0.122 54.199 54.000 0.128 0.000 0.898 312 D CB 0.693 41.590 40.800 0.161 0.000 1.202 312 D HN 0.036 nan 8.370 nan 0.000 0.428 313 D N -0.144 120.316 120.400 0.098 0.000 2.263 313 D HA -0.134 4.501 4.640 -0.008 0.000 0.208 313 D C 1.772 178.117 176.300 0.074 0.000 0.971 313 D CA 0.854 54.900 54.000 0.076 0.000 0.867 313 D CB -0.101 40.733 40.800 0.056 0.000 0.929 313 D HN 0.357 nan 8.370 nan 0.000 0.492 314 S N -0.149 115.608 115.700 0.095 0.000 2.515 314 S HA -0.107 4.358 4.470 -0.008 0.000 0.231 314 S C 0.751 175.406 174.600 0.092 0.000 0.987 314 S CA -0.412 57.837 58.200 0.082 0.000 0.936 314 S CB -0.584 62.671 63.200 0.092 0.000 0.766 314 S HN 0.135 nan 8.310 nan 0.000 0.528 315 F N 2.842 122.791 119.950 -0.002 0.000 2.563 315 F HA 0.501 5.024 4.527 -0.008 0.000 0.363 315 F C 0.758 176.516 175.800 -0.071 0.000 1.123 315 F CA 0.820 58.807 58.000 -0.021 0.000 1.307 315 F CB 0.179 39.108 39.000 -0.119 0.000 1.115 315 F HN 0.356 nan 8.300 nan 0.000 0.592 316 G N 4.203 112.141 108.800 -1.437 0.000 2.342 316 G HA2 0.148 4.104 3.960 -0.008 0.000 0.297 316 G HA3 0.148 4.104 3.960 -0.008 0.000 0.297 316 G C -0.518 173.883 174.900 -0.832 0.000 1.313 316 G CA -0.641 43.816 45.100 -1.072 0.000 0.830 316 G HN 0.468 nan 8.290 nan 0.000 0.506 317 F N 0.289 120.014 119.950 -0.375 0.000 2.120 317 F HA -0.018 4.505 4.527 -0.007 0.000 0.300 317 F C 2.590 178.398 175.800 0.012 0.000 1.095 317 F CA 2.092 60.010 58.000 -0.136 0.000 1.249 317 F CB -0.072 38.882 39.000 -0.075 0.000 0.995 317 F HN 0.684 nan 8.300 nan 0.000 0.480 318 E N 0.112 120.405 120.200 0.155 0.000 2.058 318 E HA -0.330 4.015 4.350 -0.008 0.000 0.194 318 E C 2.266 178.948 176.600 0.138 0.000 0.997 318 E CA 1.622 58.099 56.400 0.127 0.000 0.801 318 E CB -0.259 29.479 29.700 0.064 0.000 0.746 318 E HN 0.544 nan 8.360 nan 0.000 0.450 319 Q N -0.821 119.039 119.800 0.100 0.000 2.119 319 Q HA -0.215 4.120 4.340 -0.008 0.000 0.201 319 Q C 1.967 178.166 176.000 0.331 0.000 0.972 319 Q CA 1.446 57.355 55.803 0.176 0.000 0.847 319 Q CB -0.267 28.626 28.738 0.257 0.000 0.903 319 Q HN 0.427 nan 8.270 nan 0.000 0.433 320 Y N -0.045 120.484 120.300 0.381 0.000 2.181 320 Y HA -0.220 4.325 4.550 -0.009 0.000 0.288 320 Y C 1.964 178.126 175.900 0.438 0.000 1.146 320 Y CA 1.517 59.951 58.100 0.556 0.000 1.164 320 Y CB -0.108 38.699 38.460 0.579 0.000 0.982 320 Y HN -0.026 nan 8.280 nan 0.000 0.515 321 V N 0.347 120.541 119.914 0.467 0.000 2.287 321 V HA -0.328 3.788 4.120 -0.008 0.000 0.248 321 V C 2.003 178.234 176.094 0.229 0.000 1.053 321 V CA 2.242 64.790 62.300 0.413 0.000 1.027 321 V CB -0.641 31.386 31.823 0.339 0.000 0.646 321 V HN 0.398 nan 8.190 nan 0.000 0.447 322 D N -1.114 119.368 120.400 0.137 0.000 2.123 322 D HA -0.209 4.426 4.640 -0.008 0.000 0.196 322 D C 1.901 178.201 176.300 -0.001 0.000 0.992 322 D CA 1.653 55.683 54.000 0.050 0.000 0.833 322 D CB -0.327 40.481 40.800 0.014 0.000 0.954 322 D HN 0.603 nan 8.370 nan 0.000 0.455 323 Y N 1.790 121.973 120.300 -0.194 0.000 2.070 323 Y HA -0.232 4.313 4.550 -0.008 0.000 0.280 323 Y C 2.279 178.069 175.900 -0.185 0.000 1.148 323 Y CA 1.979 59.898 58.100 -0.303 0.000 1.125 323 Y CB -0.698 37.488 38.460 -0.456 0.000 0.975 323 Y HN -0.050 nan 8.280 nan 0.000 0.492 324 A N 0.595 123.182 122.820 -0.390 0.000 1.940 324 A HA -0.172 4.143 4.320 -0.008 0.000 0.219 324 A C 2.379 179.968 177.584 0.007 0.000 1.176 324 A CA 1.909 53.726 52.037 -0.366 0.000 0.631 324 A CB -1.249 17.642 19.000 -0.181 0.000 0.814 324 A HN 0.604 nan 8.150 nan 0.000 0.446 325 L N -0.574 120.724 121.223 0.125 0.000 2.131 325 L HA -0.179 4.156 4.340 -0.008 0.000 0.210 325 L C 1.739 178.643 176.870 0.057 0.000 1.092 325 L CA 1.296 56.228 54.840 0.154 0.000 0.759 325 L CB -0.551 41.571 42.059 0.106 0.000 0.903 325 L HN 0.308 nan 8.230 nan 0.000 0.435 326 D N -0.483 119.892 120.400 -0.042 0.000 2.269 326 D HA -0.032 4.603 4.640 -0.008 0.000 0.208 326 D C 0.708 176.954 176.300 -0.090 0.000 0.963 326 D CA 0.507 54.469 54.000 -0.063 0.000 0.864 326 D CB 0.069 40.819 40.800 -0.082 0.000 0.936 326 D HN 0.039 nan 8.370 nan 0.000 0.505 327 V N 3.300 123.111 119.914 -0.172 0.000 2.470 327 V HA 0.106 4.221 4.120 -0.008 0.000 0.276 327 V C -1.973 174.110 176.094 -0.018 0.000 1.040 327 V CA -1.295 60.892 62.300 -0.188 0.000 1.008 327 V CB 0.957 32.522 31.823 -0.430 0.000 0.990 327 V HN -0.052 nan 8.190 nan 0.000 0.477 328 P HA 0.168 nan 4.420 nan 0.000 0.269 328 P C -0.070 177.198 177.300 -0.053 0.000 1.215 328 P CA -0.206 62.891 63.100 -0.006 0.000 0.780 328 P CB 0.520 32.236 31.700 0.026 0.000 0.898 329 M N 1.604 121.173 119.600 -0.052 0.000 2.247 329 M HA 0.136 4.611 4.480 -0.008 0.000 0.326 329 M C 0.572 176.744 176.300 -0.214 0.000 1.134 329 M CA 0.088 55.337 55.300 -0.085 0.000 1.136 329 M CB 0.492 33.053 32.600 -0.065 0.000 1.454 329 M HN 0.414 nan 8.290 nan 0.000 0.467 330 Y N 0.912 120.968 120.300 -0.408 0.000 2.396 330 Y HA 0.220 4.765 4.550 -0.008 0.000 0.292 330 Y C 0.029 175.758 175.900 -0.285 0.000 1.128 330 Y CA -0.067 57.709 58.100 -0.539 0.000 1.194 330 Y CB 0.227 38.147 38.460 -0.900 0.000 1.124 330 Y HN 0.577 nan 8.280 nan 0.000 0.543 331 F N -2.596 117.509 119.950 0.258 0.000 2.807 331 F HA 0.777 5.298 4.527 -0.009 0.000 0.316 331 F C -1.182 174.750 175.800 0.221 0.000 1.162 331 F CA -2.493 55.641 58.000 0.224 0.000 0.910 331 F CB 0.714 39.917 39.000 0.339 0.000 1.314 331 F HN -0.244 nan 8.300 nan 0.000 0.454 332 A N 0.713 123.798 122.820 0.441 0.000 2.393 332 A HA 0.661 4.976 4.320 -0.008 0.000 0.306 332 A C -2.332 175.383 177.584 0.218 0.000 1.050 332 A CA -0.779 51.458 52.037 0.333 0.000 0.724 332 A CB 1.010 20.009 19.000 -0.002 0.000 1.248 332 A HN 0.925 nan 8.150 nan 0.000 0.424 333 Y N 2.103 122.410 120.300 0.010 0.000 2.436 333 Y HA 0.606 5.151 4.550 -0.009 0.000 0.343 333 Y C 0.197 176.021 175.900 -0.127 0.000 1.008 333 Y CA 0.559 58.474 58.100 -0.309 0.000 1.241 333 Y CB 0.438 38.597 38.460 -0.500 0.000 1.153 333 Y HN 0.729 nan 8.280 nan 0.000 0.521 334 R N 3.448 123.675 120.500 -0.456 0.000 2.626 334 R HA 0.274 4.609 4.340 -0.008 0.000 0.274 334 R C -0.761 175.320 176.300 -0.365 0.000 1.031 334 R CA -1.309 54.637 56.100 -0.255 0.000 0.898 334 R CB 0.880 31.107 30.300 -0.122 0.000 1.222 334 R HN 0.799 nan 8.270 nan 0.000 0.455 335 N N 1.377 119.944 118.700 -0.222 0.000 2.721 335 N HA -0.238 4.497 4.740 -0.008 0.000 0.249 335 N C 0.493 175.848 175.510 -0.257 0.000 1.072 335 N CA 1.491 54.433 53.050 -0.181 0.000 0.710 335 N CB -0.652 37.752 38.487 -0.137 0.000 0.993 335 N HN 1.003 nan 8.380 nan 0.000 0.547 336 G N -1.035 107.535 108.800 -0.383 0.000 2.179 336 G HA2 -0.372 3.583 3.960 -0.008 0.000 0.260 336 G HA3 -0.372 3.583 3.960 -0.008 0.000 0.260 336 G C -0.037 174.490 174.900 -0.623 0.000 0.977 336 G CA 0.978 45.873 45.100 -0.340 0.000 0.641 336 G HN 0.788 nan 8.290 nan 0.000 0.533 337 K N -1.140 118.709 120.400 -0.919 0.000 2.509 337 K HA 0.635 4.950 4.320 -0.008 0.000 0.266 337 K C -1.154 175.030 176.600 -0.693 0.000 0.987 337 K CA -1.300 54.611 56.287 -0.628 0.000 0.868 337 K CB 1.324 33.674 32.500 -0.250 0.000 1.421 337 K HN 0.022 nan 8.250 nan 0.000 0.444 338 Y N 0.933 121.098 120.300 -0.225 0.000 2.436 338 Y HA 0.193 4.739 4.550 -0.007 0.000 0.343 338 Y C 0.037 175.904 175.900 -0.055 0.000 1.008 338 Y CA -0.460 57.568 58.100 -0.120 0.000 1.241 338 Y CB 1.350 39.670 38.460 -0.233 0.000 1.153 338 Y HN 0.188 nan 8.280 nan 0.000 0.521 339 V N 3.629 123.609 119.914 0.110 0.000 2.509 339 V HA 0.051 4.166 4.120 -0.008 0.000 0.284 339 V C 0.096 176.295 176.094 0.177 0.000 1.047 339 V CA -0.992 61.357 62.300 0.082 0.000 0.952 339 V CB 1.395 33.216 31.823 -0.004 0.000 0.988 339 V HN 0.607 nan 8.190 nan 0.000 0.469 340 D N 2.988 123.463 120.400 0.124 0.000 2.338 340 D HA 0.128 4.764 4.640 -0.008 0.000 0.255 340 D C -0.031 176.312 176.300 0.072 0.000 1.237 340 D CA -0.067 54.013 54.000 0.133 0.000 0.883 340 D CB 0.827 41.683 40.800 0.094 0.000 1.087 340 D HN 0.640 nan 8.370 nan 0.000 0.485 341 c N 3.772 122.412 118.600 0.068 0.000 2.741 341 c HA 0.174 4.739 4.570 -0.008 0.000 0.267 341 c C 0.705 174.771 174.090 -0.040 0.000 1.549 341 c CA -0.588 55.731 56.329 -0.015 0.000 1.772 341 c CB -1.366 41.102 42.510 -0.069 0.000 2.962 341 c HN 0.646 nan 8.230 nan 0.000 0.514 342 T N -1.467 113.067 114.554 -0.034 0.000 2.926 342 T HA 0.438 4.783 4.350 -0.008 0.000 0.307 342 T C 1.335 176.027 174.700 -0.012 0.000 1.059 342 T CA 0.914 62.937 62.100 -0.128 0.000 1.122 342 T CB 1.009 69.779 68.868 -0.164 0.000 0.972 342 T HN 1.226 nan 8.240 nan 0.000 0.545 343 G N 2.062 110.870 108.800 0.013 0.000 2.168 343 G HA2 -0.247 3.709 3.960 -0.008 0.000 0.263 343 G HA3 -0.247 3.709 3.960 -0.008 0.000 0.263 343 G C 0.010 174.926 174.900 0.026 0.000 0.977 343 G CA 0.616 45.769 45.100 0.088 0.000 0.659 343 G HN 0.849 nan 8.290 nan 0.000 0.533 344 M N 0.109 119.697 119.600 -0.020 0.000 2.762 344 M HA 0.669 5.144 4.480 -0.008 0.000 0.306 344 M C 0.533 176.808 176.300 -0.042 0.000 1.223 344 M CA -0.208 55.068 55.300 -0.039 0.000 0.896 344 M CB 2.223 34.778 32.600 -0.075 0.000 1.684 344 M HN 0.369 nan 8.290 nan 0.000 0.491 345 T N -2.578 111.951 114.554 -0.042 0.000 2.924 345 T HA 0.463 4.808 4.350 -0.008 0.000 0.291 345 T C 0.133 174.823 174.700 -0.016 0.000 1.045 345 T CA -0.706 61.383 62.100 -0.017 0.000 1.015 345 T CB 1.095 69.967 68.868 0.008 0.000 1.103 345 T HN 0.544 nan 8.240 nan 0.000 0.496 346 F N 0.966 120.826 119.950 -0.150 0.000 2.365 346 F HA 0.144 4.667 4.527 -0.007 0.000 0.300 346 F C 2.595 178.383 175.800 -0.020 0.000 1.090 346 F CA 0.781 58.734 58.000 -0.078 0.000 1.408 346 F CB -0.035 38.850 39.000 -0.191 0.000 1.060 346 F HN 0.545 nan 8.300 nan 0.000 0.534 347 R N -0.238 120.320 120.500 0.096 0.000 2.081 347 R HA -0.180 4.155 4.340 -0.008 0.000 0.235 347 R C 2.147 178.433 176.300 -0.023 0.000 1.131 347 R CA 1.679 57.795 56.100 0.026 0.000 0.960 347 R CB -0.543 29.770 30.300 0.021 0.000 0.856 347 R HN 0.416 nan 8.270 nan 0.000 0.436 348 Q N -0.030 119.754 119.800 -0.026 0.000 2.030 348 Q HA -0.188 4.148 4.340 -0.008 0.000 0.204 348 Q C 1.940 177.923 176.000 -0.029 0.000 0.986 348 Q CA 1.734 57.514 55.803 -0.039 0.000 0.843 348 Q CB -0.268 28.438 28.738 -0.054 0.000 0.904 348 Q HN 0.357 nan 8.270 nan 0.000 0.420 349 F N 1.088 120.858 119.950 -0.300 0.000 2.065 349 F HA -0.322 4.199 4.527 -0.009 0.000 0.298 349 F C 2.078 177.644 175.800 -0.390 0.000 1.112 349 F CA 0.815 58.558 58.000 -0.428 0.000 1.212 349 F CB -0.012 38.498 39.000 -0.817 0.000 0.975 349 F HN 0.084 nan 8.300 nan 0.000 0.476 350 L N 0.047 121.116 121.223 -0.256 0.000 2.051 350 L HA -0.298 4.037 4.340 -0.008 0.000 0.214 350 L C 2.524 179.310 176.870 -0.140 0.000 1.076 350 L CA 1.356 56.050 54.840 -0.243 0.000 0.758 350 L CB -0.812 41.154 42.059 -0.155 0.000 0.890 350 L HN 0.206 nan 8.230 nan 0.000 0.433 351 A N -0.827 121.944 122.820 -0.081 0.000 2.238 351 A HA 0.263 4.578 4.320 -0.008 0.000 0.208 351 A C 1.635 179.196 177.584 -0.039 0.000 1.177 351 A CA 0.704 52.707 52.037 -0.056 0.000 0.804 351 A CB -0.413 18.562 19.000 -0.042 0.000 0.823 351 A HN 0.559 nan 8.150 nan 0.000 0.482 352 G N -0.491 108.299 108.800 -0.017 0.000 2.160 352 G HA2 -0.255 3.700 3.960 -0.008 0.000 0.244 352 G HA3 -0.255 3.700 3.960 -0.008 0.000 0.244 352 G C 0.331 175.229 174.900 -0.003 0.000 1.022 352 G CA 0.643 45.750 45.100 0.010 0.000 0.741 352 G HN 0.531 nan 8.290 nan 0.000 0.508 353 K N -0.351 120.040 120.400 -0.015 0.000 2.792 353 K HA 0.342 4.657 4.320 -0.008 0.000 0.207 353 K C 0.653 177.216 176.600 -0.062 0.000 1.103 353 K CA -0.531 55.734 56.287 -0.036 0.000 1.048 353 K CB 0.632 33.113 32.500 -0.031 0.000 0.777 353 K HN 0.324 nan 8.250 nan 0.000 0.468 354 L N 2.567 123.731 121.223 -0.100 0.000 2.433 354 L HA 0.072 4.407 4.340 -0.008 0.000 0.275 354 L C -1.583 175.207 176.870 -0.134 0.000 1.128 354 L CA -1.443 53.293 54.840 -0.174 0.000 0.875 354 L CB 0.819 42.651 42.059 -0.379 0.000 1.171 354 L HN -0.053 nan 8.230 nan 0.000 0.463 355 P HA -0.159 nan 4.420 nan 0.000 0.218 355 P C 1.558 178.812 177.300 -0.077 0.000 1.148 355 P CA 1.055 64.113 63.100 -0.070 0.000 0.822 355 P CB -0.003 31.668 31.700 -0.048 0.000 0.784 356 c N -3.047 115.492 118.600 -0.101 0.000 2.456 356 c HA 0.144 4.710 4.570 -0.008 0.000 0.279 356 c C 1.219 175.241 174.090 -0.114 0.000 1.427 356 c CA -0.009 56.264 56.329 -0.094 0.000 1.778 356 c CB -1.761 40.693 42.510 -0.094 0.000 1.842 356 c HN 0.088 nan 8.230 nan 0.000 0.531 357 L N 0.492 121.625 121.223 -0.149 0.000 2.527 357 L HA 0.338 4.674 4.340 -0.008 0.000 0.261 357 L C -2.681 174.128 176.870 -0.102 0.000 1.534 357 L CA -1.286 53.470 54.840 -0.139 0.000 0.757 357 L CB 0.970 42.898 42.059 -0.218 0.000 0.999 357 L HN -0.093 nan 8.230 nan 0.000 0.517 358 P HA 0.098 nan 4.420 nan 0.000 0.261 358 P C 1.072 178.352 177.300 -0.033 0.000 1.183 358 P CA 1.124 64.194 63.100 -0.051 0.000 0.761 358 P CB 0.878 32.553 31.700 -0.041 0.000 0.785 359 G N 1.719 110.505 108.800 -0.022 0.000 2.234 359 G HA2 -0.225 3.731 3.960 -0.008 0.000 0.260 359 G HA3 -0.225 3.731 3.960 -0.008 0.000 0.260 359 G C 0.196 175.105 174.900 0.014 0.000 0.987 359 G CA -0.245 44.850 45.100 -0.008 0.000 0.625 359 G HN 0.520 nan 8.290 nan 0.000 0.532 360 E N 0.361 120.584 120.200 0.038 0.000 2.360 360 E HA 0.507 4.852 4.350 -0.008 0.000 0.269 360 E C 0.581 177.303 176.600 0.204 0.000 1.022 360 E CA -0.022 56.445 56.400 0.112 0.000 0.887 360 E CB 1.024 30.808 29.700 0.139 0.000 0.990 360 E HN 0.465 nan 8.360 nan 0.000 0.426 361 L N 4.971 126.240 121.223 0.076 0.000 2.325 361 L HA 0.398 4.733 4.340 -0.008 0.000 0.278 361 L C -2.005 174.632 176.870 -0.388 0.000 1.023 361 L CA -2.005 52.759 54.840 -0.126 0.000 0.811 361 L CB 1.674 43.649 42.059 -0.140 0.000 1.249 361 L HN 0.266 nan 8.230 nan 0.000 0.431 362 P HA 0.183 nan 4.420 nan 0.000 0.277 362 P C -0.707 176.297 177.300 -0.493 0.000 1.240 362 P CA -0.330 62.091 63.100 -1.132 0.000 0.798 362 P CB 1.231 31.969 31.700 -1.603 0.000 0.979 363 T N -1.089 113.294 114.554 -0.286 0.000 2.922 363 T HA 0.289 4.635 4.350 -0.008 0.000 0.281 363 T C 0.989 175.593 174.700 -0.160 0.000 1.005 363 T CA -0.279 61.696 62.100 -0.209 0.000 0.982 363 T CB 0.109 68.949 68.868 -0.048 0.000 1.158 363 T HN 0.180 nan 8.240 nan 0.000 0.566 364 Y N 0.839 121.126 120.300 -0.022 0.000 2.274 364 Y HA -0.059 4.487 4.550 -0.006 0.000 0.290 364 Y C 2.688 178.544 175.900 -0.074 0.000 1.145 364 Y CA 1.242 59.283 58.100 -0.098 0.000 1.203 364 Y CB -0.847 37.584 38.460 -0.048 0.000 0.984 364 Y HN 0.543 nan 8.280 nan 0.000 0.533 365 N N 0.189 118.987 118.700 0.163 0.000 2.120 365 N HA -0.167 4.568 4.740 -0.008 0.000 0.188 365 N C 1.337 176.959 175.510 0.187 0.000 1.024 365 N CA 1.544 54.683 53.050 0.148 0.000 0.852 365 N CB -0.493 38.072 38.487 0.130 0.000 1.003 365 N HN 0.389 nan 8.380 nan 0.000 0.424 366 D N 0.070 120.608 120.400 0.231 0.000 2.123 366 D HA -0.180 4.455 4.640 -0.008 0.000 0.196 366 D C 1.708 178.312 176.300 0.507 0.000 0.992 366 D CA 0.549 54.787 54.000 0.397 0.000 0.833 366 D CB -0.348 40.654 40.800 0.337 0.000 0.954 366 D HN 0.448 nan 8.370 nan 0.000 0.455 367 W N 1.764 123.125 121.300 0.102 0.000 2.379 367 W HA -0.223 4.434 4.660 -0.005 0.000 0.307 367 W C 2.226 178.637 176.519 -0.179 0.000 1.200 367 W CA 1.256 58.452 57.345 -0.249 0.000 1.297 367 W CB 0.096 29.337 29.460 -0.366 0.000 1.140 367 W HN -0.082 nan 8.180 nan 0.000 0.507 368 E N 0.926 121.018 120.200 -0.180 0.000 2.070 368 E HA -0.287 4.058 4.350 -0.008 0.000 0.197 368 E C 1.631 178.199 176.600 -0.054 0.000 1.004 368 E CA 2.440 58.751 56.400 -0.149 0.000 0.805 368 E CB -1.013 28.714 29.700 0.044 0.000 0.744 368 E HN 0.387 nan 8.360 nan 0.000 0.451 369 N N -1.368 117.395 118.700 0.105 0.000 2.069 369 N HA -0.239 4.496 4.740 -0.008 0.000 0.191 369 N C 1.820 177.416 175.510 0.142 0.000 1.031 369 N CA 1.213 54.401 53.050 0.229 0.000 0.852 369 N CB -0.312 38.425 38.487 0.417 0.000 1.018 369 N HN 0.270 nan 8.380 nan 0.000 0.423 370 H N 1.083 120.135 119.070 -0.030 0.000 2.353 370 H HA 0.048 4.599 4.556 -0.007 0.000 0.300 370 H C 1.920 177.004 175.328 -0.407 0.000 1.090 370 H CA 1.192 57.121 56.048 -0.199 0.000 1.327 370 H CB -0.279 29.375 29.762 -0.180 0.000 1.383 370 H HN 0.125 nan 8.280 nan 0.000 0.508 371 L N -0.495 120.363 121.223 -0.608 0.000 2.187 371 L HA -0.140 4.195 4.340 -0.008 0.000 0.213 371 L C 1.773 178.400 176.870 -0.406 0.000 1.100 371 L CA 1.666 56.137 54.840 -0.616 0.000 0.765 371 L CB -0.239 41.466 42.059 -0.590 0.000 0.904 371 L HN 0.326 nan 8.230 nan 0.000 0.437 372 T N -2.420 111.969 114.554 -0.275 0.000 3.107 372 T HA -0.032 4.314 4.350 -0.008 0.000 0.249 372 T C 1.623 176.197 174.700 -0.210 0.000 1.096 372 T CA 1.034 63.059 62.100 -0.125 0.000 1.012 372 T CB -0.106 68.789 68.868 0.046 0.000 0.977 372 T HN 0.453 nan 8.240 nan 0.000 0.527 373 T N -0.302 113.963 114.554 -0.481 0.000 3.122 373 T HA 0.391 4.737 4.350 -0.008 0.000 0.250 373 T C 0.379 174.272 174.700 -1.345 0.000 1.067 373 T CA -0.358 61.261 62.100 -0.803 0.000 0.966 373 T CB -0.533 67.850 68.868 -0.808 0.000 1.002 373 T HN 0.274 nan 8.240 nan 0.000 0.542 374 I N 1.359 121.291 120.570 -1.064 0.000 2.359 374 I HA 0.433 4.599 4.170 -0.008 0.000 0.294 374 I C -0.835 174.936 176.117 -0.577 0.000 0.987 374 I CA -1.226 59.630 61.300 -0.739 0.000 1.225 374 I CB 1.389 39.145 38.000 -0.406 0.000 1.366 374 I HN 0.049 nan 8.210 nan 0.000 0.466 375 F N 5.841 125.824 119.950 0.056 0.000 2.577 375 F HA 0.375 4.897 4.527 -0.007 0.000 0.342 375 F C -2.395 173.337 175.800 -0.113 0.000 1.479 375 F CA -2.234 55.742 58.000 -0.040 0.000 1.110 375 F CB -0.202 38.839 39.000 0.068 0.000 1.306 375 F HN 0.224 nan 8.300 nan 0.000 0.554 376 P HA 0.156 nan 4.420 nan 0.000 0.289 376 P C 0.927 178.186 177.300 -0.068 0.000 1.299 376 P CA -0.142 62.999 63.100 0.068 0.000 0.766 376 P CB 1.184 32.977 31.700 0.156 0.000 1.226 377 E N -1.118 119.052 120.200 -0.051 0.000 2.208 377 E HA 0.019 4.364 4.350 -0.008 0.000 0.193 377 E C 0.149 176.678 176.600 -0.119 0.000 0.988 377 E CA 0.992 57.334 56.400 -0.097 0.000 0.828 377 E CB -0.135 29.551 29.700 -0.023 0.000 0.763 377 E HN 0.136 nan 8.360 nan 0.000 0.478 378 V N 1.247 121.119 119.914 -0.071 0.000 2.638 378 V HA 0.318 4.433 4.120 -0.008 0.000 0.306 378 V C -0.119 175.895 176.094 -0.132 0.000 1.052 378 V CA -0.851 61.339 62.300 -0.183 0.000 0.885 378 V CB 2.680 34.369 31.823 -0.223 0.000 0.999 378 V HN -0.035 nan 8.190 nan 0.000 0.424 379 R N 3.681 124.044 120.500 -0.229 0.000 2.589 379 R HA 0.735 5.070 4.340 -0.008 0.000 0.293 379 R C -1.797 174.275 176.300 -0.380 0.000 0.963 379 R CA -0.722 55.296 56.100 -0.137 0.000 0.905 379 R CB 1.845 32.113 30.300 -0.053 0.000 1.144 379 R HN 0.579 nan 8.270 nan 0.000 0.459 380 L N 3.819 124.774 121.223 -0.445 0.000 2.322 380 L HA 0.474 4.809 4.340 -0.008 0.000 0.281 380 L C -0.762 175.890 176.870 -0.364 0.000 1.014 380 L CA 0.066 54.553 54.840 -0.588 0.000 0.815 380 L CB 1.450 42.949 42.059 -0.934 0.000 1.247 380 L HN 0.757 nan 8.230 nan 0.000 0.421 381 K N 3.256 123.467 120.400 -0.314 0.000 2.015 381 K HA 0.456 4.771 4.320 -0.008 0.000 0.300 381 K C 0.723 177.223 176.600 -0.168 0.000 0.949 381 K CA -0.737 55.382 56.287 -0.281 0.000 0.836 381 K CB 0.582 32.784 32.500 -0.496 0.000 3.402 381 K HN 0.352 nan 8.250 nan 0.000 1.179 382 R N 0.398 120.708 120.500 -0.317 0.000 2.307 382 R HA 0.025 4.360 4.340 -0.008 0.000 0.199 382 R C 0.013 176.205 176.300 -0.179 0.000 1.000 382 R CA 0.926 56.903 56.100 -0.205 0.000 1.023 382 R CB -0.072 30.031 30.300 -0.329 0.000 0.908 382 R HN 0.356 nan 8.270 nan 0.000 0.473 383 Y N -3.318 116.921 120.300 -0.102 0.000 2.669 383 Y HA 0.543 5.089 4.550 -0.008 0.000 0.335 383 Y C -0.677 175.198 175.900 -0.042 0.000 1.116 383 Y CA -1.962 56.012 58.100 -0.209 0.000 1.081 383 Y CB 0.839 39.160 38.460 -0.231 0.000 1.297 383 Y HN -0.314 nan 8.280 nan 0.000 0.484 384 M N 1.508 121.200 119.600 0.153 0.000 2.364 384 M HA 0.453 4.928 4.480 -0.008 0.000 0.334 384 M C -1.684 174.559 176.300 -0.095 0.000 1.107 384 M CA -0.276 54.980 55.300 -0.073 0.000 0.988 384 M CB 1.715 34.213 32.600 -0.170 0.000 1.673 384 M HN 0.867 nan 8.290 nan 0.000 0.441 385 E N 4.770 124.860 120.200 -0.184 0.000 2.158 385 E HA 0.384 4.729 4.350 -0.008 0.000 0.271 385 E C -1.156 175.251 176.600 -0.322 0.000 0.911 385 E CA -0.711 55.584 56.400 -0.174 0.000 0.767 385 E CB 1.809 31.474 29.700 -0.060 0.000 1.120 385 E HN 0.587 nan 8.360 nan 0.000 0.405 386 M N 2.934 122.287 119.600 -0.410 0.000 2.077 386 M HA 0.260 4.735 4.480 -0.008 0.000 0.348 386 M C 0.365 176.487 176.300 -0.297 0.000 1.252 386 M CA 0.220 55.188 55.300 -0.555 0.000 1.096 386 M CB 0.382 32.320 32.600 -1.104 0.000 1.568 386 M HN 0.384 nan 8.290 nan 0.000 0.456 387 R N 0.976 121.336 120.500 -0.234 0.000 2.633 387 R HA 0.272 4.607 4.340 -0.008 0.000 0.348 387 R C 1.410 177.613 176.300 -0.161 0.000 1.100 387 R CA -0.141 55.845 56.100 -0.190 0.000 1.068 387 R CB 0.431 30.590 30.300 -0.236 0.000 1.351 387 R HN 0.921 nan 8.270 nan 0.000 0.575 388 G N -0.055 108.703 108.800 -0.071 0.000 2.796 388 G HA2 0.184 4.139 3.960 -0.008 0.000 0.210 388 G HA3 0.184 4.139 3.960 -0.008 0.000 0.210 388 G C 0.302 175.227 174.900 0.042 0.000 1.146 388 G CA 0.137 45.240 45.100 0.005 0.000 0.779 388 G HN 0.265 nan 8.290 nan 0.000 0.535 389 A N 0.521 123.348 122.820 0.012 0.000 2.350 389 A HA 0.625 4.940 4.320 -0.008 0.000 0.324 389 A C -1.220 176.405 177.584 0.069 0.000 1.118 389 A CA -0.585 51.455 52.037 0.005 0.000 0.783 389 A CB 1.195 20.039 19.000 -0.259 0.000 1.236 389 A HN 0.056 nan 8.150 nan 0.000 0.457 390 D N 1.251 121.740 120.400 0.149 0.000 2.372 390 D HA 0.418 5.053 4.640 -0.008 0.000 0.243 390 D C 1.002 177.408 176.300 0.176 0.000 1.121 390 D CA 0.899 55.007 54.000 0.179 0.000 0.898 390 D CB 0.884 41.800 40.800 0.195 0.000 1.202 390 D HN 0.714 nan 8.370 nan 0.000 0.428 391 G N 0.042 108.949 108.800 0.178 0.000 2.484 391 G HA2 0.465 4.420 3.960 -0.008 0.000 0.235 391 G HA3 0.465 4.420 3.960 -0.008 0.000 0.235 391 G C 0.294 175.329 174.900 0.224 0.000 1.282 391 G CA 0.087 45.307 45.100 0.200 0.000 0.857 391 G HN 0.540 nan 8.290 nan 0.000 0.571 392 G N 1.399 110.349 108.800 0.250 0.000 2.600 392 G HA2 0.729 4.685 3.960 -0.008 0.000 0.293 392 G HA3 0.729 4.685 3.960 -0.008 0.000 0.293 392 G C -3.104 171.908 174.900 0.187 0.000 1.408 392 G CA -0.806 44.410 45.100 0.194 0.000 0.782 392 G HN 0.613 nan 8.290 nan 0.000 0.482 393 P HA 0.046 nan 4.420 nan 0.000 0.273 393 P C 1.012 178.424 177.300 0.187 0.000 1.250 393 P CA -0.383 62.733 63.100 0.026 0.000 0.793 393 P CB 0.717 32.385 31.700 -0.053 0.000 1.011 394 W N 2.164 123.601 121.300 0.228 0.000 2.363 394 W HA -0.119 4.537 4.660 -0.008 0.000 0.296 394 W C 1.382 177.995 176.519 0.156 0.000 1.212 394 W CA 0.669 58.146 57.345 0.220 0.000 1.260 394 W CB -1.386 28.205 29.460 0.217 0.000 1.131 394 W HN 0.271 nan 8.180 nan 0.000 0.530 395 R N 0.487 120.546 120.500 -0.735 0.000 2.120 395 R HA -0.044 4.291 4.340 -0.008 0.000 0.234 395 R C 2.544 178.759 176.300 -0.143 0.000 1.123 395 R CA 1.409 57.102 56.100 -0.678 0.000 0.975 395 R CB -0.311 29.473 30.300 -0.860 0.000 0.866 395 R HN 0.172 nan 8.270 nan 0.000 0.446 396 R N 0.404 120.881 120.500 -0.038 0.000 2.193 396 R HA 0.039 4.374 4.340 -0.008 0.000 0.213 396 R C 2.169 178.609 176.300 0.233 0.000 1.055 396 R CA 0.602 56.802 56.100 0.166 0.000 0.995 396 R CB -0.065 30.353 30.300 0.196 0.000 0.893 396 R HN 0.237 nan 8.270 nan 0.000 0.459 397 L N -0.337 120.981 121.223 0.157 0.000 2.093 397 L HA -0.191 4.144 4.340 -0.008 0.000 0.208 397 L C 2.280 179.190 176.870 0.066 0.000 1.085 397 L CA 0.963 55.859 54.840 0.094 0.000 0.755 397 L CB -0.378 41.691 42.059 0.016 0.000 0.904 397 L HN 0.244 nan 8.230 nan 0.000 0.435 398 c N -0.596 118.068 118.600 0.108 0.000 2.485 398 c HA 0.103 4.669 4.570 -0.008 0.000 0.277 398 c C 3.033 177.143 174.090 0.033 0.000 1.376 398 c CA 0.352 56.693 56.329 0.019 0.000 1.759 398 c CB -0.800 41.788 42.510 0.131 0.000 1.970 398 c HN 0.566 nan 8.230 nan 0.000 0.509 399 A N 0.600 123.522 122.820 0.171 0.000 1.929 399 A HA -0.038 4.277 4.320 -0.008 0.000 0.216 399 A C 2.177 179.932 177.584 0.284 0.000 1.176 399 A CA 0.994 53.183 52.037 0.254 0.000 0.628 399 A CB -0.649 18.506 19.000 0.259 0.000 0.816 399 A HN 0.482 nan 8.150 nan 0.000 0.444 400 L N 0.743 122.075 121.223 0.182 0.000 1.971 400 L HA -0.118 4.217 4.340 -0.008 0.000 0.215 400 L C -0.593 176.321 176.870 0.073 0.000 1.072 400 L CA 3.029 57.786 54.840 -0.139 0.000 0.758 400 L CB -1.833 39.959 42.059 -0.444 0.000 0.889 400 L HN 0.232 nan 8.230 nan 0.000 0.433 401 P HA -0.138 nan 4.420 nan 0.000 0.218 401 P C 1.474 178.805 177.300 0.053 0.000 1.148 401 P CA 1.989 65.118 63.100 0.047 0.000 0.822 401 P CB -0.133 31.536 31.700 -0.053 0.000 0.784 402 A N -0.463 122.387 122.820 0.050 0.000 1.898 402 A HA -0.173 4.142 4.320 -0.008 0.000 0.216 402 A C 2.141 179.787 177.584 0.103 0.000 1.181 402 A CA 1.180 53.260 52.037 0.073 0.000 0.620 402 A CB -1.820 17.263 19.000 0.138 0.000 0.819 402 A HN 0.116 nan 8.150 nan 0.000 0.442 403 F N -0.710 119.212 119.950 -0.047 0.000 2.065 403 F HA -0.251 4.271 4.527 -0.008 0.000 0.298 403 F C 2.007 177.647 175.800 -0.266 0.000 1.112 403 F CA 2.130 60.012 58.000 -0.197 0.000 1.212 403 F CB -0.494 38.322 39.000 -0.306 0.000 0.975 403 F HN 0.413 nan 8.300 nan 0.000 0.476 404 W N -0.679 120.636 121.300 0.024 0.000 2.453 404 W HA -0.035 4.621 4.660 -0.007 0.000 0.289 404 W C 2.351 178.733 176.519 -0.229 0.000 1.215 404 W CA 0.965 58.226 57.345 -0.140 0.000 1.297 404 W CB -0.766 28.643 29.460 -0.083 0.000 1.113 404 W HN -0.236 nan 8.180 nan 0.000 0.551 405 V N 0.813 120.717 119.914 -0.017 0.000 2.255 405 V HA -0.281 3.834 4.120 -0.008 0.000 0.247 405 V C 2.409 178.512 176.094 0.015 0.000 1.051 405 V CA 2.240 64.461 62.300 -0.130 0.000 1.018 405 V CB -1.589 30.187 31.823 -0.077 0.000 0.641 405 V HN 0.378 nan 8.190 nan 0.000 0.445 406 G N -0.548 108.249 108.800 -0.005 0.000 2.442 406 G HA2 -0.211 3.745 3.960 -0.008 0.000 0.219 406 G HA3 -0.211 3.745 3.960 -0.008 0.000 0.219 406 G C 1.559 176.435 174.900 -0.041 0.000 1.141 406 G CA 1.010 46.106 45.100 -0.007 0.000 0.763 406 G HN 0.494 nan 8.290 nan 0.000 0.554 407 L N -0.657 120.489 121.223 -0.128 0.000 2.179 407 L HA 0.216 4.551 4.340 -0.008 0.000 0.208 407 L C 2.422 179.312 176.870 0.034 0.000 1.096 407 L CA 0.512 55.287 54.840 -0.108 0.000 0.779 407 L CB -0.076 41.837 42.059 -0.242 0.000 0.922 407 L HN 0.168 nan 8.230 nan 0.000 0.443 408 L N -3.020 118.256 121.223 0.088 0.000 2.672 408 L HA 0.071 4.406 4.340 -0.008 0.000 0.236 408 L C 1.390 178.440 176.870 0.301 0.000 1.092 408 L CA -0.070 54.851 54.840 0.135 0.000 0.887 408 L CB 0.157 42.257 42.059 0.067 0.000 1.168 408 L HN 0.116 nan 8.230 nan 0.000 0.502 409 Y N 0.304 120.666 120.300 0.103 0.000 2.457 409 Y HA 0.186 4.731 4.550 -0.008 0.000 0.263 409 Y C 0.290 176.366 175.900 0.294 0.000 1.164 409 Y CA -0.990 57.267 58.100 0.262 0.000 1.274 409 Y CB 0.035 38.654 38.460 0.264 0.000 1.097 409 Y HN 0.113 nan 8.280 nan 0.000 0.523 410 D N -0.501 120.082 120.400 0.305 0.000 2.308 410 D HA 0.133 4.768 4.640 -0.008 0.000 0.242 410 D C 1.048 177.445 176.300 0.162 0.000 1.059 410 D CA -0.041 54.073 54.000 0.189 0.000 0.830 410 D CB 1.353 42.223 40.800 0.118 0.000 1.161 410 D HN -0.126 nan 8.370 nan 0.000 0.494 411 E N 2.475 122.759 120.200 0.141 0.000 2.153 411 E HA -0.169 4.176 4.350 -0.008 0.000 0.194 411 E C 0.682 177.327 176.600 0.076 0.000 0.988 411 E CA 1.537 58.010 56.400 0.121 0.000 0.811 411 E CB 0.140 29.898 29.700 0.097 0.000 0.746 411 E HN 0.543 nan 8.360 nan 0.000 0.466 412 D N -0.720 119.713 120.400 0.055 0.000 2.103 412 D HA -0.085 4.550 4.640 -0.008 0.000 0.199 412 D C 2.025 178.343 176.300 0.030 0.000 0.978 412 D CA 1.151 55.171 54.000 0.035 0.000 0.829 412 D CB -0.262 40.552 40.800 0.024 0.000 0.981 412 D HN 0.110 nan 8.370 nan 0.000 0.464 413 V N 1.540 121.474 119.914 0.035 0.000 2.332 413 V HA -0.225 3.890 4.120 -0.008 0.000 0.248 413 V C 2.530 178.635 176.094 0.019 0.000 1.055 413 V CA 1.077 63.388 62.300 0.019 0.000 1.038 413 V CB -0.533 31.299 31.823 0.015 0.000 0.651 413 V HN 0.129 nan 8.190 nan 0.000 0.450 414 L N 0.314 121.565 121.223 0.048 0.000 2.013 414 L HA -0.251 4.084 4.340 -0.008 0.000 0.212 414 L C 2.473 179.357 176.870 0.024 0.000 1.073 414 L CA 2.493 57.361 54.840 0.047 0.000 0.753 414 L CB -0.921 41.186 42.059 0.081 0.000 0.890 414 L HN 0.388 nan 8.230 nan 0.000 0.432 415 Q N -0.626 119.189 119.800 0.025 0.000 2.084 415 Q HA -0.160 4.176 4.340 -0.008 0.000 0.202 415 Q C 2.231 178.227 176.000 -0.006 0.000 0.978 415 Q CA 2.203 58.012 55.803 0.011 0.000 0.844 415 Q CB -0.411 28.336 28.738 0.016 0.000 0.898 415 Q HN 0.632 nan 8.270 nan 0.000 0.426 416 S N -0.815 114.881 115.700 -0.006 0.000 2.383 416 S HA -0.144 4.321 4.470 -0.008 0.000 0.229 416 S C 1.896 176.471 174.600 -0.042 0.000 1.030 416 S CA 1.299 59.488 58.200 -0.018 0.000 1.002 416 S CB -0.407 62.785 63.200 -0.013 0.000 0.829 416 S HN 0.274 nan 8.310 nan 0.000 0.467 417 V N 2.077 121.964 119.914 -0.045 0.000 2.358 417 V HA -0.125 3.990 4.120 -0.008 0.000 0.246 417 V C 2.171 178.197 176.094 -0.113 0.000 1.047 417 V CA 1.391 63.644 62.300 -0.078 0.000 1.035 417 V CB -0.745 31.052 31.823 -0.044 0.000 0.658 417 V HN 0.428 nan 8.190 nan 0.000 0.452 418 L N -0.143 121.040 121.223 -0.067 0.000 2.046 418 L HA -0.187 4.148 4.340 -0.008 0.000 0.208 418 L C 2.385 179.204 176.870 -0.085 0.000 1.077 418 L CA 1.605 56.407 54.840 -0.063 0.000 0.747 418 L CB -0.778 41.268 42.059 -0.022 0.000 0.896 418 L HN 0.351 nan 8.230 nan 0.000 0.432 419 D N -0.011 120.350 120.400 -0.066 0.000 2.117 419 D HA -0.165 4.470 4.640 -0.008 0.000 0.198 419 D C 2.072 178.317 176.300 -0.092 0.000 0.982 419 D CA 0.914 54.880 54.000 -0.056 0.000 0.828 419 D CB -0.193 40.590 40.800 -0.028 0.000 0.967 419 D HN 0.117 nan 8.370 nan 0.000 0.464 420 L N 0.870 122.018 121.223 -0.124 0.000 2.042 420 L HA -0.112 4.223 4.340 -0.008 0.000 0.210 420 L C 1.923 178.563 176.870 -0.384 0.000 1.076 420 L CA 1.937 56.684 54.840 -0.154 0.000 0.749 420 L CB -0.847 41.132 42.059 -0.133 0.000 0.893 420 L HN 0.128 nan 8.230 nan 0.000 0.432 421 T N -4.285 109.903 114.554 -0.609 0.000 3.145 421 T HA 0.372 4.717 4.350 -0.008 0.000 0.255 421 T C 1.603 175.958 174.700 -0.574 0.000 1.039 421 T CA 0.239 61.607 62.100 -1.220 0.000 0.928 421 T CB -0.115 68.066 68.868 -1.146 0.000 1.029 421 T HN 0.262 nan 8.240 nan 0.000 0.554 422 A N 3.125 125.792 122.820 -0.255 0.000 1.902 422 A HA -0.079 4.236 4.320 -0.008 0.000 0.217 422 A C 1.958 179.546 177.584 0.008 0.000 1.181 422 A CA 1.630 53.624 52.037 -0.072 0.000 0.623 422 A CB -0.585 18.397 19.000 -0.030 0.000 0.818 422 A HN 0.691 nan 8.150 nan 0.000 0.443 423 D N -2.345 118.094 120.400 0.065 0.000 2.358 423 D HA 0.038 4.673 4.640 -0.008 0.000 0.224 423 D C -0.415 176.064 176.300 0.299 0.000 1.123 423 D CA -0.604 53.484 54.000 0.147 0.000 0.833 423 D CB -0.484 40.392 40.800 0.126 0.000 0.946 423 D HN 0.362 nan 8.370 nan 0.000 0.505 424 W N 2.599 123.916 121.300 0.028 0.000 2.303 424 W HA 0.291 4.946 4.660 -0.008 0.000 0.318 424 W C 1.014 177.488 176.519 -0.075 0.000 1.362 424 W CA -1.124 56.238 57.345 0.029 0.000 1.234 424 W CB 0.037 29.519 29.460 0.036 0.000 1.248 424 W HN -0.127 nan 8.180 nan 0.000 0.546 425 T N 1.321 115.955 114.554 0.132 0.000 2.882 425 T HA 0.248 4.593 4.350 -0.008 0.000 0.287 425 T C -1.605 173.062 174.700 -0.054 0.000 1.014 425 T CA -1.640 60.468 62.100 0.014 0.000 1.049 425 T CB 1.741 70.614 68.868 0.009 0.000 1.001 425 T HN 0.077 nan 8.240 nan 0.000 0.525 426 P HA -0.112 nan 4.420 nan 0.000 0.216 426 P C 1.669 178.936 177.300 -0.055 0.000 1.153 426 P CA 1.718 64.751 63.100 -0.112 0.000 0.858 426 P CB -0.328 31.332 31.700 -0.066 0.000 0.789 427 A N -0.299 122.504 122.820 -0.028 0.000 1.933 427 A HA -0.235 4.080 4.320 -0.008 0.000 0.218 427 A C 2.194 179.772 177.584 -0.010 0.000 1.175 427 A CA 1.705 53.735 52.037 -0.012 0.000 0.628 427 A CB -1.179 17.816 19.000 -0.008 0.000 0.814 427 A HN 0.183 nan 8.150 nan 0.000 0.444 428 E N -0.543 119.652 120.200 -0.008 0.000 2.047 428 E HA -0.171 4.174 4.350 -0.008 0.000 0.191 428 E C 2.382 178.967 176.600 -0.026 0.000 0.987 428 E CA 1.048 57.455 56.400 0.011 0.000 0.799 428 E CB -0.153 29.570 29.700 0.040 0.000 0.752 428 E HN 0.528 nan 8.360 nan 0.000 0.449 429 R N 0.609 121.090 120.500 -0.033 0.000 2.083 429 R HA -0.188 4.147 4.340 -0.008 0.000 0.237 429 R C 2.384 178.674 176.300 -0.017 0.000 1.137 429 R CA 1.505 57.588 56.100 -0.029 0.000 0.951 429 R CB -0.253 30.018 30.300 -0.049 0.000 0.851 429 R HN 0.076 nan 8.270 nan 0.000 0.434 430 E N 1.104 121.296 120.200 -0.012 0.000 2.051 430 E HA -0.203 4.143 4.350 -0.008 0.000 0.192 430 E C 1.932 178.543 176.600 0.018 0.000 0.991 430 E CA 1.309 57.716 56.400 0.011 0.000 0.799 430 E CB -0.188 29.519 29.700 0.013 0.000 0.748 430 E HN 0.095 nan 8.360 nan 0.000 0.449 431 M N 0.310 119.915 119.600 0.009 0.000 2.065 431 M HA -0.186 4.289 4.480 -0.008 0.000 0.259 431 M C 2.119 178.423 176.300 0.005 0.000 1.069 431 M CA 1.640 56.948 55.300 0.014 0.000 1.110 431 M CB -0.758 31.850 32.600 0.014 0.000 1.328 431 M HN 0.310 nan 8.290 nan 0.000 0.405 432 L N -0.328 120.874 121.223 -0.034 0.000 2.013 432 L HA -0.276 4.059 4.340 -0.008 0.000 0.212 432 L C 2.880 179.744 176.870 -0.009 0.000 1.073 432 L CA 1.617 56.413 54.840 -0.073 0.000 0.753 432 L CB -0.941 40.996 42.059 -0.203 0.000 0.890 432 L HN 0.394 nan 8.230 nan 0.000 0.432 433 R N 0.787 121.298 120.500 0.018 0.000 2.105 433 R HA -0.180 4.155 4.340 -0.008 0.000 0.239 433 R C 1.731 178.082 176.300 0.085 0.000 1.135 433 R CA 2.168 58.303 56.100 0.058 0.000 0.967 433 R CB -0.551 29.787 30.300 0.063 0.000 0.861 433 R HN 0.554 nan 8.270 nan 0.000 0.442 434 N N -0.406 118.342 118.700 0.080 0.000 2.333 434 N HA -0.047 4.688 4.740 -0.008 0.000 0.178 434 N C 1.502 177.086 175.510 0.123 0.000 1.018 434 N CA 0.719 53.840 53.050 0.118 0.000 0.882 434 N CB 0.187 38.734 38.487 0.100 0.000 0.984 434 N HN 0.193 nan 8.380 nan 0.000 0.434 435 K N 0.284 120.725 120.400 0.068 0.000 2.284 435 K HA 0.121 4.436 4.320 -0.008 0.000 0.198 435 K C 1.753 178.370 176.600 0.029 0.000 1.048 435 K CA 0.176 56.485 56.287 0.037 0.000 0.987 435 K CB 0.280 32.785 32.500 0.008 0.000 0.800 435 K HN -0.053 nan 8.250 nan 0.000 0.486 436 V N 2.175 122.111 119.914 0.037 0.000 2.324 436 V HA -0.187 3.928 4.120 -0.008 0.000 0.250 436 V C -1.119 175.012 176.094 0.063 0.000 1.060 436 V CA 1.908 64.226 62.300 0.030 0.000 1.042 436 V CB -1.004 30.837 31.823 0.030 0.000 0.650 436 V HN 0.169 nan 8.190 nan 0.000 0.450 437 P HA -0.112 nan 4.420 nan 0.000 0.218 437 P C 1.656 179.089 177.300 0.221 0.000 1.146 437 P CA 1.281 64.517 63.100 0.227 0.000 0.813 437 P CB -0.011 31.899 31.700 0.349 0.000 0.778 438 V N -1.066 118.871 119.914 0.038 0.000 2.374 438 V HA -0.078 4.037 4.120 -0.008 0.000 0.241 438 V C 2.082 178.086 176.094 -0.150 0.000 1.034 438 V CA 2.397 64.563 62.300 -0.222 0.000 1.037 438 V CB -1.509 30.110 31.823 -0.339 0.000 0.682 438 V HN 0.208 nan 8.190 nan 0.000 0.463 439 T N -3.252 111.248 114.554 -0.091 0.000 3.044 439 T HA 0.479 4.824 4.350 -0.008 0.000 0.260 439 T C 1.313 175.975 174.700 -0.064 0.000 1.019 439 T CA 0.705 62.755 62.100 -0.084 0.000 0.921 439 T CB 0.713 69.535 68.868 -0.077 0.000 1.053 439 T HN 0.837 nan 8.240 nan 0.000 0.533 440 G N 2.757 111.531 108.800 -0.043 0.000 2.622 440 G HA2 -0.327 3.629 3.960 -0.008 0.000 0.307 440 G HA3 -0.327 3.629 3.960 -0.008 0.000 0.307 440 G C 0.665 175.531 174.900 -0.056 0.000 1.226 440 G CA 0.447 45.521 45.100 -0.043 0.000 0.997 440 G HN 0.492 nan 8.290 nan 0.000 0.551 441 L N 0.815 121.994 121.223 -0.073 0.000 2.478 441 L HA 0.130 4.465 4.340 -0.008 0.000 0.223 441 L C 2.531 179.343 176.870 -0.096 0.000 1.140 441 L CA 1.135 55.923 54.840 -0.087 0.000 0.842 441 L CB -0.283 41.715 42.059 -0.102 0.000 0.953 441 L HN 0.438 nan 8.230 nan 0.000 0.452 442 K N -0.443 119.908 120.400 -0.082 0.000 2.487 442 K HA 0.061 4.376 4.320 -0.008 0.000 0.192 442 K C 0.389 176.958 176.600 -0.051 0.000 1.027 442 K CA 0.007 56.251 56.287 -0.073 0.000 1.054 442 K CB -0.025 32.434 32.500 -0.069 0.000 0.824 442 K HN 0.147 nan 8.250 nan 0.000 0.510 443 T N 4.232 118.758 114.554 -0.047 0.000 2.831 443 T HA 0.034 4.379 4.350 -0.008 0.000 0.291 443 T C -2.452 172.252 174.700 0.007 0.000 0.981 443 T CA -0.907 61.177 62.100 -0.026 0.000 1.174 443 T CB 0.387 69.237 68.868 -0.029 0.000 0.929 443 T HN -0.017 nan 8.240 nan 0.000 0.532 444 P HA 0.241 nan 4.420 nan 0.000 0.266 444 P C -0.859 176.515 177.300 0.123 0.000 1.195 444 P CA -0.200 62.928 63.100 0.047 0.000 0.768 444 P CB 0.250 31.957 31.700 0.012 0.000 0.838 445 F N 4.376 124.286 119.950 -0.067 0.000 2.831 445 F HA 0.363 4.885 4.527 -0.008 0.000 0.346 445 F C 0.640 176.394 175.800 -0.078 0.000 1.224 445 F CA -0.374 57.557 58.000 -0.115 0.000 1.048 445 F CB 0.805 39.704 39.000 -0.168 0.000 1.339 445 F HN 0.398 nan 8.300 nan 0.000 0.514 446 R N 1.713 121.881 120.500 -0.553 0.000 3.988 446 R HA -0.256 4.079 4.340 -0.008 0.000 0.345 446 R C -0.213 175.973 176.300 -0.191 0.000 0.241 446 R CA 1.794 57.626 56.100 -0.448 0.000 1.136 446 R CB -1.035 28.894 30.300 -0.618 0.000 1.014 446 R HN 0.563 nan 8.270 nan 0.000 0.555 447 D N 1.384 121.706 120.400 -0.130 0.000 2.325 447 D HA 0.284 4.920 4.640 -0.008 0.000 0.225 447 D C 0.581 176.872 176.300 -0.015 0.000 1.096 447 D CA 1.201 55.162 54.000 -0.065 0.000 0.844 447 D CB 0.724 41.488 40.800 -0.061 0.000 0.925 447 D HN 0.501 nan 8.370 nan 0.000 0.513 448 G N -0.823 108.002 108.800 0.042 0.000 2.846 448 G HA2 0.596 4.552 3.960 -0.008 0.000 0.299 448 G HA3 0.596 4.552 3.960 -0.008 0.000 0.299 448 G C -1.255 173.780 174.900 0.226 0.000 1.242 448 G CA -0.691 44.518 45.100 0.182 0.000 0.800 448 G HN 0.054 nan 8.290 nan 0.000 0.538 449 L N 0.152 121.571 121.223 0.328 0.000 2.332 449 L HA 0.447 4.782 4.340 -0.008 0.000 0.269 449 L C 1.414 178.312 176.870 0.047 0.000 1.016 449 L CA -0.834 54.047 54.840 0.069 0.000 0.809 449 L CB 1.783 43.766 42.059 -0.127 0.000 1.280 449 L HN 0.453 nan 8.230 nan 0.000 0.447 450 L N 1.353 122.577 121.223 0.002 0.000 2.127 450 L HA -0.181 4.154 4.340 -0.008 0.000 0.211 450 L C 2.486 179.317 176.870 -0.065 0.000 1.089 450 L CA 1.764 56.584 54.840 -0.032 0.000 0.757 450 L CB -0.786 41.224 42.059 -0.082 0.000 0.899 450 L HN 0.703 nan 8.230 nan 0.000 0.434 451 K N -1.143 119.152 120.400 -0.175 0.000 2.107 451 K HA -0.291 4.025 4.320 -0.008 0.000 0.211 451 K C 1.971 178.466 176.600 -0.174 0.000 1.049 451 K CA 2.354 58.501 56.287 -0.235 0.000 0.927 451 K CB -0.296 31.969 32.500 -0.391 0.000 0.714 451 K HN 0.596 nan 8.250 nan 0.000 0.452 452 H N -0.917 118.187 119.070 0.056 0.000 2.389 452 H HA -0.063 4.488 4.556 -0.008 0.000 0.299 452 H C 2.062 177.449 175.328 0.098 0.000 1.081 452 H CA 1.208 57.298 56.048 0.071 0.000 1.345 452 H CB 0.179 29.986 29.762 0.076 0.000 1.393 452 H HN -0.018 nan 8.280 nan 0.000 0.520 453 V N 0.894 120.936 119.914 0.214 0.000 2.358 453 V HA -0.224 3.891 4.120 -0.008 0.000 0.246 453 V C 2.633 178.816 176.094 0.148 0.000 1.047 453 V CA 1.496 63.925 62.300 0.214 0.000 1.035 453 V CB -0.889 31.075 31.823 0.235 0.000 0.658 453 V HN 0.564 nan 8.190 nan 0.000 0.452 454 A N -0.152 122.725 122.820 0.094 0.000 1.940 454 A HA -0.279 4.036 4.320 -0.008 0.000 0.219 454 A C 2.147 179.774 177.584 0.073 0.000 1.176 454 A CA 2.057 54.139 52.037 0.076 0.000 0.631 454 A CB -0.488 18.523 19.000 0.018 0.000 0.814 454 A HN 0.648 nan 8.150 nan 0.000 0.446 455 E N -0.136 120.105 120.200 0.069 0.000 2.058 455 E HA -0.208 4.137 4.350 -0.008 0.000 0.194 455 E C 1.544 178.184 176.600 0.067 0.000 0.997 455 E CA 1.303 57.743 56.400 0.067 0.000 0.801 455 E CB -0.229 29.523 29.700 0.087 0.000 0.746 455 E HN 0.554 nan 8.360 nan 0.000 0.450 456 D N 0.198 120.648 120.400 0.084 0.000 2.117 456 D HA -0.122 4.513 4.640 -0.008 0.000 0.197 456 D C 2.094 178.417 176.300 0.039 0.000 0.987 456 D CA 0.823 54.863 54.000 0.067 0.000 0.829 456 D CB -0.240 40.614 40.800 0.089 0.000 0.961 456 D HN 0.025 nan 8.370 nan 0.000 0.460 457 V N 0.989 120.933 119.914 0.049 0.000 2.427 457 V HA -0.179 3.936 4.120 -0.008 0.000 0.248 457 V C 2.420 178.495 176.094 -0.032 0.000 1.051 457 V CA 0.882 63.182 62.300 0.000 0.000 1.048 457 V CB -0.347 31.507 31.823 0.051 0.000 0.666 457 V HN 0.116 nan 8.190 nan 0.000 0.456 458 L N 0.324 121.573 121.223 0.044 0.000 2.056 458 L HA -0.113 4.222 4.340 -0.008 0.000 0.207 458 L C 2.431 179.306 176.870 0.008 0.000 1.078 458 L CA 1.963 56.834 54.840 0.052 0.000 0.749 458 L CB -0.814 41.291 42.059 0.076 0.000 0.901 458 L HN 0.161 nan 8.230 nan 0.000 0.433 459 K N -0.052 120.355 120.400 0.011 0.000 2.032 459 K HA -0.193 4.122 4.320 -0.008 0.000 0.209 459 K C 2.126 178.719 176.600 -0.012 0.000 1.048 459 K CA 2.120 58.411 56.287 0.006 0.000 0.927 459 K CB -0.574 31.935 32.500 0.015 0.000 0.712 459 K HN 0.432 nan 8.250 nan 0.000 0.441 460 L N 0.523 121.729 121.223 -0.029 0.000 2.042 460 L HA -0.198 4.138 4.340 -0.008 0.000 0.210 460 L C 2.717 179.542 176.870 -0.074 0.000 1.076 460 L CA 1.405 56.217 54.840 -0.047 0.000 0.749 460 L CB -0.587 41.435 42.059 -0.062 0.000 0.893 460 L HN 0.219 nan 8.230 nan 0.000 0.432 461 A N 0.078 122.819 122.820 -0.133 0.000 1.908 461 A HA -0.241 4.074 4.320 -0.008 0.000 0.218 461 A C 2.329 179.879 177.584 -0.057 0.000 1.181 461 A CA 1.860 53.795 52.037 -0.170 0.000 0.627 461 A CB -0.378 18.444 19.000 -0.297 0.000 0.818 461 A HN 0.351 nan 8.150 nan 0.000 0.445 462 K N -0.595 119.793 120.400 -0.020 0.000 2.057 462 K HA -0.140 4.175 4.320 -0.008 0.000 0.206 462 K C 1.619 178.229 176.600 0.016 0.000 1.050 462 K CA 1.334 57.629 56.287 0.013 0.000 0.935 462 K CB -0.331 32.180 32.500 0.018 0.000 0.715 462 K HN 0.368 nan 8.250 nan 0.000 0.439 463 D N 0.449 120.853 120.400 0.006 0.000 2.126 463 D HA -0.162 4.473 4.640 -0.008 0.000 0.190 463 D C 1.964 178.275 176.300 0.019 0.000 1.001 463 D CA 1.645 55.651 54.000 0.010 0.000 0.841 463 D CB -0.617 40.185 40.800 0.003 0.000 0.949 463 D HN 0.380 nan 8.370 nan 0.000 0.446 464 G N 0.332 109.142 108.800 0.018 0.000 2.402 464 G HA2 -0.174 3.781 3.960 -0.008 0.000 0.216 464 G HA3 -0.174 3.781 3.960 -0.008 0.000 0.216 464 G C 1.799 176.740 174.900 0.068 0.000 1.162 464 G CA 0.340 45.466 45.100 0.044 0.000 0.777 464 G HN 0.257 nan 8.290 nan 0.000 0.539 465 L N 0.172 121.435 121.223 0.067 0.000 2.046 465 L HA -0.075 4.260 4.340 -0.008 0.000 0.208 465 L C 2.765 179.686 176.870 0.085 0.000 1.077 465 L CA 1.618 56.518 54.840 0.100 0.000 0.747 465 L CB -0.472 41.651 42.059 0.107 0.000 0.896 465 L HN 0.376 nan 8.230 nan 0.000 0.432 466 E N 0.797 121.031 120.200 0.057 0.000 2.038 466 E HA -0.268 4.078 4.350 -0.008 0.000 0.195 466 E C 2.337 178.949 176.600 0.019 0.000 1.000 466 E CA 1.425 57.850 56.400 0.041 0.000 0.803 466 E CB 0.029 29.746 29.700 0.029 0.000 0.750 466 E HN 0.361 nan 8.360 nan 0.000 0.448 467 R N -0.052 120.456 120.500 0.015 0.000 2.152 467 R HA -0.058 4.277 4.340 -0.008 0.000 0.232 467 R C 2.551 178.826 176.300 -0.042 0.000 1.117 467 R CA 1.224 57.319 56.100 -0.007 0.000 0.981 467 R CB -0.157 30.147 30.300 0.006 0.000 0.870 467 R HN 0.134 nan 8.270 nan 0.000 0.451 468 R N -0.516 119.967 120.500 -0.028 0.000 2.200 468 R HA -0.086 4.249 4.340 -0.008 0.000 0.234 468 R C 1.255 177.332 176.300 -0.372 0.000 1.127 468 R CA 1.004 57.029 56.100 -0.126 0.000 0.989 468 R CB -0.125 30.205 30.300 0.050 0.000 0.869 468 R HN 0.470 nan 8.270 nan 0.000 0.459 469 G N -0.643 108.041 108.800 -0.194 0.000 2.148 469 G HA2 -0.280 3.675 3.960 -0.008 0.000 0.254 469 G HA3 -0.280 3.675 3.960 -0.008 0.000 0.254 469 G C 0.165 174.989 174.900 -0.126 0.000 0.981 469 G CA 0.369 45.360 45.100 -0.181 0.000 0.670 469 G HN 0.379 nan 8.290 nan 0.000 0.528 470 Y N 0.260 120.634 120.300 0.123 0.000 2.485 470 Y HA 0.313 4.858 4.550 -0.008 0.000 0.260 470 Y C 1.422 177.500 175.900 0.296 0.000 1.173 470 Y CA -0.276 57.937 58.100 0.189 0.000 1.252 470 Y CB 0.489 39.069 38.460 0.201 0.000 1.123 470 Y HN 0.271 nan 8.280 nan 0.000 0.524 471 K N -0.146 120.450 120.400 0.327 0.000 3.096 471 K HA -0.273 4.042 4.320 -0.008 0.000 0.266 471 K C 0.006 176.810 176.600 0.341 0.000 1.043 471 K CA 0.851 57.308 56.287 0.284 0.000 0.758 471 K CB -2.383 30.253 32.500 0.227 0.000 1.260 471 K HN 0.572 nan 8.250 nan 0.000 0.481 472 E N -0.027 120.329 120.200 0.261 0.000 2.479 472 E HA 0.044 4.389 4.350 -0.008 0.000 0.193 472 E C 1.536 178.253 176.600 0.195 0.000 1.049 472 E CA 0.378 56.899 56.400 0.202 0.000 0.870 472 E CB 0.327 30.145 29.700 0.197 0.000 0.944 472 E HN 0.210 nan 8.360 nan 0.000 0.492 473 V N 0.713 120.698 119.914 0.119 0.000 2.626 473 V HA -0.130 3.985 4.120 -0.008 0.000 0.252 473 V C 1.999 178.111 176.094 0.031 0.000 1.067 473 V CA 2.116 64.466 62.300 0.084 0.000 1.081 473 V CB -0.427 31.433 31.823 0.061 0.000 0.686 473 V HN 0.412 nan 8.190 nan 0.000 0.468 474 G N -0.887 107.875 108.800 -0.062 0.000 2.479 474 G HA2 -0.255 3.700 3.960 -0.008 0.000 0.220 474 G HA3 -0.255 3.700 3.960 -0.008 0.000 0.220 474 G C 1.260 176.049 174.900 -0.185 0.000 1.115 474 G CA 0.823 45.834 45.100 -0.149 0.000 0.757 474 G HN 0.559 nan 8.290 nan 0.000 0.560 475 F N 0.269 120.244 119.950 0.042 0.000 2.451 475 F HA 0.165 4.688 4.527 -0.008 0.000 0.299 475 F C 2.163 177.982 175.800 0.031 0.000 1.101 475 F CA 0.410 58.431 58.000 0.035 0.000 1.436 475 F CB -0.015 39.003 39.000 0.030 0.000 1.074 475 F HN 0.072 nan 8.300 nan 0.000 0.553 476 L N -0.552 120.767 121.223 0.161 0.000 2.611 476 L HA 0.041 4.376 4.340 -0.008 0.000 0.229 476 L C 1.554 178.442 176.870 0.029 0.000 1.137 476 L CA -0.081 54.823 54.840 0.107 0.000 0.901 476 L CB -0.490 41.635 42.059 0.110 0.000 1.098 476 L HN 0.003 nan 8.230 nan 0.000 0.456 477 N N 1.416 120.117 118.700 0.002 0.000 2.149 477 N HA -0.165 4.570 4.740 -0.008 0.000 0.188 477 N C 1.912 177.386 175.510 -0.060 0.000 1.019 477 N CA 1.501 54.530 53.050 -0.034 0.000 0.857 477 N CB -0.107 38.349 38.487 -0.051 0.000 0.997 477 N HN 0.312 nan 8.380 nan 0.000 0.426 478 A N 0.160 122.938 122.820 -0.070 0.000 2.216 478 A HA -0.004 4.312 4.320 -0.008 0.000 0.214 478 A C 1.797 179.279 177.584 -0.170 0.000 1.160 478 A CA 1.285 53.249 52.037 -0.122 0.000 0.725 478 A CB -0.218 18.704 19.000 -0.131 0.000 0.784 478 A HN 0.231 nan 8.150 nan 0.000 0.472 479 V N -5.655 114.165 119.914 -0.157 0.000 3.432 479 V HA 0.135 4.250 4.120 -0.008 0.000 0.298 479 V C 1.527 177.538 176.094 -0.138 0.000 1.464 479 V CA 1.004 63.169 62.300 -0.226 0.000 1.046 479 V CB -0.576 31.038 31.823 -0.348 0.000 0.887 479 V HN 0.172 nan 8.190 nan 0.000 0.441 480 T N 1.119 115.623 114.554 -0.083 0.000 2.777 480 T HA -0.131 4.214 4.350 -0.008 0.000 0.266 480 T C 1.689 176.353 174.700 -0.060 0.000 1.040 480 T CA 2.390 64.458 62.100 -0.052 0.000 1.141 480 T CB -0.058 68.790 68.868 -0.032 0.000 0.868 480 T HN 0.598 nan 8.240 nan 0.000 0.444 481 E N 0.769 120.925 120.200 -0.073 0.000 2.107 481 E HA -0.046 4.299 4.350 -0.008 0.000 0.191 481 E C 2.101 178.651 176.600 -0.084 0.000 0.982 481 E CA 0.515 56.873 56.400 -0.069 0.000 0.809 481 E CB -0.484 29.176 29.700 -0.067 0.000 0.756 481 E HN 0.222 nan 8.360 nan 0.000 0.459 482 V N -0.242 119.603 119.914 -0.116 0.000 2.255 482 V HA -0.273 3.842 4.120 -0.008 0.000 0.247 482 V C 2.338 178.366 176.094 -0.111 0.000 1.051 482 V CA 1.741 63.962 62.300 -0.133 0.000 1.018 482 V CB -0.526 31.179 31.823 -0.197 0.000 0.641 482 V HN 0.183 nan 8.190 nan 0.000 0.445 483 V N -0.523 119.331 119.914 -0.100 0.000 2.343 483 V HA -0.220 3.896 4.120 -0.008 0.000 0.247 483 V C 2.646 178.709 176.094 -0.052 0.000 1.051 483 V CA 1.898 64.156 62.300 -0.071 0.000 1.036 483 V CB -0.792 31.006 31.823 -0.043 0.000 0.654 483 V HN 0.417 nan 8.190 nan 0.000 0.451 484 R N 0.533 121.007 120.500 -0.043 0.000 2.096 484 R HA -0.180 4.155 4.340 -0.008 0.000 0.240 484 R C 2.427 178.707 176.300 -0.034 0.000 1.139 484 R CA 2.323 58.406 56.100 -0.028 0.000 0.952 484 R CB -0.746 29.538 30.300 -0.027 0.000 0.854 484 R HN 0.727 nan 8.270 nan 0.000 0.436 485 T N -3.985 110.540 114.554 -0.049 0.000 3.067 485 T HA 0.130 4.476 4.350 -0.008 0.000 0.257 485 T C 1.286 175.948 174.700 -0.063 0.000 1.105 485 T CA 0.768 62.838 62.100 -0.050 0.000 1.104 485 T CB 0.400 69.236 68.868 -0.053 0.000 0.925 485 T HN 0.420 nan 8.240 nan 0.000 0.498 486 G N 0.847 109.600 108.800 -0.079 0.000 2.160 486 G HA2 -0.199 3.756 3.960 -0.008 0.000 0.251 486 G HA3 -0.199 3.756 3.960 -0.008 0.000 0.251 486 G C -0.026 174.819 174.900 -0.091 0.000 1.008 486 G CA 0.102 45.145 45.100 -0.096 0.000 0.724 486 G HN 0.771 nan 8.290 nan 0.000 0.514 487 V N 1.830 121.691 119.914 -0.089 0.000 2.357 487 V HA 0.619 4.734 4.120 -0.008 0.000 0.284 487 V C 0.984 177.017 176.094 -0.103 0.000 1.018 487 V CA -0.159 62.088 62.300 -0.089 0.000 0.841 487 V CB 1.266 33.041 31.823 -0.079 0.000 0.991 487 V HN 0.679 nan 8.190 nan 0.000 0.437 488 T N 3.314 117.806 114.554 -0.103 0.000 2.813 488 T HA 0.254 4.599 4.350 -0.008 0.000 0.297 488 T C -1.673 172.962 174.700 -0.108 0.000 1.036 488 T CA -1.421 60.611 62.100 -0.113 0.000 1.044 488 T CB 1.215 70.027 68.868 -0.095 0.000 0.993 488 T HN 0.395 nan 8.240 nan 0.000 0.535 489 P HA -0.080 nan 4.420 nan 0.000 0.216 489 P C 1.745 179.001 177.300 -0.074 0.000 1.153 489 P CA 1.654 64.703 63.100 -0.085 0.000 0.858 489 P CB -0.371 31.284 31.700 -0.076 0.000 0.789 490 A N -0.063 122.707 122.820 -0.084 0.000 1.917 490 A HA -0.282 4.033 4.320 -0.008 0.000 0.219 490 A C 2.172 179.662 177.584 -0.158 0.000 1.182 490 A CA 2.002 53.961 52.037 -0.130 0.000 0.633 490 A CB -1.355 17.570 19.000 -0.126 0.000 0.819 490 A HN 0.202 nan 8.150 nan 0.000 0.448 491 E N -0.309 119.816 120.200 -0.125 0.000 2.077 491 E HA -0.185 4.160 4.350 -0.008 0.000 0.193 491 E C 1.888 178.422 176.600 -0.110 0.000 0.989 491 E CA 1.327 57.656 56.400 -0.118 0.000 0.800 491 E CB -0.261 29.378 29.700 -0.101 0.000 0.746 491 E HN 0.788 nan 8.360 nan 0.000 0.452 492 N N 0.464 119.103 118.700 -0.100 0.000 2.104 492 N HA -0.165 4.570 4.740 -0.008 0.000 0.190 492 N C 1.826 177.259 175.510 -0.128 0.000 1.024 492 N CA 0.846 53.836 53.050 -0.100 0.000 0.853 492 N CB -0.076 38.365 38.487 -0.077 0.000 1.008 492 N HN 0.064 nan 8.380 nan 0.000 0.424 493 L N 0.116 121.283 121.223 -0.092 0.000 2.046 493 L HA -0.160 4.175 4.340 -0.008 0.000 0.208 493 L C 1.986 178.815 176.870 -0.067 0.000 1.077 493 L CA 0.679 55.486 54.840 -0.055 0.000 0.747 493 L CB -0.405 41.723 42.059 0.114 0.000 0.896 493 L HN 0.219 nan 8.230 nan 0.000 0.432 494 L N 0.144 121.319 121.223 -0.079 0.000 2.083 494 L HA -0.212 4.123 4.340 -0.008 0.000 0.209 494 L C 2.549 179.414 176.870 -0.009 0.000 1.083 494 L CA 1.663 56.500 54.840 -0.005 0.000 0.752 494 L CB -0.849 41.149 42.059 -0.102 0.000 0.899 494 L HN 0.327 nan 8.230 nan 0.000 0.433 495 E N -1.068 119.070 120.200 -0.103 0.000 2.077 495 E HA -0.239 4.106 4.350 -0.008 0.000 0.193 495 E C 2.229 178.694 176.600 -0.226 0.000 0.989 495 E CA 1.237 57.562 56.400 -0.125 0.000 0.800 495 E CB -0.032 29.595 29.700 -0.122 0.000 0.746 495 E HN 0.442 nan 8.360 nan 0.000 0.452 496 M N -0.415 118.923 119.600 -0.437 0.000 2.099 496 M HA -0.146 4.329 4.480 -0.008 0.000 0.262 496 M C 2.250 178.016 176.300 -0.890 0.000 1.067 496 M CA 1.470 56.252 55.300 -0.863 0.000 1.124 496 M CB -0.510 31.200 32.600 -1.484 0.000 1.353 496 M HN 0.228 nan 8.290 nan 0.000 0.410 497 Y N 1.738 121.578 120.300 -0.767 0.000 2.102 497 Y HA -0.317 4.228 4.550 -0.008 0.000 0.280 497 Y C 2.120 177.998 175.900 -0.037 0.000 1.178 497 Y CA 1.882 59.913 58.100 -0.115 0.000 1.146 497 Y CB -0.299 38.268 38.460 0.179 0.000 0.968 497 Y HN 0.285 nan 8.280 nan 0.000 0.504 498 N N -0.193 118.537 118.700 0.049 0.000 2.376 498 N HA -0.016 4.719 4.740 -0.008 0.000 0.177 498 N C 1.553 177.019 175.510 -0.073 0.000 1.024 498 N CA 0.964 54.014 53.050 -0.001 0.000 0.893 498 N CB -0.205 38.328 38.487 0.076 0.000 0.980 498 N HN 0.525 nan 8.380 nan 0.000 0.439 499 G N 1.695 110.429 108.800 -0.109 0.000 2.568 499 G HA2 -0.072 3.884 3.960 -0.008 0.000 0.212 499 G HA3 -0.072 3.884 3.960 -0.008 0.000 0.212 499 G C 1.093 175.948 174.900 -0.074 0.000 1.821 499 G CA 0.090 45.136 45.100 -0.091 0.000 0.904 499 G HN 0.227 nan 8.290 nan 0.000 0.566 500 E N -0.138 120.010 120.200 -0.085 0.000 2.204 500 E HA -0.098 4.247 4.350 -0.008 0.000 0.194 500 E C 1.941 178.655 176.600 0.191 0.000 0.989 500 E CA 0.861 57.283 56.400 0.037 0.000 0.824 500 E CB -0.070 29.675 29.700 0.075 0.000 0.756 500 E HN 0.519 nan 8.360 nan 0.000 0.477 501 W N 0.713 121.966 121.300 -0.078 0.000 3.180 501 W HA 0.303 4.958 4.660 -0.008 0.000 0.254 501 W C 1.127 177.528 176.519 -0.197 0.000 1.318 501 W CA 0.502 57.775 57.345 -0.120 0.000 1.608 501 W CB -0.554 28.835 29.460 -0.119 0.000 1.124 501 W HN 0.165 nan 8.180 nan 0.000 0.694 502 G N 1.502 110.301 108.800 -0.003 0.000 2.323 502 G HA2 -0.361 3.594 3.960 -0.008 0.000 0.292 502 G HA3 -0.361 3.594 3.960 -0.008 0.000 0.292 502 G C 0.594 175.353 174.900 -0.235 0.000 1.040 502 G CA 0.422 45.464 45.100 -0.097 0.000 0.942 502 G HN 0.423 nan 8.290 nan 0.000 0.506 503 Q N -2.267 117.236 119.800 -0.494 0.000 2.457 503 Q HA -0.224 4.111 4.340 -0.008 0.000 0.283 503 Q C 0.490 176.009 176.000 -0.801 0.000 1.234 503 Q CA 1.232 56.371 55.803 -1.107 0.000 0.877 503 Q CB -1.787 26.637 28.738 -0.523 0.000 1.250 503 Q HN 1.410 nan 8.270 nan 0.000 0.481 504 S N -0.611 114.801 115.700 -0.480 0.000 2.532 504 S HA 0.552 5.017 4.470 -0.008 0.000 0.301 504 S C 0.778 175.375 174.600 -0.005 0.000 1.083 504 S CA -0.253 57.855 58.200 -0.152 0.000 1.025 504 S CB 2.187 65.300 63.200 -0.144 0.000 1.056 504 S HN 0.520 nan 8.310 nan 0.000 0.494 505 V N 0.939 120.825 119.914 -0.047 0.000 3.541 505 V HA 0.206 4.321 4.120 -0.008 0.000 0.267 505 V C 1.279 177.198 176.094 -0.292 0.000 1.213 505 V CA 0.878 63.021 62.300 -0.262 0.000 1.149 505 V CB -0.739 30.818 31.823 -0.443 0.000 0.822 505 V HN 0.730 nan 8.190 nan 0.000 0.462 506 D N 2.025 122.275 120.400 -0.250 0.000 2.149 506 D HA -0.063 4.573 4.640 -0.008 0.000 0.198 506 D C -0.262 175.863 176.300 -0.292 0.000 0.990 506 D CA 1.824 55.697 54.000 -0.211 0.000 0.839 506 D CB -1.536 39.112 40.800 -0.253 0.000 0.948 506 D HN 0.456 nan 8.370 nan 0.000 0.460 507 P HA -0.073 nan 4.420 nan 0.000 0.225 507 P C 1.653 178.416 177.300 -0.894 0.000 1.148 507 P CA 0.309 62.896 63.100 -0.856 0.000 0.779 507 P CB 0.136 30.977 31.700 -1.433 0.000 0.780 508 V N -1.369 117.932 119.914 -1.021 0.000 2.568 508 V HA -0.226 3.890 4.120 -0.008 0.000 0.253 508 V C 1.674 177.545 176.094 -0.371 0.000 1.072 508 V CA 1.681 63.655 62.300 -0.543 0.000 1.084 508 V CB -1.140 30.509 31.823 -0.291 0.000 0.676 508 V HN -0.005 nan 8.190 nan 0.000 0.469 509 F N -0.200 119.523 119.950 -0.378 0.000 2.407 509 F HA -0.083 4.439 4.527 -0.008 0.000 0.299 509 F C 2.434 178.166 175.800 -0.114 0.000 1.097 509 F CA 1.437 59.207 58.000 -0.383 0.000 1.422 509 F CB -0.082 38.522 39.000 -0.660 0.000 1.067 509 F HN 0.233 nan 8.300 nan 0.000 0.539 510 Q N -0.537 119.281 119.800 0.030 0.000 2.226 510 Q HA -0.118 4.217 4.340 -0.008 0.000 0.199 510 Q C 1.974 178.008 176.000 0.056 0.000 0.945 510 Q CA 0.817 56.659 55.803 0.066 0.000 0.861 510 Q CB -0.140 28.611 28.738 0.022 0.000 0.953 510 Q HN 0.186 nan 8.270 nan 0.000 0.490 511 E N 1.313 121.522 120.200 0.015 0.000 2.058 511 E HA -0.138 4.207 4.350 -0.008 0.000 0.194 511 E C 0.874 177.523 176.600 0.081 0.000 0.997 511 E CA 1.184 57.648 56.400 0.107 0.000 0.801 511 E CB 0.043 29.899 29.700 0.260 0.000 0.746 511 E HN 0.230 nan 8.360 nan 0.000 0.450 512 L N 0.929 122.167 121.223 0.024 0.000 2.984 512 L HA 0.276 4.611 4.340 -0.008 0.000 0.246 512 L C -0.128 176.704 176.870 -0.063 0.000 1.268 512 L CA -0.767 54.055 54.840 -0.030 0.000 1.054 512 L CB 0.259 42.294 42.059 -0.041 0.000 1.393 512 L HN 0.141 nan 8.230 nan 0.000 0.532 513 L N 0.002 121.261 121.223 0.060 0.000 2.367 513 L HA 0.233 4.568 4.340 -0.008 0.000 0.275 513 L C 0.020 176.968 176.870 0.131 0.000 1.129 513 L CA 0.209 55.162 54.840 0.188 0.000 0.839 513 L CB 0.228 42.447 42.059 0.265 0.000 1.133 513 L HN -0.060 nan 8.230 nan 0.000 0.453 514 Y N 0.000 120.476 120.300 0.294 0.000 2.660 514 Y HA 0.000 4.545 4.550 -0.008 0.000 0.201 514 Y CA 0.000 58.246 58.100 0.244 0.000 1.940 514 Y CB 0.000 38.595 38.460 0.225 0.000 1.050 514 Y HN 0.000 nan 8.280 nan 0.000 0.758