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 2pme_1_A DATA FIRST_RESID 63 DATA SEQUENCE DIVDRAKMED TLKRRFFYDQ AFAIYGGVSG LYDFGPVGCA LKNNIIQTWR DATA SEQUENCE QHFIQEEQIL EIDCTMLTPE PVLKTSGHVD KFADFMVKDV KNGECFRADH DATA SEQUENCE LLKAHLQKLM SDKKCSVEKK SEMESVLAQL DNYGQQELAD LFVNYNVKSP DATA SEQUENCE ITGNDLSPPV SFNLMFKTFI GPGGNMPGYL RPETAQGIFL NFKRLLEFNQ DATA SEQUENCE GKLPFAAAQI GNSFRNEISP RSGLIRVREF TMAEIEHFVD PSEKDHPKFQ DATA SEQUENCE NVADLHLYLY SAKAQVSGQS ARKMRLGDAV EQGVINNTVL GYFIGRIYLY DATA SEQUENCE LTKVGISPDK LRFRQHMENX XXXXACDCWD AESKTSYGWI EIVGCADRSC DATA SEQUENCE YDLSCHARXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXKRFQKTLY DATA SEQUENCE VEEVVPNVIE PSFGLGRIMY TVFEHTFHVR EGXXQRTFFS FPAVVAPFKC DATA SEQUENCE SVLPLSQNQE FMPFVKELSE ALTRHGVSHK VDDSSGSIGR RYARTDEIGV DATA SEQUENCE AFGVTIDFDT VNKTPHTATL RDRDSMRQIR AEISELPSIV QDLANGNITW DATA SEQUENCE ADVEARYPLF EG 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 63 D HA 0.000 nan 4.640 nan 0.000 0.175 63 D C 0.000 176.259 176.300 -0.069 0.000 2.045 63 D CA 0.000 53.966 54.000 -0.056 0.000 0.868 63 D CB 0.000 40.770 40.800 -0.050 0.000 0.688 64 I N -0.229 120.289 120.570 -0.088 0.000 2.162 64 I HA 0.576 4.716 4.170 -0.050 0.000 0.238 64 I C 1.420 177.487 176.117 -0.083 0.000 1.076 64 I CA 2.052 63.288 61.300 -0.105 0.000 1.353 64 I CB -0.595 37.328 38.000 -0.128 0.000 1.063 64 I HN 1.456 nan 8.210 nan 0.000 0.408 65 V N -0.616 119.252 119.914 -0.075 0.000 3.225 65 V HA 0.484 4.574 4.120 -0.050 0.000 0.293 65 V C -2.005 174.045 176.094 -0.073 0.000 1.405 65 V CA -0.526 61.740 62.300 -0.058 0.000 1.038 65 V CB 1.942 33.727 31.823 -0.064 0.000 1.123 65 V HN 0.623 nan 8.190 nan 0.000 0.447 66 D N 3.061 123.428 120.400 -0.055 0.000 2.483 66 D HA 0.236 4.846 4.640 -0.050 0.000 0.220 66 D C 1.283 177.469 176.300 -0.189 0.000 1.173 66 D CA 0.063 54.014 54.000 -0.081 0.000 0.964 66 D CB 0.748 41.540 40.800 -0.013 0.000 1.046 66 D HN 0.632 nan 8.370 nan 0.000 0.517 67 R N 2.894 123.293 120.500 -0.169 0.000 2.148 67 R HA -0.033 4.277 4.340 -0.050 0.000 0.227 67 R C 1.560 177.753 176.300 -0.179 0.000 1.103 67 R CA 1.267 57.258 56.100 -0.182 0.000 0.983 67 R CB -0.091 30.152 30.300 -0.094 0.000 0.874 67 R HN 0.230 nan 8.270 nan 0.000 0.451 68 A N 1.656 124.394 122.820 -0.137 0.000 1.877 68 A HA -0.116 4.174 4.320 -0.050 0.000 0.216 68 A C 2.009 179.510 177.584 -0.138 0.000 1.186 68 A CA 1.536 53.510 52.037 -0.104 0.000 0.620 68 A CB -0.381 18.579 19.000 -0.066 0.000 0.822 68 A HN 0.381 nan 8.150 nan 0.000 0.443 69 K N -1.219 119.084 120.400 -0.162 0.000 2.026 69 K HA -0.086 4.203 4.320 -0.050 0.000 0.208 69 K C 2.203 178.563 176.600 -0.399 0.000 1.048 69 K CA 1.535 57.730 56.287 -0.153 0.000 0.929 69 K CB -0.254 32.250 32.500 0.006 0.000 0.713 69 K HN 0.563 nan 8.250 nan 0.000 0.439 70 M N 1.075 120.169 119.600 -0.844 0.000 2.108 70 M HA -0.231 4.219 4.480 -0.050 0.000 0.261 70 M C 1.602 177.608 176.300 -0.490 0.000 1.066 70 M CA 1.784 56.379 55.300 -1.175 0.000 1.107 70 M CB -0.007 31.916 32.600 -1.129 0.000 1.356 70 M HN 0.137 nan 8.290 nan 0.000 0.406 71 E N -0.238 119.783 120.200 -0.299 0.000 2.106 71 E HA -0.228 4.092 4.350 -0.050 0.000 0.192 71 E C 1.530 178.035 176.600 -0.158 0.000 0.984 71 E CA 1.446 57.736 56.400 -0.183 0.000 0.806 71 E CB -0.123 29.529 29.700 -0.080 0.000 0.750 71 E HN 0.560 nan 8.360 nan 0.000 0.458 72 D N -0.130 120.195 120.400 -0.124 0.000 2.144 72 D HA -0.118 4.492 4.640 -0.050 0.000 0.199 72 D C 1.811 178.094 176.300 -0.030 0.000 0.984 72 D CA 1.400 55.363 54.000 -0.063 0.000 0.834 72 D CB 0.117 40.895 40.800 -0.038 0.000 0.955 72 D HN -0.029 nan 8.370 nan 0.000 0.465 73 T N -0.053 114.482 114.554 -0.030 0.000 2.737 73 T HA -0.068 4.252 4.350 -0.050 0.000 0.265 73 T C 2.037 176.797 174.700 0.101 0.000 1.038 73 T CA 0.761 62.907 62.100 0.077 0.000 1.144 73 T CB -0.328 68.633 68.868 0.155 0.000 0.866 73 T HN 0.139 nan 8.240 nan 0.000 0.434 74 L N 0.765 121.938 121.223 -0.083 0.000 2.127 74 L HA -0.137 4.173 4.340 -0.050 0.000 0.211 74 L C 2.635 179.476 176.870 -0.048 0.000 1.089 74 L CA 1.394 56.110 54.840 -0.206 0.000 0.757 74 L CB -0.415 41.278 42.059 -0.609 0.000 0.899 74 L HN 0.219 nan 8.230 nan 0.000 0.434 75 K N 0.195 120.548 120.400 -0.080 0.000 2.098 75 K HA -0.132 4.158 4.320 -0.050 0.000 0.203 75 K C 2.348 178.992 176.600 0.073 0.000 1.051 75 K CA 0.677 56.950 56.287 -0.023 0.000 0.957 75 K CB 0.103 32.567 32.500 -0.060 0.000 0.738 75 K HN 0.060 nan 8.250 nan 0.000 0.447 76 R N 0.045 120.589 120.500 0.074 0.000 2.115 76 R HA 0.011 4.321 4.340 -0.050 0.000 0.230 76 R C 1.595 177.975 176.300 0.134 0.000 1.111 76 R CA 1.040 57.188 56.100 0.081 0.000 0.976 76 R CB 0.204 30.547 30.300 0.071 0.000 0.870 76 R HN -0.014 nan 8.270 nan 0.000 0.445 77 R N -0.383 120.246 120.500 0.215 0.000 2.317 77 R HA 0.057 4.367 4.340 -0.050 0.000 0.208 77 R C -0.124 176.307 176.300 0.218 0.000 0.914 77 R CA -0.137 56.095 56.100 0.221 0.000 1.060 77 R CB -0.677 29.807 30.300 0.308 0.000 1.015 77 R HN 0.329 nan 8.270 nan 0.000 0.498 78 F N 0.255 120.234 119.950 0.048 0.000 2.905 78 F HA -0.345 4.154 4.527 -0.046 0.000 0.291 78 F C -0.118 175.676 175.800 -0.009 0.000 1.002 78 F CA -0.583 57.418 58.000 0.002 0.000 0.978 78 F CB -1.151 37.841 39.000 -0.014 0.000 1.036 78 F HN 0.020 nan 8.300 nan 0.000 0.820 79 F N 0.792 120.701 119.950 -0.067 0.000 2.098 79 F HA -0.020 4.475 4.527 -0.053 0.000 0.294 79 F C 1.090 176.850 175.800 -0.067 0.000 1.107 79 F CA 2.071 60.031 58.000 -0.067 0.000 1.234 79 F CB -0.136 38.805 39.000 -0.098 0.000 1.002 79 F HN 0.287 nan 8.300 nan 0.000 0.472 80 Y N -2.216 118.063 120.300 -0.035 0.000 2.552 80 Y HA 0.639 5.160 4.550 -0.048 0.000 0.337 80 Y C -1.691 174.225 175.900 0.026 0.000 1.094 80 Y CA -1.930 56.004 58.100 -0.278 0.000 1.028 80 Y CB 1.188 39.166 38.460 -0.804 0.000 1.321 80 Y HN -0.179 nan 8.280 nan 0.000 0.456 81 D N 0.690 121.239 120.400 0.247 0.000 2.596 81 D HA 0.177 4.787 4.640 -0.050 0.000 0.262 81 D C -1.557 174.955 176.300 0.353 0.000 1.210 81 D CA -0.692 53.477 54.000 0.282 0.000 0.873 81 D CB 2.460 43.424 40.800 0.273 0.000 1.408 81 D HN 0.799 nan 8.370 nan 0.000 0.441 82 Q N 0.808 120.735 119.800 0.212 0.000 2.274 82 Q HA 0.413 4.723 4.340 -0.050 0.000 0.280 82 Q C -0.659 175.310 176.000 -0.053 0.000 1.047 82 Q CA -0.355 55.425 55.803 -0.039 0.000 0.907 82 Q CB 0.544 29.263 28.738 -0.032 0.000 1.171 82 Q HN 0.451 nan 8.270 nan 0.000 0.381 83 A N 4.124 126.854 122.820 -0.151 0.000 2.445 83 A HA 0.222 4.512 4.320 -0.050 0.000 0.242 83 A C -0.282 177.238 177.584 -0.108 0.000 1.075 83 A CA -0.128 51.748 52.037 -0.269 0.000 0.777 83 A CB -0.274 18.481 19.000 -0.407 0.000 1.013 83 A HN 0.974 nan 8.150 nan 0.000 0.493 84 F N -0.732 119.244 119.950 0.043 0.000 3.039 84 F HA -0.300 4.194 4.527 -0.054 0.000 0.287 84 F C 1.606 177.470 175.800 0.107 0.000 0.956 84 F CA 0.439 58.487 58.000 0.080 0.000 0.971 84 F CB -1.915 37.102 39.000 0.029 0.000 0.943 84 F HN 0.754 nan 8.300 nan 0.000 0.766 85 A N 0.970 123.881 122.820 0.152 0.000 1.933 85 A HA -0.128 4.162 4.320 -0.050 0.000 0.218 85 A C 2.047 179.693 177.584 0.105 0.000 1.175 85 A CA 1.732 53.827 52.037 0.098 0.000 0.628 85 A CB -0.575 18.441 19.000 0.026 0.000 0.814 85 A HN 0.833 nan 8.150 nan 0.000 0.444 86 I N -5.445 115.201 120.570 0.126 0.000 3.291 86 I HA 0.010 4.150 4.170 -0.050 0.000 0.279 86 I C 1.331 177.424 176.117 -0.040 0.000 1.294 86 I CA 1.026 62.347 61.300 0.035 0.000 1.428 86 I CB -0.245 37.760 38.000 0.008 0.000 1.070 86 I HN 0.232 nan 8.210 nan 0.000 0.478 87 Y N 1.620 121.967 120.300 0.079 0.000 2.555 87 Y HA 0.449 4.970 4.550 -0.047 0.000 0.259 87 Y C 1.774 177.698 175.900 0.040 0.000 1.179 87 Y CA 0.383 58.517 58.100 0.057 0.000 1.230 87 Y CB 1.078 39.578 38.460 0.066 0.000 1.146 87 Y HN 0.372 nan 8.280 nan 0.000 0.526 88 G N -0.660 108.224 108.800 0.140 0.000 2.254 88 G HA2 -0.028 3.902 3.960 -0.050 0.000 0.225 88 G HA3 -0.028 3.902 3.960 -0.050 0.000 0.225 88 G C 0.543 175.501 174.900 0.096 0.000 1.003 88 G CA -0.192 44.961 45.100 0.090 0.000 0.622 88 G HN 1.068 nan 8.290 nan 0.000 0.507 89 G N -1.622 107.268 108.800 0.151 0.000 2.879 89 G HA2 0.302 4.232 3.960 -0.050 0.000 0.686 89 G HA3 0.302 4.232 3.960 -0.050 0.000 0.686 89 G C -0.442 174.520 174.900 0.104 0.000 1.115 89 G CA 0.019 45.199 45.100 0.134 0.000 0.770 89 G HN 1.522 nan 8.290 nan 0.000 0.601 90 V N 2.371 122.365 119.914 0.133 0.000 2.435 90 V HA 0.621 4.710 4.120 -0.050 0.000 0.290 90 V C 0.928 177.026 176.094 0.007 0.000 1.030 90 V CA -0.354 61.995 62.300 0.082 0.000 0.881 90 V CB 1.793 33.693 31.823 0.128 0.000 0.983 90 V HN 1.026 nan 8.190 nan 0.000 0.445 91 S N 3.104 118.808 115.700 0.007 0.000 2.549 91 S HA 0.472 4.912 4.470 -0.050 0.000 0.279 91 S C 1.233 175.846 174.600 0.021 0.000 1.321 91 S CA 0.529 58.723 58.200 -0.010 0.000 1.054 91 S CB 0.900 64.111 63.200 0.019 0.000 0.899 91 S HN 1.576 nan 8.310 nan 0.000 0.497 92 G N 1.827 110.631 108.800 0.006 0.000 2.176 92 G HA2 -0.206 3.724 3.960 -0.050 0.000 0.253 92 G HA3 -0.206 3.724 3.960 -0.050 0.000 0.253 92 G C -0.176 174.798 174.900 0.123 0.000 0.979 92 G CA -0.190 44.981 45.100 0.119 0.000 0.641 92 G HN 0.574 nan 8.290 nan 0.000 0.530 93 L N -0.333 120.851 121.223 -0.064 0.000 2.362 93 L HA 0.775 5.084 4.340 -0.050 0.000 0.275 93 L C -0.519 176.175 176.870 -0.293 0.000 0.998 93 L CA -1.244 53.591 54.840 -0.008 0.000 0.820 93 L CB 1.697 43.829 42.059 0.122 0.000 1.270 93 L HN 0.089 nan 8.230 nan 0.000 0.415 94 Y N 0.172 120.510 120.300 0.065 0.000 2.524 94 Y HA 0.385 4.901 4.550 -0.057 0.000 0.347 94 Y C -0.685 175.198 175.900 -0.028 0.000 1.005 94 Y CA -0.989 57.109 58.100 -0.003 0.000 1.025 94 Y CB 2.255 40.671 38.460 -0.074 0.000 1.275 94 Y HN 0.438 nan 8.280 nan 0.000 0.460 95 D N 2.195 122.667 120.400 0.120 0.000 2.303 95 D HA 0.299 4.909 4.640 -0.050 0.000 0.236 95 D C -1.119 175.190 176.300 0.014 0.000 1.068 95 D CA -0.268 53.794 54.000 0.104 0.000 0.830 95 D CB 0.819 41.689 40.800 0.116 0.000 1.109 95 D HN 0.186 nan 8.370 nan 0.000 0.496 96 F N 1.130 121.093 119.950 0.022 0.000 2.420 96 F HA 0.427 4.929 4.527 -0.041 0.000 0.352 96 F C 1.519 177.080 175.800 -0.398 0.000 1.108 96 F CA -0.284 57.658 58.000 -0.098 0.000 1.162 96 F CB 1.123 40.105 39.000 -0.030 0.000 1.118 96 F HN 0.215 nan 8.300 nan 0.000 0.510 97 G N 3.398 111.745 108.800 -0.754 0.000 2.557 97 G HA2 0.316 4.246 3.960 -0.050 0.000 0.292 97 G HA3 0.316 4.246 3.960 -0.050 0.000 0.292 97 G C -1.939 172.713 174.900 -0.414 0.000 1.237 97 G CA -1.371 43.025 45.100 -1.172 0.000 0.978 97 G HN 0.378 nan 8.290 nan 0.000 0.498 98 P HA -0.160 nan 4.420 nan 0.000 0.217 98 P C 2.036 179.263 177.300 -0.121 0.000 1.158 98 P CA 1.148 64.188 63.100 -0.099 0.000 0.887 98 P CB 0.047 31.733 31.700 -0.023 0.000 0.792 99 V N -0.488 119.293 119.914 -0.221 0.000 2.323 99 V HA -0.121 3.969 4.120 -0.050 0.000 0.244 99 V C 2.640 178.579 176.094 -0.259 0.000 1.041 99 V CA 2.393 64.499 62.300 -0.323 0.000 1.025 99 V CB -1.978 29.417 31.823 -0.713 0.000 0.656 99 V HN 0.163 nan 8.190 nan 0.000 0.451 100 G N -1.119 107.574 108.800 -0.178 0.000 2.440 100 G HA2 -0.285 3.645 3.960 -0.050 0.000 0.218 100 G HA3 -0.285 3.645 3.960 -0.050 0.000 0.218 100 G C 1.754 176.715 174.900 0.102 0.000 1.154 100 G CA 1.388 46.613 45.100 0.208 0.000 0.767 100 G HN 0.512 nan 8.290 nan 0.000 0.552 101 C N 0.697 119.999 119.300 0.003 0.000 2.429 101 C HA 0.163 4.593 4.460 -0.050 0.000 0.277 101 C C 3.538 178.490 174.990 -0.062 0.000 1.262 101 C CA 0.927 59.914 59.018 -0.052 0.000 1.733 101 C CB -0.931 26.781 27.740 -0.046 0.000 2.010 101 C HN 0.585 nan 8.230 nan 0.000 0.483 102 A N -0.091 122.702 122.820 -0.045 0.000 1.858 102 A HA -0.184 4.106 4.320 -0.050 0.000 0.216 102 A C 2.135 179.685 177.584 -0.058 0.000 1.190 102 A CA 1.756 53.778 52.037 -0.026 0.000 0.617 102 A CB -0.826 18.188 19.000 0.022 0.000 0.827 102 A HN 0.587 nan 8.150 nan 0.000 0.443 103 L N -0.512 120.662 121.223 -0.082 0.000 2.042 103 L HA -0.241 4.069 4.340 -0.050 0.000 0.210 103 L C 2.606 179.384 176.870 -0.154 0.000 1.076 103 L CA 2.368 57.117 54.840 -0.152 0.000 0.749 103 L CB -0.248 41.733 42.059 -0.129 0.000 0.893 103 L HN 0.538 nan 8.230 nan 0.000 0.432 104 K N -0.121 120.195 120.400 -0.140 0.000 2.001 104 K HA -0.205 4.084 4.320 -0.050 0.000 0.208 104 K C 1.761 178.274 176.600 -0.145 0.000 1.048 104 K CA 2.152 58.319 56.287 -0.200 0.000 0.932 104 K CB -0.186 32.121 32.500 -0.322 0.000 0.715 104 K HN 0.430 nan 8.250 nan 0.000 0.437 105 N N 0.597 119.231 118.700 -0.109 0.000 2.061 105 N HA -0.181 4.529 4.740 -0.050 0.000 0.193 105 N C 1.583 177.073 175.510 -0.033 0.000 1.030 105 N CA 1.524 54.535 53.050 -0.065 0.000 0.856 105 N CB -0.176 38.285 38.487 -0.044 0.000 1.023 105 N HN 0.221 nan 8.380 nan 0.000 0.424 106 N N 1.183 119.860 118.700 -0.040 0.000 2.043 106 N HA -0.113 4.597 4.740 -0.050 0.000 0.193 106 N C 1.686 177.195 175.510 -0.002 0.000 1.037 106 N CA 0.869 53.906 53.050 -0.021 0.000 0.851 106 N CB -0.445 38.011 38.487 -0.053 0.000 1.027 106 N HN 0.215 nan 8.380 nan 0.000 0.422 107 I N 1.357 121.902 120.570 -0.041 0.000 2.113 107 I HA -0.276 3.864 4.170 -0.050 0.000 0.242 107 I C 2.156 178.357 176.117 0.139 0.000 1.064 107 I CA 1.270 62.577 61.300 0.012 0.000 1.320 107 I CB -0.832 37.128 38.000 -0.066 0.000 1.028 107 I HN 0.125 nan 8.210 nan 0.000 0.406 108 I N 0.043 120.644 120.570 0.053 0.000 2.252 108 I HA -0.295 3.845 4.170 -0.050 0.000 0.245 108 I C 2.650 178.870 176.117 0.170 0.000 1.102 108 I CA 1.138 62.481 61.300 0.072 0.000 1.385 108 I CB -0.409 37.569 38.000 -0.037 0.000 1.064 108 I HN 0.250 nan 8.210 nan 0.000 0.414 109 Q N 0.935 120.804 119.800 0.116 0.000 2.119 109 Q HA -0.149 4.161 4.340 -0.050 0.000 0.201 109 Q C 2.118 178.211 176.000 0.155 0.000 0.972 109 Q CA 2.164 58.038 55.803 0.118 0.000 0.847 109 Q CB -0.443 28.338 28.738 0.072 0.000 0.903 109 Q HN 0.401 nan 8.270 nan 0.000 0.433 110 T N -0.541 114.121 114.554 0.179 0.000 2.720 110 T HA -0.189 4.130 4.350 -0.050 0.000 0.268 110 T C 1.050 175.938 174.700 0.314 0.000 1.037 110 T CA 1.348 63.577 62.100 0.215 0.000 1.144 110 T CB -0.590 68.398 68.868 0.200 0.000 0.864 110 T HN 0.518 nan 8.240 nan 0.000 0.444 111 W N 2.313 123.719 121.300 0.177 0.000 2.354 111 W HA -0.091 4.551 4.660 -0.030 0.000 0.315 111 W C 2.529 179.057 176.519 0.016 0.000 1.206 111 W CA 1.041 58.351 57.345 -0.058 0.000 1.290 111 W CB -0.243 29.061 29.460 -0.260 0.000 1.152 111 W HN 0.011 nan 8.180 nan 0.000 0.489 112 R N -0.334 120.344 120.500 0.298 0.000 2.136 112 R HA -0.292 4.018 4.340 -0.050 0.000 0.242 112 R C 2.257 178.548 176.300 -0.015 0.000 1.131 112 R CA 2.132 58.319 56.100 0.147 0.000 0.937 112 R CB -1.123 29.274 30.300 0.161 0.000 0.863 112 R HN 0.290 nan 8.270 nan 0.000 0.435 113 Q N -0.338 119.475 119.800 0.021 0.000 2.045 113 Q HA -0.226 4.084 4.340 -0.050 0.000 0.206 113 Q C 2.068 178.006 176.000 -0.104 0.000 0.991 113 Q CA 1.817 57.613 55.803 -0.011 0.000 0.851 113 Q CB -0.496 28.265 28.738 0.038 0.000 0.911 113 Q HN 0.488 nan 8.270 nan 0.000 0.418 114 H N -1.100 117.786 119.070 -0.307 0.000 2.387 114 H HA -0.081 4.444 4.556 -0.052 0.000 0.299 114 H C 1.319 176.150 175.328 -0.828 0.000 1.090 114 H CA 1.831 57.531 56.048 -0.579 0.000 1.332 114 H CB 0.020 29.336 29.762 -0.743 0.000 1.386 114 H HN 0.150 nan 8.280 nan 0.000 0.516 115 F N -1.634 118.007 119.950 -0.514 0.000 2.536 115 F HA 0.163 4.660 4.527 -0.050 0.000 0.278 115 F C 2.276 177.889 175.800 -0.313 0.000 0.945 115 F CA 0.050 57.736 58.000 -0.523 0.000 1.244 115 F CB -0.204 38.214 39.000 -0.970 0.000 1.118 115 F HN -0.045 nan 8.300 nan 0.000 0.725 116 I N 0.413 120.889 120.570 -0.156 0.000 2.163 116 I HA -0.286 3.854 4.170 -0.050 0.000 0.243 116 I C 2.347 178.468 176.117 0.006 0.000 1.085 116 I CA 1.367 62.652 61.300 -0.025 0.000 1.347 116 I CB -0.501 37.507 38.000 0.013 0.000 1.044 116 I HN 0.261 nan 8.210 nan 0.000 0.408 117 Q N 0.195 119.978 119.800 -0.029 0.000 2.083 117 Q HA -0.217 4.093 4.340 -0.050 0.000 0.198 117 Q C 2.084 178.074 176.000 -0.018 0.000 0.969 117 Q CA 1.268 57.065 55.803 -0.010 0.000 0.838 117 Q CB -0.304 28.424 28.738 -0.017 0.000 0.900 117 Q HN 0.427 nan 8.270 nan 0.000 0.436 118 E N 1.215 121.373 120.200 -0.069 0.000 2.150 118 E HA -0.165 4.154 4.350 -0.050 0.000 0.193 118 E C 0.822 177.428 176.600 0.010 0.000 0.985 118 E CA 1.053 57.410 56.400 -0.072 0.000 0.814 118 E CB 0.213 29.791 29.700 -0.204 0.000 0.752 118 E HN 0.113 nan 8.360 nan 0.000 0.466 119 E N -0.277 119.958 120.200 0.059 0.000 2.538 119 E HA 0.137 4.457 4.350 -0.050 0.000 0.207 119 E C -0.633 176.059 176.600 0.153 0.000 1.002 119 E CA -0.036 56.455 56.400 0.151 0.000 0.952 119 E CB 0.484 30.346 29.700 0.270 0.000 1.031 119 E HN 0.052 nan 8.360 nan 0.000 0.476 120 Q N -0.019 119.846 119.800 0.108 0.000 2.452 120 Q HA -0.222 4.088 4.340 -0.050 0.000 0.318 120 Q C -0.357 175.735 176.000 0.155 0.000 1.386 120 Q CA 0.763 56.635 55.803 0.114 0.000 0.872 120 Q CB -2.207 26.592 28.738 0.102 0.000 1.151 120 Q HN 0.445 nan 8.270 nan 0.000 0.417 121 I N 0.391 121.053 120.570 0.154 0.000 2.581 121 I HA 0.112 4.251 4.170 -0.050 0.000 0.288 121 I C 1.123 177.334 176.117 0.157 0.000 1.047 121 I CA -0.555 60.853 61.300 0.180 0.000 1.374 121 I CB 0.581 38.681 38.000 0.167 0.000 1.423 121 I HN 0.114 nan 8.210 nan 0.000 0.549 122 L N 5.497 126.825 121.223 0.175 0.000 2.282 122 L HA 0.293 4.603 4.340 -0.050 0.000 0.287 122 L C 0.470 177.375 176.870 0.058 0.000 1.075 122 L CA -0.158 54.743 54.840 0.102 0.000 0.839 122 L CB 0.178 42.297 42.059 0.100 0.000 1.219 122 L HN 0.630 nan 8.230 nan 0.000 0.434 123 E N 3.747 123.966 120.200 0.031 0.000 2.383 123 E HA 0.404 4.724 4.350 -0.050 0.000 0.264 123 E C -1.023 175.561 176.600 -0.026 0.000 1.050 123 E CA -0.224 56.194 56.400 0.029 0.000 0.896 123 E CB 1.573 31.298 29.700 0.042 0.000 0.982 123 E HN 0.490 nan 8.360 nan 0.000 0.424 124 I N 2.392 122.954 120.570 -0.014 0.000 2.894 124 I HA 0.219 4.359 4.170 -0.050 0.000 0.302 124 I C -1.724 174.375 176.117 -0.030 0.000 1.188 124 I CA -0.644 60.632 61.300 -0.039 0.000 1.014 124 I CB 2.204 40.182 38.000 -0.035 0.000 1.242 124 I HN 0.448 nan 8.210 nan 0.000 0.430 125 D N 5.979 126.356 120.400 -0.037 0.000 2.408 125 D HA 0.378 4.987 4.640 -0.050 0.000 0.261 125 D C -0.855 175.426 176.300 -0.032 0.000 1.190 125 D CA -0.029 53.952 54.000 -0.033 0.000 0.910 125 D CB 0.817 41.600 40.800 -0.029 0.000 1.097 125 D HN 0.431 nan 8.370 nan 0.000 0.522 126 C N 0.919 120.200 119.300 -0.032 0.000 2.411 126 C HA 0.712 5.142 4.460 -0.050 0.000 0.358 126 C C 1.014 175.991 174.990 -0.022 0.000 1.349 126 C CA -0.639 58.362 59.018 -0.028 0.000 2.326 126 C CB 0.933 28.655 27.740 -0.030 0.000 2.166 126 C HN 0.679 nan 8.230 nan 0.000 0.609 127 T N -0.887 113.657 114.554 -0.017 0.000 2.899 127 T HA 0.378 4.698 4.350 -0.050 0.000 0.284 127 T C 0.599 175.299 174.700 -0.001 0.000 1.004 127 T CA -0.473 61.620 62.100 -0.011 0.000 1.043 127 T CB 0.593 69.453 68.868 -0.014 0.000 1.013 127 T HN 0.581 nan 8.240 nan 0.000 0.518 128 M N 0.254 119.863 119.600 0.014 0.000 2.394 128 M HA 0.188 4.637 4.480 -0.050 0.000 0.266 128 M C 0.015 176.316 176.300 0.002 0.000 1.098 128 M CA 0.232 55.560 55.300 0.046 0.000 1.149 128 M CB -0.185 32.492 32.600 0.129 0.000 1.369 128 M HN 0.317 nan 8.290 nan 0.000 0.450 129 L N 2.803 124.008 121.223 -0.029 0.000 2.456 129 L HA 0.113 4.423 4.340 -0.050 0.000 0.277 129 L C 0.522 177.377 176.870 -0.024 0.000 1.124 129 L CA 0.585 55.397 54.840 -0.046 0.000 0.880 129 L CB -0.297 41.729 42.059 -0.055 0.000 1.192 129 L HN 0.223 nan 8.230 nan 0.000 0.463 130 T N 3.335 117.882 114.554 -0.011 0.000 2.861 130 T HA 0.704 5.024 4.350 -0.050 0.000 0.287 130 T C -2.715 171.992 174.700 0.013 0.000 1.003 130 T CA -2.077 60.028 62.100 0.008 0.000 0.977 130 T CB 2.179 71.061 68.868 0.023 0.000 0.996 130 T HN 0.251 nan 8.240 nan 0.000 0.448 131 P HA 0.184 nan 4.420 nan 0.000 0.272 131 P C 0.675 178.009 177.300 0.057 0.000 1.230 131 P CA -0.255 62.839 63.100 -0.010 0.000 0.788 131 P CB 1.102 32.800 31.700 -0.004 0.000 0.949 132 E N 2.073 122.295 120.200 0.036 0.000 2.110 132 E HA -0.153 4.167 4.350 -0.050 0.000 0.193 132 E C -0.898 175.778 176.600 0.127 0.000 0.988 132 E CA 1.613 58.115 56.400 0.170 0.000 0.804 132 E CB -1.424 28.331 29.700 0.092 0.000 0.745 132 E HN 0.329 nan 8.360 nan 0.000 0.458 133 P HA -0.179 nan 4.420 nan 0.000 0.216 133 P C 1.475 178.821 177.300 0.076 0.000 1.153 133 P CA 1.235 64.371 63.100 0.060 0.000 0.858 133 P CB 0.001 31.728 31.700 0.046 0.000 0.789 134 V N -0.427 119.545 119.914 0.096 0.000 2.255 134 V HA -0.222 3.868 4.120 -0.050 0.000 0.247 134 V C 2.369 178.545 176.094 0.136 0.000 1.051 134 V CA 1.717 64.104 62.300 0.145 0.000 1.018 134 V CB -1.326 30.568 31.823 0.119 0.000 0.641 134 V HN 0.081 nan 8.190 nan 0.000 0.445 135 L N -0.436 120.842 121.223 0.092 0.000 2.551 135 L HA -0.079 4.231 4.340 -0.050 0.000 0.228 135 L C 2.363 179.258 176.870 0.042 0.000 1.153 135 L CA 1.020 55.879 54.840 0.032 0.000 0.851 135 L CB -0.409 41.623 42.059 -0.044 0.000 0.959 135 L HN 0.343 nan 8.230 nan 0.000 0.451 136 K N -0.225 120.205 120.400 0.049 0.000 2.128 136 K HA -0.048 4.242 4.320 -0.050 0.000 0.202 136 K C 1.912 178.507 176.600 -0.008 0.000 1.050 136 K CA 0.976 57.278 56.287 0.025 0.000 0.966 136 K CB 0.186 32.706 32.500 0.033 0.000 0.759 136 K HN 0.037 nan 8.250 nan 0.000 0.454 137 T N 0.268 114.801 114.554 -0.034 0.000 2.897 137 T HA -0.110 4.210 4.350 -0.050 0.000 0.271 137 T C 1.778 176.369 174.700 -0.182 0.000 1.084 137 T CA 1.316 63.329 62.100 -0.144 0.000 1.123 137 T CB -0.128 68.593 68.868 -0.244 0.000 0.865 137 T HN 0.149 nan 8.240 nan 0.000 0.496 138 S N -0.472 115.204 115.700 -0.039 0.000 2.336 138 S HA 0.283 4.723 4.470 -0.050 0.000 0.216 138 S C 1.827 176.479 174.600 0.087 0.000 1.032 138 S CA 1.268 59.522 58.200 0.090 0.000 0.973 138 S CB -0.165 63.188 63.200 0.255 0.000 0.888 138 S HN 0.719 nan 8.310 nan 0.000 0.455 139 G N -0.855 107.987 108.800 0.070 0.000 2.234 139 G HA2 -0.109 3.821 3.960 -0.050 0.000 0.153 139 G HA3 -0.109 3.821 3.960 -0.050 0.000 0.153 139 G C 0.246 175.102 174.900 -0.074 0.000 1.013 139 G CA 0.203 45.283 45.100 -0.034 0.000 0.712 139 G HN 0.528 nan 8.290 nan 0.000 0.491 140 H N -0.077 118.940 119.070 -0.088 0.000 2.551 140 H HA 0.317 4.845 4.556 -0.046 0.000 0.266 140 H C 1.326 176.574 175.328 -0.133 0.000 0.977 140 H CA 1.051 57.030 56.048 -0.115 0.000 1.163 140 H CB 0.537 30.134 29.762 -0.276 0.000 1.381 140 H HN 0.251 nan 8.280 nan 0.000 0.581 141 V N 1.856 121.728 119.914 -0.069 0.000 2.276 141 V HA 0.056 4.146 4.120 -0.050 0.000 0.249 141 V C 0.082 176.135 176.094 -0.069 0.000 1.160 141 V CA -0.096 62.138 62.300 -0.111 0.000 1.042 141 V CB -0.022 31.756 31.823 -0.076 0.000 1.224 141 V HN 0.481 nan 8.190 nan 0.000 0.496 142 D N 2.853 123.207 120.400 -0.078 0.000 3.051 142 D HA -0.150 4.460 4.640 -0.050 0.000 0.218 142 D C 0.975 177.222 176.300 -0.088 0.000 1.129 142 D CA 1.042 54.986 54.000 -0.094 0.000 0.868 142 D CB -0.592 40.162 40.800 -0.077 0.000 1.100 142 D HN 0.683 nan 8.370 nan 0.000 0.429 143 K N -0.770 119.580 120.400 -0.082 0.000 2.438 143 K HA 0.176 4.466 4.320 -0.050 0.000 0.206 143 K C 0.577 177.130 176.600 -0.078 0.000 1.081 143 K CA -0.187 56.043 56.287 -0.094 0.000 1.053 143 K CB 0.917 33.355 32.500 -0.102 0.000 0.908 143 K HN 0.160 nan 8.250 nan 0.000 0.556 144 F N 1.416 121.219 119.950 -0.244 0.000 2.761 144 F HA 0.447 4.944 4.527 -0.051 0.000 0.367 144 F C -0.740 174.950 175.800 -0.183 0.000 1.386 144 F CA -0.756 57.121 58.000 -0.205 0.000 1.177 144 F CB 0.393 39.280 39.000 -0.188 0.000 1.092 144 F HN -0.190 nan 8.300 nan 0.000 0.517 145 A N 0.541 123.161 122.820 -0.335 0.000 2.386 145 A HA 0.730 5.020 4.320 -0.050 0.000 0.308 145 A C -1.133 176.205 177.584 -0.410 0.000 1.128 145 A CA -0.597 51.207 52.037 -0.388 0.000 0.789 145 A CB 1.226 20.037 19.000 -0.316 0.000 1.325 145 A HN 0.306 nan 8.150 nan 0.000 0.437 146 D N -0.685 119.531 120.400 -0.307 0.000 2.414 146 D HA 0.586 5.196 4.640 -0.050 0.000 0.241 146 D C -1.271 174.892 176.300 -0.228 0.000 1.008 146 D CA 0.051 53.909 54.000 -0.236 0.000 1.001 146 D CB 1.189 41.956 40.800 -0.056 0.000 1.277 146 D HN 0.321 nan 8.370 nan 0.000 0.538 147 F N 0.916 120.905 119.950 0.064 0.000 2.411 147 F HA 0.356 4.854 4.527 -0.048 0.000 0.350 147 F C 0.835 176.661 175.800 0.044 0.000 1.114 147 F CA -0.373 57.659 58.000 0.053 0.000 1.135 147 F CB 0.914 39.938 39.000 0.039 0.000 1.120 147 F HN -0.102 nan 8.300 nan 0.000 0.495 148 M N 4.398 124.111 119.600 0.188 0.000 2.336 148 M HA 0.495 4.945 4.480 -0.050 0.000 0.342 148 M C -1.010 175.304 176.300 0.023 0.000 1.128 148 M CA -1.063 54.275 55.300 0.062 0.000 1.016 148 M CB 1.893 34.448 32.600 -0.075 0.000 1.665 148 M HN 0.371 nan 8.290 nan 0.000 0.445 149 V N 1.392 121.318 119.914 0.019 0.000 2.357 149 V HA 0.538 4.628 4.120 -0.050 0.000 0.284 149 V C -0.521 175.609 176.094 0.060 0.000 1.018 149 V CA -0.930 61.342 62.300 -0.047 0.000 0.841 149 V CB 0.936 32.660 31.823 -0.165 0.000 0.991 149 V HN 0.770 nan 8.190 nan 0.000 0.437 150 K N 2.719 123.128 120.400 0.014 0.000 2.118 150 K HA 0.336 4.626 4.320 -0.050 0.000 0.267 150 K C -0.394 176.246 176.600 0.067 0.000 0.991 150 K CA -0.637 55.673 56.287 0.038 0.000 0.916 150 K CB 1.251 33.747 32.500 -0.006 0.000 1.041 150 K HN 0.861 nan 8.250 nan 0.000 0.455 151 D N 2.185 122.649 120.400 0.107 0.000 2.383 151 D HA -0.032 4.578 4.640 -0.050 0.000 0.252 151 D C 1.230 177.560 176.300 0.050 0.000 1.166 151 D CA -0.218 53.842 54.000 0.100 0.000 0.879 151 D CB 1.351 42.238 40.800 0.146 0.000 1.164 151 D HN 0.333 nan 8.370 nan 0.000 0.462 152 V N 2.329 122.264 119.914 0.036 0.000 2.660 152 V HA -0.169 3.921 4.120 -0.050 0.000 0.257 152 V C 1.559 177.664 176.094 0.018 0.000 1.088 152 V CA 1.329 63.641 62.300 0.020 0.000 1.106 152 V CB -0.372 31.459 31.823 0.014 0.000 0.686 152 V HN 0.482 nan 8.190 nan 0.000 0.481 153 K N -0.215 120.199 120.400 0.024 0.000 2.537 153 K HA 0.222 4.512 4.320 -0.050 0.000 0.216 153 K C 1.067 177.680 176.600 0.022 0.000 1.349 153 K CA 0.386 56.685 56.287 0.020 0.000 0.841 153 K CB 0.168 32.678 32.500 0.017 0.000 1.659 153 K HN 0.332 nan 8.250 nan 0.000 0.435 154 N N 0.841 119.559 118.700 0.029 0.000 2.715 154 N HA -0.029 4.681 4.740 -0.050 0.000 0.254 154 N C 0.503 176.031 175.510 0.030 0.000 1.306 154 N CA 0.373 53.440 53.050 0.028 0.000 0.956 154 N CB 0.120 38.625 38.487 0.031 0.000 1.296 154 N HN 0.513 nan 8.380 nan 0.000 0.512 155 G N 0.861 109.674 108.800 0.023 0.000 4.148 155 G HA2 -0.411 3.519 3.960 -0.050 0.000 0.221 155 G HA3 -0.411 3.519 3.960 -0.050 0.000 0.221 155 G C 0.171 175.065 174.900 -0.010 0.000 1.373 155 G CA 0.152 45.253 45.100 0.002 0.000 0.940 155 G HN 0.542 nan 8.290 nan 0.000 0.610 156 E N 1.064 121.255 120.200 -0.014 0.000 2.696 156 E HA 0.162 4.481 4.350 -0.050 0.000 0.270 156 E C 0.213 176.694 176.600 -0.198 0.000 0.958 156 E CA 0.471 56.794 56.400 -0.128 0.000 0.964 156 E CB -0.085 29.542 29.700 -0.122 0.000 0.948 156 E HN 0.513 nan 8.360 nan 0.000 0.472 157 C N 4.480 123.543 119.300 -0.394 0.000 2.366 157 C HA 0.617 5.046 4.460 -0.050 0.000 0.345 157 C C -0.579 174.050 174.990 -0.602 0.000 1.209 157 C CA -0.642 58.174 59.018 -0.336 0.000 2.050 157 C CB -0.253 27.309 27.740 -0.297 0.000 2.359 157 C HN 0.528 nan 8.230 nan 0.000 0.527 158 F N 0.295 120.231 119.950 -0.024 0.000 2.613 158 F HA 0.537 5.035 4.527 -0.049 0.000 0.314 158 F C 0.246 176.077 175.800 0.052 0.000 1.075 158 F CA -0.877 57.144 58.000 0.036 0.000 0.945 158 F CB 1.115 40.165 39.000 0.084 0.000 1.310 158 F HN 0.401 nan 8.300 nan 0.000 0.467 159 R N 1.012 121.692 120.500 0.300 0.000 2.267 159 R HA 0.520 4.830 4.340 -0.050 0.000 0.319 159 R C 0.725 177.212 176.300 0.312 0.000 1.067 159 R CA 0.200 56.447 56.100 0.245 0.000 0.936 159 R CB 1.149 31.567 30.300 0.197 0.000 1.006 159 R HN 0.925 nan 8.270 nan 0.000 0.452 160 A N 3.992 126.990 122.820 0.297 0.000 1.898 160 A HA -0.176 4.114 4.320 -0.050 0.000 0.216 160 A C 1.356 179.156 177.584 0.360 0.000 1.181 160 A CA 1.676 53.935 52.037 0.369 0.000 0.620 160 A CB -0.312 18.834 19.000 0.244 0.000 0.819 160 A HN 0.869 nan 8.150 nan 0.000 0.442 161 D N -1.439 119.137 120.400 0.293 0.000 2.116 161 D HA -0.200 4.409 4.640 -0.050 0.000 0.193 161 D C 1.855 178.272 176.300 0.195 0.000 0.998 161 D CA 1.706 55.842 54.000 0.226 0.000 0.836 161 D CB -0.378 40.548 40.800 0.210 0.000 0.951 161 D HN 0.710 nan 8.370 nan 0.000 0.449 162 H N 0.029 119.176 119.070 0.128 0.000 2.343 162 H HA 0.047 4.574 4.556 -0.049 0.000 0.303 162 H C 2.334 177.708 175.328 0.076 0.000 1.068 162 H CA 0.601 56.707 56.048 0.097 0.000 1.359 162 H CB -0.214 29.616 29.762 0.113 0.000 1.402 162 H HN 0.099 nan 8.280 nan 0.000 0.515 163 L N 0.489 121.735 121.223 0.039 0.000 2.013 163 L HA -0.231 4.079 4.340 -0.050 0.000 0.212 163 L C 2.828 179.600 176.870 -0.164 0.000 1.073 163 L CA 1.064 55.860 54.840 -0.074 0.000 0.753 163 L CB -0.381 41.724 42.059 0.075 0.000 0.890 163 L HN 0.276 nan 8.230 nan 0.000 0.432 164 L N 0.137 121.259 121.223 -0.168 0.000 1.994 164 L HA -0.254 4.056 4.340 -0.050 0.000 0.208 164 L C 2.572 179.311 176.870 -0.217 0.000 1.071 164 L CA 1.863 56.500 54.840 -0.339 0.000 0.745 164 L CB -0.610 41.246 42.059 -0.339 0.000 0.892 164 L HN 0.107 nan 8.230 nan 0.000 0.431 165 K N -0.896 119.425 120.400 -0.133 0.000 2.032 165 K HA -0.210 4.079 4.320 -0.050 0.000 0.209 165 K C 1.977 178.497 176.600 -0.133 0.000 1.048 165 K CA 1.500 57.725 56.287 -0.103 0.000 0.927 165 K CB -0.268 32.215 32.500 -0.029 0.000 0.712 165 K HN 0.484 nan 8.250 nan 0.000 0.441 166 A N 0.158 122.860 122.820 -0.197 0.000 1.877 166 A HA -0.222 4.068 4.320 -0.050 0.000 0.216 166 A C 1.922 179.422 177.584 -0.140 0.000 1.186 166 A CA 1.935 53.855 52.037 -0.195 0.000 0.620 166 A CB -0.879 17.935 19.000 -0.309 0.000 0.822 166 A HN 0.550 nan 8.150 nan 0.000 0.443 167 H N -0.175 118.758 119.070 -0.229 0.000 2.321 167 H HA -0.034 4.492 4.556 -0.050 0.000 0.300 167 H C 1.847 177.060 175.328 -0.192 0.000 1.087 167 H CA 1.989 57.912 56.048 -0.208 0.000 1.319 167 H CB -0.163 29.442 29.762 -0.260 0.000 1.379 167 H HN 0.358 nan 8.280 nan 0.000 0.501 168 L N -0.028 121.122 121.223 -0.121 0.000 2.017 168 L HA -0.225 4.085 4.340 -0.050 0.000 0.208 168 L C 2.531 179.318 176.870 -0.138 0.000 1.073 168 L CA 1.627 56.364 54.840 -0.172 0.000 0.745 168 L CB -0.613 41.306 42.059 -0.234 0.000 0.894 168 L HN 0.466 nan 8.230 nan 0.000 0.432 169 Q N -0.178 119.550 119.800 -0.120 0.000 2.181 169 Q HA -0.266 4.044 4.340 -0.050 0.000 0.205 169 Q C 2.173 178.111 176.000 -0.103 0.000 0.980 169 Q CA 1.607 57.355 55.803 -0.091 0.000 0.862 169 Q CB -0.052 28.644 28.738 -0.071 0.000 0.905 169 Q HN 0.389 nan 8.270 nan 0.000 0.429 170 K N 0.876 121.186 120.400 -0.150 0.000 1.973 170 K HA -0.116 4.174 4.320 -0.050 0.000 0.210 170 K C 1.984 178.488 176.600 -0.160 0.000 1.045 170 K CA 0.936 57.123 56.287 -0.167 0.000 0.937 170 K CB -0.097 32.259 32.500 -0.240 0.000 0.721 170 K HN 0.117 nan 8.250 nan 0.000 0.438 171 L N 0.677 121.773 121.223 -0.211 0.000 2.189 171 L HA -0.213 4.097 4.340 -0.050 0.000 0.214 171 L C 2.694 179.520 176.870 -0.074 0.000 1.097 171 L CA 1.110 55.867 54.840 -0.138 0.000 0.764 171 L CB -0.289 41.702 42.059 -0.112 0.000 0.900 171 L HN 0.425 nan 8.230 nan 0.000 0.436 172 M N -0.404 119.153 119.600 -0.072 0.000 2.156 172 M HA -0.125 4.325 4.480 -0.050 0.000 0.264 172 M C 2.102 178.380 176.300 -0.037 0.000 1.067 172 M CA 1.702 56.977 55.300 -0.043 0.000 1.131 172 M CB 0.104 32.678 32.600 -0.044 0.000 1.368 172 M HN 0.296 nan 8.290 nan 0.000 0.416 173 S N -0.663 115.009 115.700 -0.047 0.000 2.754 173 S HA 0.027 4.467 4.470 -0.050 0.000 0.223 173 S C 0.107 174.685 174.600 -0.037 0.000 0.951 173 S CA -0.396 57.782 58.200 -0.037 0.000 0.954 173 S CB -0.594 62.584 63.200 -0.037 0.000 0.780 173 S HN 0.343 nan 8.310 nan 0.000 0.509 174 D N 2.097 122.473 120.400 -0.041 0.000 2.295 174 D HA 0.214 4.823 4.640 -0.050 0.000 0.248 174 D C 0.318 176.604 176.300 -0.024 0.000 1.154 174 D CA -0.240 53.739 54.000 -0.035 0.000 0.857 174 D CB 1.017 41.792 40.800 -0.041 0.000 1.117 174 D HN 0.157 nan 8.370 nan 0.000 0.468 175 K N 2.697 123.086 120.400 -0.020 0.000 2.546 175 K HA 0.004 4.294 4.320 -0.050 0.000 0.198 175 K C 0.718 177.312 176.600 -0.011 0.000 1.028 175 K CA 0.270 56.548 56.287 -0.014 0.000 1.150 175 K CB 0.140 32.633 32.500 -0.012 0.000 0.876 175 K HN 0.399 nan 8.250 nan 0.000 0.508 176 K N -0.684 119.708 120.400 -0.013 0.000 2.564 176 K HA 0.171 4.461 4.320 -0.050 0.000 0.205 176 K C -0.194 176.400 176.600 -0.009 0.000 1.053 176 K CA -0.472 55.809 56.287 -0.010 0.000 1.072 176 K CB 0.236 32.730 32.500 -0.011 0.000 0.822 176 K HN -0.051 nan 8.250 nan 0.000 0.497 177 C N 1.994 121.289 119.300 -0.008 0.000 2.365 177 C HA 0.552 4.982 4.460 -0.050 0.000 0.349 177 C C 0.720 175.710 174.990 -0.000 0.000 1.191 177 C CA -0.365 58.651 59.018 -0.003 0.000 2.114 177 C CB 1.194 28.931 27.740 -0.003 0.000 2.367 177 C HN 0.678 nan 8.230 nan 0.000 0.530 178 S N 3.352 119.054 115.700 0.003 0.000 2.593 178 S HA 0.238 4.678 4.470 -0.050 0.000 0.269 178 S C 0.851 175.456 174.600 0.007 0.000 1.334 178 S CA -0.457 57.746 58.200 0.004 0.000 1.015 178 S CB 1.112 64.315 63.200 0.004 0.000 0.912 178 S HN 0.747 nan 8.310 nan 0.000 0.541 179 V N 1.781 121.699 119.914 0.007 0.000 2.407 179 V HA -0.142 3.948 4.120 -0.050 0.000 0.248 179 V C 2.583 178.685 176.094 0.013 0.000 1.055 179 V CA 2.029 64.334 62.300 0.009 0.000 1.049 179 V CB -1.134 30.693 31.823 0.007 0.000 0.662 179 V HN 0.916 nan 8.190 nan 0.000 0.455 180 E N -0.378 119.830 120.200 0.013 0.000 2.204 180 E HA -0.172 4.148 4.350 -0.050 0.000 0.194 180 E C 2.191 178.806 176.600 0.024 0.000 0.989 180 E CA 0.528 56.938 56.400 0.016 0.000 0.824 180 E CB -0.100 29.607 29.700 0.012 0.000 0.756 180 E HN 0.368 nan 8.360 nan 0.000 0.477 181 K N 1.694 122.109 120.400 0.025 0.000 2.001 181 K HA -0.108 4.182 4.320 -0.050 0.000 0.208 181 K C 1.960 178.587 176.600 0.045 0.000 1.048 181 K CA 1.172 57.484 56.287 0.041 0.000 0.932 181 K CB -0.199 32.323 32.500 0.037 0.000 0.715 181 K HN -0.007 nan 8.250 nan 0.000 0.437 182 K N 0.276 120.693 120.400 0.027 0.000 2.127 182 K HA -0.154 4.136 4.320 -0.050 0.000 0.208 182 K C 2.303 178.917 176.600 0.023 0.000 1.047 182 K CA 1.785 58.083 56.287 0.019 0.000 0.927 182 K CB -0.251 32.256 32.500 0.011 0.000 0.716 182 K HN 0.047 nan 8.250 nan 0.000 0.450 183 S N 0.657 116.373 115.700 0.026 0.000 2.387 183 S HA -0.163 4.276 4.470 -0.050 0.000 0.226 183 S C 1.994 176.617 174.600 0.039 0.000 1.026 183 S CA 1.201 59.418 58.200 0.028 0.000 0.972 183 S CB -0.050 63.164 63.200 0.024 0.000 0.814 183 S HN 0.384 nan 8.310 nan 0.000 0.477 184 E N 0.224 120.454 120.200 0.051 0.000 2.077 184 E HA -0.150 4.170 4.350 -0.050 0.000 0.193 184 E C 2.075 178.729 176.600 0.091 0.000 0.989 184 E CA 1.234 57.679 56.400 0.076 0.000 0.800 184 E CB -0.216 29.537 29.700 0.088 0.000 0.746 184 E HN 0.558 nan 8.360 nan 0.000 0.452 185 M N 0.245 119.889 119.600 0.074 0.000 2.175 185 M HA -0.110 4.340 4.480 -0.050 0.000 0.264 185 M C 1.985 178.281 176.300 -0.006 0.000 1.063 185 M CA 1.411 56.721 55.300 0.018 0.000 1.119 185 M CB 0.006 32.601 32.600 -0.009 0.000 1.377 185 M HN 0.118 nan 8.290 nan 0.000 0.415 186 E N -0.520 119.688 120.200 0.013 0.000 2.107 186 E HA -0.139 4.181 4.350 -0.050 0.000 0.191 186 E C 1.992 178.611 176.600 0.031 0.000 0.982 186 E CA 1.186 57.595 56.400 0.015 0.000 0.809 186 E CB -0.123 29.587 29.700 0.017 0.000 0.756 186 E HN 0.329 nan 8.360 nan 0.000 0.459 187 S N 0.277 116.003 115.700 0.043 0.000 2.420 187 S HA -0.146 4.294 4.470 -0.050 0.000 0.237 187 S C 1.915 176.570 174.600 0.091 0.000 1.023 187 S CA 0.930 59.165 58.200 0.058 0.000 0.991 187 S CB -0.010 63.229 63.200 0.065 0.000 0.792 187 S HN 0.068 nan 8.310 nan 0.000 0.488 188 V N 1.121 121.091 119.914 0.093 0.000 2.575 188 V HA 0.119 4.209 4.120 -0.050 0.000 0.242 188 V C 2.228 178.406 176.094 0.141 0.000 1.045 188 V CA 1.059 63.449 62.300 0.149 0.000 1.065 188 V CB -0.447 31.392 31.823 0.026 0.000 0.717 188 V HN 0.445 nan 8.190 nan 0.000 0.467 189 L N 0.510 121.761 121.223 0.047 0.000 2.265 189 L HA -0.073 4.237 4.340 -0.050 0.000 0.215 189 L C 2.292 179.188 176.870 0.043 0.000 1.117 189 L CA 1.295 56.156 54.840 0.035 0.000 0.782 189 L CB -0.531 41.529 42.059 0.002 0.000 0.914 189 L HN 0.373 nan 8.230 nan 0.000 0.441 190 A N -1.059 121.782 122.820 0.036 0.000 2.278 190 A HA 0.018 4.308 4.320 -0.050 0.000 0.212 190 A C 1.552 179.118 177.584 -0.031 0.000 1.213 190 A CA 0.317 52.359 52.037 0.008 0.000 0.840 190 A CB -0.031 18.973 19.000 0.007 0.000 0.866 190 A HN 0.503 nan 8.150 nan 0.000 0.489 191 Q N -1.054 118.719 119.800 -0.045 0.000 2.093 191 Q HA 0.332 4.642 4.340 -0.050 0.000 0.217 191 Q C 0.986 176.795 176.000 -0.319 0.000 0.785 191 Q CA -0.223 55.426 55.803 -0.256 0.000 1.038 191 Q CB 0.298 28.770 28.738 -0.445 0.000 1.190 191 Q HN 0.538 nan 8.270 nan 0.000 0.468 192 L N 1.677 122.914 121.223 0.024 0.000 1.997 192 L HA -0.238 4.072 4.340 -0.050 0.000 0.216 192 L C 1.307 178.246 176.870 0.114 0.000 1.074 192 L CA 1.766 56.714 54.840 0.180 0.000 0.763 192 L CB -0.329 41.810 42.059 0.133 0.000 0.890 192 L HN 0.430 nan 8.230 nan 0.000 0.434 193 D N -1.599 118.821 120.400 0.033 0.000 2.504 193 D HA -0.052 4.558 4.640 -0.050 0.000 0.243 193 D C 0.612 176.908 176.300 -0.007 0.000 1.203 193 D CA 0.200 54.224 54.000 0.040 0.000 0.847 193 D CB -0.337 40.475 40.800 0.020 0.000 0.973 193 D HN 0.300 nan 8.370 nan 0.000 0.490 194 N N -0.808 117.841 118.700 -0.086 0.000 2.104 194 N HA -0.009 4.701 4.740 -0.050 0.000 0.227 194 N C -0.493 174.945 175.510 -0.119 0.000 1.321 194 N CA -0.285 52.683 53.050 -0.137 0.000 0.877 194 N CB 0.362 38.706 38.487 -0.239 0.000 1.117 194 N HN 0.206 nan 8.380 nan 0.000 0.486 195 Y N 1.449 121.774 120.300 0.041 0.000 2.425 195 Y HA 0.346 4.866 4.550 -0.051 0.000 0.331 195 Y C 1.794 177.707 175.900 0.021 0.000 1.157 195 Y CA -0.270 57.838 58.100 0.013 0.000 1.372 195 Y CB 0.631 39.078 38.460 -0.021 0.000 1.253 195 Y HN -0.103 nan 8.280 nan 0.000 0.536 196 G N 1.365 110.276 108.800 0.184 0.000 2.553 196 G HA2 -0.018 3.912 3.960 -0.050 0.000 0.278 196 G HA3 -0.018 3.912 3.960 -0.050 0.000 0.278 196 G C 0.605 175.516 174.900 0.019 0.000 1.349 196 G CA -0.437 44.748 45.100 0.140 0.000 1.037 196 G HN 0.629 nan 8.290 nan 0.000 0.508 197 Q N -1.010 118.839 119.800 0.082 0.000 2.020 197 Q HA -0.179 4.131 4.340 -0.050 0.000 0.202 197 Q C 2.477 178.425 176.000 -0.086 0.000 0.982 197 Q CA 2.238 58.031 55.803 -0.016 0.000 0.838 197 Q CB -0.356 28.488 28.738 0.176 0.000 0.899 197 Q HN 0.630 nan 8.270 nan 0.000 0.423 198 Q N 0.684 120.476 119.800 -0.014 0.000 2.079 198 Q HA -0.129 4.181 4.340 -0.050 0.000 0.200 198 Q C 1.794 177.775 176.000 -0.032 0.000 0.974 198 Q CA 2.065 57.857 55.803 -0.019 0.000 0.840 198 Q CB -0.224 28.519 28.738 0.008 0.000 0.898 198 Q HN 0.472 nan 8.270 nan 0.000 0.430 199 E N -0.585 119.611 120.200 -0.007 0.000 2.110 199 E HA -0.169 4.151 4.350 -0.050 0.000 0.193 199 E C 1.840 178.378 176.600 -0.103 0.000 0.988 199 E CA 1.004 57.404 56.400 0.001 0.000 0.804 199 E CB -0.114 29.661 29.700 0.125 0.000 0.745 199 E HN 0.474 nan 8.360 nan 0.000 0.458 200 L N -0.255 120.890 121.223 -0.131 0.000 2.240 200 L HA 0.036 4.346 4.340 -0.050 0.000 0.211 200 L C 2.236 179.061 176.870 -0.075 0.000 1.106 200 L CA 0.998 55.726 54.840 -0.187 0.000 0.793 200 L CB -0.103 41.776 42.059 -0.299 0.000 0.927 200 L HN 0.139 nan 8.230 nan 0.000 0.446 201 A N -0.395 122.360 122.820 -0.108 0.000 1.898 201 A HA -0.217 4.073 4.320 -0.050 0.000 0.216 201 A C 1.829 179.422 177.584 0.014 0.000 1.181 201 A CA 1.871 53.867 52.037 -0.068 0.000 0.620 201 A CB -0.550 18.394 19.000 -0.092 0.000 0.819 201 A HN 0.443 nan 8.150 nan 0.000 0.442 202 D N 0.042 120.433 120.400 -0.015 0.000 2.178 202 D HA -0.076 4.534 4.640 -0.050 0.000 0.202 202 D C 1.854 178.158 176.300 0.007 0.000 0.974 202 D CA 0.758 54.752 54.000 -0.011 0.000 0.841 202 D CB -0.276 40.505 40.800 -0.031 0.000 0.953 202 D HN 0.462 nan 8.370 nan 0.000 0.478 203 L N -0.586 120.638 121.223 0.002 0.000 2.141 203 L HA -0.121 4.189 4.340 -0.050 0.000 0.209 203 L C 2.176 179.105 176.870 0.099 0.000 1.094 203 L CA 0.607 55.474 54.840 0.044 0.000 0.763 203 L CB -0.304 41.674 42.059 -0.136 0.000 0.908 203 L HN -0.047 nan 8.230 nan 0.000 0.437 204 F N -0.573 119.341 119.950 -0.061 0.000 2.186 204 F HA -0.187 4.310 4.527 -0.051 0.000 0.299 204 F C 2.288 178.049 175.800 -0.064 0.000 1.090 204 F CA 1.284 59.236 58.000 -0.079 0.000 1.307 204 F CB -0.388 38.549 39.000 -0.104 0.000 1.019 204 F HN -0.216 nan 8.300 nan 0.000 0.489 205 V N -0.372 119.609 119.914 0.113 0.000 2.346 205 V HA -0.254 3.836 4.120 -0.050 0.000 0.244 205 V C 1.556 177.629 176.094 -0.034 0.000 1.037 205 V CA 1.963 64.281 62.300 0.029 0.000 1.029 205 V CB -0.816 31.013 31.823 0.009 0.000 0.663 205 V HN 0.331 nan 8.190 nan 0.000 0.454 206 N N -1.298 117.359 118.700 -0.071 0.000 2.573 206 N HA -0.090 4.620 4.740 -0.050 0.000 0.187 206 N C 0.872 176.127 175.510 -0.426 0.000 1.107 206 N CA 0.837 53.750 53.050 -0.229 0.000 0.918 206 N CB -0.007 38.316 38.487 -0.274 0.000 0.966 206 N HN 0.560 nan 8.380 nan 0.000 0.448 207 Y N -0.568 119.665 120.300 -0.112 0.000 2.527 207 Y HA 0.195 4.715 4.550 -0.050 0.000 0.247 207 Y C 0.142 175.958 175.900 -0.139 0.000 1.138 207 Y CA -0.661 57.369 58.100 -0.116 0.000 1.228 207 Y CB 0.410 38.769 38.460 -0.168 0.000 1.252 207 Y HN -0.121 nan 8.280 nan 0.000 0.531 208 N N 0.989 119.669 118.700 -0.032 0.000 2.696 208 N HA -0.163 4.546 4.740 -0.050 0.000 0.256 208 N C -1.239 174.166 175.510 -0.174 0.000 1.031 208 N CA 0.364 53.386 53.050 -0.047 0.000 0.730 208 N CB -0.993 37.500 38.487 0.009 0.000 0.894 208 N HN 0.031 nan 8.380 nan 0.000 0.544 209 V N 1.230 120.941 119.914 -0.338 0.000 2.546 209 V HA 0.383 4.473 4.120 -0.050 0.000 0.284 209 V C 0.802 176.797 176.094 -0.165 0.000 1.050 209 V CA 0.047 61.990 62.300 -0.596 0.000 0.981 209 V CB 1.458 32.806 31.823 -0.792 0.000 0.990 209 V HN 0.314 nan 8.190 nan 0.000 0.474 210 K N 2.133 122.460 120.400 -0.122 0.000 2.439 210 K HA 0.606 4.896 4.320 -0.050 0.000 0.260 210 K C -0.088 176.461 176.600 -0.085 0.000 1.032 210 K CA -0.691 55.572 56.287 -0.040 0.000 0.882 210 K CB 1.417 33.911 32.500 -0.010 0.000 1.420 210 K HN 0.457 nan 8.250 nan 0.000 0.455 211 S N 0.404 116.043 115.700 -0.102 0.000 2.545 211 S HA -0.065 4.375 4.470 -0.050 0.000 0.268 211 S C -1.645 172.834 174.600 -0.202 0.000 1.369 211 S CA -0.021 58.045 58.200 -0.223 0.000 1.001 211 S CB 0.033 63.191 63.200 -0.071 0.000 0.838 211 S HN 0.641 nan 8.310 nan 0.000 0.520 212 P HA 0.277 nan 4.420 nan 0.000 0.249 212 P C 0.176 177.451 177.300 -0.042 0.000 1.177 212 P CA 0.049 63.069 63.100 -0.134 0.000 0.879 212 P CB -0.217 31.380 31.700 -0.171 0.000 1.083 213 I N -1.391 119.177 120.570 -0.004 0.000 2.396 213 I HA 0.438 4.578 4.170 -0.050 0.000 0.292 213 I C 0.267 176.405 176.117 0.035 0.000 0.999 213 I CA -0.882 60.446 61.300 0.047 0.000 1.310 213 I CB 0.850 38.913 38.000 0.105 0.000 1.404 213 I HN -0.205 nan 8.210 nan 0.000 0.496 214 T N 3.858 118.429 114.554 0.029 0.000 2.153 214 T HA -0.105 4.215 4.350 -0.050 0.000 0.179 214 T C 0.774 175.484 174.700 0.018 0.000 1.064 214 T CA 0.355 62.467 62.100 0.020 0.000 1.637 214 T CB -1.218 67.664 68.868 0.022 0.000 0.966 214 T HN 1.262 nan 8.240 nan 0.000 0.412 215 G N 4.518 113.323 108.800 0.008 0.000 2.257 215 G HA2 0.287 4.217 3.960 -0.050 0.000 0.235 215 G HA3 0.287 4.217 3.960 -0.050 0.000 0.235 215 G C 0.154 175.062 174.900 0.014 0.000 1.225 215 G CA -0.493 44.610 45.100 0.004 0.000 0.878 215 G HN 0.979 nan 8.290 nan 0.000 0.505 216 N N 0.232 118.942 118.700 0.016 0.000 3.038 216 N HA 0.327 5.037 4.740 -0.050 0.000 0.307 216 N C -0.696 174.825 175.510 0.017 0.000 1.441 216 N CA -0.831 52.232 53.050 0.021 0.000 0.772 216 N CB 1.143 39.649 38.487 0.031 0.000 1.651 216 N HN 0.379 nan 8.380 nan 0.000 0.593 217 D N 0.408 120.819 120.400 0.018 0.000 2.357 217 D HA 0.293 4.903 4.640 -0.050 0.000 0.242 217 D C -0.150 176.164 176.300 0.023 0.000 1.153 217 D CA 0.257 54.268 54.000 0.017 0.000 0.918 217 D CB 0.671 41.478 40.800 0.013 0.000 1.181 217 D HN 0.210 nan 8.370 nan 0.000 0.435 218 L N 0.828 122.065 121.223 0.023 0.000 2.341 218 L HA 0.275 4.585 4.340 -0.050 0.000 0.278 218 L C 0.489 177.341 176.870 -0.030 0.000 1.005 218 L CA -0.849 53.998 54.840 0.012 0.000 0.818 218 L CB 1.718 43.798 42.059 0.035 0.000 1.259 218 L HN 0.377 nan 8.230 nan 0.000 0.418 219 S N 2.408 118.084 115.700 -0.040 0.000 2.585 219 S HA 0.362 4.802 4.470 -0.050 0.000 0.273 219 S C -2.475 172.049 174.600 -0.127 0.000 1.339 219 S CA -1.181 56.985 58.200 -0.058 0.000 1.028 219 S CB 0.307 63.487 63.200 -0.034 0.000 0.906 219 S HN 0.329 nan 8.310 nan 0.000 0.528 220 P HA 0.154 nan 4.420 nan 0.000 0.262 220 P C -2.322 174.877 177.300 -0.167 0.000 1.182 220 P CA -0.792 62.219 63.100 -0.149 0.000 0.761 220 P CB -0.485 31.169 31.700 -0.077 0.000 0.795 221 P HA -0.019 nan 4.420 nan 0.000 0.266 221 P C -0.408 176.919 177.300 0.045 0.000 1.215 221 P CA 0.327 63.314 63.100 -0.187 0.000 0.763 221 P CB 0.273 31.745 31.700 -0.380 0.000 0.806 222 V N 0.502 120.500 119.914 0.140 0.000 2.881 222 V HA 0.564 4.654 4.120 -0.050 0.000 0.316 222 V C 0.317 176.562 176.094 0.252 0.000 1.070 222 V CA -1.108 61.310 62.300 0.197 0.000 0.976 222 V CB 1.645 33.529 31.823 0.102 0.000 1.038 222 V HN 0.475 nan 8.190 nan 0.000 0.446 223 S N 2.013 117.797 115.700 0.139 0.000 2.505 223 S HA 0.502 4.942 4.470 -0.050 0.000 0.276 223 S C -0.875 173.734 174.600 0.014 0.000 1.274 223 S CA -0.285 57.857 58.200 -0.097 0.000 1.053 223 S CB -0.425 62.679 63.200 -0.161 0.000 0.919 223 S HN 0.817 nan 8.310 nan 0.000 0.490 224 F N 6.387 126.229 119.950 -0.180 0.000 2.403 224 F HA 0.469 4.965 4.527 -0.051 0.000 0.355 224 F C -0.136 175.570 175.800 -0.156 0.000 1.119 224 F CA -1.141 56.784 58.000 -0.124 0.000 1.007 224 F CB 0.651 39.596 39.000 -0.092 0.000 1.194 224 F HN 0.543 nan 8.300 nan 0.000 0.443 225 N N 4.693 122.985 118.700 -0.679 0.000 2.458 225 N HA 0.090 4.800 4.740 -0.050 0.000 0.258 225 N C 0.521 175.521 175.510 -0.850 0.000 1.219 225 N CA 0.320 53.016 53.050 -0.590 0.000 0.902 225 N CB 0.725 38.996 38.487 -0.360 0.000 1.076 225 N HN 0.828 nan 8.380 nan 0.000 0.455 226 L N 2.188 123.129 121.223 -0.470 0.000 2.592 226 L HA 0.229 4.539 4.340 -0.050 0.000 0.227 226 L C 0.452 177.265 176.870 -0.095 0.000 1.127 226 L CA 0.120 54.749 54.840 -0.352 0.000 0.884 226 L CB -0.145 41.655 42.059 -0.433 0.000 1.065 226 L HN 0.472 nan 8.230 nan 0.000 0.457 227 M N -0.316 119.243 119.600 -0.067 0.000 2.216 227 M HA 0.237 4.687 4.480 -0.050 0.000 0.356 227 M C -0.698 175.575 176.300 -0.044 0.000 1.205 227 M CA -0.459 54.839 55.300 -0.004 0.000 1.122 227 M CB 1.179 33.675 32.600 -0.173 0.000 1.571 227 M HN -0.157 nan 8.290 nan 0.000 0.464 228 F N 3.218 123.240 119.950 0.121 0.000 2.466 228 F HA 0.171 4.674 4.527 -0.040 0.000 0.363 228 F C 0.649 176.513 175.800 0.107 0.000 1.109 228 F CA 0.026 58.072 58.000 0.076 0.000 1.161 228 F CB 0.055 39.040 39.000 -0.025 0.000 1.117 228 F HN 0.352 nan 8.300 nan 0.000 0.539 229 K N 2.347 122.879 120.400 0.219 0.000 2.298 229 K HA 0.405 4.695 4.320 -0.050 0.000 0.280 229 K C 0.334 176.876 176.600 -0.097 0.000 1.032 229 K CA -0.167 56.117 56.287 -0.005 0.000 0.958 229 K CB 1.286 33.779 32.500 -0.012 0.000 0.978 229 K HN 0.634 nan 8.250 nan 0.000 0.472 230 T N 1.451 115.807 114.554 -0.329 0.000 2.671 230 T HA 0.613 4.933 4.350 -0.050 0.000 0.300 230 T C -1.891 172.530 174.700 -0.465 0.000 1.238 230 T CA -0.727 61.243 62.100 -0.215 0.000 1.020 230 T CB 0.582 69.378 68.868 -0.120 0.000 1.503 230 T HN 0.324 nan 8.240 nan 0.000 0.497 231 F N 1.201 121.081 119.950 -0.118 0.000 2.562 231 F HA 0.599 5.097 4.527 -0.049 0.000 0.319 231 F C -0.216 175.534 175.800 -0.085 0.000 1.154 231 F CA -0.802 57.135 58.000 -0.105 0.000 0.931 231 F CB 1.621 40.573 39.000 -0.080 0.000 1.198 231 F HN 0.367 nan 8.300 nan 0.000 0.444 232 I N 4.024 124.629 120.570 0.058 0.000 2.312 232 I HA 0.627 4.767 4.170 -0.050 0.000 0.291 232 I C 0.691 176.836 176.117 0.047 0.000 1.031 232 I CA -0.117 61.197 61.300 0.023 0.000 1.293 232 I CB 0.347 38.334 38.000 -0.022 0.000 1.403 232 I HN 0.805 nan 8.210 nan 0.000 0.484 233 G N 7.384 116.204 108.800 0.033 0.000 2.660 233 G HA2 -0.138 3.792 3.960 -0.050 0.000 0.247 233 G HA3 -0.138 3.792 3.960 -0.050 0.000 0.247 233 G C -2.739 172.173 174.900 0.020 0.000 1.328 233 G CA -1.187 43.926 45.100 0.022 0.000 0.884 233 G HN 0.493 nan 8.290 nan 0.000 0.531 234 P HA 0.355 nan 4.420 nan 0.000 0.262 234 P C 1.173 178.454 177.300 -0.031 0.000 1.455 234 P CA 1.534 64.625 63.100 -0.015 0.000 1.217 234 P CB -0.007 31.685 31.700 -0.014 0.000 1.625 235 G N 2.641 111.403 108.800 -0.063 0.000 2.271 235 G HA2 -0.293 3.637 3.960 -0.050 0.000 0.277 235 G HA3 -0.293 3.637 3.960 -0.050 0.000 0.277 235 G C 0.796 175.589 174.900 -0.177 0.000 1.004 235 G CA 0.625 45.628 45.100 -0.162 0.000 0.679 235 G HN 0.706 nan 8.290 nan 0.000 0.540 236 G N -0.468 108.306 108.800 -0.043 0.000 3.227 236 G HA2 0.409 4.339 3.960 -0.050 0.000 0.171 236 G HA3 0.409 4.339 3.960 -0.050 0.000 0.171 236 G C 0.543 175.492 174.900 0.082 0.000 1.463 236 G CA 0.107 45.205 45.100 -0.004 0.000 1.016 236 G HN 0.183 nan 8.290 nan 0.000 0.594 237 N N 0.723 119.465 118.700 0.070 0.000 2.466 237 N HA 0.193 4.903 4.740 -0.050 0.000 0.251 237 N C -0.252 175.304 175.510 0.076 0.000 1.164 237 N CA 0.104 53.202 53.050 0.079 0.000 0.888 237 N CB 0.450 38.964 38.487 0.044 0.000 1.177 237 N HN 0.270 nan 8.380 nan 0.000 0.498 238 M N 1.244 120.908 119.600 0.107 0.000 2.067 238 M HA 0.300 4.750 4.480 -0.050 0.000 0.214 238 M C -2.874 173.421 176.300 -0.008 0.000 0.891 238 M CA -1.540 53.786 55.300 0.043 0.000 0.697 238 M CB 1.851 34.468 32.600 0.027 0.000 1.616 238 M HN -0.200 nan 8.290 nan 0.000 0.354 239 P HA 0.567 nan 4.420 nan 0.000 0.278 239 P C -0.470 176.512 177.300 -0.530 0.000 1.238 239 P CA 0.095 62.829 63.100 -0.609 0.000 0.794 239 P CB 1.655 32.955 31.700 -0.667 0.000 0.955 240 G N 0.625 109.002 108.800 -0.704 0.000 2.727 240 G HA2 0.682 4.612 3.960 -0.050 0.000 0.289 240 G HA3 0.682 4.612 3.960 -0.050 0.000 0.289 240 G C -2.099 172.335 174.900 -0.776 0.000 1.418 240 G CA -0.617 44.150 45.100 -0.554 0.000 0.818 240 G HN 0.396 nan 8.290 nan 0.000 0.486 241 Y N -1.566 118.662 120.300 -0.120 0.000 2.638 241 Y HA 0.615 5.132 4.550 -0.055 0.000 0.339 241 Y C -0.444 175.405 175.900 -0.085 0.000 1.084 241 Y CA -1.013 57.034 58.100 -0.089 0.000 1.068 241 Y CB 1.941 40.361 38.460 -0.067 0.000 1.294 241 Y HN 0.319 nan 8.280 nan 0.000 0.480 242 L N 2.631 123.917 121.223 0.106 0.000 2.281 242 L HA 0.379 4.689 4.340 -0.050 0.000 0.285 242 L C 0.211 177.155 176.870 0.124 0.000 1.074 242 L CA -0.557 54.269 54.840 -0.023 0.000 0.817 242 L CB 0.564 42.393 42.059 -0.383 0.000 1.168 242 L HN 0.554 nan 8.230 nan 0.000 0.434 243 R N 4.996 125.557 120.500 0.102 0.000 2.494 243 R HA -0.026 4.284 4.340 -0.050 0.000 0.291 243 R C -1.953 174.382 176.300 0.059 0.000 0.953 243 R CA -0.585 55.539 56.100 0.039 0.000 1.098 243 R CB -0.130 30.179 30.300 0.015 0.000 0.911 243 R HN 0.431 nan 8.270 nan 0.000 0.407 244 P HA -0.029 nan 4.420 nan 0.000 0.226 244 P C -0.460 176.824 177.300 -0.027 0.000 1.161 244 P CA 0.964 64.010 63.100 -0.090 0.000 0.804 244 P CB 0.495 31.840 31.700 -0.592 0.000 0.829 245 E N -2.010 118.125 120.200 -0.108 0.000 2.433 245 E HA 0.334 4.654 4.350 -0.050 0.000 0.273 245 E C -0.028 176.535 176.600 -0.061 0.000 0.950 245 E CA -0.510 55.869 56.400 -0.036 0.000 0.796 245 E CB 1.389 31.070 29.700 -0.031 0.000 1.330 245 E HN -0.352 nan 8.360 nan 0.000 0.455 246 T N 0.026 114.548 114.554 -0.053 0.000 3.044 246 T HA 0.086 4.406 4.350 -0.050 0.000 0.250 246 T C 1.425 176.055 174.700 -0.116 0.000 1.081 246 T CA 0.706 62.760 62.100 -0.078 0.000 1.040 246 T CB 0.199 69.020 68.868 -0.078 0.000 0.962 246 T HN 0.497 nan 8.240 nan 0.000 0.506 247 A N 1.190 123.924 122.820 -0.142 0.000 1.969 247 A HA -0.089 4.200 4.320 -0.050 0.000 0.218 247 A C 2.243 179.581 177.584 -0.411 0.000 1.169 247 A CA 1.252 53.101 52.037 -0.314 0.000 0.635 247 A CB -0.439 18.389 19.000 -0.287 0.000 0.810 247 A HN 0.300 nan 8.150 nan 0.000 0.445 248 Q N -0.218 119.509 119.800 -0.122 0.000 2.124 248 Q HA -0.054 4.256 4.340 -0.050 0.000 0.202 248 Q C 2.051 178.034 176.000 -0.029 0.000 0.977 248 Q CA 1.761 57.593 55.803 0.048 0.000 0.850 248 Q CB -0.836 27.935 28.738 0.055 0.000 0.901 248 Q HN 0.593 nan 8.270 nan 0.000 0.429 249 G N 0.042 108.800 108.800 -0.070 0.000 2.422 249 G HA2 -0.214 3.716 3.960 -0.050 0.000 0.218 249 G HA3 -0.214 3.716 3.960 -0.050 0.000 0.218 249 G C 1.361 176.239 174.900 -0.036 0.000 1.146 249 G CA 0.848 45.918 45.100 -0.050 0.000 0.769 249 G HN 0.384 nan 8.290 nan 0.000 0.547 250 I N -0.169 120.347 120.570 -0.091 0.000 2.252 250 I HA -0.095 4.045 4.170 -0.050 0.000 0.245 250 I C 2.359 178.550 176.117 0.123 0.000 1.102 250 I CA 0.679 61.964 61.300 -0.026 0.000 1.385 250 I CB -0.286 37.648 38.000 -0.108 0.000 1.064 250 I HN 0.023 nan 8.210 nan 0.000 0.414 251 F N 1.040 121.092 119.950 0.170 0.000 2.134 251 F HA -0.159 4.342 4.527 -0.043 0.000 0.299 251 F C 2.322 178.134 175.800 0.019 0.000 1.097 251 F CA 1.209 59.301 58.000 0.153 0.000 1.264 251 F CB -1.126 37.926 39.000 0.088 0.000 1.001 251 F HN -0.042 nan 8.300 nan 0.000 0.479 252 L N -0.346 120.927 121.223 0.083 0.000 2.265 252 L HA -0.189 4.121 4.340 -0.050 0.000 0.215 252 L C 1.254 178.155 176.870 0.052 0.000 1.117 252 L CA 1.150 55.977 54.840 -0.021 0.000 0.782 252 L CB -0.519 41.496 42.059 -0.073 0.000 0.914 252 L HN 0.202 nan 8.230 nan 0.000 0.441 253 N N -0.900 117.855 118.700 0.091 0.000 2.273 253 N HA 0.013 4.723 4.740 -0.050 0.000 0.231 253 N C 1.265 176.837 175.510 0.104 0.000 1.134 253 N CA -0.007 53.083 53.050 0.068 0.000 0.856 253 N CB 0.428 38.929 38.487 0.023 0.000 1.068 253 N HN 0.200 nan 8.380 nan 0.000 0.510 254 F N 2.571 122.540 119.950 0.030 0.000 2.126 254 F HA -0.164 4.331 4.527 -0.052 0.000 0.299 254 F C 2.090 177.869 175.800 -0.034 0.000 1.096 254 F CA 1.610 59.615 58.000 0.008 0.000 1.255 254 F CB 0.228 39.207 39.000 -0.034 0.000 0.997 254 F HN -0.112 nan 8.300 nan 0.000 0.479 255 K N 0.056 120.523 120.400 0.111 0.000 2.026 255 K HA -0.176 4.114 4.320 -0.050 0.000 0.208 255 K C 2.119 178.657 176.600 -0.103 0.000 1.048 255 K CA 1.926 58.220 56.287 0.011 0.000 0.929 255 K CB -0.292 32.246 32.500 0.064 0.000 0.713 255 K HN 0.290 nan 8.250 nan 0.000 0.439 256 R N 0.455 120.914 120.500 -0.068 0.000 2.081 256 R HA -0.092 4.218 4.340 -0.050 0.000 0.235 256 R C 2.168 178.397 176.300 -0.118 0.000 1.131 256 R CA 0.971 57.031 56.100 -0.067 0.000 0.960 256 R CB -0.386 29.888 30.300 -0.044 0.000 0.856 256 R HN 0.038 nan 8.270 nan 0.000 0.436 257 L N 0.491 121.594 121.223 -0.200 0.000 2.141 257 L HA -0.098 4.212 4.340 -0.050 0.000 0.209 257 L C 2.143 178.637 176.870 -0.627 0.000 1.094 257 L CA 1.159 55.822 54.840 -0.295 0.000 0.763 257 L CB -0.663 41.299 42.059 -0.161 0.000 0.908 257 L HN 0.151 nan 8.230 nan 0.000 0.437 258 L N -0.427 120.341 121.223 -0.758 0.000 2.056 258 L HA -0.158 4.152 4.340 -0.050 0.000 0.207 258 L C 2.352 178.970 176.870 -0.421 0.000 1.078 258 L CA 1.667 56.018 54.840 -0.816 0.000 0.749 258 L CB -0.520 41.129 42.059 -0.683 0.000 0.901 258 L HN 0.321 nan 8.230 nan 0.000 0.433 259 E N -1.362 118.690 120.200 -0.247 0.000 2.150 259 E HA -0.241 4.079 4.350 -0.050 0.000 0.193 259 E C 1.989 178.526 176.600 -0.105 0.000 0.985 259 E CA 1.193 57.512 56.400 -0.136 0.000 0.814 259 E CB -0.268 29.387 29.700 -0.074 0.000 0.752 259 E HN 0.516 nan 8.360 nan 0.000 0.466 260 F N 1.582 121.391 119.950 -0.235 0.000 2.293 260 F HA -0.066 4.435 4.527 -0.043 0.000 0.300 260 F C 1.529 177.213 175.800 -0.194 0.000 1.086 260 F CA 0.940 58.830 58.000 -0.184 0.000 1.375 260 F CB 0.201 39.101 39.000 -0.167 0.000 1.045 260 F HN -0.129 nan 8.300 nan 0.000 0.516 261 N N 0.724 119.319 118.700 -0.175 0.000 2.327 261 N HA 0.053 4.763 4.740 -0.050 0.000 0.231 261 N C -0.083 175.313 175.510 -0.189 0.000 1.130 261 N CA 0.244 53.171 53.050 -0.204 0.000 0.845 261 N CB -0.255 38.052 38.487 -0.301 0.000 1.073 261 N HN 0.290 nan 8.380 nan 0.000 0.496 262 Q N -1.813 117.873 119.800 -0.191 0.000 2.439 262 Q HA -0.225 4.085 4.340 -0.050 0.000 0.247 262 Q C 0.668 176.601 176.000 -0.113 0.000 0.899 262 Q CA 0.681 56.400 55.803 -0.141 0.000 1.201 262 Q CB -1.852 26.815 28.738 -0.119 0.000 1.608 262 Q HN 0.516 nan 8.270 nan 0.000 0.563 263 G N 0.250 108.963 108.800 -0.145 0.000 2.143 263 G HA2 -0.366 3.564 3.960 -0.050 0.000 0.248 263 G HA3 -0.366 3.564 3.960 -0.050 0.000 0.248 263 G C 0.061 174.931 174.900 -0.049 0.000 0.991 263 G CA 0.709 45.745 45.100 -0.107 0.000 0.689 263 G HN 0.502 nan 8.290 nan 0.000 0.522 264 K N -0.327 120.045 120.400 -0.047 0.000 2.107 264 K HA 0.747 5.037 4.320 -0.050 0.000 0.251 264 K C 1.573 178.239 176.600 0.110 0.000 1.012 264 K CA -0.665 55.637 56.287 0.025 0.000 0.920 264 K CB 1.133 33.644 32.500 0.019 0.000 1.033 264 K HN 0.055 nan 8.250 nan 0.000 0.478 265 L N -0.347 120.960 121.223 0.140 0.000 2.007 265 L HA 0.034 4.344 4.340 -0.050 0.000 0.205 265 L C -1.257 175.772 176.870 0.265 0.000 1.073 265 L CA 0.216 55.175 54.840 0.199 0.000 0.744 265 L CB -1.225 40.927 42.059 0.155 0.000 0.898 265 L HN 0.578 nan 8.230 nan 0.000 0.435 266 P HA 0.275 nan 4.420 nan 0.000 0.297 266 P C -1.136 176.275 177.300 0.184 0.000 1.331 266 P CA 0.022 63.209 63.100 0.144 0.000 0.803 266 P CB 0.896 32.664 31.700 0.114 0.000 0.929 267 F N 0.769 120.688 119.950 -0.051 0.000 2.668 267 F HA 0.851 5.346 4.527 -0.053 0.000 0.309 267 F C -1.932 173.857 175.800 -0.017 0.000 1.117 267 F CA -1.550 56.439 58.000 -0.018 0.000 0.951 267 F CB 1.007 40.030 39.000 0.038 0.000 1.323 267 F HN 0.422 nan 8.300 nan 0.000 0.451 268 A N 1.628 124.497 122.820 0.081 0.000 2.386 268 A HA 0.980 5.270 4.320 -0.050 0.000 0.311 268 A C -1.310 176.415 177.584 0.235 0.000 1.068 268 A CA -0.393 51.671 52.037 0.045 0.000 0.743 268 A CB 1.206 20.343 19.000 0.228 0.000 1.258 268 A HN 1.870 nan 8.150 nan 0.000 0.429 269 A N 0.672 123.601 122.820 0.182 0.000 2.386 269 A HA 0.924 5.214 4.320 -0.050 0.000 0.311 269 A C -0.142 177.511 177.584 0.115 0.000 1.068 269 A CA 0.065 52.224 52.037 0.204 0.000 0.743 269 A CB 1.364 20.537 19.000 0.288 0.000 1.258 269 A HN 2.390 nan 8.150 nan 0.000 0.429 270 A N 0.987 123.877 122.820 0.118 0.000 2.479 270 A HA 0.890 5.180 4.320 -0.050 0.000 0.296 270 A C -0.717 176.916 177.584 0.082 0.000 1.121 270 A CA -0.597 51.518 52.037 0.131 0.000 0.743 270 A CB 1.728 20.873 19.000 0.242 0.000 1.323 270 A HN 1.047 nan 8.150 nan 0.000 0.415 271 Q N 0.449 120.281 119.800 0.052 0.000 2.327 271 Q HA 0.584 4.894 4.340 -0.050 0.000 0.265 271 Q C -2.190 173.763 176.000 -0.079 0.000 0.993 271 Q CA -0.364 55.433 55.803 -0.010 0.000 0.885 271 Q CB 1.601 30.317 28.738 -0.037 0.000 1.379 271 Q HN 0.700 nan 8.270 nan 0.000 0.408 272 I N 3.294 123.809 120.570 -0.092 0.000 2.355 272 I HA 0.829 4.969 4.170 -0.050 0.000 0.288 272 I C 0.328 176.362 176.117 -0.138 0.000 0.999 272 I CA -0.461 60.734 61.300 -0.175 0.000 1.163 272 I CB 1.680 39.575 38.000 -0.175 0.000 1.316 272 I HN 0.774 nan 8.210 nan 0.000 0.454 273 G N 4.515 113.220 108.800 -0.159 0.000 2.428 273 G HA2 0.242 4.172 3.960 -0.050 0.000 0.304 273 G HA3 0.242 4.172 3.960 -0.050 0.000 0.304 273 G C -1.809 172.976 174.900 -0.192 0.000 1.303 273 G CA -0.730 44.284 45.100 -0.144 0.000 0.825 273 G HN 0.393 nan 8.290 nan 0.000 0.484 274 N N 0.172 118.735 118.700 -0.228 0.000 2.456 274 N HA 0.719 5.429 4.740 -0.050 0.000 0.288 274 N C -0.367 174.803 175.510 -0.567 0.000 1.059 274 N CA -0.157 52.630 53.050 -0.438 0.000 0.946 274 N CB 1.757 39.949 38.487 -0.492 0.000 1.150 274 N HN 0.424 nan 8.380 nan 0.000 0.479 275 S N 0.809 115.988 115.700 -0.868 0.000 2.648 275 S HA 0.691 5.131 4.470 -0.050 0.000 0.305 275 S C -1.086 172.665 174.600 -1.415 0.000 1.094 275 S CA -0.539 57.184 58.200 -0.794 0.000 0.983 275 S CB 0.822 63.801 63.200 -0.367 0.000 1.101 275 S HN 0.327 nan 8.310 nan 0.000 0.514 276 F N 1.031 120.751 119.950 -0.384 0.000 2.540 276 F HA 0.584 5.069 4.527 -0.070 0.000 0.317 276 F C 0.322 176.290 175.800 0.280 0.000 1.104 276 F CA -0.742 57.206 58.000 -0.087 0.000 0.913 276 F CB 1.622 40.686 39.000 0.107 0.000 1.170 276 F HN 0.192 nan 8.300 nan 0.000 0.450 277 R N 1.388 122.271 120.500 0.638 0.000 2.507 277 R HA 0.169 4.479 4.340 -0.050 0.000 0.298 277 R C -0.696 175.800 176.300 0.326 0.000 1.087 277 R CA -0.556 55.857 56.100 0.521 0.000 0.917 277 R CB 1.624 32.259 30.300 0.560 0.000 1.173 277 R HN 0.710 nan 8.270 nan 0.000 0.472 278 N N 3.360 121.992 118.700 -0.115 0.000 2.814 278 N HA -0.055 4.655 4.740 -0.050 0.000 0.304 278 N C -0.405 175.101 175.510 -0.007 0.000 1.211 278 N CA -0.058 52.748 53.050 -0.406 0.000 1.158 278 N CB 0.521 38.400 38.487 -1.015 0.000 1.458 278 N HN 0.362 nan 8.380 nan 0.000 0.519 279 E N 1.543 121.810 120.200 0.112 0.000 2.436 279 E HA -0.066 4.254 4.350 -0.050 0.000 0.262 279 E C 1.362 178.019 176.600 0.095 0.000 1.063 279 E CA 0.110 56.571 56.400 0.102 0.000 0.944 279 E CB 1.221 30.979 29.700 0.097 0.000 0.950 279 E HN 0.490 nan 8.360 nan 0.000 0.444 280 I N 0.510 121.113 120.570 0.055 0.000 2.188 280 I HA -0.165 3.975 4.170 -0.050 0.000 0.237 280 I C 1.420 177.503 176.117 -0.058 0.000 1.073 280 I CA 1.013 62.288 61.300 -0.041 0.000 1.359 280 I CB 0.140 38.084 38.000 -0.093 0.000 1.083 280 I HN 0.215 nan 8.210 nan 0.000 0.412 281 S N 1.757 117.432 115.700 -0.041 0.000 2.216 281 S HA 0.344 4.784 4.470 -0.050 0.000 0.156 281 S C -2.496 172.096 174.600 -0.014 0.000 1.665 281 S CA -1.305 56.869 58.200 -0.043 0.000 1.262 281 S CB 0.238 63.391 63.200 -0.079 0.000 1.207 281 S HN -0.014 nan 8.310 nan 0.000 0.427 282 P HA 0.423 nan 4.420 nan 0.000 0.282 282 P C -0.825 176.495 177.300 0.033 0.000 1.274 282 P CA -0.428 62.683 63.100 0.017 0.000 0.770 282 P CB 0.494 32.226 31.700 0.054 0.000 0.867 283 R N 1.740 122.254 120.500 0.024 0.000 2.638 283 R HA 0.245 4.555 4.340 -0.050 0.000 0.269 283 R C -0.164 176.178 176.300 0.071 0.000 1.393 283 R CA -0.150 55.986 56.100 0.059 0.000 1.531 283 R CB 0.429 30.766 30.300 0.062 0.000 1.327 283 R HN 0.543 nan 8.270 nan 0.000 0.709 284 S N -1.667 114.051 115.700 0.031 0.000 2.924 284 S HA 0.347 4.787 4.470 -0.050 0.000 0.244 284 S C 0.750 175.214 174.600 -0.226 0.000 0.842 284 S CA -0.163 58.013 58.200 -0.040 0.000 1.086 284 S CB 0.980 64.070 63.200 -0.185 0.000 1.295 284 S HN 0.607 nan 8.310 nan 0.000 0.500 285 G N 2.699 111.478 108.800 -0.036 0.000 2.566 285 G HA2 -0.312 3.618 3.960 -0.050 0.000 0.280 285 G HA3 -0.312 3.618 3.960 -0.050 0.000 0.280 285 G C 0.479 175.172 174.900 -0.344 0.000 1.225 285 G CA 0.191 45.190 45.100 -0.169 0.000 0.966 285 G HN 0.725 nan 8.290 nan 0.000 0.560 286 L N 1.364 122.208 121.223 -0.632 0.000 2.551 286 L HA 0.065 4.374 4.340 -0.050 0.000 0.228 286 L C 2.810 179.443 176.870 -0.394 0.000 1.153 286 L CA -0.017 54.511 54.840 -0.520 0.000 0.851 286 L CB -0.491 41.219 42.059 -0.582 0.000 0.959 286 L HN 0.436 nan 8.230 nan 0.000 0.451 287 I N 0.150 120.408 120.570 -0.521 0.000 2.133 287 I HA -0.179 3.961 4.170 -0.050 0.000 0.238 287 I C 1.217 177.160 176.117 -0.290 0.000 1.074 287 I CA 1.367 62.393 61.300 -0.456 0.000 1.342 287 I CB -0.676 36.921 38.000 -0.672 0.000 1.053 287 I HN 0.212 nan 8.210 nan 0.000 0.404 288 R N 1.114 121.480 120.500 -0.224 0.000 2.272 288 R HA 0.474 4.784 4.340 -0.050 0.000 0.323 288 R C -0.703 175.598 176.300 0.001 0.000 1.002 288 R CA -0.210 55.821 56.100 -0.116 0.000 0.900 288 R CB 1.378 31.618 30.300 -0.100 0.000 1.151 288 R HN 0.106 nan 8.270 nan 0.000 0.507 289 V N -0.287 119.658 119.914 0.052 0.000 3.046 289 V HA 0.496 4.586 4.120 -0.050 0.000 0.316 289 V C 0.735 177.032 176.094 0.337 0.000 1.104 289 V CA -1.139 61.288 62.300 0.211 0.000 1.006 289 V CB 2.516 34.497 31.823 0.264 0.000 1.058 289 V HN 0.619 nan 8.190 nan 0.000 0.440 290 R N -0.127 120.591 120.500 0.364 0.000 2.189 290 R HA 0.300 4.610 4.340 -0.050 0.000 0.203 290 R C 0.494 177.047 176.300 0.421 0.000 1.012 290 R CA 0.554 56.932 56.100 0.463 0.000 1.015 290 R CB 0.473 31.061 30.300 0.480 0.000 0.938 290 R HN 0.890 nan 8.270 nan 0.000 0.472 291 E N 0.732 121.090 120.200 0.262 0.000 2.218 291 E HA 0.279 4.599 4.350 -0.050 0.000 0.263 291 E C -1.443 175.145 176.600 -0.021 0.000 0.879 291 E CA -0.730 55.615 56.400 -0.092 0.000 0.762 291 E CB 0.943 30.641 29.700 -0.004 0.000 1.166 291 E HN -0.032 nan 8.360 nan 0.000 0.415 292 F N 0.042 119.869 119.950 -0.204 0.000 2.613 292 F HA 0.551 5.063 4.527 -0.026 0.000 0.310 292 F C -0.709 174.964 175.800 -0.212 0.000 1.085 292 F CA -1.092 56.826 58.000 -0.136 0.000 0.945 292 F CB 1.407 40.358 39.000 -0.082 0.000 1.298 292 F HN 0.007 nan 8.300 nan 0.000 0.455 293 T N 4.164 118.718 114.554 0.001 0.000 2.806 293 T HA 0.584 4.904 4.350 -0.050 0.000 0.290 293 T C -0.237 174.438 174.700 -0.042 0.000 0.966 293 T CA -0.478 61.556 62.100 -0.110 0.000 1.060 293 T CB 0.863 69.626 68.868 -0.175 0.000 0.927 293 T HN 0.481 nan 8.240 nan 0.000 0.485 294 M N 2.062 121.606 119.600 -0.094 0.000 2.572 294 M HA 0.655 5.104 4.480 -0.050 0.000 0.299 294 M C -0.886 175.268 176.300 -0.242 0.000 1.205 294 M CA -0.970 54.279 55.300 -0.086 0.000 0.876 294 M CB 2.373 34.992 32.600 0.032 0.000 1.728 294 M HN 0.662 nan 8.290 nan 0.000 0.458 295 A N 2.203 124.827 122.820 -0.327 0.000 2.323 295 A HA 0.613 4.903 4.320 -0.050 0.000 0.305 295 A C -0.590 176.864 177.584 -0.217 0.000 1.275 295 A CA -0.591 51.075 52.037 -0.620 0.000 0.804 295 A CB 0.801 18.797 19.000 -1.674 0.000 1.152 295 A HN 0.733 nan 8.150 nan 0.000 0.487 296 E N 1.547 121.687 120.200 -0.100 0.000 2.214 296 E HA 0.621 4.941 4.350 -0.050 0.000 0.274 296 E C -0.973 175.686 176.600 0.098 0.000 0.977 296 E CA -0.328 56.084 56.400 0.019 0.000 0.827 296 E CB 2.131 31.800 29.700 -0.053 0.000 1.130 296 E HN 0.636 nan 8.360 nan 0.000 0.394 297 I N 1.906 122.512 120.570 0.061 0.000 2.569 297 I HA 0.166 4.306 4.170 -0.050 0.000 0.290 297 I C -0.529 175.489 176.117 -0.164 0.000 1.088 297 I CA -0.635 60.671 61.300 0.009 0.000 1.047 297 I CB 1.952 39.970 38.000 0.030 0.000 1.237 297 I HN 0.136 nan 8.210 nan 0.000 0.421 298 E N 4.837 124.911 120.200 -0.209 0.000 2.255 298 E HA 0.236 4.556 4.350 -0.050 0.000 0.245 298 E C -1.133 175.091 176.600 -0.626 0.000 0.909 298 E CA -0.522 55.594 56.400 -0.473 0.000 0.747 298 E CB 1.470 30.886 29.700 -0.474 0.000 1.215 298 E HN 0.476 nan 8.360 nan 0.000 0.424 299 H N 2.686 121.361 119.070 -0.659 0.000 2.640 299 H HA 0.329 4.854 4.556 -0.052 0.000 0.297 299 H C -0.984 174.043 175.328 -0.502 0.000 1.073 299 H CA -0.420 55.368 56.048 -0.432 0.000 1.305 299 H CB 0.160 29.805 29.762 -0.195 0.000 1.404 299 H HN 0.195 nan 8.280 nan 0.000 0.459 300 F N 5.199 124.915 119.950 -0.389 0.000 2.408 300 F HA 0.386 4.881 4.527 -0.053 0.000 0.344 300 F C -0.267 175.504 175.800 -0.049 0.000 1.112 300 F CA -0.772 57.130 58.000 -0.163 0.000 1.096 300 F CB 1.267 40.135 39.000 -0.219 0.000 1.129 300 F HN 0.288 nan 8.300 nan 0.000 0.486 301 V N -0.761 119.327 119.914 0.290 0.000 2.876 301 V HA 0.476 4.565 4.120 -0.050 0.000 0.312 301 V C -0.926 175.315 176.094 0.245 0.000 1.085 301 V CA -1.021 61.436 62.300 0.262 0.000 0.945 301 V CB 1.928 33.918 31.823 0.279 0.000 1.017 301 V HN 0.621 nan 8.190 nan 0.000 0.428 302 D N 3.677 124.200 120.400 0.205 0.000 2.343 302 D HA 0.343 4.952 4.640 -0.050 0.000 0.255 302 D C -1.685 174.699 176.300 0.140 0.000 1.187 302 D CA -1.780 52.325 54.000 0.175 0.000 0.875 302 D CB 2.156 43.047 40.800 0.150 0.000 1.136 302 D HN 0.325 nan 8.370 nan 0.000 0.469 303 P HA -0.114 nan 4.420 nan 0.000 0.217 303 P C 1.180 178.523 177.300 0.073 0.000 1.148 303 P CA 0.939 64.099 63.100 0.101 0.000 0.828 303 P CB 0.329 32.086 31.700 0.095 0.000 0.783 304 S N -1.002 114.739 115.700 0.070 0.000 2.402 304 S HA -0.125 4.315 4.470 -0.050 0.000 0.229 304 S C 1.066 175.693 174.600 0.046 0.000 1.021 304 S CA 0.865 59.093 58.200 0.048 0.000 0.974 304 S CB -0.433 62.793 63.200 0.044 0.000 0.800 304 S HN 0.278 nan 8.310 nan 0.000 0.484 305 E N 1.008 121.245 120.200 0.062 0.000 3.167 305 E HA 0.220 4.540 4.350 -0.050 0.000 0.212 305 E C -0.771 175.866 176.600 0.063 0.000 1.143 305 E CA -0.123 56.309 56.400 0.053 0.000 1.002 305 E CB 0.225 29.959 29.700 0.057 0.000 1.315 305 E HN 0.045 nan 8.360 nan 0.000 0.422 306 K N 3.008 123.439 120.400 0.052 0.000 2.457 306 K HA 0.160 4.450 4.320 -0.050 0.000 0.226 306 K C -1.356 175.260 176.600 0.026 0.000 1.114 306 K CA -0.276 56.048 56.287 0.062 0.000 1.089 306 K CB 0.320 32.859 32.500 0.066 0.000 1.739 306 K HN 0.192 nan 8.250 nan 0.000 0.473 307 D N 0.968 121.379 120.400 0.018 0.000 2.764 307 D HA 0.049 4.659 4.640 -0.050 0.000 0.227 307 D C -1.488 174.805 176.300 -0.011 0.000 1.347 307 D CA -0.491 53.498 54.000 -0.017 0.000 0.953 307 D CB 0.757 41.536 40.800 -0.034 0.000 1.476 307 D HN 0.344 nan 8.370 nan 0.000 0.585 308 H N 4.692 123.705 119.070 -0.095 0.000 2.819 308 H HA 0.220 4.746 4.556 -0.051 0.000 0.303 308 H C -1.664 173.587 175.328 -0.128 0.000 1.058 308 H CA -1.352 54.608 56.048 -0.147 0.000 1.471 308 H CB 1.717 31.316 29.762 -0.271 0.000 1.480 308 H HN 0.303 nan 8.280 nan 0.000 0.517 309 P HA -0.034 nan 4.420 nan 0.000 0.223 309 P C 0.468 177.771 177.300 0.005 0.000 1.151 309 P CA 1.171 64.231 63.100 -0.067 0.000 0.787 309 P CB 0.334 31.957 31.700 -0.128 0.000 0.788 310 K N -2.013 118.419 120.400 0.054 0.000 2.387 310 K HA 0.125 4.415 4.320 -0.050 0.000 0.198 310 K C 1.253 177.863 176.600 0.017 0.000 1.022 310 K CA -0.194 56.081 56.287 -0.021 0.000 1.128 310 K CB -0.369 32.046 32.500 -0.140 0.000 0.853 310 K HN 0.049 nan 8.250 nan 0.000 0.523 311 F N 2.637 122.553 119.950 -0.056 0.000 2.171 311 F HA -0.198 4.298 4.527 -0.051 0.000 0.300 311 F C 1.919 177.741 175.800 0.038 0.000 1.090 311 F CA 1.654 59.678 58.000 0.040 0.000 1.293 311 F CB 0.094 39.096 39.000 0.004 0.000 1.013 311 F HN 0.045 nan 8.300 nan 0.000 0.486 312 Q N -0.077 119.745 119.800 0.037 0.000 2.297 312 Q HA -0.212 4.098 4.340 -0.050 0.000 0.208 312 Q C 1.356 177.279 176.000 -0.129 0.000 0.981 312 Q CA 1.290 57.060 55.803 -0.055 0.000 0.876 312 Q CB -0.369 28.382 28.738 0.021 0.000 0.921 312 Q HN 0.447 nan 8.270 nan 0.000 0.446 313 N N -0.600 118.045 118.700 -0.091 0.000 2.515 313 N HA -0.051 4.658 4.740 -0.050 0.000 0.185 313 N C 1.013 176.434 175.510 -0.148 0.000 1.109 313 N CA 0.714 53.719 53.050 -0.076 0.000 0.903 313 N CB 0.573 39.059 38.487 -0.002 0.000 0.969 313 N HN 0.099 nan 8.380 nan 0.000 0.450 314 V N -1.026 118.711 119.914 -0.294 0.000 3.497 314 V HA 0.290 4.380 4.120 -0.050 0.000 0.272 314 V C 1.885 177.676 176.094 -0.505 0.000 1.474 314 V CA 0.378 62.459 62.300 -0.366 0.000 1.025 314 V CB 0.108 31.688 31.823 -0.405 0.000 0.820 314 V HN 0.080 nan 8.190 nan 0.000 0.437 315 A N 0.342 122.757 122.820 -0.675 0.000 2.076 315 A HA -0.265 4.025 4.320 -0.050 0.000 0.220 315 A C 1.806 179.183 177.584 -0.345 0.000 1.160 315 A CA 2.234 53.902 52.037 -0.614 0.000 0.653 315 A CB -0.398 18.332 19.000 -0.450 0.000 0.801 315 A HN 0.498 nan 8.150 nan 0.000 0.455 316 D N -0.864 119.370 120.400 -0.277 0.000 2.355 316 D HA 0.099 4.709 4.640 -0.050 0.000 0.218 316 D C 0.454 176.581 176.300 -0.287 0.000 1.004 316 D CA -0.040 53.825 54.000 -0.226 0.000 0.880 316 D CB -0.183 40.546 40.800 -0.118 0.000 0.911 316 D HN 0.406 nan 8.370 nan 0.000 0.528 317 L N 0.807 121.852 121.223 -0.296 0.000 2.426 317 L HA 0.137 4.447 4.340 -0.050 0.000 0.271 317 L C -0.097 176.513 176.870 -0.432 0.000 1.169 317 L CA 0.091 54.767 54.840 -0.274 0.000 0.836 317 L CB 0.511 42.409 42.059 -0.268 0.000 1.112 317 L HN 0.063 nan 8.230 nan 0.000 0.465 318 H N 3.564 122.503 119.070 -0.218 0.000 2.504 318 H HA 0.584 5.110 4.556 -0.050 0.000 0.322 318 H C -0.810 174.327 175.328 -0.319 0.000 1.055 318 H CA -0.475 55.439 56.048 -0.224 0.000 1.231 318 H CB 1.087 30.760 29.762 -0.148 0.000 1.417 318 H HN 0.325 nan 8.280 nan 0.000 0.472 319 L N -0.327 120.764 121.223 -0.220 0.000 2.466 319 L HA 0.468 4.778 4.340 -0.050 0.000 0.258 319 L C -1.283 175.578 176.870 -0.015 0.000 0.973 319 L CA -1.312 53.434 54.840 -0.158 0.000 0.826 319 L CB 1.029 42.905 42.059 -0.305 0.000 1.372 319 L HN 0.353 nan 8.230 nan 0.000 0.409 320 Y N 2.480 122.885 120.300 0.175 0.000 2.537 320 Y HA 0.449 4.969 4.550 -0.051 0.000 0.339 320 Y C -0.023 176.034 175.900 0.262 0.000 1.066 320 Y CA 0.247 58.458 58.100 0.185 0.000 1.357 320 Y CB 0.494 39.048 38.460 0.156 0.000 1.175 320 Y HN 0.378 nan 8.280 nan 0.000 0.525 321 L N 4.836 126.266 121.223 0.345 0.000 2.296 321 L HA 0.261 4.571 4.340 -0.050 0.000 0.286 321 L C -0.919 176.240 176.870 0.481 0.000 1.023 321 L CA -0.911 54.189 54.840 0.433 0.000 0.812 321 L CB 1.042 43.264 42.059 0.273 0.000 1.223 321 L HN 0.547 nan 8.230 nan 0.000 0.421 322 Y N 3.452 123.953 120.300 0.336 0.000 2.915 322 Y HA 0.254 4.774 4.550 -0.051 0.000 0.350 322 Y C 0.643 176.567 175.900 0.041 0.000 1.061 322 Y CA -1.212 56.965 58.100 0.129 0.000 1.179 322 Y CB 0.586 39.044 38.460 -0.003 0.000 1.180 322 Y HN 0.657 nan 8.280 nan 0.000 0.605 323 S N 1.317 116.985 115.700 -0.054 0.000 2.596 323 S HA 0.412 4.852 4.470 -0.050 0.000 0.260 323 S C 1.485 175.857 174.600 -0.380 0.000 1.336 323 S CA -0.149 57.920 58.200 -0.218 0.000 0.993 323 S CB 1.283 64.489 63.200 0.010 0.000 0.923 323 S HN 0.679 nan 8.310 nan 0.000 0.567 324 A N 1.098 123.715 122.820 -0.338 0.000 1.930 324 A HA -0.032 4.258 4.320 -0.050 0.000 0.217 324 A C 2.182 179.639 177.584 -0.212 0.000 1.175 324 A CA 1.278 53.148 52.037 -0.278 0.000 0.627 324 A CB -0.740 18.124 19.000 -0.227 0.000 0.815 324 A HN 0.883 nan 8.150 nan 0.000 0.443 325 K N -0.239 120.068 120.400 -0.155 0.000 2.097 325 K HA -0.015 4.275 4.320 -0.050 0.000 0.205 325 K C 2.285 178.815 176.600 -0.116 0.000 1.050 325 K CA 1.010 57.235 56.287 -0.104 0.000 0.938 325 K CB -0.294 32.172 32.500 -0.056 0.000 0.718 325 K HN 0.427 nan 8.250 nan 0.000 0.442 326 A N 1.637 124.364 122.820 -0.156 0.000 1.933 326 A HA -0.226 4.064 4.320 -0.050 0.000 0.218 326 A C 2.036 179.482 177.584 -0.231 0.000 1.175 326 A CA 1.342 53.283 52.037 -0.159 0.000 0.628 326 A CB -0.413 18.493 19.000 -0.157 0.000 0.814 326 A HN 0.311 nan 8.150 nan 0.000 0.444 327 Q N -0.618 118.944 119.800 -0.397 0.000 2.119 327 Q HA -0.085 4.225 4.340 -0.050 0.000 0.201 327 Q C 2.078 177.996 176.000 -0.137 0.000 0.972 327 Q CA 1.484 57.088 55.803 -0.332 0.000 0.847 327 Q CB -0.301 28.203 28.738 -0.390 0.000 0.903 327 Q HN 0.487 nan 8.270 nan 0.000 0.433 328 V N 0.468 120.308 119.914 -0.123 0.000 2.427 328 V HA -0.191 3.899 4.120 -0.050 0.000 0.248 328 V C 1.904 177.973 176.094 -0.042 0.000 1.051 328 V CA 1.856 64.114 62.300 -0.070 0.000 1.048 328 V CB -0.211 31.573 31.823 -0.066 0.000 0.666 328 V HN 0.280 nan 8.190 nan 0.000 0.456 329 S N -0.177 115.496 115.700 -0.044 0.000 2.522 329 S HA 0.162 4.602 4.470 -0.050 0.000 0.227 329 S C 1.620 176.220 174.600 0.001 0.000 0.986 329 S CA 0.746 58.935 58.200 -0.017 0.000 0.929 329 S CB 0.130 63.322 63.200 -0.014 0.000 0.769 329 S HN 0.936 nan 8.310 nan 0.000 0.529 330 G N 1.641 110.442 108.800 0.001 0.000 2.176 330 G HA2 -0.258 3.671 3.960 -0.050 0.000 0.252 330 G HA3 -0.258 3.671 3.960 -0.050 0.000 0.252 330 G C -0.166 174.771 174.900 0.062 0.000 1.024 330 G CA -0.057 45.065 45.100 0.036 0.000 0.755 330 G HN 0.507 nan 8.290 nan 0.000 0.507 331 Q N -0.175 119.661 119.800 0.060 0.000 2.256 331 Q HA 0.613 4.923 4.340 -0.050 0.000 0.232 331 Q C 0.611 176.729 176.000 0.197 0.000 0.965 331 Q CA -0.140 55.720 55.803 0.095 0.000 0.908 331 Q CB 0.981 29.759 28.738 0.068 0.000 1.209 331 Q HN 0.327 nan 8.270 nan 0.000 0.489 332 S N 0.096 115.909 115.700 0.187 0.000 2.686 332 S HA 0.490 4.930 4.470 -0.050 0.000 0.270 332 S C -0.350 174.421 174.600 0.286 0.000 1.194 332 S CA -0.801 57.522 58.200 0.205 0.000 0.990 332 S CB 0.932 64.199 63.200 0.110 0.000 1.029 332 S HN 0.712 nan 8.310 nan 0.000 0.560 333 A N 0.901 123.798 122.820 0.127 0.000 2.483 333 A HA 0.399 4.689 4.320 -0.050 0.000 0.238 333 A C 0.365 178.132 177.584 0.305 0.000 1.070 333 A CA 0.123 52.278 52.037 0.197 0.000 0.770 333 A CB -0.076 18.887 19.000 -0.062 0.000 1.008 333 A HN 0.704 nan 8.150 nan 0.000 0.497 334 R N 2.126 122.826 120.500 0.335 0.000 2.507 334 R HA 0.275 4.585 4.340 -0.050 0.000 0.298 334 R C -0.537 175.823 176.300 0.100 0.000 1.087 334 R CA -0.503 55.725 56.100 0.214 0.000 0.917 334 R CB 0.767 31.164 30.300 0.162 0.000 1.173 334 R HN 0.848 nan 8.270 nan 0.000 0.472 335 K N 4.837 125.154 120.400 -0.139 0.000 2.382 335 K HA 0.157 4.447 4.320 -0.050 0.000 0.275 335 K C -0.904 175.610 176.600 -0.144 0.000 1.009 335 K CA 0.191 56.220 56.287 -0.430 0.000 0.970 335 K CB 0.738 32.714 32.500 -0.875 0.000 0.934 335 K HN 0.672 nan 8.250 nan 0.000 0.479 336 M N 3.102 122.642 119.600 -0.100 0.000 2.373 336 M HA 0.178 4.628 4.480 -0.050 0.000 0.290 336 M C -1.305 174.932 176.300 -0.104 0.000 1.143 336 M CA -0.594 54.681 55.300 -0.041 0.000 0.949 336 M CB 1.804 34.384 32.600 -0.033 0.000 1.756 336 M HN 0.708 nan 8.290 nan 0.000 0.494 337 R N 2.327 122.742 120.500 -0.141 0.000 2.442 337 R HA 0.142 4.452 4.340 -0.050 0.000 0.291 337 R C 0.703 176.848 176.300 -0.259 0.000 1.069 337 R CA -0.175 55.683 56.100 -0.403 0.000 1.022 337 R CB 0.782 30.827 30.300 -0.424 0.000 0.976 337 R HN 0.817 nan 8.270 nan 0.000 0.443 338 L N 5.351 126.395 121.223 -0.299 0.000 2.012 338 L HA -0.070 4.239 4.340 -0.050 0.000 0.210 338 L C 2.002 178.849 176.870 -0.038 0.000 1.073 338 L CA 2.568 57.287 54.840 -0.201 0.000 0.748 338 L CB -0.835 41.060 42.059 -0.273 0.000 0.891 338 L HN 0.944 nan 8.230 nan 0.000 0.431 339 G N -1.065 107.704 108.800 -0.053 0.000 2.491 339 G HA2 -0.323 3.607 3.960 -0.050 0.000 0.218 339 G HA3 -0.323 3.607 3.960 -0.050 0.000 0.218 339 G C 1.257 176.180 174.900 0.037 0.000 1.180 339 G CA 1.000 46.151 45.100 0.085 0.000 0.774 339 G HN 0.448 nan 8.290 nan 0.000 0.562 340 D N 1.032 121.414 120.400 -0.029 0.000 2.144 340 D HA -0.036 4.574 4.640 -0.050 0.000 0.199 340 D C 2.798 179.083 176.300 -0.025 0.000 0.984 340 D CA 1.196 55.182 54.000 -0.024 0.000 0.834 340 D CB -0.594 40.186 40.800 -0.033 0.000 0.955 340 D HN 0.323 nan 8.370 nan 0.000 0.465 341 A N 0.615 123.407 122.820 -0.046 0.000 1.883 341 A HA -0.180 4.109 4.320 -0.050 0.000 0.217 341 A C 2.487 180.040 177.584 -0.052 0.000 1.186 341 A CA 1.672 53.672 52.037 -0.060 0.000 0.624 341 A CB -0.759 18.164 19.000 -0.127 0.000 0.822 341 A HN 0.185 nan 8.150 nan 0.000 0.444 342 V N -0.141 119.746 119.914 -0.045 0.000 2.548 342 V HA -0.207 3.883 4.120 -0.050 0.000 0.249 342 V C 2.261 178.322 176.094 -0.054 0.000 1.055 342 V CA 1.900 64.153 62.300 -0.079 0.000 1.065 342 V CB -0.932 30.794 31.823 -0.161 0.000 0.681 342 V HN 0.614 nan 8.190 nan 0.000 0.462 343 E N 0.479 120.663 120.200 -0.026 0.000 2.033 343 E HA -0.295 4.025 4.350 -0.050 0.000 0.199 343 E C 2.219 178.811 176.600 -0.014 0.000 1.011 343 E CA 1.759 58.149 56.400 -0.016 0.000 0.815 343 E CB -0.218 29.480 29.700 -0.005 0.000 0.755 343 E HN 0.665 nan 8.360 nan 0.000 0.451 344 Q N -0.919 118.876 119.800 -0.008 0.000 2.472 344 Q HA 0.034 4.344 4.340 -0.050 0.000 0.208 344 Q C 1.046 177.050 176.000 0.007 0.000 0.958 344 Q CA 0.526 56.330 55.803 0.002 0.000 0.932 344 Q CB 0.684 29.427 28.738 0.008 0.000 1.007 344 Q HN 0.483 nan 8.270 nan 0.000 0.508 345 G N 0.462 109.262 108.800 0.001 0.000 2.157 345 G HA2 -0.283 3.647 3.960 -0.050 0.000 0.248 345 G HA3 -0.283 3.647 3.960 -0.050 0.000 0.248 345 G C 0.678 175.605 174.900 0.045 0.000 0.979 345 G CA 0.290 45.397 45.100 0.012 0.000 0.650 345 G HN 0.327 nan 8.290 nan 0.000 0.529 346 V N 0.191 120.138 119.914 0.055 0.000 2.759 346 V HA 0.284 4.374 4.120 -0.050 0.000 0.256 346 V C 1.224 177.431 176.094 0.188 0.000 1.080 346 V CA 1.789 64.170 62.300 0.135 0.000 1.101 346 V CB -0.100 31.803 31.823 0.133 0.000 0.698 346 V HN 0.429 nan 8.190 nan 0.000 0.477 347 I N 0.594 121.175 120.570 0.019 0.000 2.389 347 I HA 0.239 4.379 4.170 -0.050 0.000 0.288 347 I C 1.236 177.337 176.117 -0.026 0.000 0.999 347 I CA -0.062 61.201 61.300 -0.062 0.000 1.129 347 I CB 1.359 39.183 38.000 -0.294 0.000 1.288 347 I HN 0.100 nan 8.210 nan 0.000 0.444 348 N N 5.176 123.900 118.700 0.040 0.000 2.036 348 N HA -0.183 4.527 4.740 -0.050 0.000 0.195 348 N C 0.118 175.606 175.510 -0.036 0.000 1.037 348 N CA 1.568 54.631 53.050 0.022 0.000 0.855 348 N CB 0.254 38.776 38.487 0.059 0.000 1.033 348 N HN 0.840 nan 8.380 nan 0.000 0.423 349 N N -2.894 115.767 118.700 -0.066 0.000 2.647 349 N HA 0.120 4.830 4.740 -0.050 0.000 0.266 349 N C 0.410 175.788 175.510 -0.219 0.000 1.373 349 N CA -0.428 52.552 53.050 -0.116 0.000 0.807 349 N CB 1.180 39.638 38.487 -0.049 0.000 1.513 349 N HN -0.111 nan 8.380 nan 0.000 0.505 350 T N -2.950 111.401 114.554 -0.338 0.000 2.985 350 T HA -0.057 4.263 4.350 -0.050 0.000 0.266 350 T C 1.534 176.121 174.700 -0.188 0.000 1.076 350 T CA 1.001 62.716 62.100 -0.642 0.000 1.135 350 T CB -0.531 67.823 68.868 -0.856 0.000 0.890 350 T HN 0.242 nan 8.240 nan 0.000 0.480 351 V N 1.529 121.426 119.914 -0.028 0.000 2.295 351 V HA -0.058 4.032 4.120 -0.050 0.000 0.246 351 V C 2.654 178.862 176.094 0.189 0.000 1.049 351 V CA 1.567 63.939 62.300 0.121 0.000 1.024 351 V CB -0.831 31.087 31.823 0.157 0.000 0.648 351 V HN 0.438 nan 8.190 nan 0.000 0.447 352 L N 0.298 121.587 121.223 0.109 0.000 2.017 352 L HA -0.108 4.202 4.340 -0.050 0.000 0.208 352 L C 2.485 179.389 176.870 0.056 0.000 1.073 352 L CA 1.993 56.895 54.840 0.103 0.000 0.745 352 L CB -0.909 41.167 42.059 0.029 0.000 0.894 352 L HN 0.457 nan 8.230 nan 0.000 0.432 353 G N -1.399 107.396 108.800 -0.007 0.000 2.442 353 G HA2 -0.380 3.550 3.960 -0.050 0.000 0.219 353 G HA3 -0.380 3.550 3.960 -0.050 0.000 0.219 353 G C 1.378 176.387 174.900 0.181 0.000 1.141 353 G CA 0.957 46.087 45.100 0.050 0.000 0.763 353 G HN 0.458 nan 8.290 nan 0.000 0.554 354 Y N 0.941 121.307 120.300 0.109 0.000 2.070 354 Y HA -0.134 4.386 4.550 -0.051 0.000 0.280 354 Y C 2.438 178.194 175.900 -0.239 0.000 1.148 354 Y CA 1.690 59.708 58.100 -0.136 0.000 1.125 354 Y CB -0.549 37.591 38.460 -0.534 0.000 0.975 354 Y HN 0.172 nan 8.280 nan 0.000 0.492 355 F N -0.056 119.822 119.950 -0.120 0.000 2.171 355 F HA -0.231 4.267 4.527 -0.049 0.000 0.300 355 F C 2.392 178.167 175.800 -0.041 0.000 1.090 355 F CA 1.591 59.536 58.000 -0.092 0.000 1.293 355 F CB -0.768 38.242 39.000 0.017 0.000 1.013 355 F HN 0.058 nan 8.300 nan 0.000 0.486 356 I N -0.258 120.340 120.570 0.048 0.000 2.151 356 I HA -0.293 3.846 4.170 -0.050 0.000 0.243 356 I C 2.757 178.760 176.117 -0.189 0.000 1.080 356 I CA 1.706 62.902 61.300 -0.174 0.000 1.339 356 I CB -1.257 36.451 38.000 -0.487 0.000 1.039 356 I HN 0.225 nan 8.210 nan 0.000 0.409 357 G N 0.406 109.080 108.800 -0.211 0.000 2.402 357 G HA2 -0.186 3.744 3.960 -0.050 0.000 0.216 357 G HA3 -0.186 3.744 3.960 -0.050 0.000 0.216 357 G C 1.819 176.718 174.900 -0.002 0.000 1.162 357 G CA 0.199 45.207 45.100 -0.154 0.000 0.777 357 G HN 0.184 nan 8.290 nan 0.000 0.539 358 R N 0.078 120.494 120.500 -0.140 0.000 2.081 358 R HA 0.032 4.342 4.340 -0.050 0.000 0.235 358 R C 2.599 179.169 176.300 0.450 0.000 1.131 358 R CA 0.855 56.937 56.100 -0.030 0.000 0.960 358 R CB -0.621 29.509 30.300 -0.283 0.000 0.856 358 R HN 0.433 nan 8.270 nan 0.000 0.436 359 I N -0.288 120.641 120.570 0.598 0.000 2.179 359 I HA -0.336 3.804 4.170 -0.050 0.000 0.242 359 I C 2.420 178.953 176.117 0.693 0.000 1.088 359 I CA 1.417 63.203 61.300 0.810 0.000 1.357 359 I CB -0.525 37.873 38.000 0.664 0.000 1.051 359 I HN 0.103 nan 8.210 nan 0.000 0.409 360 Y N 1.753 122.376 120.300 0.538 0.000 2.114 360 Y HA -0.278 4.242 4.550 -0.049 0.000 0.282 360 Y C 2.329 178.403 175.900 0.290 0.000 1.165 360 Y CA 1.705 60.095 58.100 0.484 0.000 1.148 360 Y CB -0.330 38.376 38.460 0.411 0.000 0.972 360 Y HN 0.020 nan 8.280 nan 0.000 0.504 361 L N -1.171 120.219 121.223 0.279 0.000 2.017 361 L HA -0.255 4.055 4.340 -0.050 0.000 0.208 361 L C 2.375 179.209 176.870 -0.061 0.000 1.073 361 L CA 1.800 56.706 54.840 0.110 0.000 0.745 361 L CB -0.942 41.265 42.059 0.247 0.000 0.894 361 L HN 0.344 nan 8.230 nan 0.000 0.432 362 Y N 0.893 121.107 120.300 -0.142 0.000 2.070 362 Y HA -0.282 4.237 4.550 -0.051 0.000 0.280 362 Y C 2.366 178.201 175.900 -0.108 0.000 1.148 362 Y CA 1.671 59.552 58.100 -0.365 0.000 1.125 362 Y CB -0.419 38.075 38.460 0.057 0.000 0.975 362 Y HN -0.020 nan 8.280 nan 0.000 0.492 363 L N -0.400 120.794 121.223 -0.049 0.000 2.046 363 L HA -0.236 4.074 4.340 -0.050 0.000 0.208 363 L C 2.519 179.241 176.870 -0.247 0.000 1.077 363 L CA 2.017 56.763 54.840 -0.156 0.000 0.747 363 L CB -1.251 40.833 42.059 0.042 0.000 0.896 363 L HN 0.400 nan 8.230 nan 0.000 0.432 364 T N -2.691 111.692 114.554 -0.286 0.000 2.867 364 T HA -0.221 4.099 4.350 -0.050 0.000 0.268 364 T C 1.837 176.421 174.700 -0.194 0.000 1.057 364 T CA 1.082 63.026 62.100 -0.260 0.000 1.136 364 T CB -0.183 68.448 68.868 -0.394 0.000 0.874 364 T HN 0.251 nan 8.240 nan 0.000 0.466 365 K N 0.830 121.085 120.400 -0.242 0.000 2.148 365 K HA 0.004 4.294 4.320 -0.050 0.000 0.204 365 K C 2.039 178.508 176.600 -0.219 0.000 1.050 365 K CA 0.891 57.056 56.287 -0.205 0.000 0.942 365 K CB -0.197 32.157 32.500 -0.243 0.000 0.724 365 K HN 0.285 nan 8.250 nan 0.000 0.446 366 V N -0.278 119.431 119.914 -0.341 0.000 2.809 366 V HA -0.006 4.084 4.120 -0.050 0.000 0.256 366 V C 1.453 177.452 176.094 -0.159 0.000 1.080 366 V CA 1.482 63.596 62.300 -0.310 0.000 1.102 366 V CB 0.295 31.833 31.823 -0.475 0.000 0.705 366 V HN 0.710 nan 8.190 nan 0.000 0.475 367 G N -0.388 108.342 108.800 -0.116 0.000 2.273 367 G HA2 -0.117 3.813 3.960 -0.050 0.000 0.162 367 G HA3 -0.117 3.813 3.960 -0.050 0.000 0.162 367 G C 0.004 174.904 174.900 0.001 0.000 1.006 367 G CA -0.415 44.674 45.100 -0.019 0.000 0.704 367 G HN 0.379 nan 8.290 nan 0.000 0.487 368 I N 2.567 123.109 120.570 -0.046 0.000 2.471 368 I HA 0.274 4.414 4.170 -0.050 0.000 0.286 368 I C 0.651 176.851 176.117 0.138 0.000 1.079 368 I CA -0.166 61.155 61.300 0.035 0.000 1.398 368 I CB 1.328 39.290 38.000 -0.064 0.000 1.403 368 I HN 0.044 nan 8.210 nan 0.000 0.530 369 S N 8.394 124.287 115.700 0.321 0.000 2.510 369 S HA 0.113 4.553 4.470 -0.050 0.000 0.279 369 S C -1.509 173.178 174.600 0.145 0.000 1.284 369 S CA -0.926 57.355 58.200 0.136 0.000 1.059 369 S CB 0.946 64.133 63.200 -0.021 0.000 0.901 369 S HN 0.470 nan 8.310 nan 0.000 0.491 370 P HA -0.037 nan 4.420 nan 0.000 0.220 370 P C 0.337 177.825 177.300 0.314 0.000 1.148 370 P CA 0.833 64.111 63.100 0.296 0.000 0.803 370 P CB 0.132 32.041 31.700 0.348 0.000 0.782 371 D N -0.952 119.559 120.400 0.185 0.000 2.340 371 D HA 0.022 4.632 4.640 -0.050 0.000 0.220 371 D C 0.867 177.163 176.300 -0.007 0.000 1.039 371 D CA 0.642 54.699 54.000 0.095 0.000 0.866 371 D CB -0.036 40.812 40.800 0.079 0.000 0.913 371 D HN 0.262 nan 8.370 nan 0.000 0.523 372 K N 0.002 120.425 120.400 0.038 0.000 2.506 372 K HA 0.284 4.573 4.320 -0.050 0.000 0.204 372 K C -0.118 176.635 176.600 0.255 0.000 1.045 372 K CA -0.136 56.159 56.287 0.014 0.000 1.074 372 K CB 1.606 33.945 32.500 -0.269 0.000 0.842 372 K HN -0.017 nan 8.250 nan 0.000 0.514 373 L N 2.273 123.679 121.223 0.306 0.000 2.349 373 L HA 0.476 4.786 4.340 -0.050 0.000 0.278 373 L C -1.012 176.035 176.870 0.295 0.000 0.996 373 L CA -0.707 54.323 54.840 0.317 0.000 0.825 373 L CB 0.965 43.181 42.059 0.261 0.000 1.243 373 L HN 0.121 nan 8.230 nan 0.000 0.412 374 R N 2.887 123.486 120.500 0.166 0.000 2.808 374 R HA 0.564 4.874 4.340 -0.050 0.000 0.272 374 R C -1.958 174.322 176.300 -0.033 0.000 0.995 374 R CA -0.734 55.422 56.100 0.093 0.000 0.917 374 R CB 1.531 31.707 30.300 -0.206 0.000 1.217 374 R HN 0.319 nan 8.270 nan 0.000 0.471 375 F N 1.455 121.576 119.950 0.284 0.000 2.332 375 F HA 0.462 4.958 4.527 -0.051 0.000 0.368 375 F C 0.507 176.597 175.800 0.483 0.000 1.110 375 F CA -0.607 57.620 58.000 0.379 0.000 1.087 375 F CB 1.550 40.773 39.000 0.371 0.000 1.235 375 F HN 0.358 nan 8.300 nan 0.000 0.470 376 R N 3.537 124.299 120.500 0.437 0.000 2.407 376 R HA 0.378 4.688 4.340 -0.050 0.000 0.303 376 R C -0.861 175.454 176.300 0.025 0.000 0.981 376 R CA -0.561 55.698 56.100 0.264 0.000 0.905 376 R CB 1.392 31.826 30.300 0.223 0.000 1.099 376 R HN 0.727 nan 8.270 nan 0.000 0.459 377 Q N 4.012 123.556 119.800 -0.426 0.000 2.333 377 Q HA 0.201 4.511 4.340 -0.050 0.000 0.265 377 Q C -0.942 174.817 176.000 -0.403 0.000 0.989 377 Q CA -0.706 54.590 55.803 -0.844 0.000 0.842 377 Q CB 1.020 28.669 28.738 -1.816 0.000 1.262 377 Q HN 0.820 nan 8.270 nan 0.000 0.451 378 H N 2.677 121.561 119.070 -0.310 0.000 2.548 378 H HA 0.416 4.942 4.556 -0.051 0.000 0.366 378 H C -0.052 175.158 175.328 -0.197 0.000 1.433 378 H CA -0.774 55.157 56.048 -0.195 0.000 1.443 378 H CB 0.626 30.319 29.762 -0.115 0.000 1.594 378 H HN 0.572 nan 8.280 nan 0.000 0.608 379 M N -0.600 118.997 119.600 -0.004 0.000 2.090 379 M HA 0.335 4.785 4.480 -0.050 0.000 0.277 379 M C -0.895 175.387 176.300 -0.030 0.000 0.935 379 M CA -0.611 54.652 55.300 -0.061 0.000 0.966 379 M CB 2.225 34.775 32.600 -0.083 0.000 1.635 379 M HN 0.834 nan 8.290 nan 0.000 0.446 380 E N -0.510 119.671 120.200 -0.032 0.000 2.883 380 E HA -0.275 4.045 4.350 -0.050 0.000 0.271 380 E C -0.020 176.576 176.600 -0.006 0.000 1.049 380 E CA 1.271 57.659 56.400 -0.021 0.000 0.817 380 E CB -1.742 27.941 29.700 -0.029 0.000 1.407 380 E HN 1.006 nan 8.360 nan 0.000 0.434 388 C N -1.657 117.652 119.300 0.015 0.000 3.302 388 C HA 0.706 5.136 4.460 -0.050 0.000 0.347 388 C C -1.323 173.645 174.990 -0.036 0.000 1.218 388 C CA -0.635 58.389 59.018 0.009 0.000 1.234 388 C CB 1.126 28.880 27.740 0.022 0.000 1.551 388 C HN 0.370 nan 8.230 nan 0.000 0.501 389 D N 1.282 121.669 120.400 -0.021 0.000 2.456 389 D HA 0.543 5.153 4.640 -0.050 0.000 0.219 389 D C -0.316 175.956 176.300 -0.048 0.000 1.126 389 D CA 0.083 54.059 54.000 -0.040 0.000 0.890 389 D CB 0.345 41.176 40.800 0.051 0.000 1.025 389 D HN 0.800 nan 8.370 nan 0.000 0.511 390 C N 3.969 123.113 119.300 -0.260 0.000 2.382 390 C HA 0.573 5.003 4.460 -0.050 0.000 0.327 390 C C -0.518 174.240 174.990 -0.387 0.000 1.250 390 C CA -0.907 57.943 59.018 -0.280 0.000 1.707 390 C CB -0.048 27.422 27.740 -0.450 0.000 2.272 390 C HN 0.600 nan 8.230 nan 0.000 0.506 391 W N 1.734 122.992 121.300 -0.071 0.000 2.554 391 W HA 0.391 5.020 4.660 -0.052 0.000 0.324 391 W C -0.747 175.880 176.519 0.181 0.000 1.018 391 W CA -0.132 57.253 57.345 0.067 0.000 1.243 391 W CB 1.015 30.538 29.460 0.104 0.000 1.345 391 W HN 0.544 nan 8.180 nan 0.000 0.441 392 D N 2.490 123.125 120.400 0.392 0.000 2.233 392 D HA 0.440 5.050 4.640 -0.050 0.000 0.240 392 D C -0.127 176.316 176.300 0.237 0.000 1.074 392 D CA -0.313 53.863 54.000 0.295 0.000 0.838 392 D CB 1.635 42.576 40.800 0.235 0.000 1.124 392 D HN 0.346 nan 8.370 nan 0.000 0.475 393 A N 3.138 126.024 122.820 0.109 0.000 2.404 393 A HA 0.296 4.586 4.320 -0.050 0.000 0.273 393 A C 0.252 177.782 177.584 -0.089 0.000 1.144 393 A CA -0.121 51.787 52.037 -0.215 0.000 0.806 393 A CB 0.229 19.078 19.000 -0.251 0.000 1.080 393 A HN 0.490 nan 8.150 nan 0.000 0.509 394 E N 1.204 121.369 120.200 -0.059 0.000 2.256 394 E HA 0.568 4.888 4.350 -0.050 0.000 0.267 394 E C -0.713 176.061 176.600 0.291 0.000 0.892 394 E CA -0.651 55.830 56.400 0.135 0.000 0.775 394 E CB 2.063 31.879 29.700 0.194 0.000 1.207 394 E HN 0.717 nan 8.360 nan 0.000 0.420 395 S N 1.460 117.340 115.700 0.300 0.000 2.526 395 S HA 0.409 4.849 4.470 -0.050 0.000 0.293 395 S C -0.599 173.970 174.600 -0.052 0.000 1.092 395 S CA -1.067 57.260 58.200 0.212 0.000 0.980 395 S CB 1.774 65.004 63.200 0.050 0.000 1.048 395 S HN 0.419 nan 8.310 nan 0.000 0.483 396 K N 1.989 122.058 120.400 -0.551 0.000 2.316 396 K HA 0.414 4.704 4.320 -0.050 0.000 0.289 396 K C 0.094 176.510 176.600 -0.308 0.000 1.070 396 K CA -0.037 55.645 56.287 -1.008 0.000 0.928 396 K CB 0.236 31.802 32.500 -1.556 0.000 1.039 396 K HN 0.908 nan 8.250 nan 0.000 0.480 397 T N -0.765 113.668 114.554 -0.201 0.000 2.773 397 T HA 0.160 4.480 4.350 -0.050 0.000 0.278 397 T C 1.111 175.789 174.700 -0.036 0.000 1.011 397 T CA -0.338 61.766 62.100 0.008 0.000 1.014 397 T CB 1.155 70.147 68.868 0.207 0.000 1.293 397 T HN 0.417 nan 8.240 nan 0.000 0.554 398 S N -0.894 114.806 115.700 -0.001 0.000 2.547 398 S HA -0.033 4.407 4.470 -0.050 0.000 0.235 398 S C 0.922 175.369 174.600 -0.254 0.000 0.980 398 S CA 0.306 58.412 58.200 -0.156 0.000 0.941 398 S CB -0.965 62.101 63.200 -0.223 0.000 0.763 398 S HN 0.709 nan 8.310 nan 0.000 0.532 399 Y N 2.035 122.337 120.300 0.003 0.000 2.458 399 Y HA 0.466 4.987 4.550 -0.047 0.000 0.256 399 Y C 1.698 177.587 175.900 -0.020 0.000 1.159 399 Y CA -0.011 58.088 58.100 -0.002 0.000 1.261 399 Y CB 0.115 38.575 38.460 -0.000 0.000 1.119 399 Y HN 0.529 nan 8.280 nan 0.000 0.524 400 G N -0.384 108.437 108.800 0.036 0.000 2.512 400 G HA2 -0.250 3.680 3.960 -0.050 0.000 0.210 400 G HA3 -0.250 3.680 3.960 -0.050 0.000 0.210 400 G C -1.181 173.657 174.900 -0.103 0.000 1.295 400 G CA -1.016 44.051 45.100 -0.056 0.000 0.934 400 G HN 0.182 nan 8.290 nan 0.000 0.554 401 W N 1.188 122.510 121.300 0.036 0.000 2.419 401 W HA 0.565 5.194 4.660 -0.052 0.000 0.312 401 W C 1.121 177.651 176.519 0.019 0.000 1.323 401 W CA 0.067 57.422 57.345 0.017 0.000 1.293 401 W CB 0.317 29.766 29.460 -0.020 0.000 1.324 401 W HN 0.572 nan 8.180 nan 0.000 0.512 402 I N -0.380 120.318 120.570 0.213 0.000 2.693 402 I HA 0.466 4.606 4.170 -0.050 0.000 0.303 402 I C -0.223 175.946 176.117 0.087 0.000 1.025 402 I CA -1.362 60.002 61.300 0.108 0.000 1.086 402 I CB 1.957 39.977 38.000 0.034 0.000 1.268 402 I HN 0.303 nan 8.210 nan 0.000 0.440 403 E N 5.070 125.288 120.200 0.030 0.000 2.129 403 E HA 0.219 4.539 4.350 -0.050 0.000 0.283 403 E C 0.389 176.972 176.600 -0.028 0.000 1.080 403 E CA -0.306 56.098 56.400 0.007 0.000 0.867 403 E CB 0.917 30.605 29.700 -0.019 0.000 1.056 403 E HN 0.817 nan 8.360 nan 0.000 0.404 404 I N 1.475 122.033 120.570 -0.020 0.000 3.339 404 I HA 0.193 4.333 4.170 -0.050 0.000 0.285 404 I C -0.122 175.967 176.117 -0.046 0.000 1.201 404 I CA -0.172 61.108 61.300 -0.033 0.000 1.434 404 I CB 0.728 38.720 38.000 -0.014 0.000 1.152 404 I HN 0.100 nan 8.210 nan 0.000 0.443 405 V N 2.317 122.192 119.914 -0.065 0.000 2.524 405 V HA 0.657 4.746 4.120 -0.050 0.000 0.297 405 V C 0.027 176.054 176.094 -0.113 0.000 1.035 405 V CA -0.571 61.623 62.300 -0.178 0.000 0.867 405 V CB 1.363 33.023 31.823 -0.272 0.000 1.004 405 V HN 0.333 nan 8.190 nan 0.000 0.426 406 G N 2.368 111.092 108.800 -0.126 0.000 2.377 406 G HA2 0.477 4.407 3.960 -0.050 0.000 0.316 406 G HA3 0.477 4.407 3.960 -0.050 0.000 0.316 406 G C -0.533 174.342 174.900 -0.042 0.000 1.115 406 G CA -0.317 44.773 45.100 -0.016 0.000 0.952 406 G HN 0.804 nan 8.290 nan 0.000 0.441 407 C N 3.273 122.603 119.300 0.050 0.000 2.303 407 C HA 0.861 5.291 4.460 -0.050 0.000 0.326 407 C C 0.435 175.470 174.990 0.076 0.000 1.285 407 C CA -0.218 58.818 59.018 0.031 0.000 1.675 407 C CB -0.296 27.500 27.740 0.093 0.000 2.289 407 C HN 0.971 nan 8.230 nan 0.000 0.512 408 A N 5.067 127.892 122.820 0.009 0.000 2.359 408 A HA 0.598 4.888 4.320 -0.050 0.000 0.303 408 A C -1.026 176.547 177.584 -0.019 0.000 1.066 408 A CA -0.289 51.756 52.037 0.013 0.000 0.730 408 A CB 0.908 19.916 19.000 0.014 0.000 1.211 408 A HN 0.862 nan 8.150 nan 0.000 0.439 409 D N 1.411 121.823 120.400 0.019 0.000 2.249 409 D HA 0.482 5.092 4.640 -0.050 0.000 0.246 409 D C -0.308 175.993 176.300 0.001 0.000 1.114 409 D CA 0.143 54.148 54.000 0.010 0.000 0.854 409 D CB 0.682 41.518 40.800 0.060 0.000 1.132 409 D HN 0.507 nan 8.370 nan 0.000 0.461 410 R N 2.284 122.766 120.500 -0.031 0.000 2.574 410 R HA 0.330 4.639 4.340 -0.050 0.000 0.288 410 R C 0.333 176.699 176.300 0.108 0.000 1.004 410 R CA -0.465 55.639 56.100 0.006 0.000 0.895 410 R CB 1.489 31.738 30.300 -0.084 0.000 1.191 410 R HN 0.303 nan 8.270 nan 0.000 0.444 411 S N 0.816 116.633 115.700 0.195 0.000 2.517 411 S HA 0.095 4.535 4.470 -0.050 0.000 0.228 411 S C 0.094 174.883 174.600 0.315 0.000 1.060 411 S CA 0.241 58.589 58.200 0.246 0.000 0.937 411 S CB 0.504 63.788 63.200 0.140 0.000 0.840 411 S HN 0.615 nan 8.310 nan 0.000 0.546 412 C N 3.230 122.658 119.300 0.213 0.000 2.223 412 C HA 0.744 5.174 4.460 -0.050 0.000 0.324 412 C C -0.171 174.906 174.990 0.145 0.000 1.196 412 C CA -1.143 57.930 59.018 0.091 0.000 1.628 412 C CB -1.794 25.966 27.740 0.034 0.000 2.229 412 C HN 0.640 nan 8.230 nan 0.000 0.486 413 Y N -0.267 119.997 120.300 -0.060 0.000 3.048 413 Y HA 0.586 5.106 4.550 -0.051 0.000 0.305 413 Y C 0.626 176.410 175.900 -0.193 0.000 1.538 413 Y CA -1.357 56.679 58.100 -0.106 0.000 1.082 413 Y CB 0.011 38.406 38.460 -0.108 0.000 1.388 413 Y HN 0.212 nan 8.280 nan 0.000 0.557 414 D N 0.016 120.346 120.400 -0.117 0.000 2.363 414 D HA 0.016 4.626 4.640 -0.050 0.000 0.226 414 D C 1.666 177.774 176.300 -0.319 0.000 1.020 414 D CA 0.585 54.460 54.000 -0.209 0.000 0.892 414 D CB 0.163 40.955 40.800 -0.013 0.000 0.900 414 D HN 0.612 nan 8.370 nan 0.000 0.531 415 L N 0.749 121.590 121.223 -0.637 0.000 2.072 415 L HA -0.137 4.173 4.340 -0.050 0.000 0.205 415 L C 1.974 178.574 176.870 -0.451 0.000 1.079 415 L CA 1.171 55.689 54.840 -0.538 0.000 0.752 415 L CB -0.158 41.525 42.059 -0.626 0.000 0.906 415 L HN -0.027 nan 8.230 nan 0.000 0.436 416 S N -2.023 113.350 115.700 -0.545 0.000 2.515 416 S HA -0.120 4.320 4.470 -0.050 0.000 0.231 416 S C 1.813 176.261 174.600 -0.253 0.000 0.987 416 S CA 0.620 58.584 58.200 -0.393 0.000 0.936 416 S CB -1.063 61.963 63.200 -0.291 0.000 0.766 416 S HN 0.559 nan 8.310 nan 0.000 0.528 417 C N 1.356 120.496 119.300 -0.266 0.000 2.486 417 C HA 0.153 4.583 4.460 -0.050 0.000 0.279 417 C C 2.408 177.241 174.990 -0.261 0.000 1.302 417 C CA 0.515 59.377 59.018 -0.259 0.000 1.720 417 C CB -1.429 26.118 27.740 -0.323 0.000 2.030 417 C HN 0.685 nan 8.230 nan 0.000 0.490 418 H N 0.967 119.955 119.070 -0.137 0.000 2.521 418 H HA 0.079 4.606 4.556 -0.049 0.000 0.286 418 H C 2.228 177.494 175.328 -0.103 0.000 1.034 418 H CA 1.283 57.277 56.048 -0.090 0.000 1.278 418 H CB -0.085 29.640 29.762 -0.061 0.000 1.386 418 H HN 0.495 nan 8.280 nan 0.000 0.567 419 A N 0.542 123.321 122.820 -0.069 0.000 2.067 419 A HA 0.053 4.343 4.320 -0.050 0.000 0.217 419 A C 1.342 178.894 177.584 -0.052 0.000 1.156 419 A CA 0.455 52.429 52.037 -0.105 0.000 0.683 419 A CB 0.167 19.012 19.000 -0.258 0.000 0.808 419 A HN 0.211 nan 8.150 nan 0.000 0.455 506 R N -0.644 119.671 120.500 -0.308 0.000 3.015 506 R HA 0.917 5.227 4.340 -0.050 0.000 0.258 506 R C -0.903 175.040 176.300 -0.595 0.000 1.172 506 R CA 0.059 55.963 56.100 -0.326 0.000 1.003 506 R CB 0.067 30.383 30.300 0.027 0.000 1.326 506 R HN 0.542 nan 8.270 nan 0.000 0.449 507 F N -0.252 119.724 119.950 0.044 0.000 2.697 507 F HA 0.632 5.130 4.527 -0.048 0.000 0.386 507 F C 0.400 176.334 175.800 0.222 0.000 1.154 507 F CA -0.751 57.289 58.000 0.066 0.000 1.108 507 F CB 2.132 41.147 39.000 0.024 0.000 1.429 507 F HN 0.451 nan 8.300 nan 0.000 0.509 508 Q N 1.215 121.275 119.800 0.433 0.000 2.327 508 Q HA 0.292 4.602 4.340 -0.050 0.000 0.270 508 Q C -1.252 174.871 176.000 0.205 0.000 1.022 508 Q CA -1.034 54.952 55.803 0.305 0.000 0.773 508 Q CB 2.345 31.278 28.738 0.325 0.000 1.251 508 Q HN 0.439 nan 8.270 nan 0.000 0.457 509 K N 0.697 121.186 120.400 0.148 0.000 2.218 509 K HA 0.434 4.724 4.320 -0.050 0.000 0.276 509 K C -0.092 176.559 176.600 0.086 0.000 1.022 509 K CA -0.396 55.951 56.287 0.101 0.000 0.946 509 K CB 1.410 33.955 32.500 0.075 0.000 1.000 509 K HN 0.314 nan 8.250 nan 0.000 0.468 510 T N 1.437 116.041 114.554 0.083 0.000 2.893 510 T HA 0.272 4.592 4.350 -0.050 0.000 0.279 510 T C 1.150 175.870 174.700 0.033 0.000 0.991 510 T CA -0.897 61.252 62.100 0.082 0.000 0.950 510 T CB 0.496 69.445 68.868 0.134 0.000 1.223 510 T HN 0.644 nan 8.240 nan 0.000 0.585 511 L N 0.097 121.311 121.223 -0.016 0.000 2.313 511 L HA 0.113 4.423 4.340 -0.050 0.000 0.214 511 L C 0.977 177.695 176.870 -0.253 0.000 1.119 511 L CA 0.995 55.733 54.840 -0.171 0.000 0.809 511 L CB -0.250 41.631 42.059 -0.296 0.000 0.933 511 L HN 0.684 nan 8.230 nan 0.000 0.449 512 Y N -1.043 119.265 120.300 0.013 0.000 2.645 512 Y HA 0.230 4.750 4.550 -0.051 0.000 0.307 512 Y C 0.742 176.646 175.900 0.007 0.000 1.151 512 Y CA -0.537 57.568 58.100 0.009 0.000 1.291 512 Y CB 0.042 38.507 38.460 0.008 0.000 1.135 512 Y HN -0.224 nan 8.280 nan 0.000 0.523 513 V N 1.412 121.382 119.914 0.093 0.000 6.029 513 V HA -0.305 3.785 4.120 -0.050 0.000 0.242 513 V C -0.079 176.056 176.094 0.068 0.000 0.637 513 V CA 1.329 63.667 62.300 0.064 0.000 0.603 513 V CB -1.317 30.534 31.823 0.047 0.000 0.423 513 V HN 0.649 nan 8.190 nan 0.000 0.520 514 E N 1.741 121.983 120.200 0.071 0.000 2.260 514 E HA 0.433 4.753 4.350 -0.050 0.000 0.266 514 E C -0.208 176.411 176.600 0.033 0.000 0.887 514 E CA -0.832 55.596 56.400 0.047 0.000 0.777 514 E CB 1.468 31.207 29.700 0.065 0.000 1.205 514 E HN 0.664 nan 8.360 nan 0.000 0.414 515 E N 2.614 122.802 120.200 -0.019 0.000 2.217 515 E HA 0.189 4.509 4.350 -0.050 0.000 0.279 515 E C -0.740 175.809 176.600 -0.085 0.000 1.068 515 E CA -0.218 56.149 56.400 -0.054 0.000 0.882 515 E CB 1.477 31.073 29.700 -0.173 0.000 1.039 515 E HN 0.167 nan 8.360 nan 0.000 0.418 516 V N 4.434 124.375 119.914 0.045 0.000 2.384 516 V HA 0.128 4.218 4.120 -0.050 0.000 0.287 516 V C -0.020 176.217 176.094 0.239 0.000 1.020 516 V CA -0.901 61.456 62.300 0.095 0.000 0.850 516 V CB 1.648 33.557 31.823 0.144 0.000 0.987 516 V HN 0.404 nan 8.190 nan 0.000 0.436 517 V N 7.720 127.759 119.914 0.208 0.000 2.372 517 V HA 0.262 4.351 4.120 -0.050 0.000 0.261 517 V C -1.781 174.478 176.094 0.275 0.000 1.055 517 V CA -1.416 61.113 62.300 0.382 0.000 0.930 517 V CB 0.600 32.610 31.823 0.311 0.000 1.031 517 V HN 0.732 nan 8.190 nan 0.000 0.479 518 P HA 0.270 nan 4.420 nan 0.000 0.279 518 P C -0.482 177.089 177.300 0.453 0.000 1.239 518 P CA -0.492 62.832 63.100 0.373 0.000 0.789 518 P CB 0.954 32.937 31.700 0.472 0.000 0.933 519 N N 0.512 119.424 118.700 0.353 0.000 2.399 519 N HA 0.311 5.021 4.740 -0.050 0.000 0.250 519 N C -0.605 175.021 175.510 0.192 0.000 1.272 519 N CA -0.305 52.929 53.050 0.306 0.000 0.928 519 N CB 0.383 38.985 38.487 0.192 0.000 1.158 519 N HN 0.193 nan 8.380 nan 0.000 0.463 520 V N 1.381 121.245 119.914 -0.084 0.000 2.623 520 V HA 0.434 4.524 4.120 -0.050 0.000 0.304 520 V C -1.295 174.638 176.094 -0.268 0.000 1.054 520 V CA -0.715 61.389 62.300 -0.327 0.000 0.882 520 V CB 1.411 32.803 31.823 -0.718 0.000 1.002 520 V HN 0.428 nan 8.190 nan 0.000 0.424 521 I N 6.608 127.045 120.570 -0.222 0.000 2.312 521 I HA 0.408 4.548 4.170 -0.050 0.000 0.290 521 I C 0.293 176.199 176.117 -0.353 0.000 1.008 521 I CA 0.151 61.314 61.300 -0.229 0.000 1.226 521 I CB 1.558 39.443 38.000 -0.193 0.000 1.371 521 I HN 0.716 nan 8.210 nan 0.000 0.468 522 E N 7.269 127.308 120.200 -0.268 0.000 2.376 522 E HA 0.427 4.747 4.350 -0.050 0.000 0.236 522 E C -2.772 173.713 176.600 -0.192 0.000 0.962 522 E CA -2.039 54.214 56.400 -0.246 0.000 0.768 522 E CB 0.591 30.183 29.700 -0.179 0.000 1.236 522 E HN 0.208 nan 8.360 nan 0.000 0.431 523 P HA 0.036 nan 4.420 nan 0.000 0.281 523 P C -0.681 176.506 177.300 -0.189 0.000 1.286 523 P CA -0.274 62.683 63.100 -0.239 0.000 0.772 523 P CB 1.017 32.577 31.700 -0.233 0.000 0.862 524 S N 3.161 118.714 115.700 -0.245 0.000 2.456 524 S HA 0.610 5.050 4.470 -0.050 0.000 0.316 524 S C -0.650 173.804 174.600 -0.242 0.000 1.089 524 S CA -0.696 57.429 58.200 -0.125 0.000 1.101 524 S CB 0.046 63.209 63.200 -0.061 0.000 0.995 524 S HN 0.061 nan 8.310 nan 0.000 0.468 525 F N 1.983 121.857 119.950 -0.128 0.000 2.404 525 F HA 0.581 5.076 4.527 -0.053 0.000 0.354 525 F C 1.092 176.796 175.800 -0.161 0.000 1.122 525 F CA -0.715 57.203 58.000 -0.136 0.000 1.080 525 F CB 1.345 40.199 39.000 -0.244 0.000 1.131 525 F HN 0.838 nan 8.300 nan 0.000 0.471 526 G N 4.532 113.340 108.800 0.013 0.000 2.475 526 G HA2 0.423 4.353 3.960 -0.050 0.000 0.322 526 G HA3 0.423 4.353 3.960 -0.050 0.000 0.322 526 G C 0.618 175.494 174.900 -0.040 0.000 1.044 526 G CA -0.399 44.672 45.100 -0.047 0.000 1.047 526 G HN 0.787 nan 8.290 nan 0.000 0.436 527 L N 2.637 123.824 121.223 -0.059 0.000 2.240 527 L HA 0.061 4.371 4.340 -0.050 0.000 0.211 527 L C 2.858 179.666 176.870 -0.104 0.000 1.106 527 L CA 1.039 55.826 54.840 -0.088 0.000 0.793 527 L CB -0.059 41.903 42.059 -0.162 0.000 0.927 527 L HN 0.579 nan 8.230 nan 0.000 0.446 528 G N 0.061 108.813 108.800 -0.079 0.000 2.402 528 G HA2 -0.183 3.747 3.960 -0.050 0.000 0.216 528 G HA3 -0.183 3.747 3.960 -0.050 0.000 0.216 528 G C 1.785 176.645 174.900 -0.067 0.000 1.162 528 G CA 0.237 45.309 45.100 -0.046 0.000 0.777 528 G HN 0.241 nan 8.290 nan 0.000 0.539 529 R N -0.132 120.316 120.500 -0.086 0.000 2.075 529 R HA 0.102 4.412 4.340 -0.050 0.000 0.232 529 R C 2.588 178.855 176.300 -0.055 0.000 1.126 529 R CA 0.930 56.987 56.100 -0.072 0.000 0.963 529 R CB -0.427 29.812 30.300 -0.102 0.000 0.858 529 R HN 0.350 nan 8.270 nan 0.000 0.435 530 I N 0.774 121.305 120.570 -0.065 0.000 2.151 530 I HA -0.365 3.775 4.170 -0.050 0.000 0.243 530 I C 2.701 178.704 176.117 -0.190 0.000 1.080 530 I CA 1.532 62.785 61.300 -0.079 0.000 1.339 530 I CB -0.214 37.793 38.000 0.012 0.000 1.039 530 I HN 0.240 nan 8.210 nan 0.000 0.409 531 M N -0.589 118.871 119.600 -0.232 0.000 2.117 531 M HA -0.278 4.172 4.480 -0.050 0.000 0.262 531 M C 2.433 178.312 176.300 -0.702 0.000 1.065 531 M CA 1.905 56.919 55.300 -0.477 0.000 1.114 531 M CB -0.253 32.118 32.600 -0.382 0.000 1.361 531 M HN 0.225 nan 8.290 nan 0.000 0.408 532 Y N 0.477 120.548 120.300 -0.382 0.000 2.293 532 Y HA -0.183 4.336 4.550 -0.052 0.000 0.291 532 Y C 2.123 177.957 175.900 -0.110 0.000 1.137 532 Y CA 2.078 60.122 58.100 -0.093 0.000 1.202 532 Y CB -0.508 37.936 38.460 -0.027 0.000 0.990 532 Y HN 0.215 nan 8.280 nan 0.000 0.537 533 T N -0.545 113.901 114.554 -0.180 0.000 2.746 533 T HA -0.175 4.145 4.350 -0.050 0.000 0.267 533 T C 2.029 176.439 174.700 -0.483 0.000 1.039 533 T CA 1.668 63.546 62.100 -0.371 0.000 1.142 533 T CB -0.727 67.922 68.868 -0.365 0.000 0.866 533 T HN 0.200 nan 8.240 nan 0.000 0.444 534 V N 0.819 120.504 119.914 -0.382 0.000 2.358 534 V HA -0.119 3.971 4.120 -0.050 0.000 0.246 534 V C 2.077 178.140 176.094 -0.051 0.000 1.047 534 V CA 1.546 63.706 62.300 -0.234 0.000 1.035 534 V CB -0.975 30.692 31.823 -0.260 0.000 0.658 534 V HN 0.489 nan 8.190 nan 0.000 0.452 535 F N 0.382 120.288 119.950 -0.074 0.000 2.095 535 F HA -0.204 4.291 4.527 -0.053 0.000 0.298 535 F C 2.647 178.431 175.800 -0.026 0.000 1.104 535 F CA 1.718 59.688 58.000 -0.050 0.000 1.232 535 F CB -0.184 38.674 39.000 -0.237 0.000 0.987 535 F HN 0.173 nan 8.300 nan 0.000 0.475 536 E N -1.089 119.082 120.200 -0.049 0.000 2.216 536 E HA -0.131 4.189 4.350 -0.050 0.000 0.192 536 E C 1.406 178.067 176.600 0.101 0.000 0.988 536 E CA 0.644 57.013 56.400 -0.052 0.000 0.834 536 E CB -0.174 29.447 29.700 -0.133 0.000 0.772 536 E HN 0.627 nan 8.360 nan 0.000 0.479 537 H N -1.329 117.679 119.070 -0.104 0.000 2.539 537 H HA 0.122 4.650 4.556 -0.048 0.000 0.269 537 H C 0.949 176.180 175.328 -0.161 0.000 0.980 537 H CA 0.248 56.231 56.048 -0.108 0.000 1.152 537 H CB 0.785 30.503 29.762 -0.074 0.000 1.407 537 H HN -0.023 nan 8.280 nan 0.000 0.564 538 T N -0.317 114.180 114.554 -0.095 0.000 2.966 538 T HA 0.020 4.340 4.350 -0.050 0.000 0.254 538 T C -0.005 174.285 174.700 -0.684 0.000 0.961 538 T CA -0.411 61.519 62.100 -0.284 0.000 0.915 538 T CB 0.255 69.064 68.868 -0.099 0.000 1.186 538 T HN 0.114 nan 8.240 nan 0.000 0.505 539 F N 4.719 124.275 119.950 -0.656 0.000 2.541 539 F HA 0.282 4.779 4.527 -0.050 0.000 0.378 539 F C 0.169 175.319 175.800 -1.083 0.000 1.068 539 F CA 0.094 57.514 58.000 -0.966 0.000 1.199 539 F CB 0.259 38.867 39.000 -0.654 0.000 1.091 539 F HN 0.162 nan 8.300 nan 0.000 0.555 540 H N 4.178 122.373 119.070 -1.459 0.000 2.865 540 H HA 0.541 5.067 4.556 -0.049 0.000 0.372 540 H C -1.054 173.628 175.328 -1.076 0.000 1.173 540 H CA -0.852 54.527 56.048 -1.115 0.000 1.147 540 H CB 1.854 30.959 29.762 -1.096 0.000 1.805 540 H HN 0.338 nan 8.280 nan 0.000 0.553 541 V N 2.460 122.139 119.914 -0.391 0.000 2.459 541 V HA 0.369 4.459 4.120 -0.050 0.000 0.295 541 V C 0.597 176.673 176.094 -0.029 0.000 1.029 541 V CA -0.788 61.374 62.300 -0.230 0.000 0.874 541 V CB 1.846 33.581 31.823 -0.146 0.000 0.985 541 V HN 0.558 nan 8.190 nan 0.000 0.438 542 R N 1.838 122.351 120.500 0.021 0.000 2.583 542 R HA 0.276 4.586 4.340 -0.050 0.000 0.268 542 R C 1.260 177.550 176.300 -0.016 0.000 1.101 542 R CA -0.494 55.621 56.100 0.026 0.000 1.180 542 R CB 0.719 31.015 30.300 -0.007 0.000 1.128 542 R HN 0.738 nan 8.270 nan 0.000 0.568 543 E N 0.919 121.099 120.200 -0.032 0.000 2.187 543 E HA -0.169 4.150 4.350 -0.050 0.000 0.199 543 E C 0.969 177.553 176.600 -0.027 0.000 1.004 543 E CA 1.001 57.381 56.400 -0.033 0.000 0.813 543 E CB -0.224 29.450 29.700 -0.043 0.000 0.736 543 E HN 0.800 nan 8.360 nan 0.000 0.468 548 R N 0.202 120.698 120.500 -0.007 0.000 2.607 548 R HA 0.919 5.229 4.340 -0.050 0.000 0.261 548 R C -0.294 175.987 176.300 -0.032 0.000 1.051 548 R CA -0.566 55.531 56.100 -0.004 0.000 1.110 548 R CB 2.054 32.355 30.300 0.002 0.000 1.158 548 R HN 0.505 nan 8.270 nan 0.000 0.543 549 T N 1.551 116.083 114.554 -0.037 0.000 2.909 549 T HA 0.576 4.896 4.350 -0.050 0.000 0.299 549 T C -1.533 173.114 174.700 -0.089 0.000 1.073 549 T CA -0.609 61.379 62.100 -0.187 0.000 0.999 549 T CB 0.986 69.728 68.868 -0.210 0.000 1.098 549 T HN 0.488 nan 8.240 nan 0.000 0.477 550 F N 0.800 120.447 119.950 -0.505 0.000 2.641 550 F HA 0.803 5.300 4.527 -0.050 0.000 0.308 550 F C -2.118 173.339 175.800 -0.572 0.000 1.105 550 F CA -1.581 56.194 58.000 -0.374 0.000 0.964 550 F CB 0.942 39.814 39.000 -0.213 0.000 1.294 550 F HN 0.429 nan 8.300 nan 0.000 0.442 551 F N 1.879 121.598 119.950 -0.384 0.000 2.410 551 F HA 0.385 4.884 4.527 -0.046 0.000 0.349 551 F C 0.856 176.312 175.800 -0.572 0.000 1.117 551 F CA -0.679 56.873 58.000 -0.747 0.000 1.104 551 F CB 2.075 40.417 39.000 -1.097 0.000 1.122 551 F HN 0.673 nan 8.300 nan 0.000 0.483 552 S N 3.713 119.193 115.700 -0.368 0.000 3.149 552 S HA 0.322 4.762 4.470 -0.050 0.000 0.228 552 S C -0.251 174.320 174.600 -0.048 0.000 1.393 552 S CA -0.639 57.532 58.200 -0.049 0.000 1.224 552 S CB -1.305 61.965 63.200 0.117 0.000 1.112 552 S HN 0.407 nan 8.310 nan 0.000 0.502 553 F N 2.192 122.198 119.950 0.093 0.000 2.563 553 F HA 0.272 4.772 4.527 -0.045 0.000 0.363 553 F C -1.786 174.002 175.800 -0.019 0.000 1.123 553 F CA -2.098 55.915 58.000 0.021 0.000 1.307 553 F CB -0.017 38.988 39.000 0.009 0.000 1.115 553 F HN 0.210 nan 8.300 nan 0.000 0.592 554 P HA 0.005 nan 4.420 nan 0.000 0.269 554 P C -0.052 177.285 177.300 0.062 0.000 1.209 554 P CA 0.044 63.192 63.100 0.079 0.000 0.776 554 P CB 0.835 32.560 31.700 0.042 0.000 0.876 555 A N 2.697 125.541 122.820 0.040 0.000 2.070 555 A HA -0.128 4.162 4.320 -0.050 0.000 0.220 555 A C 1.956 179.583 177.584 0.071 0.000 1.159 555 A CA 1.410 53.477 52.037 0.051 0.000 0.656 555 A CB -1.269 17.812 19.000 0.135 0.000 0.800 555 A HN 0.462 nan 8.150 nan 0.000 0.453 556 V N -1.178 118.768 119.914 0.055 0.000 3.217 556 V HA -0.023 4.067 4.120 -0.050 0.000 0.264 556 V C 1.689 177.785 176.094 0.004 0.000 1.135 556 V CA 1.736 64.061 62.300 0.041 0.000 1.142 556 V CB 0.403 32.243 31.823 0.028 0.000 0.754 556 V HN 0.319 nan 8.190 nan 0.000 0.484 557 V N -0.681 119.218 119.914 -0.026 0.000 3.480 557 V HA 0.470 4.560 4.120 -0.050 0.000 0.263 557 V C 1.179 177.168 176.094 -0.175 0.000 1.442 557 V CA 0.417 62.654 62.300 -0.105 0.000 1.053 557 V CB 0.516 32.247 31.823 -0.153 0.000 0.846 557 V HN 0.428 nan 8.190 nan 0.000 0.440 558 A N 1.709 124.476 122.820 -0.087 0.000 2.561 558 A HA 0.220 4.510 4.320 -0.050 0.000 0.234 558 A C -0.898 176.620 177.584 -0.111 0.000 1.055 558 A CA -0.280 51.708 52.037 -0.083 0.000 0.756 558 A CB -0.397 18.623 19.000 0.034 0.000 0.986 558 A HN 0.260 nan 8.150 nan 0.000 0.505 559 P HA -0.153 nan 4.420 nan 0.000 0.218 559 P C 0.074 177.423 177.300 0.081 0.000 1.165 559 P CA 1.958 65.005 63.100 -0.088 0.000 0.922 559 P CB -0.143 31.448 31.700 -0.182 0.000 0.794 560 F N -5.544 114.431 119.950 0.042 0.000 2.601 560 F HA 0.547 5.042 4.527 -0.053 0.000 0.309 560 F C 0.965 176.828 175.800 0.104 0.000 1.089 560 F CA -1.352 56.685 58.000 0.061 0.000 0.940 560 F CB 0.960 39.988 39.000 0.047 0.000 1.273 560 F HN -0.444 nan 8.300 nan 0.000 0.450 561 K N 0.353 120.930 120.400 0.296 0.000 2.103 561 K HA 0.080 4.370 4.320 -0.050 0.000 0.204 561 K C 0.146 176.946 176.600 0.333 0.000 1.052 561 K CA 1.240 57.680 56.287 0.254 0.000 0.945 561 K CB 0.018 32.695 32.500 0.297 0.000 0.722 561 K HN 0.635 nan 8.250 nan 0.000 0.443 562 C N -0.592 118.967 119.300 0.431 0.000 2.889 562 C HA 0.601 5.031 4.460 -0.050 0.000 0.307 562 C C -1.085 174.195 174.990 0.483 0.000 1.251 562 C CA -0.563 58.708 59.018 0.421 0.000 1.593 562 C CB 2.008 29.948 27.740 0.333 0.000 2.104 562 C HN 0.242 nan 8.230 nan 0.000 0.476 563 S N 2.399 118.325 115.700 0.377 0.000 2.776 563 S HA 0.551 4.991 4.470 -0.050 0.000 0.284 563 S C -0.801 173.911 174.600 0.186 0.000 1.160 563 S CA -0.386 58.008 58.200 0.324 0.000 1.051 563 S CB 0.955 64.370 63.200 0.358 0.000 1.037 563 S HN 1.675 nan 8.310 nan 0.000 0.485 564 V N 4.623 124.611 119.914 0.123 0.000 2.546 564 V HA 0.668 4.758 4.120 -0.050 0.000 0.284 564 V C -0.653 175.436 176.094 -0.009 0.000 1.050 564 V CA -0.390 61.946 62.300 0.060 0.000 0.981 564 V CB 0.923 32.773 31.823 0.045 0.000 0.990 564 V HN 0.782 nan 8.190 nan 0.000 0.474 565 L N 6.874 128.069 121.223 -0.047 0.000 2.353 565 L HA 0.509 4.819 4.340 -0.050 0.000 0.270 565 L C -2.522 174.278 176.870 -0.117 0.000 1.003 565 L CA -1.605 53.160 54.840 -0.125 0.000 0.862 565 L CB 2.241 44.151 42.059 -0.249 0.000 1.221 565 L HN 0.522 nan 8.230 nan 0.000 0.430 566 P HA 0.210 nan 4.420 nan 0.000 0.286 566 P C 0.737 177.820 177.300 -0.362 0.000 1.269 566 P CA -0.472 62.478 63.100 -0.251 0.000 0.787 566 P CB 1.920 33.497 31.700 -0.204 0.000 0.920 567 L N 1.252 122.160 121.223 -0.524 0.000 2.005 567 L HA -0.061 4.248 4.340 -0.050 0.000 0.207 567 L C 1.195 177.769 176.870 -0.493 0.000 1.072 567 L CA 1.555 56.112 54.840 -0.472 0.000 0.744 567 L CB -0.509 41.220 42.059 -0.549 0.000 0.895 567 L HN 0.366 nan 8.230 nan 0.000 0.433 568 S N -0.539 114.662 115.700 -0.831 0.000 2.525 568 S HA 0.132 4.572 4.470 -0.050 0.000 0.278 568 S C 0.718 175.088 174.600 -0.383 0.000 1.234 568 S CA -0.552 57.326 58.200 -0.537 0.000 1.058 568 S CB 1.693 64.582 63.200 -0.518 0.000 0.983 568 S HN 0.186 nan 8.310 nan 0.000 0.495 569 Q N 1.579 121.277 119.800 -0.170 0.000 2.364 569 Q HA -0.110 4.200 4.340 -0.050 0.000 0.207 569 Q C 0.736 176.724 176.000 -0.020 0.000 0.970 569 Q CA 0.465 56.218 55.803 -0.083 0.000 0.888 569 Q CB -0.271 28.444 28.738 -0.039 0.000 0.951 569 Q HN 0.755 nan 8.270 nan 0.000 0.469 570 N N 0.667 119.371 118.700 0.006 0.000 2.307 570 N HA -0.143 4.567 4.740 -0.050 0.000 0.230 570 N C 1.285 176.921 175.510 0.209 0.000 1.297 570 N CA 0.223 53.349 53.050 0.128 0.000 0.884 570 N CB 0.642 39.253 38.487 0.207 0.000 1.115 570 N HN 0.017 nan 8.380 nan 0.000 0.436 571 Q N 1.456 121.370 119.800 0.190 0.000 1.941 571 Q HA -0.223 4.087 4.340 -0.050 0.000 0.201 571 Q C 1.141 177.257 176.000 0.193 0.000 0.982 571 Q CA 1.797 57.696 55.803 0.160 0.000 0.839 571 Q CB -1.015 27.785 28.738 0.105 0.000 0.904 571 Q HN 0.806 nan 8.270 nan 0.000 0.427 572 E N 0.343 120.647 120.200 0.174 0.000 2.401 572 E HA -0.173 4.146 4.350 -0.050 0.000 0.204 572 E C 1.544 178.194 176.600 0.083 0.000 1.036 572 E CA 1.171 57.626 56.400 0.091 0.000 0.856 572 E CB -0.409 29.316 29.700 0.042 0.000 0.770 572 E HN 0.309 nan 8.360 nan 0.000 0.527 573 F N -0.323 119.710 119.950 0.139 0.000 2.387 573 F HA 0.002 4.499 4.527 -0.050 0.000 0.294 573 F C 2.097 177.974 175.800 0.130 0.000 1.093 573 F CA 0.428 58.512 58.000 0.140 0.000 1.420 573 F CB 0.015 39.028 39.000 0.022 0.000 1.086 573 F HN -0.010 nan 8.300 nan 0.000 0.531 574 M N 0.169 119.919 119.600 0.251 0.000 2.149 574 M HA -0.119 4.330 4.480 -0.050 0.000 0.261 574 M C -0.681 175.665 176.300 0.077 0.000 1.064 574 M CA 1.569 56.952 55.300 0.138 0.000 1.102 574 M CB -2.553 30.101 32.600 0.090 0.000 1.369 574 M HN -0.040 nan 8.290 nan 0.000 0.408 575 P HA -0.092 nan 4.420 nan 0.000 0.218 575 P C 1.566 178.751 177.300 -0.192 0.000 1.149 575 P CA 1.214 64.245 63.100 -0.115 0.000 0.817 575 P CB -0.198 31.375 31.700 -0.211 0.000 0.785 576 F N -0.999 118.915 119.950 -0.061 0.000 2.149 576 F HA -0.116 4.380 4.527 -0.051 0.000 0.294 576 F C 2.376 178.162 175.800 -0.023 0.000 1.095 576 F CA 0.929 58.886 58.000 -0.071 0.000 1.276 576 F CB -1.193 37.748 39.000 -0.098 0.000 1.023 576 F HN -0.336 nan 8.300 nan 0.000 0.480 577 V N 0.386 120.429 119.914 0.215 0.000 2.332 577 V HA -0.353 3.737 4.120 -0.050 0.000 0.248 577 V C 2.394 178.525 176.094 0.062 0.000 1.055 577 V CA 2.075 64.449 62.300 0.123 0.000 1.038 577 V CB -0.614 31.278 31.823 0.115 0.000 0.651 577 V HN 0.259 nan 8.190 nan 0.000 0.450 578 K N -0.081 120.346 120.400 0.044 0.000 2.026 578 K HA -0.268 4.022 4.320 -0.050 0.000 0.208 578 K C 2.234 178.832 176.600 -0.004 0.000 1.048 578 K CA 2.003 58.300 56.287 0.017 0.000 0.929 578 K CB -0.131 32.369 32.500 -0.001 0.000 0.713 578 K HN 0.447 nan 8.250 nan 0.000 0.439 579 E N 1.019 121.198 120.200 -0.035 0.000 2.153 579 E HA -0.151 4.169 4.350 -0.050 0.000 0.194 579 E C 1.881 178.463 176.600 -0.031 0.000 0.988 579 E CA 0.912 57.284 56.400 -0.048 0.000 0.811 579 E CB -0.213 29.426 29.700 -0.103 0.000 0.746 579 E HN 0.332 nan 8.360 nan 0.000 0.466 580 L N -0.264 120.946 121.223 -0.022 0.000 2.027 580 L HA -0.171 4.139 4.340 -0.050 0.000 0.206 580 L C 2.467 179.253 176.870 -0.140 0.000 1.074 580 L CA 1.617 56.423 54.840 -0.056 0.000 0.745 580 L CB -0.536 41.507 42.059 -0.028 0.000 0.898 580 L HN 0.257 nan 8.230 nan 0.000 0.433 581 S N -0.285 115.346 115.700 -0.114 0.000 2.359 581 S HA -0.254 4.186 4.470 -0.050 0.000 0.224 581 S C 1.718 176.294 174.600 -0.039 0.000 1.035 581 S CA 1.853 59.967 58.200 -0.143 0.000 1.018 581 S CB -0.158 63.119 63.200 0.129 0.000 0.876 581 S HN 0.495 nan 8.310 nan 0.000 0.448 582 E N 0.589 120.800 120.200 0.018 0.000 2.106 582 E HA -0.053 4.267 4.350 -0.050 0.000 0.192 582 E C 2.395 179.030 176.600 0.058 0.000 0.984 582 E CA 0.941 57.371 56.400 0.051 0.000 0.806 582 E CB -0.287 29.431 29.700 0.030 0.000 0.750 582 E HN 0.610 nan 8.360 nan 0.000 0.458 583 A N 1.189 124.029 122.820 0.033 0.000 1.898 583 A HA -0.160 4.130 4.320 -0.050 0.000 0.216 583 A C 2.107 179.786 177.584 0.158 0.000 1.181 583 A CA 0.931 53.030 52.037 0.103 0.000 0.620 583 A CB -0.419 18.601 19.000 0.034 0.000 0.819 583 A HN 0.094 nan 8.150 nan 0.000 0.442 584 L N 0.066 121.274 121.223 -0.024 0.000 1.989 584 L HA -0.159 4.151 4.340 -0.050 0.000 0.211 584 L C 2.751 179.718 176.870 0.161 0.000 1.071 584 L CA 2.576 57.397 54.840 -0.032 0.000 0.749 584 L CB -1.450 40.380 42.059 -0.382 0.000 0.890 584 L HN 0.422 nan 8.230 nan 0.000 0.431 585 T N -1.539 113.137 114.554 0.204 0.000 2.788 585 T HA -0.229 4.091 4.350 -0.050 0.000 0.268 585 T C 2.093 176.879 174.700 0.143 0.000 1.044 585 T CA 1.270 63.501 62.100 0.219 0.000 1.139 585 T CB -0.203 68.786 68.868 0.201 0.000 0.867 585 T HN 0.182 nan 8.240 nan 0.000 0.454 586 R N -0.189 120.389 120.500 0.130 0.000 2.148 586 R HA -0.048 4.262 4.340 -0.050 0.000 0.227 586 R C 1.613 177.903 176.300 -0.016 0.000 1.103 586 R CA 1.053 57.184 56.100 0.053 0.000 0.983 586 R CB -0.081 30.245 30.300 0.043 0.000 0.874 586 R HN 0.502 nan 8.270 nan 0.000 0.451 587 H N -1.839 117.255 119.070 0.041 0.000 2.551 587 H HA 0.251 4.777 4.556 -0.051 0.000 0.271 587 H C 0.823 176.188 175.328 0.060 0.000 0.984 587 H CA 0.630 56.703 56.048 0.042 0.000 1.164 587 H CB 1.032 30.813 29.762 0.031 0.000 1.437 587 H HN 0.361 nan 8.280 nan 0.000 0.550 588 G N 0.693 109.590 108.800 0.161 0.000 2.176 588 G HA2 -0.265 3.665 3.960 -0.050 0.000 0.252 588 G HA3 -0.265 3.665 3.960 -0.050 0.000 0.252 588 G C -0.263 174.734 174.900 0.162 0.000 1.024 588 G CA 0.413 45.593 45.100 0.133 0.000 0.755 588 G HN 0.249 nan 8.290 nan 0.000 0.507 589 V N 1.480 121.517 119.914 0.205 0.000 2.350 589 V HA 0.474 4.564 4.120 -0.050 0.000 0.276 589 V C 0.911 177.187 176.094 0.303 0.000 1.028 589 V CA -0.177 62.259 62.300 0.226 0.000 0.860 589 V CB 1.450 33.391 31.823 0.196 0.000 0.990 589 V HN 0.485 nan 8.190 nan 0.000 0.453 590 S N 6.220 122.067 115.700 0.245 0.000 2.537 590 S HA 0.273 4.712 4.470 -0.050 0.000 0.286 590 S C -0.033 174.759 174.600 0.320 0.000 1.299 590 S CA -0.228 58.099 58.200 0.212 0.000 1.067 590 S CB -0.149 63.175 63.200 0.207 0.000 0.864 590 S HN 0.974 nan 8.310 nan 0.000 0.494 591 H N 0.256 119.385 119.070 0.098 0.000 2.990 591 H HA 0.720 5.247 4.556 -0.049 0.000 0.343 591 H C -1.190 173.991 175.328 -0.246 0.000 1.270 591 H CA -1.282 54.803 56.048 0.061 0.000 1.118 591 H CB 1.624 31.431 29.762 0.075 0.000 1.861 591 H HN 0.614 nan 8.280 nan 0.000 0.544 592 K N 1.275 121.520 120.400 -0.257 0.000 2.565 592 K HA 0.380 4.670 4.320 -0.050 0.000 0.251 592 K C -1.654 174.883 176.600 -0.105 0.000 0.956 592 K CA -0.683 55.347 56.287 -0.428 0.000 0.809 592 K CB 2.676 34.551 32.500 -1.041 0.000 1.267 592 K HN 0.381 nan 8.250 nan 0.000 0.438 593 V N 3.808 123.696 119.914 -0.044 0.000 2.439 593 V HA 0.037 4.127 4.120 -0.050 0.000 0.271 593 V C 0.152 176.227 176.094 -0.033 0.000 1.040 593 V CA -0.179 62.121 62.300 -0.001 0.000 1.002 593 V CB 0.817 32.648 31.823 0.014 0.000 1.000 593 V HN 0.752 nan 8.190 nan 0.000 0.477 594 D N 4.896 125.282 120.400 -0.024 0.000 2.312 594 D HA 0.120 4.730 4.640 -0.050 0.000 0.252 594 D C 0.075 176.344 176.300 -0.051 0.000 1.150 594 D CA -0.361 53.619 54.000 -0.034 0.000 0.870 594 D CB 1.466 42.236 40.800 -0.050 0.000 1.153 594 D HN 0.750 nan 8.370 nan 0.000 0.457 595 D N 1.127 121.502 120.400 -0.041 0.000 2.740 595 D HA 0.024 4.634 4.640 -0.050 0.000 0.301 595 D C -0.026 176.252 176.300 -0.036 0.000 1.408 595 D CA -0.487 53.486 54.000 -0.044 0.000 0.808 595 D CB -0.432 40.347 40.800 -0.034 0.000 1.128 595 D HN 0.161 nan 8.370 nan 0.000 0.465 596 S N 0.048 115.726 115.700 -0.036 0.000 2.645 596 S HA 0.533 4.973 4.470 -0.050 0.000 0.266 596 S C 0.314 174.896 174.600 -0.030 0.000 1.258 596 S CA -0.514 57.672 58.200 -0.024 0.000 0.990 596 S CB 1.251 64.443 63.200 -0.013 0.000 0.967 596 S HN 0.256 nan 8.310 nan 0.000 0.556 597 S N 0.527 116.217 115.700 -0.017 0.000 2.422 597 S HA 0.810 5.250 4.470 -0.050 0.000 0.308 597 S C 0.339 174.933 174.600 -0.010 0.000 1.097 597 S CA -0.135 58.055 58.200 -0.016 0.000 1.099 597 S CB 0.118 63.313 63.200 -0.009 0.000 0.976 597 S HN 1.837 nan 8.310 nan 0.000 0.471 598 G N 1.101 109.893 108.800 -0.013 0.000 2.356 598 G HA2 0.312 4.242 3.960 -0.050 0.000 0.288 598 G HA3 0.312 4.242 3.960 -0.050 0.000 0.288 598 G C -0.721 174.176 174.900 -0.005 0.000 1.302 598 G CA -0.432 44.666 45.100 -0.004 0.000 0.887 598 G HN 1.004 nan 8.290 nan 0.000 0.521 599 S N -1.076 114.629 115.700 0.007 0.000 2.579 599 S HA 0.287 4.727 4.470 -0.050 0.000 0.275 599 S C 1.845 176.454 174.600 0.015 0.000 1.345 599 S CA 0.289 58.499 58.200 0.017 0.000 1.031 599 S CB 0.550 63.767 63.200 0.029 0.000 0.892 599 S HN 1.266 nan 8.310 nan 0.000 0.529 600 I N 3.946 124.533 120.570 0.027 0.000 2.208 600 I HA -0.063 4.077 4.170 -0.050 0.000 0.245 600 I C 1.989 178.176 176.117 0.118 0.000 1.097 600 I CA 2.115 63.438 61.300 0.038 0.000 1.363 600 I CB -0.905 37.145 38.000 0.083 0.000 1.051 600 I HN 0.822 nan 8.210 nan 0.000 0.413 601 G N 0.394 109.275 108.800 0.133 0.000 2.422 601 G HA2 -0.209 3.721 3.960 -0.050 0.000 0.218 601 G HA3 -0.209 3.721 3.960 -0.050 0.000 0.218 601 G C 1.737 176.706 174.900 0.115 0.000 1.140 601 G CA 0.390 45.581 45.100 0.151 0.000 0.775 601 G HN 0.382 nan 8.290 nan 0.000 0.545 602 R N -0.236 120.306 120.500 0.069 0.000 2.148 602 R HA 0.126 4.436 4.340 -0.050 0.000 0.223 602 R C 2.670 178.995 176.300 0.042 0.000 1.088 602 R CA 0.428 56.557 56.100 0.050 0.000 0.985 602 R CB -0.113 30.206 30.300 0.032 0.000 0.880 602 R HN 0.251 nan 8.270 nan 0.000 0.451 603 R N -0.647 119.862 120.500 0.014 0.000 2.093 603 R HA -0.055 4.255 4.340 -0.050 0.000 0.224 603 R C 1.646 177.923 176.300 -0.038 0.000 1.101 603 R CA 1.120 57.195 56.100 -0.043 0.000 0.979 603 R CB -0.122 30.099 30.300 -0.131 0.000 0.877 603 R HN 0.308 nan 8.270 nan 0.000 0.441 604 Y N 0.495 120.811 120.300 0.027 0.000 2.373 604 Y HA -0.116 4.403 4.550 -0.051 0.000 0.293 604 Y C 2.463 178.371 175.900 0.013 0.000 1.129 604 Y CA 0.692 58.804 58.100 0.021 0.000 1.226 604 Y CB 0.043 38.506 38.460 0.005 0.000 1.000 604 Y HN 0.127 nan 8.280 nan 0.000 0.549 605 A N 0.275 123.192 122.820 0.161 0.000 1.969 605 A HA -0.160 4.130 4.320 -0.050 0.000 0.218 605 A C 2.155 179.801 177.584 0.104 0.000 1.169 605 A CA 1.236 53.333 52.037 0.099 0.000 0.635 605 A CB -0.358 18.682 19.000 0.068 0.000 0.810 605 A HN 0.377 nan 8.150 nan 0.000 0.445 606 R N -0.566 119.994 120.500 0.100 0.000 2.073 606 R HA -0.082 4.228 4.340 -0.050 0.000 0.229 606 R C 2.487 178.866 176.300 0.131 0.000 1.120 606 R CA 1.810 57.973 56.100 0.104 0.000 0.967 606 R CB -0.712 29.634 30.300 0.078 0.000 0.862 606 R HN 0.735 nan 8.270 nan 0.000 0.436 607 T N -0.800 113.833 114.554 0.131 0.000 2.867 607 T HA -0.100 4.220 4.350 -0.050 0.000 0.268 607 T C 1.278 176.062 174.700 0.141 0.000 1.057 607 T CA 1.380 63.564 62.100 0.140 0.000 1.136 607 T CB -0.177 68.789 68.868 0.163 0.000 0.874 607 T HN 0.029 nan 8.240 nan 0.000 0.466 608 D N 1.299 121.790 120.400 0.151 0.000 2.144 608 D HA -0.036 4.574 4.640 -0.050 0.000 0.200 608 D C 2.073 178.505 176.300 0.220 0.000 0.978 608 D CA 1.001 55.092 54.000 0.151 0.000 0.833 608 D CB -0.402 40.449 40.800 0.084 0.000 0.961 608 D HN 0.626 nan 8.370 nan 0.000 0.470 609 E N 0.236 120.561 120.200 0.208 0.000 2.118 609 E HA -0.147 4.173 4.350 -0.050 0.000 0.195 609 E C 1.896 178.781 176.600 0.475 0.000 0.992 609 E CA 0.829 57.380 56.400 0.252 0.000 0.804 609 E CB -0.015 29.812 29.700 0.212 0.000 0.741 609 E HN 0.460 nan 8.360 nan 0.000 0.458 610 I N -4.343 116.483 120.570 0.427 0.000 3.883 610 I HA 0.385 4.525 4.170 -0.050 0.000 0.326 610 I C 1.062 177.512 176.117 0.554 0.000 1.283 610 I CA 0.455 62.095 61.300 0.566 0.000 1.161 610 I CB 0.513 38.640 38.000 0.212 0.000 1.012 610 I HN 0.131 nan 8.210 nan 0.000 0.421 611 G N 1.856 110.909 108.800 0.420 0.000 2.149 611 G HA2 -0.201 3.728 3.960 -0.050 0.000 0.235 611 G HA3 -0.201 3.728 3.960 -0.050 0.000 0.235 611 G C 0.073 175.092 174.900 0.199 0.000 1.018 611 G CA 0.051 45.376 45.100 0.374 0.000 0.728 611 G HN 0.276 nan 8.290 nan 0.000 0.508 612 V N 0.550 120.472 119.914 0.014 0.000 2.529 612 V HA 0.384 4.474 4.120 -0.050 0.000 0.292 612 V C 1.877 177.915 176.094 -0.094 0.000 1.028 612 V CA 0.925 63.138 62.300 -0.145 0.000 1.074 612 V CB 0.697 32.407 31.823 -0.188 0.000 0.958 612 V HN 0.888 nan 8.190 nan 0.000 0.481 613 A N 5.021 127.734 122.820 -0.179 0.000 1.855 613 A HA 0.100 4.390 4.320 -0.050 0.000 0.215 613 A C 0.658 177.817 177.584 -0.708 0.000 1.191 613 A CA 1.427 53.165 52.037 -0.498 0.000 0.613 613 A CB -0.149 18.458 19.000 -0.656 0.000 0.829 613 A HN 0.612 nan 8.150 nan 0.000 0.442 614 F N -2.570 117.420 119.950 0.067 0.000 2.654 614 F HA 0.669 5.166 4.527 -0.050 0.000 0.334 614 F C 0.473 176.361 175.800 0.146 0.000 1.078 614 F CA -0.757 57.281 58.000 0.064 0.000 0.986 614 F CB 1.552 40.603 39.000 0.086 0.000 1.362 614 F HN 0.175 nan 8.300 nan 0.000 0.498 615 G N -0.089 108.943 108.800 0.386 0.000 2.753 615 G HA2 0.577 4.507 3.960 -0.050 0.000 0.297 615 G HA3 0.577 4.507 3.960 -0.050 0.000 0.297 615 G C -2.483 172.612 174.900 0.325 0.000 1.430 615 G CA -0.701 44.656 45.100 0.428 0.000 1.040 615 G HN 0.486 nan 8.290 nan 0.000 0.530 616 V N 1.616 121.687 119.914 0.262 0.000 2.380 616 V HA 0.552 4.642 4.120 -0.050 0.000 0.286 616 V C 0.286 176.459 176.094 0.132 0.000 1.015 616 V CA -0.635 61.756 62.300 0.153 0.000 0.834 616 V CB 1.414 33.278 31.823 0.069 0.000 1.009 616 V HN 0.938 nan 8.190 nan 0.000 0.428 617 T N 6.047 120.688 114.554 0.146 0.000 2.799 617 T HA 0.654 4.974 4.350 -0.050 0.000 0.286 617 T C -0.441 174.264 174.700 0.009 0.000 0.973 617 T CA -0.259 61.892 62.100 0.085 0.000 1.035 617 T CB 0.405 69.378 68.868 0.176 0.000 0.932 617 T HN 0.430 nan 8.240 nan 0.000 0.469 618 I N 5.630 126.192 120.570 -0.013 0.000 2.330 618 I HA 0.305 4.445 4.170 -0.050 0.000 0.286 618 I C -0.093 176.021 176.117 -0.006 0.000 1.025 618 I CA -0.877 60.425 61.300 0.004 0.000 1.197 618 I CB 0.944 38.989 38.000 0.075 0.000 1.358 618 I HN 0.758 nan 8.210 nan 0.000 0.467 619 D N 4.541 124.944 120.400 0.004 0.000 2.564 619 D HA 0.261 4.871 4.640 -0.050 0.000 0.273 619 D C 0.746 177.111 176.300 0.108 0.000 1.192 619 D CA -0.518 53.468 54.000 -0.024 0.000 1.080 619 D CB 0.487 41.316 40.800 0.049 0.000 1.160 619 D HN 0.266 nan 8.370 nan 0.000 0.607 620 F N -0.269 119.836 119.950 0.259 0.000 2.234 620 F HA -0.069 4.429 4.527 -0.050 0.000 0.299 620 F C 1.824 177.648 175.800 0.040 0.000 1.087 620 F CA 0.936 59.077 58.000 0.234 0.000 1.340 620 F CB -0.134 38.977 39.000 0.186 0.000 1.031 620 F HN 0.165 nan 8.300 nan 0.000 0.500 621 D N -0.508 120.014 120.400 0.204 0.000 2.218 621 D HA -0.121 4.489 4.640 -0.050 0.000 0.204 621 D C 2.187 178.477 176.300 -0.016 0.000 0.976 621 D CA 1.430 55.482 54.000 0.087 0.000 0.853 621 D CB -0.710 40.148 40.800 0.097 0.000 0.939 621 D HN 0.199 nan 8.370 nan 0.000 0.481 622 T N -0.037 114.473 114.554 -0.074 0.000 2.788 622 T HA -0.067 4.253 4.350 -0.050 0.000 0.268 622 T C 2.155 176.589 174.700 -0.443 0.000 1.044 622 T CA 0.673 62.643 62.100 -0.217 0.000 1.139 622 T CB -0.023 68.701 68.868 -0.240 0.000 0.867 622 T HN 0.018 nan 8.240 nan 0.000 0.454 623 V N 1.711 121.317 119.914 -0.513 0.000 2.341 623 V HA -0.017 4.073 4.120 -0.050 0.000 0.240 623 V C 2.281 178.346 176.094 -0.049 0.000 1.035 623 V CA 1.040 62.973 62.300 -0.612 0.000 1.033 623 V CB -0.387 30.947 31.823 -0.815 0.000 0.678 623 V HN 0.358 nan 8.190 nan 0.000 0.464 624 N N 0.517 119.200 118.700 -0.027 0.000 2.081 624 N HA -0.045 4.665 4.740 -0.050 0.000 0.191 624 N C 0.899 176.409 175.510 -0.001 0.000 1.053 624 N CA 0.761 53.832 53.050 0.035 0.000 0.846 624 N CB -0.372 38.144 38.487 0.050 0.000 1.032 624 N HN 0.380 nan 8.380 nan 0.000 0.431 625 K N 1.435 121.824 120.400 -0.018 0.000 2.453 625 K HA 0.022 4.312 4.320 -0.050 0.000 0.280 625 K C 0.758 177.259 176.600 -0.164 0.000 1.045 625 K CA 0.164 56.418 56.287 -0.054 0.000 1.059 625 K CB 0.466 32.958 32.500 -0.013 0.000 0.901 625 K HN 0.229 nan 8.250 nan 0.000 0.475 626 T N 2.790 117.241 114.554 -0.172 0.000 2.951 626 T HA -0.014 4.306 4.350 -0.050 0.000 0.268 626 T C -1.736 172.698 174.700 -0.443 0.000 1.073 626 T CA 0.434 62.366 62.100 -0.279 0.000 1.134 626 T CB -0.341 68.454 68.868 -0.123 0.000 0.884 626 T HN 0.529 nan 8.240 nan 0.000 0.479 627 P HA 0.334 nan 4.420 nan 0.000 0.284 627 P C -1.144 176.043 177.300 -0.190 0.000 1.432 627 P CA -0.475 62.502 63.100 -0.206 0.000 0.929 627 P CB -0.231 31.422 31.700 -0.078 0.000 1.158 628 H N 1.120 120.212 119.070 0.036 0.000 3.145 628 H HA 0.277 4.803 4.556 -0.050 0.000 0.263 628 H C 0.957 176.273 175.328 -0.021 0.000 1.057 628 H CA 0.449 56.498 56.048 0.002 0.000 1.477 628 H CB -0.252 29.585 29.762 0.125 0.000 1.529 628 H HN 0.317 nan 8.280 nan 0.000 0.508 629 T N 0.646 115.210 114.554 0.016 0.000 2.856 629 T HA 0.820 5.140 4.350 -0.050 0.000 0.283 629 T C 0.007 174.652 174.700 -0.091 0.000 1.008 629 T CA -0.981 61.100 62.100 -0.033 0.000 0.997 629 T CB 2.094 70.935 68.868 -0.044 0.000 0.992 629 T HN 0.583 nan 8.240 nan 0.000 0.454 630 A N 1.656 124.407 122.820 -0.114 0.000 2.387 630 A HA 0.878 5.168 4.320 -0.050 0.000 0.303 630 A C 0.187 177.641 177.584 -0.216 0.000 1.145 630 A CA -0.913 51.036 52.037 -0.147 0.000 0.801 630 A CB 1.611 20.561 19.000 -0.084 0.000 1.342 630 A HN 1.094 nan 8.150 nan 0.000 0.440 631 T N 0.200 114.609 114.554 -0.241 0.000 2.795 631 T HA 0.521 4.841 4.350 -0.050 0.000 0.282 631 T C -0.977 173.683 174.700 -0.067 0.000 0.980 631 T CA -0.338 61.598 62.100 -0.272 0.000 1.012 631 T CB 0.295 68.879 68.868 -0.472 0.000 0.936 631 T HN 0.956 nan 8.240 nan 0.000 0.457 632 L N 5.232 126.448 121.223 -0.011 0.000 2.287 632 L HA 0.642 4.952 4.340 -0.050 0.000 0.287 632 L C -0.057 176.957 176.870 0.240 0.000 1.022 632 L CA -0.450 54.456 54.840 0.109 0.000 0.814 632 L CB 1.172 43.276 42.059 0.075 0.000 1.217 632 L HN 0.716 nan 8.230 nan 0.000 0.420 633 R N 2.748 123.329 120.500 0.134 0.000 2.604 633 R HA 0.385 4.695 4.340 -0.050 0.000 0.287 633 R C -1.220 174.994 176.300 -0.144 0.000 0.970 633 R CA -0.679 55.397 56.100 -0.041 0.000 0.946 633 R CB 1.361 31.425 30.300 -0.393 0.000 1.127 633 R HN 0.793 nan 8.270 nan 0.000 0.473 634 D N 1.181 121.268 120.400 -0.521 0.000 2.177 634 D HA 0.134 4.744 4.640 -0.050 0.000 0.247 634 D C 1.035 177.043 176.300 -0.488 0.000 1.063 634 D CA -0.432 53.137 54.000 -0.719 0.000 0.867 634 D CB 1.317 41.120 40.800 -1.662 0.000 1.168 634 D HN 0.402 nan 8.370 nan 0.000 0.445 635 R N 2.693 122.951 120.500 -0.404 0.000 2.070 635 R HA -0.135 4.175 4.340 -0.050 0.000 0.232 635 R C 0.568 176.601 176.300 -0.445 0.000 1.138 635 R CA 1.546 57.436 56.100 -0.349 0.000 0.936 635 R CB -0.169 29.981 30.300 -0.251 0.000 0.839 635 R HN 0.618 nan 8.270 nan 0.000 0.429 636 D N 0.209 120.389 120.400 -0.367 0.000 2.081 636 D HA -0.137 4.473 4.640 -0.050 0.000 0.194 636 D C 1.961 178.028 176.300 -0.387 0.000 0.986 636 D CA 2.140 55.944 54.000 -0.327 0.000 0.837 636 D CB -0.500 40.214 40.800 -0.142 0.000 0.985 636 D HN 0.342 nan 8.370 nan 0.000 0.448 637 S N -0.186 115.304 115.700 -0.349 0.000 2.402 637 S HA -0.135 4.305 4.470 -0.050 0.000 0.229 637 S C 1.653 176.088 174.600 -0.275 0.000 1.021 637 S CA 1.352 59.390 58.200 -0.271 0.000 0.974 637 S CB -0.020 63.041 63.200 -0.232 0.000 0.800 637 S HN 0.360 nan 8.310 nan 0.000 0.484 638 M N -0.927 118.459 119.600 -0.356 0.000 2.961 638 M HA -0.199 4.251 4.480 -0.050 0.000 0.198 638 M C -0.182 176.002 176.300 -0.193 0.000 0.610 638 M CA 0.518 55.635 55.300 -0.304 0.000 0.755 638 M CB -1.058 31.379 32.600 -0.272 0.000 2.707 638 M HN 0.396 nan 8.290 nan 0.000 0.299 639 R N 1.108 121.531 120.500 -0.128 0.000 2.615 639 R HA 0.441 4.751 4.340 -0.050 0.000 0.270 639 R C -0.151 176.290 176.300 0.235 0.000 1.081 639 R CA 0.056 56.213 56.100 0.095 0.000 1.154 639 R CB 0.556 31.023 30.300 0.277 0.000 1.063 639 R HN 0.381 nan 8.270 nan 0.000 0.519 640 Q N 1.417 121.403 119.800 0.309 0.000 2.423 640 Q HA 0.561 4.871 4.340 -0.050 0.000 0.278 640 Q C -0.702 175.501 176.000 0.339 0.000 1.097 640 Q CA -0.887 55.122 55.803 0.345 0.000 0.809 640 Q CB 2.665 31.551 28.738 0.248 0.000 1.391 640 Q HN 0.550 nan 8.270 nan 0.000 0.428 641 I N -2.387 118.328 120.570 0.241 0.000 3.239 641 I HA 0.785 4.925 4.170 -0.050 0.000 0.314 641 I C -1.105 175.005 176.117 -0.012 0.000 1.126 641 I CA -1.297 60.070 61.300 0.111 0.000 0.973 641 I CB 2.288 40.252 38.000 -0.059 0.000 1.252 641 I HN 0.360 nan 8.210 nan 0.000 0.463 642 R N 2.207 122.693 120.500 -0.022 0.000 2.476 642 R HA 0.893 5.203 4.340 -0.050 0.000 0.305 642 R C -1.483 174.765 176.300 -0.086 0.000 0.965 642 R CA -0.186 55.822 56.100 -0.154 0.000 0.867 642 R CB 1.627 31.853 30.300 -0.124 0.000 1.176 642 R HN 1.046 nan 8.270 nan 0.000 0.447 643 A N 2.822 125.547 122.820 -0.159 0.000 2.566 643 A HA 0.528 4.818 4.320 -0.050 0.000 0.292 643 A C -1.261 176.256 177.584 -0.112 0.000 1.112 643 A CA -0.821 51.120 52.037 -0.161 0.000 0.707 643 A CB 1.279 19.985 19.000 -0.491 0.000 1.302 643 A HN 0.683 nan 8.150 nan 0.000 0.409 644 E N 0.458 120.628 120.200 -0.050 0.000 2.465 644 E HA 0.055 4.374 4.350 -0.050 0.000 0.260 644 E C 0.634 177.215 176.600 -0.031 0.000 0.980 644 E CA 0.310 56.706 56.400 -0.007 0.000 0.927 644 E CB 0.266 29.986 29.700 0.033 0.000 0.934 644 E HN 0.511 nan 8.360 nan 0.000 0.459 645 I N 3.314 123.892 120.570 0.013 0.000 2.567 645 I HA -0.255 3.885 4.170 -0.050 0.000 0.257 645 I C 1.552 177.668 176.117 -0.000 0.000 1.184 645 I CA 1.546 62.852 61.300 0.011 0.000 1.451 645 I CB -0.022 38.028 38.000 0.085 0.000 1.089 645 I HN 0.676 nan 8.210 nan 0.000 0.441 646 S N -0.904 114.806 115.700 0.016 0.000 2.470 646 S HA -0.044 4.396 4.470 -0.050 0.000 0.225 646 S C 1.634 176.217 174.600 -0.028 0.000 1.006 646 S CA 0.431 58.633 58.200 0.004 0.000 0.934 646 S CB -0.166 63.052 63.200 0.031 0.000 0.778 646 S HN 0.532 nan 8.310 nan 0.000 0.517 647 E N 0.906 121.080 120.200 -0.043 0.000 2.385 647 E HA 0.236 4.556 4.350 -0.050 0.000 0.194 647 E C 1.736 178.247 176.600 -0.148 0.000 1.013 647 E CA 0.202 56.564 56.400 -0.064 0.000 0.866 647 E CB -0.174 29.507 29.700 -0.031 0.000 0.832 647 E HN 0.460 nan 8.360 nan 0.000 0.500 648 L N 0.983 122.104 121.223 -0.171 0.000 2.046 648 L HA -0.118 4.192 4.340 -0.050 0.000 0.208 648 L C -0.730 176.000 176.870 -0.232 0.000 1.077 648 L CA 1.169 55.883 54.840 -0.209 0.000 0.747 648 L CB -1.148 40.813 42.059 -0.163 0.000 0.896 648 L HN 0.114 nan 8.230 nan 0.000 0.432 649 P HA -0.127 nan 4.420 nan 0.000 0.216 649 P C 1.677 178.647 177.300 -0.549 0.000 1.150 649 P CA 1.357 64.181 63.100 -0.459 0.000 0.837 649 P CB 0.091 31.392 31.700 -0.665 0.000 0.786 650 S N -0.038 115.401 115.700 -0.435 0.000 2.355 650 S HA -0.120 4.320 4.470 -0.050 0.000 0.222 650 S C 1.937 176.482 174.600 -0.092 0.000 1.031 650 S CA 1.447 59.545 58.200 -0.171 0.000 0.993 650 S CB -1.145 62.044 63.200 -0.020 0.000 0.859 650 S HN 0.295 nan 8.310 nan 0.000 0.453 651 I N -0.390 120.102 120.570 -0.129 0.000 2.546 651 I HA -0.002 4.138 4.170 -0.050 0.000 0.255 651 I C 1.877 177.894 176.117 -0.167 0.000 1.163 651 I CA 0.871 62.099 61.300 -0.119 0.000 1.457 651 I CB -0.509 37.387 38.000 -0.174 0.000 1.092 651 I HN 0.030 nan 8.210 nan 0.000 0.434 652 V N 1.301 121.090 119.914 -0.208 0.000 2.427 652 V HA -0.246 3.844 4.120 -0.050 0.000 0.248 652 V C 2.758 178.780 176.094 -0.120 0.000 1.051 652 V CA 2.209 64.352 62.300 -0.262 0.000 1.048 652 V CB -0.827 30.886 31.823 -0.184 0.000 0.666 652 V HN 0.568 nan 8.190 nan 0.000 0.456 653 Q N -0.062 119.711 119.800 -0.045 0.000 2.050 653 Q HA -0.259 4.051 4.340 -0.050 0.000 0.202 653 Q C 1.914 177.950 176.000 0.059 0.000 0.980 653 Q CA 2.096 57.931 55.803 0.054 0.000 0.840 653 Q CB -0.106 28.701 28.738 0.115 0.000 0.898 653 Q HN 0.607 nan 8.270 nan 0.000 0.424 654 D N 0.448 120.866 120.400 0.029 0.000 2.178 654 D HA -0.128 4.482 4.640 -0.050 0.000 0.201 654 D C 1.950 178.281 176.300 0.053 0.000 0.980 654 D CA 0.789 54.815 54.000 0.043 0.000 0.842 654 D CB -0.123 40.697 40.800 0.032 0.000 0.948 654 D HN 0.302 nan 8.370 nan 0.000 0.472 655 L N 0.474 121.696 121.223 -0.001 0.000 2.093 655 L HA -0.093 4.217 4.340 -0.050 0.000 0.208 655 L C 2.426 179.437 176.870 0.235 0.000 1.085 655 L CA 0.901 55.765 54.840 0.040 0.000 0.755 655 L CB -0.263 41.598 42.059 -0.331 0.000 0.904 655 L HN -0.018 nan 8.230 nan 0.000 0.435 656 A N -0.289 122.667 122.820 0.227 0.000 1.930 656 A HA -0.091 4.199 4.320 -0.050 0.000 0.217 656 A C 1.200 178.902 177.584 0.197 0.000 1.175 656 A CA 1.022 53.242 52.037 0.305 0.000 0.627 656 A CB -0.417 18.738 19.000 0.258 0.000 0.815 656 A HN 0.386 nan 8.150 nan 0.000 0.443 657 N N -0.904 117.883 118.700 0.145 0.000 2.366 657 N HA 0.368 5.078 4.740 -0.050 0.000 0.277 657 N C 0.927 176.504 175.510 0.112 0.000 1.275 657 N CA 0.381 53.499 53.050 0.113 0.000 0.964 657 N CB -0.076 38.466 38.487 0.091 0.000 1.167 657 N HN 0.102 nan 8.380 nan 0.000 0.568 658 G N -0.566 108.287 108.800 0.090 0.000 3.262 658 G HA2 -0.062 3.868 3.960 -0.050 0.000 0.228 658 G HA3 -0.062 3.868 3.960 -0.050 0.000 0.228 658 G C 0.742 175.688 174.900 0.077 0.000 1.197 658 G CA -0.182 44.969 45.100 0.085 0.000 0.819 658 G HN 0.329 nan 8.290 nan 0.000 0.531 659 N N 1.011 119.757 118.700 0.076 0.000 2.083 659 N HA 0.009 4.719 4.740 -0.050 0.000 0.190 659 N C 1.225 176.771 175.510 0.061 0.000 1.047 659 N CA 0.995 54.082 53.050 0.062 0.000 0.845 659 N CB -0.082 38.440 38.487 0.058 0.000 1.025 659 N HN 0.593 nan 8.380 nan 0.000 0.428 660 I N -1.648 118.963 120.570 0.068 0.000 2.797 660 I HA 0.522 4.662 4.170 -0.050 0.000 0.307 660 I C -0.022 176.154 176.117 0.098 0.000 1.033 660 I CA -0.878 60.462 61.300 0.066 0.000 1.071 660 I CB 2.256 40.285 38.000 0.048 0.000 1.255 660 I HN 0.033 nan 8.210 nan 0.000 0.445 661 T N -0.262 114.354 114.554 0.102 0.000 2.923 661 T HA 0.188 4.508 4.350 -0.050 0.000 0.281 661 T C 0.640 175.458 174.700 0.196 0.000 0.995 661 T CA -0.546 61.651 62.100 0.162 0.000 0.985 661 T CB 1.552 70.505 68.868 0.142 0.000 1.114 661 T HN 0.947 nan 8.240 nan 0.000 0.548 662 W N 0.553 121.901 121.300 0.079 0.000 2.402 662 W HA -0.054 4.576 4.660 -0.050 0.000 0.286 662 W C 2.105 178.660 176.519 0.059 0.000 1.221 662 W CA 1.209 58.599 57.345 0.075 0.000 1.257 662 W CB -0.587 28.933 29.460 0.100 0.000 1.120 662 W HN 0.890 nan 8.180 nan 0.000 0.551 663 A N 0.679 123.572 122.820 0.122 0.000 1.972 663 A HA -0.234 4.056 4.320 -0.050 0.000 0.219 663 A C 1.600 179.145 177.584 -0.066 0.000 1.169 663 A CA 2.059 54.106 52.037 0.016 0.000 0.635 663 A CB -0.833 18.210 19.000 0.072 0.000 0.810 663 A HN 0.241 nan 8.150 nan 0.000 0.446 664 D N -0.301 120.073 120.400 -0.044 0.000 2.123 664 D HA -0.065 4.544 4.640 -0.050 0.000 0.200 664 D C 2.081 178.317 176.300 -0.106 0.000 0.976 664 D CA 1.268 55.234 54.000 -0.056 0.000 0.831 664 D CB -0.493 40.300 40.800 -0.011 0.000 0.974 664 D HN 0.228 nan 8.370 nan 0.000 0.469 665 V N 1.653 121.463 119.914 -0.174 0.000 2.332 665 V HA -0.228 3.862 4.120 -0.050 0.000 0.248 665 V C 2.298 178.250 176.094 -0.236 0.000 1.055 665 V CA 1.669 63.848 62.300 -0.201 0.000 1.038 665 V CB -0.454 31.070 31.823 -0.498 0.000 0.651 665 V HN 0.211 nan 8.190 nan 0.000 0.450 666 E N 0.161 120.104 120.200 -0.429 0.000 2.150 666 E HA -0.160 4.160 4.350 -0.050 0.000 0.193 666 E C 2.329 178.840 176.600 -0.150 0.000 0.985 666 E CA 1.167 57.394 56.400 -0.289 0.000 0.814 666 E CB -0.288 29.243 29.700 -0.281 0.000 0.752 666 E HN 0.612 nan 8.360 nan 0.000 0.466 667 A N 1.382 124.117 122.820 -0.141 0.000 1.902 667 A HA -0.178 4.111 4.320 -0.050 0.000 0.217 667 A C 2.062 179.553 177.584 -0.154 0.000 1.181 667 A CA 1.420 53.389 52.037 -0.113 0.000 0.623 667 A CB -0.194 18.752 19.000 -0.091 0.000 0.818 667 A HN 0.024 nan 8.150 nan 0.000 0.443 668 R N -2.422 117.945 120.500 -0.223 0.000 2.189 668 R HA 0.230 4.540 4.340 -0.050 0.000 0.203 668 R C -0.561 175.362 176.300 -0.629 0.000 1.012 668 R CA 0.461 56.294 56.100 -0.446 0.000 1.015 668 R CB -0.055 29.882 30.300 -0.604 0.000 0.938 668 R HN 0.587 nan 8.270 nan 0.000 0.472 669 Y N 0.530 120.756 120.300 -0.122 0.000 2.485 669 Y HA 0.396 4.916 4.550 -0.050 0.000 0.345 669 Y C -2.080 173.771 175.900 -0.083 0.000 0.998 669 Y CA -3.401 54.637 58.100 -0.104 0.000 1.059 669 Y CB 1.407 39.787 38.460 -0.134 0.000 1.234 669 Y HN -0.128 nan 8.280 nan 0.000 0.461 670 P HA 0.027 nan 4.420 nan 0.000 0.268 670 P C -0.681 176.686 177.300 0.112 0.000 1.204 670 P CA -0.089 63.063 63.100 0.087 0.000 0.768 670 P CB 0.806 32.567 31.700 0.103 0.000 0.842 671 L N 3.989 125.266 121.223 0.091 0.000 2.476 671 L HA 0.329 4.639 4.340 -0.050 0.000 0.264 671 L C 0.481 177.483 176.870 0.220 0.000 1.224 671 L CA 0.481 55.394 54.840 0.122 0.000 0.821 671 L CB -0.678 41.426 42.059 0.074 0.000 1.101 671 L HN 0.343 nan 8.230 nan 0.000 0.488 672 F N -0.741 119.234 119.950 0.042 0.000 2.596 672 F HA 0.633 5.130 4.527 -0.050 0.000 0.311 672 F C -0.181 175.643 175.800 0.041 0.000 1.116 672 F CA -0.276 57.748 58.000 0.041 0.000 0.957 672 F CB 1.508 40.535 39.000 0.045 0.000 1.250 672 F HN 0.492 nan 8.300 nan 0.000 0.444 673 E N 3.240 123.186 120.200 -0.423 0.000 2.293 673 E HA 0.639 4.959 4.350 -0.050 0.000 0.270 673 E C 0.240 176.678 176.600 -0.269 0.000 0.879 673 E CA -0.788 55.483 56.400 -0.215 0.000 0.756 673 E CB 1.089 30.696 29.700 -0.155 0.000 1.208 673 E HN 1.719 nan 8.360 nan 0.000 0.428 674 G N 0.000 108.754 108.800 -0.077 0.000 5.446 674 G HA2 0.000 3.930 3.960 -0.050 0.000 0.244 674 G HA3 0.000 3.930 3.960 -0.050 0.000 0.244 674 G CA 0.000 45.084 45.100 -0.026 0.000 0.502 674 G HN 0.000 nan 8.290 nan 0.000 0.925