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 1o9l_1_C DATA FIRST_RESID 40 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRXXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GXXXXXXXXX XXXXXXXXXX VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMXXXXXXXX XXXXXXXXXX XXXXXCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT T 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 40 T HA 0.000 nan 4.350 nan 0.000 0.228 40 T C 0.000 174.761 174.700 0.101 0.000 1.109 40 T CA 0.000 62.138 62.100 0.064 0.000 1.349 40 T CB 0.000 68.827 68.868 -0.068 0.000 0.612 41 K N 3.189 123.655 120.400 0.110 0.000 2.274 41 K HA 0.657 4.978 4.320 0.001 0.000 0.262 41 K C -1.103 175.620 176.600 0.205 0.000 0.961 41 K CA -0.779 55.627 56.287 0.198 0.000 0.833 41 K CB 0.609 33.215 32.500 0.177 0.000 1.102 41 K HN 0.429 nan 8.250 nan 0.000 0.436 42 F N 3.349 123.348 119.950 0.081 0.000 2.384 42 F HA 0.326 4.853 4.527 0.001 0.000 0.338 42 F C -0.298 175.530 175.800 0.048 0.000 1.103 42 F CA -0.243 57.839 58.000 0.136 0.000 1.157 42 F CB 0.566 39.604 39.000 0.064 0.000 1.167 42 F HN 0.371 nan 8.300 nan 0.000 0.529 43 Y N -0.347 120.068 120.300 0.193 0.000 2.446 43 Y HA 0.312 4.862 4.550 0.001 0.000 0.345 43 Y C 1.099 177.069 175.900 0.117 0.000 0.984 43 Y CA -1.158 57.019 58.100 0.127 0.000 1.058 43 Y CB 1.974 40.485 38.460 0.086 0.000 1.220 43 Y HN 0.628 nan 8.280 nan 0.000 0.455 44 T N -3.334 111.345 114.554 0.209 0.000 3.044 44 T HA 0.098 4.449 4.350 0.001 0.000 0.250 44 T C -0.115 174.664 174.700 0.132 0.000 1.081 44 T CA 0.316 62.502 62.100 0.143 0.000 1.040 44 T CB 0.061 68.980 68.868 0.085 0.000 0.962 44 T HN 0.443 nan 8.240 nan 0.000 0.506 45 D N 0.220 120.721 120.400 0.168 0.000 2.593 45 D HA 0.680 5.320 4.640 0.001 0.000 0.251 45 D C 0.979 177.349 176.300 0.117 0.000 1.140 45 D CA -0.404 53.669 54.000 0.122 0.000 0.855 45 D CB 1.713 42.577 40.800 0.106 0.000 1.267 45 D HN 0.029 nan 8.370 nan 0.000 0.532 46 A N 3.174 126.028 122.820 0.056 0.000 1.933 46 A HA -0.102 4.219 4.320 0.001 0.000 0.218 46 A C 2.095 179.668 177.584 -0.018 0.000 1.175 46 A CA 1.555 53.597 52.037 0.008 0.000 0.628 46 A CB -0.607 18.388 19.000 -0.008 0.000 0.814 46 A HN 0.544 nan 8.150 nan 0.000 0.444 47 V N -0.102 119.813 119.914 0.001 0.000 2.515 47 V HA -0.161 3.959 4.120 0.001 0.000 0.250 47 V C 2.212 178.307 176.094 0.002 0.000 1.058 47 V CA 2.516 64.810 62.300 -0.011 0.000 1.064 47 V CB -0.555 31.267 31.823 -0.003 0.000 0.675 47 V HN 0.540 nan 8.190 nan 0.000 0.461 48 E N 0.645 120.879 120.200 0.058 0.000 2.150 48 E HA -0.095 4.255 4.350 0.001 0.000 0.193 48 E C 2.260 178.904 176.600 0.073 0.000 0.985 48 E CA 1.441 57.917 56.400 0.127 0.000 0.814 48 E CB -0.577 29.272 29.700 0.248 0.000 0.752 48 E HN 0.713 nan 8.360 nan 0.000 0.466 49 A N 0.825 123.561 122.820 -0.140 0.000 2.015 49 A HA -0.088 4.233 4.320 0.001 0.000 0.219 49 A C 2.123 179.544 177.584 -0.271 0.000 1.163 49 A CA 1.500 53.180 52.037 -0.594 0.000 0.646 49 A CB -0.084 18.521 19.000 -0.659 0.000 0.806 49 A HN 0.174 nan 8.150 nan 0.000 0.448 50 V N -3.963 115.859 119.914 -0.154 0.000 3.276 50 V HA 0.298 4.418 4.120 0.001 0.000 0.319 50 V C 1.400 177.393 176.094 -0.168 0.000 1.427 50 V CA 0.578 62.778 62.300 -0.166 0.000 1.102 50 V CB -0.290 31.435 31.823 -0.164 0.000 1.020 50 V HN 0.390 nan 8.190 nan 0.000 0.456 51 K N 2.356 122.706 120.400 -0.083 0.000 2.152 51 K HA -0.202 4.119 4.320 0.001 0.000 0.206 51 K C 1.502 178.063 176.600 -0.065 0.000 1.048 51 K CA 2.159 58.414 56.287 -0.053 0.000 0.933 51 K CB -0.035 32.469 32.500 0.008 0.000 0.721 51 K HN 0.790 nan 8.250 nan 0.000 0.447 52 D N 0.169 120.538 120.400 -0.051 0.000 2.319 52 D HA -0.030 4.610 4.640 0.001 0.000 0.230 52 D C 0.326 176.547 176.300 -0.131 0.000 1.094 52 D CA 0.008 53.997 54.000 -0.017 0.000 0.856 52 D CB -0.382 40.486 40.800 0.113 0.000 0.915 52 D HN 0.190 nan 8.370 nan 0.000 0.517 53 I N 1.780 122.112 120.570 -0.398 0.000 2.505 53 I HA 0.121 4.291 4.170 0.001 0.000 0.287 53 I C -1.976 174.000 176.117 -0.235 0.000 1.104 53 I CA -1.659 59.271 61.300 -0.618 0.000 1.387 53 I CB 0.399 37.931 38.000 -0.779 0.000 1.404 53 I HN -0.244 nan 8.210 nan 0.000 0.528 54 P HA 0.119 nan 4.420 nan 0.000 0.274 54 P C -0.736 176.542 177.300 -0.037 0.000 1.231 54 P CA -0.484 62.599 63.100 -0.027 0.000 0.790 54 P CB 0.435 32.157 31.700 0.038 0.000 0.951 55 N N 0.885 119.569 118.700 -0.026 0.000 2.453 55 N HA 0.199 4.940 4.740 0.001 0.000 0.253 55 N C 1.546 177.051 175.510 -0.009 0.000 1.252 55 N CA 1.265 54.299 53.050 -0.025 0.000 0.917 55 N CB 0.063 38.538 38.487 -0.020 0.000 1.117 55 N HN 0.770 nan 8.380 nan 0.000 0.442 56 G N -0.673 108.121 108.800 -0.010 0.000 2.212 56 G HA2 -0.283 3.678 3.960 0.001 0.000 0.266 56 G HA3 -0.283 3.678 3.960 0.001 0.000 0.266 56 G C 0.324 175.233 174.900 0.016 0.000 0.978 56 G CA 0.460 45.561 45.100 0.001 0.000 0.632 56 G HN 0.933 nan 8.290 nan 0.000 0.537 57 A N 0.281 123.115 122.820 0.024 0.000 2.425 57 A HA 0.640 4.960 4.320 0.001 0.000 0.242 57 A C 0.934 178.553 177.584 0.058 0.000 1.077 57 A CA 1.347 53.422 52.037 0.064 0.000 0.781 57 A CB 0.299 19.358 19.000 0.099 0.000 1.020 57 A HN 1.858 nan 8.150 nan 0.000 0.494 58 T N 0.012 114.614 114.554 0.080 0.000 2.767 58 T HA 0.554 4.905 4.350 0.001 0.000 0.288 58 T C -0.550 174.208 174.700 0.097 0.000 0.963 58 T CA -0.563 61.575 62.100 0.062 0.000 1.019 58 T CB 0.427 69.323 68.868 0.047 0.000 0.923 58 T HN 0.609 nan 8.240 nan 0.000 0.468 59 V N 5.739 125.697 119.914 0.073 0.000 2.540 59 V HA 0.432 4.552 4.120 0.001 0.000 0.302 59 V C 0.097 176.229 176.094 0.064 0.000 1.035 59 V CA -1.048 61.308 62.300 0.094 0.000 0.873 59 V CB 1.640 33.500 31.823 0.062 0.000 0.992 59 V HN 0.879 nan 8.190 nan 0.000 0.428 60 L N 4.893 126.162 121.223 0.078 0.000 2.305 60 L HA 0.601 4.942 4.340 0.001 0.000 0.281 60 L C -0.606 176.297 176.870 0.054 0.000 1.085 60 L CA -0.557 54.317 54.840 0.058 0.000 0.813 60 L CB 1.333 43.432 42.059 0.066 0.000 1.157 60 L HN 0.354 nan 8.230 nan 0.000 0.436 61 V N 2.337 122.269 119.914 0.030 0.000 2.407 61 V HA 0.442 4.562 4.120 0.001 0.000 0.291 61 V C 0.766 176.881 176.094 0.034 0.000 1.018 61 V CA -0.633 61.683 62.300 0.027 0.000 0.842 61 V CB 1.356 33.178 31.823 -0.002 0.000 0.996 61 V HN 0.909 nan 8.190 nan 0.000 0.426 62 G N 2.577 111.422 108.800 0.075 0.000 2.684 62 G HA2 0.578 4.538 3.960 0.001 0.000 0.255 62 G HA3 0.578 4.538 3.960 0.001 0.000 0.255 62 G C 0.319 175.282 174.900 0.105 0.000 1.219 62 G CA 0.444 45.614 45.100 0.115 0.000 0.901 62 G HN 1.717 nan 8.290 nan 0.000 0.548 63 G N -1.909 106.990 108.800 0.165 0.000 2.576 63 G HA2 0.362 4.323 3.960 0.001 0.000 0.686 63 G HA3 0.362 4.323 3.960 0.001 0.000 0.686 63 G C -1.151 173.892 174.900 0.239 0.000 1.242 63 G CA -0.363 44.842 45.100 0.174 0.000 0.819 63 G HN 1.371 nan 8.290 nan 0.000 0.655 64 F N 2.716 122.727 119.950 0.101 0.000 2.496 64 F HA 0.615 5.143 4.527 0.001 0.000 0.341 64 F C 1.056 176.905 175.800 0.082 0.000 1.134 64 F CA 1.280 59.347 58.000 0.113 0.000 0.968 64 F CB 1.120 40.211 39.000 0.151 0.000 1.205 64 F HN 2.240 nan 8.300 nan 0.000 0.436 65 G N 5.048 113.643 108.800 -0.342 0.000 2.574 65 G HA2 -0.318 3.642 3.960 0.001 0.000 0.301 65 G HA3 -0.318 3.642 3.960 0.001 0.000 0.301 65 G C 0.393 175.282 174.900 -0.018 0.000 1.166 65 G CA 0.382 45.355 45.100 -0.212 0.000 0.971 65 G HN 0.747 nan 8.290 nan 0.000 0.542 66 L N 0.365 121.621 121.223 0.055 0.000 2.808 66 L HA 0.334 4.674 4.340 0.001 0.000 0.246 66 L C 1.137 178.094 176.870 0.145 0.000 1.153 66 L CA -0.272 54.647 54.840 0.131 0.000 0.956 66 L CB 0.819 42.975 42.059 0.162 0.000 1.270 66 L HN 0.541 nan 8.230 nan 0.000 0.528 67 C N 1.495 120.881 119.300 0.143 0.000 2.303 67 C HA 0.566 5.027 4.460 0.001 0.000 0.341 67 C C 1.626 176.704 174.990 0.146 0.000 1.244 67 C CA 0.362 59.465 59.018 0.142 0.000 1.765 67 C CB -0.834 27.010 27.740 0.173 0.000 2.379 67 C HN 0.845 nan 8.230 nan 0.000 0.530 68 G N 5.825 114.692 108.800 0.112 0.000 2.182 68 G HA2 -0.207 3.754 3.960 0.001 0.000 0.248 68 G HA3 -0.207 3.754 3.960 0.001 0.000 0.248 68 G C -0.064 174.921 174.900 0.142 0.000 1.042 68 G CA 0.438 45.611 45.100 0.122 0.000 0.775 68 G HN 1.406 nan 8.290 nan 0.000 0.501 69 I N -1.713 118.940 120.570 0.139 0.000 2.440 69 I HA 0.604 4.774 4.170 0.001 0.000 0.294 69 I C -1.868 174.324 176.117 0.126 0.000 0.995 69 I CA -2.986 58.380 61.300 0.110 0.000 1.306 69 I CB 1.583 39.627 38.000 0.072 0.000 1.407 69 I HN -0.074 nan 8.210 nan 0.000 0.501 70 P HA 0.166 nan 4.420 nan 0.000 0.244 70 P C 0.104 177.436 177.300 0.053 0.000 1.769 70 P CA -0.041 63.129 63.100 0.116 0.000 1.102 70 P CB 0.550 32.304 31.700 0.090 0.000 1.937 71 E N 1.852 122.099 120.200 0.079 0.000 2.065 71 E HA -0.266 4.085 4.350 0.001 0.000 0.201 71 E C 1.334 177.888 176.600 -0.076 0.000 1.016 71 E CA 1.902 58.276 56.400 -0.043 0.000 0.818 71 E CB -0.312 29.435 29.700 0.079 0.000 0.749 71 E HN 0.474 nan 8.360 nan 0.000 0.453 72 N N 0.337 119.002 118.700 -0.058 0.000 2.188 72 N HA -0.108 4.632 4.740 0.001 0.000 0.184 72 N C 1.801 177.281 175.510 -0.051 0.000 1.018 72 N CA 0.801 53.801 53.050 -0.083 0.000 0.858 72 N CB -0.085 38.332 38.487 -0.118 0.000 0.989 72 N HN 0.080 nan 8.380 nan 0.000 0.426 73 L N 0.205 121.414 121.223 -0.023 0.000 2.109 73 L HA -0.022 4.318 4.340 0.001 0.000 0.207 73 L C 1.879 178.718 176.870 -0.052 0.000 1.086 73 L CA 0.784 55.606 54.840 -0.030 0.000 0.760 73 L CB -0.308 41.748 42.059 -0.004 0.000 0.910 73 L HN 0.200 nan 8.230 nan 0.000 0.437 74 I N -0.176 120.355 120.570 -0.065 0.000 2.315 74 I HA -0.171 4.000 4.170 0.001 0.000 0.248 74 I C 2.598 178.660 176.117 -0.092 0.000 1.117 74 I CA 1.307 62.553 61.300 -0.089 0.000 1.404 74 I CB -0.725 37.196 38.000 -0.132 0.000 1.071 74 I HN 0.257 nan 8.210 nan 0.000 0.419 75 G N 0.551 109.296 108.800 -0.093 0.000 2.422 75 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 75 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 75 G C 1.862 176.727 174.900 -0.058 0.000 1.146 75 G CA 0.787 45.842 45.100 -0.075 0.000 0.769 75 G HN 0.480 nan 8.290 nan 0.000 0.547 76 A N 0.607 123.393 122.820 -0.057 0.000 1.933 76 A HA 0.106 4.427 4.320 0.001 0.000 0.218 76 A C 2.391 179.938 177.584 -0.061 0.000 1.175 76 A CA 1.111 53.116 52.037 -0.052 0.000 0.628 76 A CB -0.348 18.620 19.000 -0.054 0.000 0.814 76 A HN 0.356 nan 8.150 nan 0.000 0.444 77 L N -0.736 120.445 121.223 -0.070 0.000 2.141 77 L HA -0.140 4.201 4.340 0.001 0.000 0.209 77 L C 2.447 179.280 176.870 -0.063 0.000 1.094 77 L CA 0.789 55.583 54.840 -0.077 0.000 0.763 77 L CB -0.518 41.493 42.059 -0.081 0.000 0.908 77 L HN 0.388 nan 8.230 nan 0.000 0.437 78 L N -0.489 120.701 121.223 -0.056 0.000 2.083 78 L HA -0.191 4.150 4.340 0.001 0.000 0.209 78 L C 2.733 179.581 176.870 -0.037 0.000 1.083 78 L CA 1.007 55.819 54.840 -0.045 0.000 0.752 78 L CB -0.423 41.611 42.059 -0.043 0.000 0.899 78 L HN 0.229 nan 8.230 nan 0.000 0.433 79 K N -0.209 120.169 120.400 -0.037 0.000 2.001 79 K HA -0.113 4.208 4.320 0.001 0.000 0.208 79 K C 2.185 178.766 176.600 -0.031 0.000 1.048 79 K CA 2.007 58.277 56.287 -0.029 0.000 0.932 79 K CB -0.985 31.500 32.500 -0.026 0.000 0.715 79 K HN 0.422 nan 8.250 nan 0.000 0.437 80 T N -1.979 112.550 114.554 -0.042 0.000 2.915 80 T HA -0.000 4.350 4.350 0.001 0.000 0.269 80 T C 1.573 176.247 174.700 -0.044 0.000 1.071 80 T CA 1.389 63.462 62.100 -0.045 0.000 1.132 80 T CB -0.380 68.450 68.868 -0.064 0.000 0.878 80 T HN 0.412 nan 8.240 nan 0.000 0.479 81 G N 1.263 110.036 108.800 -0.046 0.000 2.155 81 G HA2 -0.257 3.703 3.960 0.001 0.000 0.257 81 G HA3 -0.257 3.703 3.960 0.001 0.000 0.257 81 G C 0.270 175.142 174.900 -0.046 0.000 0.983 81 G CA 0.311 45.387 45.100 -0.041 0.000 0.676 81 G HN 1.635 nan 8.290 nan 0.000 0.528 82 V N -1.459 118.419 119.914 -0.060 0.000 2.814 82 V HA 0.500 4.621 4.120 0.001 0.000 0.307 82 V C 0.523 176.584 176.094 -0.055 0.000 1.089 82 V CA 0.805 63.066 62.300 -0.065 0.000 1.212 82 V CB 0.803 32.568 31.823 -0.097 0.000 0.912 82 V HN 0.978 nan 8.190 nan 0.000 0.497 83 K N 1.341 121.714 120.400 -0.045 0.000 2.283 83 K HA 0.621 4.942 4.320 0.001 0.000 0.257 83 K C -0.243 176.338 176.600 -0.032 0.000 1.066 83 K CA -0.710 55.555 56.287 -0.038 0.000 0.891 83 K CB 1.086 33.567 32.500 -0.031 0.000 1.438 83 K HN 0.440 nan 8.250 nan 0.000 0.464 84 E N 0.112 120.295 120.200 -0.029 0.000 2.586 84 E HA -0.185 4.165 4.350 0.001 0.000 0.259 84 E C -0.569 176.018 176.600 -0.022 0.000 1.107 84 E CA 0.730 57.116 56.400 -0.023 0.000 0.754 84 E CB -1.875 27.815 29.700 -0.017 0.000 1.335 84 E HN 0.491 nan 8.360 nan 0.000 0.411 85 L N 0.287 121.494 121.223 -0.027 0.000 2.417 85 L HA 0.205 4.546 4.340 0.001 0.000 0.268 85 L C 0.992 177.851 176.870 -0.019 0.000 1.158 85 L CA 0.215 55.042 54.840 -0.022 0.000 0.819 85 L CB 0.693 42.734 42.059 -0.031 0.000 1.112 85 L HN -0.169 nan 8.230 nan 0.000 0.458 86 T N 2.404 116.954 114.554 -0.007 0.000 2.801 86 T HA 0.487 4.838 4.350 0.001 0.000 0.306 86 T C 0.028 174.727 174.700 -0.002 0.000 1.020 86 T CA -0.444 61.651 62.100 -0.008 0.000 0.948 86 T CB 0.981 69.849 68.868 0.001 0.000 0.962 86 T HN 0.648 nan 8.240 nan 0.000 0.465 87 A N 3.672 126.485 122.820 -0.012 0.000 2.260 87 A HA 0.630 4.951 4.320 0.001 0.000 0.308 87 A C 0.011 177.587 177.584 -0.014 0.000 1.254 87 A CA -0.574 51.457 52.037 -0.010 0.000 0.874 87 A CB 0.439 19.429 19.000 -0.017 0.000 1.153 87 A HN 0.655 nan 8.150 nan 0.000 0.527 88 V N 2.970 122.878 119.914 -0.009 0.000 2.318 88 V HA 0.574 4.694 4.120 0.001 0.000 0.271 88 V C 0.355 176.417 176.094 -0.054 0.000 1.030 88 V CA 0.009 62.295 62.300 -0.023 0.000 0.844 88 V CB 0.521 32.346 31.823 0.004 0.000 1.015 88 V HN 0.896 nan 8.190 nan 0.000 0.460 89 S N 3.637 119.276 115.700 -0.101 0.000 2.546 89 S HA 0.299 4.770 4.470 0.001 0.000 0.272 89 S C 0.830 175.275 174.600 -0.259 0.000 1.140 89 S CA -0.641 57.463 58.200 -0.161 0.000 0.920 89 S CB 1.707 64.849 63.200 -0.095 0.000 1.083 89 S HN 0.767 nan 8.310 nan 0.000 0.476 90 N N 3.284 121.705 118.700 -0.465 0.000 2.094 90 N HA -0.119 4.621 4.740 0.001 0.000 0.191 90 N C 0.145 175.507 175.510 -0.246 0.000 1.023 90 N CA 1.455 54.199 53.050 -0.509 0.000 0.857 90 N CB -0.054 37.991 38.487 -0.736 0.000 1.013 90 N HN 0.712 nan 8.380 nan 0.000 0.426 91 N N -1.919 116.657 118.700 -0.208 0.000 3.038 91 N HA 0.482 5.222 4.740 0.001 0.000 0.307 91 N C -1.002 174.426 175.510 -0.137 0.000 1.441 91 N CA -0.557 52.386 53.050 -0.178 0.000 0.772 91 N CB 1.468 39.844 38.487 -0.184 0.000 1.651 91 N HN 0.034 nan 8.380 nan 0.000 0.593 92 A N 0.013 122.749 122.820 -0.139 0.000 2.713 92 A HA 0.656 4.977 4.320 0.001 0.000 0.296 92 A C 1.006 178.566 177.584 -0.040 0.000 1.255 92 A CA 0.196 52.200 52.037 -0.055 0.000 0.955 92 A CB -1.252 17.756 19.000 0.014 0.000 1.149 92 A HN 0.932 nan 8.150 nan 0.000 0.538 93 G N -0.330 108.440 108.800 -0.050 0.000 2.594 93 G HA2 -0.115 3.845 3.960 0.001 0.000 0.297 93 G HA3 -0.115 3.845 3.960 0.001 0.000 0.297 93 G C 0.478 175.381 174.900 0.006 0.000 1.273 93 G CA 1.126 46.223 45.100 -0.006 0.000 0.974 93 G HN 1.827 nan 8.290 nan 0.000 0.552 94 V N -3.197 116.751 119.914 0.058 0.000 3.181 94 V HA 0.774 4.894 4.120 0.001 0.000 0.314 94 V C 1.203 177.336 176.094 0.065 0.000 1.173 94 V CA 0.669 63.001 62.300 0.054 0.000 1.052 94 V CB 1.341 33.209 31.823 0.075 0.000 1.123 94 V HN 0.645 nan 8.190 nan 0.000 0.454 95 D N 1.589 122.022 120.400 0.055 0.000 2.116 95 D HA -0.187 4.453 4.640 0.001 0.000 0.193 95 D C 1.356 177.698 176.300 0.069 0.000 0.998 95 D CA 2.417 56.450 54.000 0.056 0.000 0.836 95 D CB -0.261 40.566 40.800 0.044 0.000 0.951 95 D HN 0.889 nan 8.370 nan 0.000 0.449 96 N N -0.848 117.911 118.700 0.097 0.000 2.273 96 N HA 0.076 4.817 4.740 0.001 0.000 0.231 96 N C -0.623 175.044 175.510 0.262 0.000 1.134 96 N CA -0.178 52.951 53.050 0.130 0.000 0.856 96 N CB 0.384 38.933 38.487 0.103 0.000 1.068 96 N HN 0.129 nan 8.380 nan 0.000 0.510 97 F N -0.312 119.641 119.950 0.006 0.000 2.693 97 F HA 0.532 5.060 4.527 0.001 0.000 0.309 97 F C 0.697 176.502 175.800 0.009 0.000 1.129 97 F CA 0.569 58.574 58.000 0.009 0.000 0.948 97 F CB 1.217 40.224 39.000 0.011 0.000 1.315 97 F HN 0.220 nan 8.300 nan 0.000 0.447 98 G N 2.492 110.970 108.800 -0.536 0.000 2.539 98 G HA2 -0.314 3.646 3.960 0.001 0.000 0.256 98 G HA3 -0.314 3.646 3.960 0.001 0.000 0.256 98 G C 0.371 175.169 174.900 -0.171 0.000 1.233 98 G CA 0.126 45.051 45.100 -0.291 0.000 0.936 98 G HN 1.157 nan 8.290 nan 0.000 0.571 99 L N 2.280 123.450 121.223 -0.088 0.000 2.191 99 L HA 0.169 4.509 4.340 0.001 0.000 0.212 99 L C 3.095 179.948 176.870 -0.029 0.000 1.103 99 L CA 3.108 57.916 54.840 -0.055 0.000 0.769 99 L CB -1.000 41.040 42.059 -0.032 0.000 0.908 99 L HN 1.086 nan 8.230 nan 0.000 0.438 100 G N -0.709 108.085 108.800 -0.010 0.000 2.475 100 G HA2 -0.274 3.687 3.960 0.001 0.000 0.220 100 G HA3 -0.274 3.687 3.960 0.001 0.000 0.220 100 G C 1.603 176.505 174.900 0.004 0.000 1.125 100 G CA 1.091 46.203 45.100 0.020 0.000 0.755 100 G HN 0.441 nan 8.290 nan 0.000 0.565 101 L N -0.241 120.966 121.223 -0.027 0.000 2.083 101 L HA -0.016 4.324 4.340 0.001 0.000 0.209 101 L C 2.787 179.638 176.870 -0.032 0.000 1.083 101 L CA 0.619 55.440 54.840 -0.031 0.000 0.752 101 L CB -0.339 41.677 42.059 -0.072 0.000 0.899 101 L HN 0.193 nan 8.230 nan 0.000 0.433 102 L N -1.097 120.100 121.223 -0.042 0.000 2.291 102 L HA -0.166 4.175 4.340 0.001 0.000 0.214 102 L C 2.316 179.167 176.870 -0.031 0.000 1.120 102 L CA 0.272 55.088 54.840 -0.040 0.000 0.799 102 L CB -0.195 41.836 42.059 -0.046 0.000 0.925 102 L HN 0.245 nan 8.230 nan 0.000 0.446 103 L N -0.695 120.516 121.223 -0.020 0.000 2.095 103 L HA -0.123 4.217 4.340 0.001 0.000 0.204 103 L C 2.514 179.374 176.870 -0.017 0.000 1.080 103 L CA 1.461 56.289 54.840 -0.021 0.000 0.759 103 L CB -0.653 41.410 42.059 0.006 0.000 0.914 103 L HN 0.146 nan 8.230 nan 0.000 0.439 104 Q N -0.428 119.368 119.800 -0.006 0.000 2.096 104 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 104 Q C 2.299 178.293 176.000 -0.011 0.000 0.982 104 Q CA 1.926 57.728 55.803 -0.003 0.000 0.850 104 Q CB -0.263 28.478 28.738 0.005 0.000 0.901 104 Q HN 0.594 nan 8.270 nan 0.000 0.422 105 S N -0.634 115.056 115.700 -0.017 0.000 2.603 105 S HA 0.065 4.536 4.470 0.001 0.000 0.220 105 S C 0.114 174.699 174.600 -0.025 0.000 0.967 105 S CA 0.164 58.352 58.200 -0.020 0.000 0.920 105 S CB -0.103 63.082 63.200 -0.024 0.000 0.773 105 S HN 0.347 nan 8.310 nan 0.000 0.529 106 K N 0.425 120.808 120.400 -0.028 0.000 3.096 106 K HA -0.230 4.091 4.320 0.001 0.000 0.266 106 K C 0.305 176.884 176.600 -0.035 0.000 1.043 106 K CA 0.905 57.172 56.287 -0.033 0.000 0.758 106 K CB -1.822 30.661 32.500 -0.029 0.000 1.260 106 K HN 0.599 nan 8.250 nan 0.000 0.481 107 Q N -0.047 119.730 119.800 -0.037 0.000 2.360 107 Q HA 0.119 4.459 4.340 0.001 0.000 0.202 107 Q C 0.197 176.172 176.000 -0.042 0.000 0.915 107 Q CA 0.246 56.026 55.803 -0.039 0.000 0.943 107 Q CB 0.476 29.188 28.738 -0.042 0.000 1.064 107 Q HN 0.266 nan 8.270 nan 0.000 0.511 108 I N 0.817 121.360 120.570 -0.046 0.000 2.354 108 I HA 0.114 4.285 4.170 0.001 0.000 0.292 108 I C 0.793 176.876 176.117 -0.057 0.000 0.989 108 I CA 0.027 61.297 61.300 -0.050 0.000 1.188 108 I CB 1.565 39.532 38.000 -0.055 0.000 1.342 108 I HN 0.025 nan 8.210 nan 0.000 0.457 109 K N 5.880 126.252 120.400 -0.047 0.000 2.141 109 K HA 0.132 4.452 4.320 0.001 0.000 0.202 109 K C 0.699 177.265 176.600 -0.056 0.000 1.045 109 K CA 0.559 56.820 56.287 -0.044 0.000 0.971 109 K CB 0.759 33.241 32.500 -0.029 0.000 0.795 109 K HN 0.575 nan 8.250 nan 0.000 0.459 110 R N 0.479 120.947 120.500 -0.053 0.000 2.621 110 R HA 0.274 4.614 4.340 0.001 0.000 0.284 110 R C -1.387 174.880 176.300 -0.054 0.000 0.998 110 R CA -0.643 55.420 56.100 -0.061 0.000 0.895 110 R CB 1.366 31.641 30.300 -0.041 0.000 1.195 110 R HN 0.035 nan 8.270 nan 0.000 0.450 111 M N 5.556 125.118 119.600 -0.063 0.000 2.227 111 M HA 0.423 4.903 4.480 0.001 0.000 0.335 111 M C -0.741 175.547 176.300 -0.020 0.000 1.053 111 M CA -0.558 54.731 55.300 -0.019 0.000 0.973 111 M CB 1.607 34.243 32.600 0.059 0.000 1.623 111 M HN 0.552 nan 8.290 nan 0.000 0.434 112 I N 2.538 123.094 120.570 -0.023 0.000 2.390 112 I HA 0.407 4.577 4.170 0.001 0.000 0.283 112 I C -0.292 175.796 176.117 -0.048 0.000 1.016 112 I CA -0.042 61.240 61.300 -0.030 0.000 1.151 112 I CB 1.155 39.142 38.000 -0.022 0.000 1.293 112 I HN 0.630 nan 8.210 nan 0.000 0.458 113 S N 2.115 117.783 115.700 -0.053 0.000 2.705 113 S HA 0.356 4.826 4.470 0.001 0.000 0.280 113 S C 0.466 175.028 174.600 -0.062 0.000 1.174 113 S CA -0.518 57.629 58.200 -0.088 0.000 0.823 113 S CB 1.905 65.041 63.200 -0.106 0.000 1.162 113 S HN 0.654 nan 8.310 nan 0.000 0.487 114 S N -0.572 115.098 115.700 -0.050 0.000 2.514 114 S HA 0.302 4.772 4.470 0.001 0.000 0.223 114 S C -0.290 174.367 174.600 0.094 0.000 1.046 114 S CA 0.021 58.235 58.200 0.023 0.000 0.914 114 S CB -0.021 63.215 63.200 0.060 0.000 0.807 114 S HN 0.721 nan 8.310 nan 0.000 0.497 115 Y N 1.500 121.726 120.300 -0.123 0.000 2.358 115 Y HA 0.490 5.041 4.550 0.001 0.000 0.324 115 Y C -0.506 175.245 175.900 -0.248 0.000 1.123 115 Y CA -1.188 56.822 58.100 -0.151 0.000 1.067 115 Y CB 2.004 40.402 38.460 -0.102 0.000 1.230 115 Y HN 0.114 nan 8.280 nan 0.000 0.429 116 V N 3.252 122.605 119.914 -0.934 0.000 3.006 116 V HA 0.464 4.585 4.120 0.001 0.000 0.357 116 V C 1.314 176.772 176.094 -1.059 0.000 1.377 116 V CA 0.583 62.280 62.300 -1.006 0.000 1.198 116 V CB 0.097 31.029 31.823 -1.485 0.000 1.216 116 V HN 0.923 nan 8.190 nan 0.000 0.520 117 G N 1.491 109.327 108.800 -1.607 0.000 2.777 117 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 117 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 117 G C 0.618 175.292 174.900 -0.376 0.000 1.295 117 G CA 0.912 45.434 45.100 -0.964 0.000 0.800 117 G HN 0.592 nan 8.290 nan 0.000 0.637 118 E N 1.896 121.971 120.200 -0.208 0.000 1.944 118 E HA 0.238 4.588 4.350 0.001 0.000 0.272 118 E C -0.162 176.380 176.600 -0.098 0.000 1.195 118 E CA 0.059 56.404 56.400 -0.092 0.000 0.926 118 E CB -0.052 29.638 29.700 -0.016 0.000 1.051 118 E HN 0.440 nan 8.360 nan 0.000 0.404 119 N N 1.391 120.046 118.700 -0.075 0.000 5.698 119 N HA -0.006 4.735 4.740 0.001 0.000 0.140 119 N C -0.361 175.172 175.510 0.038 0.000 1.032 119 N CA 0.219 53.261 53.050 -0.014 0.000 1.114 119 N CB 0.518 38.993 38.487 -0.020 0.000 1.506 119 N HN 0.200 nan 8.380 nan 0.000 1.091 120 A N 2.531 125.380 122.820 0.049 0.000 1.898 120 A HA -0.065 4.255 4.320 0.001 0.000 0.214 120 A C 1.601 179.240 177.584 0.092 0.000 1.183 120 A CA 1.671 53.745 52.037 0.062 0.000 0.622 120 A CB -0.302 18.719 19.000 0.036 0.000 0.824 120 A HN 0.699 nan 8.150 nan 0.000 0.444 121 E N -0.592 119.658 120.200 0.085 0.000 2.267 121 E HA -0.189 4.161 4.350 0.001 0.000 0.197 121 E C 1.414 178.072 176.600 0.097 0.000 0.998 121 E CA 1.101 57.543 56.400 0.070 0.000 0.830 121 E CB -0.533 29.197 29.700 0.049 0.000 0.751 121 E HN 0.567 nan 8.360 nan 0.000 0.491 122 F N 1.245 121.193 119.950 -0.003 0.000 2.060 122 F HA -0.090 4.438 4.527 0.001 0.000 0.295 122 F C 2.272 178.110 175.800 0.064 0.000 1.120 122 F CA 2.165 60.169 58.000 0.007 0.000 1.205 122 F CB -0.498 38.481 39.000 -0.035 0.000 0.986 122 F HN 0.139 nan 8.300 nan 0.000 0.470 123 E N 0.173 120.605 120.200 0.386 0.000 2.070 123 E HA -0.311 4.040 4.350 0.001 0.000 0.197 123 E C 2.564 179.229 176.600 0.109 0.000 1.004 123 E CA 1.330 57.892 56.400 0.270 0.000 0.805 123 E CB -0.374 29.423 29.700 0.162 0.000 0.744 123 E HN 0.200 nan 8.360 nan 0.000 0.451 124 R N 0.645 121.181 120.500 0.061 0.000 2.096 124 R HA -0.206 4.134 4.340 0.001 0.000 0.240 124 R C 2.144 178.432 176.300 -0.019 0.000 1.139 124 R CA 2.301 58.404 56.100 0.005 0.000 0.952 124 R CB -0.450 29.853 30.300 0.005 0.000 0.854 124 R HN 0.430 nan 8.270 nan 0.000 0.436 125 Q N -1.158 118.627 119.800 -0.024 0.000 2.083 125 Q HA -0.178 4.163 4.340 0.001 0.000 0.198 125 Q C 1.996 177.989 176.000 -0.012 0.000 0.969 125 Q CA 1.437 57.210 55.803 -0.049 0.000 0.838 125 Q CB -0.371 28.306 28.738 -0.102 0.000 0.900 125 Q HN 0.351 nan 8.270 nan 0.000 0.436 126 Y N 1.796 121.983 120.300 -0.190 0.000 2.114 126 Y HA -0.185 4.365 4.550 0.001 0.000 0.284 126 Y C 1.845 177.745 175.900 0.001 0.000 1.143 126 Y CA 1.302 59.336 58.100 -0.110 0.000 1.135 126 Y CB -0.502 37.886 38.460 -0.120 0.000 0.980 126 Y HN -0.011 nan 8.280 nan 0.000 0.499 127 L N -0.141 120.942 121.223 -0.234 0.000 2.083 127 L HA -0.147 4.193 4.340 0.001 0.000 0.209 127 L C 2.559 179.198 176.870 -0.385 0.000 1.083 127 L CA 1.143 55.677 54.840 -0.510 0.000 0.752 127 L CB -1.069 40.789 42.059 -0.335 0.000 0.899 127 L HN 0.278 nan 8.230 nan 0.000 0.433 128 A N 0.097 122.808 122.820 -0.182 0.000 2.248 128 A HA 0.134 4.454 4.320 0.001 0.000 0.210 128 A C 1.727 179.263 177.584 -0.080 0.000 1.174 128 A CA 0.818 52.782 52.037 -0.123 0.000 0.750 128 A CB -0.901 18.057 19.000 -0.071 0.000 0.780 128 A HN 0.580 nan 8.150 nan 0.000 0.478 129 G N -0.823 107.945 108.800 -0.053 0.000 2.221 129 G HA2 -0.282 3.678 3.960 0.001 0.000 0.265 129 G HA3 -0.282 3.678 3.960 0.001 0.000 0.265 129 G C 0.409 175.347 174.900 0.063 0.000 1.041 129 G CA 0.843 45.993 45.100 0.084 0.000 0.807 129 G HN 0.583 nan 8.290 nan 0.000 0.502 130 E N -1.458 118.763 120.200 0.036 0.000 2.511 130 E HA 0.455 4.805 4.350 0.001 0.000 0.209 130 E C 0.479 177.077 176.600 -0.003 0.000 0.986 130 E CA -0.119 56.286 56.400 0.008 0.000 0.974 130 E CB 0.266 29.956 29.700 -0.017 0.000 1.030 130 E HN 0.622 nan 8.360 nan 0.000 0.490 131 L N 1.039 122.276 121.223 0.023 0.000 2.409 131 L HA 0.481 4.822 4.340 0.001 0.000 0.272 131 L C -1.248 175.631 176.870 0.014 0.000 0.980 131 L CA -0.524 54.286 54.840 -0.050 0.000 0.826 131 L CB 1.949 43.875 42.059 -0.220 0.000 1.268 131 L HN -0.132 nan 8.230 nan 0.000 0.407 132 E N 3.249 123.423 120.200 -0.044 0.000 2.283 132 E HA 0.578 4.929 4.350 0.001 0.000 0.278 132 E C -1.307 175.203 176.600 -0.151 0.000 1.027 132 E CA -0.430 55.947 56.400 -0.039 0.000 0.843 132 E CB 2.352 32.034 29.700 -0.029 0.000 1.062 132 E HN 0.435 nan 8.360 nan 0.000 0.401 133 V N 2.849 122.639 119.914 -0.207 0.000 2.711 133 V HA 0.220 4.340 4.120 0.001 0.000 0.304 133 V C -1.535 174.474 176.094 -0.143 0.000 1.097 133 V CA -0.516 61.651 62.300 -0.222 0.000 0.906 133 V CB 1.842 33.453 31.823 -0.354 0.000 1.015 133 V HN 0.685 nan 8.190 nan 0.000 0.427 134 E N 6.779 126.933 120.200 -0.076 0.000 2.063 134 E HA 0.420 4.771 4.350 0.001 0.000 0.265 134 E C -0.869 175.708 176.600 -0.038 0.000 0.919 134 E CA -0.451 55.920 56.400 -0.048 0.000 0.756 134 E CB 1.656 31.336 29.700 -0.034 0.000 1.120 134 E HN 0.642 nan 8.360 nan 0.000 0.414 135 L N 3.357 124.560 121.223 -0.033 0.000 2.315 135 L HA 0.198 4.539 4.340 0.001 0.000 0.283 135 L C 0.504 177.371 176.870 -0.005 0.000 1.089 135 L CA 0.008 54.836 54.840 -0.021 0.000 0.833 135 L CB 0.660 42.714 42.059 -0.009 0.000 1.170 135 L HN 0.404 nan 8.230 nan 0.000 0.442 136 T N 3.623 118.175 114.554 -0.005 0.000 2.861 136 T HA 0.496 4.847 4.350 0.001 0.000 0.287 136 T C -2.658 172.047 174.700 0.008 0.000 1.003 136 T CA -2.210 59.892 62.100 0.004 0.000 0.977 136 T CB 2.033 70.903 68.868 0.003 0.000 0.996 136 T HN 0.133 nan 8.240 nan 0.000 0.448 137 P HA 0.005 nan 4.420 nan 0.000 0.263 137 P C 0.733 177.992 177.300 -0.068 0.000 1.168 137 P CA 0.267 63.359 63.100 -0.014 0.000 0.759 137 P CB 0.400 32.097 31.700 -0.005 0.000 0.782 138 Q N 2.825 122.559 119.800 -0.110 0.000 2.061 138 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 138 Q C 2.164 177.831 176.000 -0.554 0.000 0.984 138 Q CA 2.253 57.968 55.803 -0.148 0.000 0.846 138 Q CB -0.761 27.989 28.738 0.019 0.000 0.902 138 Q HN 0.709 nan 8.270 nan 0.000 0.421 139 G N -0.808 107.263 108.800 -1.214 0.000 2.422 139 G HA2 -0.233 3.727 3.960 0.001 0.000 0.218 139 G HA3 -0.233 3.727 3.960 0.001 0.000 0.218 139 G C 1.332 176.050 174.900 -0.303 0.000 1.146 139 G CA 1.259 45.644 45.100 -1.192 0.000 0.769 139 G HN 0.344 nan 8.290 nan 0.000 0.547 140 T N 0.910 115.384 114.554 -0.133 0.000 2.777 140 T HA -0.080 4.270 4.350 0.001 0.000 0.266 140 T C 2.237 177.003 174.700 0.110 0.000 1.040 140 T CA 1.058 63.201 62.100 0.072 0.000 1.141 140 T CB -0.188 68.727 68.868 0.079 0.000 0.868 140 T HN 0.137 nan 8.240 nan 0.000 0.444 141 L N 1.529 122.796 121.223 0.073 0.000 2.046 141 L HA 0.034 4.374 4.340 0.001 0.000 0.208 141 L C 2.564 179.579 176.870 0.242 0.000 1.077 141 L CA 1.945 56.876 54.840 0.152 0.000 0.747 141 L CB -0.978 41.173 42.059 0.154 0.000 0.896 141 L HN 0.215 nan 8.230 nan 0.000 0.432 142 A N -1.027 121.925 122.820 0.220 0.000 1.898 142 A HA -0.213 4.108 4.320 0.001 0.000 0.216 142 A C 2.259 179.855 177.584 0.019 0.000 1.181 142 A CA 1.648 53.728 52.037 0.072 0.000 0.620 142 A CB -0.642 18.254 19.000 -0.174 0.000 0.819 142 A HN 0.512 nan 8.150 nan 0.000 0.442 143 E N 0.046 120.253 120.200 0.011 0.000 2.107 143 E HA -0.080 4.271 4.350 0.001 0.000 0.191 143 E C 2.153 178.818 176.600 0.107 0.000 0.982 143 E CA 1.081 57.434 56.400 -0.078 0.000 0.809 143 E CB -0.206 29.330 29.700 -0.272 0.000 0.756 143 E HN 0.581 nan 8.360 nan 0.000 0.459 144 R N -0.226 120.452 120.500 0.297 0.000 2.092 144 R HA -0.019 4.322 4.340 0.001 0.000 0.231 144 R C 2.399 178.801 176.300 0.171 0.000 1.119 144 R CA 1.426 57.717 56.100 0.319 0.000 0.970 144 R CB -0.300 30.113 30.300 0.187 0.000 0.864 144 R HN 0.274 nan 8.270 nan 0.000 0.440 145 I N 0.198 120.845 120.570 0.128 0.000 2.202 145 I HA -0.261 3.910 4.170 0.001 0.000 0.242 145 I C 2.788 178.931 176.117 0.043 0.000 1.091 145 I CA 1.090 62.443 61.300 0.089 0.000 1.368 145 I CB -0.283 37.789 38.000 0.119 0.000 1.058 145 I HN 0.149 nan 8.210 nan 0.000 0.410 146 R N 1.510 122.018 120.500 0.012 0.000 2.083 146 R HA -0.205 4.135 4.340 0.001 0.000 0.237 146 R C 2.379 178.676 176.300 -0.005 0.000 1.137 146 R CA 1.779 57.858 56.100 -0.035 0.000 0.951 146 R CB -0.334 29.917 30.300 -0.081 0.000 0.851 146 R HN 0.335 nan 8.270 nan 0.000 0.434 147 A N 0.451 123.293 122.820 0.037 0.000 1.917 147 A HA -0.126 4.195 4.320 0.001 0.000 0.219 147 A C 2.404 180.033 177.584 0.074 0.000 1.182 147 A CA 1.858 53.946 52.037 0.086 0.000 0.633 147 A CB -1.389 17.757 19.000 0.243 0.000 0.819 147 A HN 0.625 nan 8.150 nan 0.000 0.448 148 G N -1.050 107.792 108.800 0.071 0.000 2.462 148 G HA2 0.045 4.005 3.960 0.001 0.000 0.220 148 G HA3 0.045 4.005 3.960 0.001 0.000 0.220 148 G C 1.331 176.256 174.900 0.042 0.000 1.121 148 G CA 1.255 46.387 45.100 0.054 0.000 0.758 148 G HN 0.776 nan 8.290 nan 0.000 0.559 149 G N -0.152 108.663 108.800 0.025 0.000 2.744 149 G HA2 0.329 4.290 3.960 0.001 0.000 0.211 149 G HA3 0.329 4.290 3.960 0.001 0.000 0.211 149 G C 1.408 176.337 174.900 0.049 0.000 1.146 149 G CA 0.985 46.099 45.100 0.023 0.000 0.787 149 G HN 0.571 nan 8.290 nan 0.000 0.534 150 A N -0.180 122.662 122.820 0.037 0.000 2.345 150 A HA 0.517 4.838 4.320 0.001 0.000 0.225 150 A C 1.783 179.396 177.584 0.047 0.000 1.243 150 A CA 0.980 53.044 52.037 0.044 0.000 0.875 150 A CB -0.354 18.657 19.000 0.018 0.000 0.929 150 A HN 1.399 nan 8.150 nan 0.000 0.502 151 G N -1.138 107.692 108.800 0.051 0.000 2.160 151 G HA2 -0.181 3.779 3.960 0.001 0.000 0.251 151 G HA3 -0.181 3.779 3.960 0.001 0.000 0.251 151 G C 0.030 174.958 174.900 0.046 0.000 1.008 151 G CA 0.273 45.401 45.100 0.046 0.000 0.724 151 G HN 0.823 nan 8.290 nan 0.000 0.514 152 V N 1.924 121.873 119.914 0.057 0.000 2.328 152 V HA 0.358 4.479 4.120 0.001 0.000 0.278 152 V C -0.113 176.029 176.094 0.080 0.000 1.021 152 V CA -0.705 61.639 62.300 0.073 0.000 0.838 152 V CB 1.726 33.605 31.823 0.093 0.000 0.999 152 V HN 0.177 nan 8.190 nan 0.000 0.447 153 P HA 0.100 nan 4.420 nan 0.000 0.220 153 P C 0.251 177.547 177.300 -0.007 0.000 1.152 153 P CA 0.849 63.964 63.100 0.025 0.000 0.812 153 P CB 0.864 32.572 31.700 0.013 0.000 0.792 154 A N -0.956 121.862 122.820 -0.004 0.000 2.610 154 A HA 0.679 5.000 4.320 0.001 0.000 0.291 154 A C -1.452 176.100 177.584 -0.053 0.000 1.086 154 A CA -0.600 51.355 52.037 -0.138 0.000 0.677 154 A CB 0.732 19.616 19.000 -0.194 0.000 1.278 154 A HN 0.122 nan 8.150 nan 0.000 0.414 155 F N -1.976 117.885 119.950 -0.147 0.000 2.741 155 F HA 0.820 5.348 4.527 0.001 0.000 0.313 155 F C -1.853 173.810 175.800 -0.229 0.000 1.153 155 F CA -1.518 56.411 58.000 -0.118 0.000 0.931 155 F CB 0.559 39.528 39.000 -0.051 0.000 1.335 155 F HN 0.513 nan 8.300 nan 0.000 0.460 156 Y N -0.015 120.435 120.300 0.250 0.000 2.457 156 Y HA 0.701 5.252 4.550 0.001 0.000 0.333 156 Y C 0.355 176.459 175.900 0.340 0.000 1.119 156 Y CA -0.591 57.625 58.100 0.193 0.000 1.143 156 Y CB 2.119 40.599 38.460 0.032 0.000 1.230 156 Y HN 0.906 nan 8.280 nan 0.000 0.469 157 T N -0.542 114.345 114.554 0.555 0.000 2.942 157 T HA 0.261 4.611 4.350 0.001 0.000 0.327 157 T C 0.276 175.312 174.700 0.560 0.000 1.360 157 T CA -0.197 62.226 62.100 0.538 0.000 1.055 157 T CB 0.798 69.929 68.868 0.438 0.000 1.261 157 T HN 0.659 nan 8.240 nan 0.000 0.485 158 S N 1.528 117.507 115.700 0.464 0.000 2.528 158 S HA 0.138 4.609 4.470 0.001 0.000 0.219 158 S C 0.845 175.556 174.600 0.186 0.000 0.985 158 S CA -0.026 58.263 58.200 0.147 0.000 0.914 158 S CB -0.336 62.779 63.200 -0.141 0.000 0.776 158 S HN 0.748 nan 8.310 nan 0.000 0.526 159 T N 2.796 117.471 114.554 0.202 0.000 2.831 159 T HA 0.449 4.800 4.350 0.001 0.000 0.291 159 T C 1.319 176.110 174.700 0.151 0.000 0.981 159 T CA 0.919 63.114 62.100 0.158 0.000 1.174 159 T CB 0.243 69.192 68.868 0.135 0.000 0.929 159 T HN 0.889 nan 8.240 nan 0.000 0.532 160 G N 2.735 111.610 108.800 0.125 0.000 2.175 160 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 160 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 160 G C -0.018 174.947 174.900 0.108 0.000 0.982 160 G CA -0.145 45.014 45.100 0.097 0.000 0.641 160 G HN 0.805 nan 8.290 nan 0.000 0.527 161 Y N 1.334 121.660 120.300 0.043 0.000 2.425 161 Y HA 0.386 4.937 4.550 0.001 0.000 0.331 161 Y C 1.339 177.250 175.900 0.019 0.000 1.157 161 Y CA 0.637 58.757 58.100 0.033 0.000 1.372 161 Y CB 0.887 39.361 38.460 0.023 0.000 1.253 161 Y HN 1.460 nan 8.280 nan 0.000 0.536 162 G N 3.283 111.550 108.800 -0.889 0.000 2.198 162 G HA2 -0.228 3.732 3.960 0.001 0.000 0.257 162 G HA3 -0.228 3.732 3.960 0.001 0.000 0.257 162 G C -0.029 174.712 174.900 -0.265 0.000 1.042 162 G CA 0.437 45.147 45.100 -0.651 0.000 0.791 162 G HN 0.894 nan 8.290 nan 0.000 0.502 163 T N -1.061 113.388 114.554 -0.175 0.000 2.865 163 T HA 0.511 4.862 4.350 0.001 0.000 0.294 163 T C 1.584 176.251 174.700 -0.054 0.000 1.119 163 T CA -0.569 61.485 62.100 -0.077 0.000 1.007 163 T CB 1.448 70.299 68.868 -0.028 0.000 1.225 163 T HN 0.069 nan 8.240 nan 0.000 0.515 164 L N 1.483 122.689 121.223 -0.027 0.000 2.353 164 L HA -0.067 4.274 4.340 0.001 0.000 0.220 164 L C 2.290 179.156 176.870 -0.008 0.000 1.133 164 L CA 0.672 55.502 54.840 -0.016 0.000 0.798 164 L CB -0.406 41.652 42.059 -0.002 0.000 0.922 164 L HN 0.469 nan 8.230 nan 0.000 0.445 165 V N -0.397 119.517 119.914 -0.001 0.000 2.307 165 V HA -0.308 3.813 4.120 0.001 0.000 0.245 165 V C 2.442 178.542 176.094 0.010 0.000 1.045 165 V CA 1.922 64.228 62.300 0.009 0.000 1.024 165 V CB -0.491 31.346 31.823 0.024 0.000 0.651 165 V HN 0.546 nan 8.190 nan 0.000 0.449 166 Q N 0.554 120.360 119.800 0.010 0.000 2.016 166 Q HA -0.150 4.191 4.340 0.001 0.000 0.200 166 Q C 0.754 176.755 176.000 0.002 0.000 0.978 166 Q CA 1.169 56.986 55.803 0.023 0.000 0.833 166 Q CB 0.042 28.792 28.738 0.020 0.000 0.895 166 Q HN 0.743 nan 8.270 nan 0.000 0.427 167 E N -0.116 120.070 120.200 -0.023 0.000 2.366 167 E HA 0.271 4.622 4.350 0.001 0.000 0.266 167 E C 0.164 176.756 176.600 -0.014 0.000 1.051 167 E CA -0.165 56.221 56.400 -0.023 0.000 0.884 167 E CB 0.854 30.531 29.700 -0.038 0.000 1.006 167 E HN 0.389 nan 8.360 nan 0.000 0.417 168 G N 0.758 109.551 108.800 -0.012 0.000 2.481 168 G HA2 0.396 4.357 3.960 0.001 0.000 0.251 168 G HA3 0.396 4.357 3.960 0.001 0.000 0.251 168 G C 0.670 175.562 174.900 -0.013 0.000 1.492 168 G CA 0.072 45.165 45.100 -0.012 0.000 1.060 168 G HN 0.776 nan 8.290 nan 0.000 0.553 169 G N -0.956 107.835 108.800 -0.016 0.000 3.076 169 G HA2 -0.038 3.923 3.960 0.001 0.000 0.256 169 G HA3 -0.038 3.923 3.960 0.001 0.000 0.256 169 G C 0.745 175.635 174.900 -0.018 0.000 1.589 169 G CA 1.021 46.111 45.100 -0.016 0.000 1.044 169 G HN 2.284 nan 8.290 nan 0.000 0.563 170 S N 1.888 117.586 115.700 -0.004 0.000 4.268 170 S HA 0.092 4.563 4.470 0.001 0.000 0.291 170 S C -1.804 172.792 174.600 -0.006 0.000 0.440 170 S CA 1.028 59.235 58.200 0.011 0.000 1.363 170 S CB -1.013 62.201 63.200 0.022 0.000 1.853 170 S HN 0.758 nan 8.310 nan 0.000 0.331 171 P HA 0.098 nan 4.420 nan 0.000 0.266 171 P C 0.748 178.025 177.300 -0.037 0.000 1.186 171 P CA 0.092 63.106 63.100 -0.144 0.000 0.767 171 P CB 0.340 31.799 31.700 -0.400 0.000 0.820 172 I N 0.626 121.158 120.570 -0.062 0.000 4.032 172 I HA 0.173 4.343 4.170 0.001 0.000 0.313 172 I C 1.005 177.178 176.117 0.093 0.000 1.272 172 I CA 0.447 61.753 61.300 0.010 0.000 1.307 172 I CB 0.220 38.203 38.000 -0.028 0.000 1.155 172 I HN 0.283 nan 8.210 nan 0.000 0.431 173 K N 0.265 120.639 120.400 -0.043 0.000 2.562 173 K HA 0.403 4.724 4.320 0.001 0.000 0.267 173 K C -1.801 174.687 176.600 -0.186 0.000 0.938 173 K CA -0.548 55.741 56.287 0.004 0.000 0.840 173 K CB 2.139 34.659 32.500 0.034 0.000 1.390 173 K HN -0.237 nan 8.250 nan 0.000 0.428 174 Y N 0.670 120.966 120.300 -0.007 0.000 2.565 174 Y HA 0.327 4.878 4.550 0.001 0.000 0.325 174 Y C 1.373 177.255 175.900 -0.030 0.000 1.221 174 Y CA -0.679 57.395 58.100 -0.043 0.000 1.316 174 Y CB 0.778 39.177 38.460 -0.102 0.000 1.404 174 Y HN 0.578 nan 8.280 nan 0.000 0.527 175 N N 0.125 118.915 118.700 0.150 0.000 2.409 175 N HA -0.033 4.707 4.740 0.001 0.000 0.174 175 N C 0.917 176.454 175.510 0.046 0.000 1.037 175 N CA 0.841 53.933 53.050 0.069 0.000 0.898 175 N CB 0.438 38.952 38.487 0.045 0.000 1.010 175 N HN 0.645 nan 8.380 nan 0.000 0.445 176 K N -1.734 118.689 120.400 0.039 0.000 2.954 176 K HA 0.059 4.379 4.320 0.001 0.000 0.181 176 K C -0.578 175.987 176.600 -0.058 0.000 2.022 176 K CA 0.427 56.710 56.287 -0.007 0.000 1.440 176 K CB 0.787 33.281 32.500 -0.010 0.000 2.298 176 K HN -0.128 nan 8.250 nan 0.000 0.597 177 D N -0.299 120.057 120.400 -0.073 0.000 4.559 177 D HA 0.269 4.909 4.640 0.001 0.000 0.212 177 D C 0.225 176.452 176.300 -0.122 0.000 1.399 177 D CA 1.009 54.915 54.000 -0.156 0.000 0.822 177 D CB 0.033 40.757 40.800 -0.126 0.000 1.402 177 D HN 0.446 nan 8.370 nan 0.000 0.901 178 G N -0.365 108.402 108.800 -0.055 0.000 4.339 178 G HA2 0.124 4.085 3.960 0.001 0.000 0.163 178 G HA3 0.124 4.085 3.960 0.001 0.000 0.163 178 G C -0.093 174.859 174.900 0.087 0.000 1.118 178 G CA 0.339 45.437 45.100 -0.002 0.000 1.022 178 G HN 0.481 nan 8.290 nan 0.000 0.337 179 S N 1.328 117.074 115.700 0.076 0.000 2.549 179 S HA 0.582 5.053 4.470 0.001 0.000 0.279 179 S C -0.180 174.488 174.600 0.113 0.000 1.321 179 S CA -0.276 57.969 58.200 0.076 0.000 1.054 179 S CB 1.519 64.743 63.200 0.039 0.000 0.899 179 S HN 0.253 nan 8.310 nan 0.000 0.497 180 I N 2.927 123.529 120.570 0.053 0.000 2.416 180 I HA 0.364 4.535 4.170 0.001 0.000 0.288 180 I C 1.095 177.183 176.117 -0.048 0.000 1.051 180 I CA -0.096 61.174 61.300 -0.050 0.000 1.375 180 I CB 0.649 38.587 38.000 -0.105 0.000 1.407 180 I HN 0.930 nan 8.210 nan 0.000 0.516 181 A N 7.218 129.998 122.820 -0.066 0.000 1.862 181 A HA 0.356 4.677 4.320 0.001 0.000 0.211 181 A C 0.853 178.407 177.584 -0.051 0.000 1.220 181 A CA 0.805 52.820 52.037 -0.036 0.000 0.616 181 A CB -0.098 18.895 19.000 -0.012 0.000 0.878 181 A HN 0.563 nan 8.150 nan 0.000 0.453 182 I N -0.020 120.505 120.570 -0.075 0.000 2.433 182 I HA 0.586 4.756 4.170 0.001 0.000 0.292 182 I C -0.107 175.960 176.117 -0.082 0.000 1.001 182 I CA -0.616 60.647 61.300 -0.062 0.000 1.119 182 I CB 1.888 39.862 38.000 -0.043 0.000 1.289 182 I HN 0.258 nan 8.210 nan 0.000 0.438 183 A N 4.061 126.845 122.820 -0.060 0.000 2.355 183 A HA 0.714 5.035 4.320 0.001 0.000 0.324 183 A C -0.016 177.545 177.584 -0.037 0.000 1.117 183 A CA -0.595 51.408 52.037 -0.056 0.000 0.785 183 A CB 1.350 20.322 19.000 -0.047 0.000 1.254 183 A HN 0.762 nan 8.150 nan 0.000 0.453 184 S N 1.597 117.278 115.700 -0.031 0.000 2.549 184 S HA 0.327 4.797 4.470 0.001 0.000 0.279 184 S C -0.166 174.422 174.600 -0.019 0.000 1.321 184 S CA -0.313 57.873 58.200 -0.022 0.000 1.054 184 S CB 0.222 63.413 63.200 -0.016 0.000 0.899 184 S HN 0.584 nan 8.310 nan 0.000 0.497 185 K N 2.794 123.183 120.400 -0.018 0.000 2.185 185 K HA 0.384 4.705 4.320 0.001 0.000 0.271 185 K C -2.481 174.112 176.600 -0.012 0.000 1.013 185 K CA -1.783 54.495 56.287 -0.016 0.000 0.943 185 K CB 0.075 32.565 32.500 -0.017 0.000 0.998 185 K HN 0.431 nan 8.250 nan 0.000 0.468 186 P HA 0.093 nan 4.420 nan 0.000 0.272 186 P C -0.784 176.517 177.300 0.001 0.000 1.240 186 P CA -0.247 62.852 63.100 -0.002 0.000 0.791 186 P CB 0.608 32.309 31.700 0.001 0.000 0.978 187 R N 1.503 122.011 120.500 0.014 0.000 2.460 187 R HA 0.297 4.638 4.340 0.001 0.000 0.303 187 R C 0.068 176.398 176.300 0.050 0.000 0.968 187 R CA -0.620 55.490 56.100 0.016 0.000 0.889 187 R CB 0.715 31.029 30.300 0.024 0.000 1.123 187 R HN 0.552 nan 8.270 nan 0.000 0.455 188 E N 1.188 121.414 120.200 0.043 0.000 2.413 188 E HA 0.097 4.448 4.350 0.001 0.000 0.263 188 E C -0.311 176.394 176.600 0.175 0.000 1.015 188 E CA 0.082 56.537 56.400 0.091 0.000 0.916 188 E CB 0.905 30.655 29.700 0.083 0.000 0.947 188 E HN 0.128 nan 8.360 nan 0.000 0.440 189 V N 3.257 123.287 119.914 0.193 0.000 2.667 189 V HA 0.570 4.691 4.120 0.001 0.000 0.308 189 V C -0.073 176.161 176.094 0.234 0.000 1.048 189 V CA -0.679 61.771 62.300 0.249 0.000 0.928 189 V CB 1.812 33.758 31.823 0.205 0.000 1.004 189 V HN 0.635 nan 8.190 nan 0.000 0.444 190 R N 1.852 122.510 120.500 0.263 0.000 2.643 190 R HA 0.468 4.808 4.340 0.001 0.000 0.269 190 R C -1.220 175.099 176.300 0.033 0.000 1.037 190 R CA -0.607 55.527 56.100 0.057 0.000 0.894 190 R CB 2.219 32.460 30.300 -0.098 0.000 1.238 190 R HN 0.859 nan 8.270 nan 0.000 0.459 191 E N 2.828 122.935 120.200 -0.154 0.000 2.216 191 E HA 0.385 4.736 4.350 0.001 0.000 0.279 191 E C -1.545 174.784 176.600 -0.451 0.000 0.997 191 E CA -0.461 55.872 56.400 -0.111 0.000 0.817 191 E CB 0.816 30.482 29.700 -0.057 0.000 1.096 191 E HN 0.346 nan 8.360 nan 0.000 0.393 192 F N 3.257 123.270 119.950 0.106 0.000 2.585 192 F HA 0.276 4.803 4.527 0.001 0.000 0.319 192 F C -0.192 175.645 175.800 0.062 0.000 1.165 192 F CA -1.018 56.986 58.000 0.007 0.000 0.949 192 F CB 1.608 40.486 39.000 -0.203 0.000 1.218 192 F HN 0.500 nan 8.300 nan 0.000 0.453 193 N N 2.287 121.076 118.700 0.150 0.000 2.727 193 N HA -0.211 4.530 4.740 0.001 0.000 0.249 193 N C 1.074 176.611 175.510 0.044 0.000 1.048 193 N CA 1.259 54.362 53.050 0.087 0.000 0.714 193 N CB -1.027 37.520 38.487 0.100 0.000 0.959 193 N HN 1.225 nan 8.380 nan 0.000 0.544 194 G N -0.891 107.899 108.800 -0.016 0.000 2.162 194 G HA2 -0.358 3.602 3.960 0.001 0.000 0.260 194 G HA3 -0.358 3.602 3.960 0.001 0.000 0.260 194 G C -0.160 174.610 174.900 -0.216 0.000 0.976 194 G CA 0.947 45.990 45.100 -0.096 0.000 0.655 194 G HN 0.689 nan 8.290 nan 0.000 0.533 195 Q N -0.334 119.362 119.800 -0.174 0.000 2.387 195 Q HA 0.550 4.890 4.340 0.001 0.000 0.273 195 Q C -0.777 174.879 176.000 -0.573 0.000 1.089 195 Q CA -0.983 54.569 55.803 -0.418 0.000 0.824 195 Q CB 1.199 29.769 28.738 -0.280 0.000 1.367 195 Q HN 0.429 nan 8.270 nan 0.000 0.443 196 H N 2.192 120.884 119.070 -0.629 0.000 2.489 196 H HA 0.411 4.967 4.556 0.001 0.000 0.322 196 H C -0.988 173.788 175.328 -0.919 0.000 1.091 196 H CA 0.079 55.700 56.048 -0.712 0.000 1.291 196 H CB 0.380 29.428 29.762 -1.189 0.000 1.436 196 H HN 0.400 nan 8.280 nan 0.000 0.480 197 F N 1.657 121.631 119.950 0.040 0.000 2.603 197 F HA 0.435 4.963 4.527 0.001 0.000 0.317 197 F C 0.493 176.505 175.800 0.353 0.000 1.066 197 F CA -1.150 56.979 58.000 0.214 0.000 0.941 197 F CB 1.601 40.803 39.000 0.338 0.000 1.291 197 F HN 0.353 nan 8.300 nan 0.000 0.472 198 I N 0.481 121.361 120.570 0.516 0.000 2.648 198 I HA 0.694 4.865 4.170 0.001 0.000 0.304 198 I C -1.397 174.800 176.117 0.134 0.000 1.009 198 I CA -1.202 60.305 61.300 0.344 0.000 1.114 198 I CB 2.004 40.142 38.000 0.229 0.000 1.293 198 I HN 0.455 nan 8.210 nan 0.000 0.449 199 L N 4.156 125.308 121.223 -0.118 0.000 2.305 199 L HA 0.479 4.820 4.340 0.001 0.000 0.281 199 L C -0.355 176.278 176.870 -0.395 0.000 1.085 199 L CA 0.596 55.114 54.840 -0.537 0.000 0.813 199 L CB 0.504 42.234 42.059 -0.547 0.000 1.157 199 L HN 0.604 nan 8.230 nan 0.000 0.436 200 E N 4.044 123.874 120.200 -0.616 0.000 2.288 200 E HA 0.409 4.759 4.350 0.001 0.000 0.268 200 E C -1.115 175.103 176.600 -0.636 0.000 0.885 200 E CA -0.601 55.455 56.400 -0.573 0.000 0.767 200 E CB 1.952 31.270 29.700 -0.637 0.000 1.220 200 E HN 0.594 nan 8.360 nan 0.000 0.427 201 E N 0.535 120.527 120.200 -0.347 0.000 2.214 201 E HA 0.554 4.904 4.350 0.001 0.000 0.274 201 E C -0.496 176.034 176.600 -0.116 0.000 0.977 201 E CA -0.865 55.403 56.400 -0.221 0.000 0.827 201 E CB 1.833 31.456 29.700 -0.128 0.000 1.130 201 E HN 0.539 nan 8.360 nan 0.000 0.394 202 A N 2.783 125.583 122.820 -0.034 0.000 2.507 202 A HA 0.174 4.495 4.320 0.001 0.000 0.235 202 A C -0.097 177.506 177.584 0.033 0.000 1.070 202 A CA 0.344 52.411 52.037 0.050 0.000 0.768 202 A CB 0.081 19.119 19.000 0.062 0.000 1.011 202 A HN 0.548 nan 8.150 nan 0.000 0.502 203 I N 1.256 121.859 120.570 0.056 0.000 2.474 203 I HA 0.477 4.647 4.170 0.001 0.000 0.294 203 I C 0.389 176.534 176.117 0.046 0.000 1.005 203 I CA -0.277 61.050 61.300 0.044 0.000 1.113 203 I CB 1.762 39.795 38.000 0.054 0.000 1.289 203 I HN 0.741 nan 8.210 nan 0.000 0.436 204 R N 2.792 123.315 120.500 0.037 0.000 2.808 204 R HA 0.749 5.089 4.340 0.001 0.000 0.272 204 R C -0.665 175.657 176.300 0.038 0.000 0.995 204 R CA -0.878 55.244 56.100 0.037 0.000 0.917 204 R CB 2.538 32.857 30.300 0.032 0.000 1.217 204 R HN 0.777 nan 8.270 nan 0.000 0.471 205 G N -0.553 108.271 108.800 0.040 0.000 2.630 205 G HA2 0.211 4.172 3.960 0.001 0.000 0.296 205 G HA3 0.211 4.172 3.960 0.001 0.000 0.296 205 G C -0.344 174.581 174.900 0.041 0.000 1.285 205 G CA -0.448 44.685 45.100 0.055 0.000 0.958 205 G HN 0.533 nan 8.290 nan 0.000 0.479 206 D N -0.773 119.679 120.400 0.088 0.000 2.162 206 D HA 0.071 4.711 4.640 0.001 0.000 0.203 206 D C -0.165 176.046 176.300 -0.148 0.000 0.967 206 D CA 1.335 55.363 54.000 0.047 0.000 0.840 206 D CB 0.262 41.212 40.800 0.251 0.000 0.972 206 D HN 0.165 nan 8.370 nan 0.000 0.482 207 F N -0.444 119.526 119.950 0.032 0.000 2.613 207 F HA 0.564 5.092 4.527 0.001 0.000 0.314 207 F C -0.485 175.328 175.800 0.022 0.000 1.075 207 F CA -1.264 56.755 58.000 0.031 0.000 0.945 207 F CB 2.005 41.014 39.000 0.015 0.000 1.310 207 F HN -0.302 nan 8.300 nan 0.000 0.467 208 A N 2.542 125.479 122.820 0.196 0.000 2.359 208 A HA 0.799 5.119 4.320 0.001 0.000 0.303 208 A C -1.651 176.001 177.584 0.113 0.000 1.066 208 A CA -0.568 51.538 52.037 0.116 0.000 0.730 208 A CB 0.887 19.920 19.000 0.056 0.000 1.211 208 A HN 0.721 nan 8.150 nan 0.000 0.439 209 L N 3.523 124.802 121.223 0.093 0.000 2.277 209 L HA 0.502 4.843 4.340 0.001 0.000 0.284 209 L C -0.766 176.155 176.870 0.084 0.000 1.028 209 L CA -0.695 54.189 54.840 0.073 0.000 0.835 209 L CB 1.103 43.189 42.059 0.045 0.000 1.215 209 L HN 0.418 nan 8.230 nan 0.000 0.425 210 V N 2.827 122.799 119.914 0.097 0.000 2.581 210 V HA 0.431 4.552 4.120 0.001 0.000 0.303 210 V C -0.096 176.096 176.094 0.163 0.000 1.041 210 V CA -0.808 61.577 62.300 0.141 0.000 0.907 210 V CB 2.331 34.252 31.823 0.163 0.000 0.994 210 V HN 0.548 nan 8.190 nan 0.000 0.442 211 K N 3.370 123.896 120.400 0.210 0.000 2.235 211 K HA 0.838 5.159 4.320 0.001 0.000 0.266 211 K C -0.572 176.191 176.600 0.273 0.000 0.980 211 K CA 0.007 56.419 56.287 0.208 0.000 0.849 211 K CB 1.373 33.986 32.500 0.189 0.000 1.098 211 K HN 0.902 nan 8.250 nan 0.000 0.445 212 A N 3.270 126.167 122.820 0.128 0.000 2.483 212 A HA 0.547 4.868 4.320 0.001 0.000 0.286 212 A C -0.589 177.012 177.584 0.027 0.000 1.207 212 A CA -0.760 51.242 52.037 -0.058 0.000 0.764 212 A CB 0.197 18.947 19.000 -0.417 0.000 1.341 212 A HN 0.882 nan 8.150 nan 0.000 0.428 213 W N 0.557 121.713 121.300 -0.239 0.000 2.619 213 W HA 0.337 4.998 4.660 0.001 0.000 0.309 213 W C 0.114 176.576 176.519 -0.096 0.000 1.126 213 W CA 1.072 58.329 57.345 -0.146 0.000 1.472 213 W CB -0.074 29.323 29.460 -0.104 0.000 1.164 213 W HN 0.557 nan 8.180 nan 0.000 0.503 214 K N -0.462 119.872 120.400 -0.110 0.000 2.443 214 K HA 0.665 4.986 4.320 0.001 0.000 0.251 214 K C -1.333 175.288 176.600 0.034 0.000 0.972 214 K CA -0.815 55.391 56.287 -0.134 0.000 0.833 214 K CB 2.215 34.552 32.500 -0.271 0.000 1.317 214 K HN -0.139 nan 8.250 nan 0.000 0.441 215 A N 1.592 124.477 122.820 0.108 0.000 2.455 215 A HA 0.436 4.756 4.320 0.001 0.000 0.300 215 A C -1.436 176.227 177.584 0.130 0.000 1.040 215 A CA -0.862 51.275 52.037 0.165 0.000 0.697 215 A CB 0.990 20.038 19.000 0.080 0.000 1.265 215 A HN 0.805 nan 8.150 nan 0.000 0.407 216 D N 1.063 121.551 120.400 0.146 0.000 2.423 216 D HA 0.264 4.904 4.640 0.001 0.000 0.255 216 D C 0.722 177.098 176.300 0.127 0.000 1.174 216 D CA -0.349 53.611 54.000 -0.067 0.000 1.008 216 D CB 0.425 41.100 40.800 -0.209 0.000 1.101 216 D HN 0.463 nan 8.370 nan 0.000 0.516 217 Q N -0.679 119.148 119.800 0.046 0.000 2.364 217 Q HA -0.034 4.307 4.340 0.001 0.000 0.209 217 Q C 1.744 177.886 176.000 0.236 0.000 0.977 217 Q CA 1.436 57.278 55.803 0.065 0.000 0.885 217 Q CB -0.149 28.522 28.738 -0.111 0.000 0.941 217 Q HN 0.628 nan 8.270 nan 0.000 0.464 218 A N -0.553 122.379 122.820 0.187 0.000 2.123 218 A HA 0.257 4.577 4.320 0.001 0.000 0.214 218 A C 1.593 179.320 177.584 0.238 0.000 1.152 218 A CA 0.992 53.143 52.037 0.189 0.000 0.728 218 A CB -0.079 18.983 19.000 0.104 0.000 0.814 218 A HN 0.441 nan 8.150 nan 0.000 0.464 219 G N -1.146 107.806 108.800 0.253 0.000 2.184 219 G HA2 -0.192 3.769 3.960 0.001 0.000 0.206 219 G HA3 -0.192 3.769 3.960 0.001 0.000 0.206 219 G C -0.113 174.830 174.900 0.072 0.000 0.995 219 G CA -0.061 45.088 45.100 0.082 0.000 0.651 219 G HN 0.428 nan 8.290 nan 0.000 0.511 220 N N 0.514 119.297 118.700 0.138 0.000 2.518 220 N HA 0.469 5.209 4.740 0.001 0.000 0.266 220 N C 0.400 175.976 175.510 0.111 0.000 1.196 220 N CA 0.864 53.991 53.050 0.128 0.000 0.947 220 N CB 2.220 40.824 38.487 0.195 0.000 1.098 220 N HN 1.026 nan 8.380 nan 0.000 0.450 221 V N -1.198 118.677 119.914 -0.066 0.000 3.040 221 V HA 0.858 4.979 4.120 0.001 0.000 0.312 221 V C -0.099 175.675 176.094 -0.532 0.000 1.115 221 V CA -0.684 61.472 62.300 -0.240 0.000 0.998 221 V CB 1.861 33.530 31.823 -0.257 0.000 1.042 221 V HN 0.810 nan 8.190 nan 0.000 0.433 222 T N 0.334 114.484 114.554 -0.674 0.000 2.906 222 T HA 0.826 5.177 4.350 0.001 0.000 0.295 222 T C -1.077 173.364 174.700 -0.432 0.000 1.075 222 T CA -0.485 61.193 62.100 -0.703 0.000 1.005 222 T CB 1.724 70.051 68.868 -0.901 0.000 1.136 222 T HN 0.684 nan 8.240 nan 0.000 0.498 223 F N 0.006 120.222 119.950 0.444 0.000 2.546 223 F HA 0.682 5.210 4.527 0.001 0.000 0.320 223 F C 0.556 176.496 175.800 0.235 0.000 1.076 223 F CA -1.228 56.954 58.000 0.303 0.000 0.928 223 F CB 2.103 41.195 39.000 0.154 0.000 1.189 223 F HN 0.537 nan 8.300 nan 0.000 0.465 224 R N 2.820 123.377 120.500 0.095 0.000 2.294 224 R HA 0.389 4.729 4.340 0.001 0.000 0.319 224 R C 0.052 176.064 176.300 -0.480 0.000 0.984 224 R CA -0.247 55.611 56.100 -0.405 0.000 0.861 224 R CB 0.595 30.237 30.300 -1.097 0.000 1.104 224 R HN 0.804 nan 8.270 nan 0.000 0.451 225 K N 0.655 120.616 120.400 -0.730 0.000 2.004 225 K HA -0.312 4.008 4.320 0.001 0.000 0.116 225 K C 0.754 176.673 176.600 -1.134 0.000 1.340 225 K CA 1.915 57.258 56.287 -1.574 0.000 0.509 225 K CB -1.330 30.530 32.500 -1.067 0.000 0.538 225 K HN 0.763 nan 8.250 nan 0.000 0.955 226 S N 0.412 115.656 115.700 -0.759 0.000 2.650 226 S HA 0.217 4.687 4.470 0.001 0.000 0.219 226 S C 1.407 175.880 174.600 -0.211 0.000 0.960 226 S CA 0.536 58.526 58.200 -0.350 0.000 0.925 226 S CB 0.362 63.452 63.200 -0.184 0.000 0.775 226 S HN 0.595 nan 8.310 nan 0.000 0.525 227 A N 1.317 124.023 122.820 -0.190 0.000 2.235 227 A HA 0.232 4.552 4.320 0.001 0.000 0.208 227 A C 2.080 179.657 177.584 -0.012 0.000 1.172 227 A CA 0.449 52.454 52.037 -0.052 0.000 0.786 227 A CB -0.515 18.456 19.000 -0.049 0.000 0.804 227 A HN 0.591 nan 8.150 nan 0.000 0.479 228 R N 0.821 121.246 120.500 -0.124 0.000 2.056 228 R HA -0.160 4.180 4.340 0.001 0.000 0.227 228 R C 1.766 177.881 176.300 -0.309 0.000 1.149 228 R CA 1.783 57.697 56.100 -0.310 0.000 0.937 228 R CB -0.440 29.661 30.300 -0.332 0.000 0.835 228 R HN 0.697 nan 8.270 nan 0.000 0.430 229 N N -0.828 117.738 118.700 -0.224 0.000 1.122 229 N HA -0.364 4.377 4.740 0.001 0.000 0.145 229 N C 0.921 176.308 175.510 -0.205 0.000 0.360 229 N CA 2.664 55.618 53.050 -0.161 0.000 1.017 229 N CB -1.485 37.056 38.487 0.089 0.000 1.540 229 N HN 0.233 nan 8.380 nan 0.000 0.447 230 F N 0.167 120.092 119.950 -0.041 0.000 2.615 230 F HA 0.245 4.772 4.527 0.001 0.000 0.297 230 F C 2.178 177.925 175.800 -0.088 0.000 1.124 230 F CA 0.166 58.147 58.000 -0.033 0.000 1.451 230 F CB -0.327 38.698 39.000 0.041 0.000 1.103 230 F HN 0.248 nan 8.300 nan 0.000 0.569 231 N N 0.765 119.472 118.700 0.011 0.000 2.069 231 N HA -0.212 4.529 4.740 0.001 0.000 0.191 231 N C 2.119 177.531 175.510 -0.163 0.000 1.031 231 N CA 1.285 54.317 53.050 -0.030 0.000 0.852 231 N CB -0.646 37.857 38.487 0.026 0.000 1.018 231 N HN 0.333 nan 8.380 nan 0.000 0.423 232 L N 2.071 122.993 121.223 -0.503 0.000 1.955 232 L HA -0.098 4.243 4.340 0.001 0.000 0.213 232 L C -0.682 176.070 176.870 -0.197 0.000 1.072 232 L CA 1.774 56.374 54.840 -0.399 0.000 0.755 232 L CB -1.263 40.496 42.059 -0.500 0.000 0.888 232 L HN 0.133 nan 8.230 nan 0.000 0.432 233 P HA -0.199 nan 4.420 nan 0.000 0.217 233 P C 1.824 179.069 177.300 -0.091 0.000 1.150 233 P CA 1.789 64.800 63.100 -0.149 0.000 0.832 233 P CB -0.140 31.482 31.700 -0.131 0.000 0.787 234 M N -0.804 118.787 119.600 -0.016 0.000 2.202 234 M HA -0.151 4.330 4.480 0.001 0.000 0.262 234 M C 2.408 178.696 176.300 -0.019 0.000 1.063 234 M CA 1.352 56.667 55.300 0.024 0.000 1.097 234 M CB -1.122 31.528 32.600 0.083 0.000 1.382 234 M HN 0.035 nan 8.290 nan 0.000 0.413 235 C N 0.926 120.200 119.300 -0.043 0.000 2.430 235 C HA -0.119 4.341 4.460 0.001 0.000 0.288 235 C C 2.160 177.051 174.990 -0.165 0.000 1.448 235 C CA 1.119 60.100 59.018 -0.062 0.000 1.784 235 C CB -0.998 26.745 27.740 0.005 0.000 1.776 235 C HN 0.439 nan 8.230 nan 0.000 0.547 236 K N -0.494 119.761 120.400 -0.242 0.000 2.373 236 K HA 0.252 4.572 4.320 0.001 0.000 0.200 236 K C 1.060 177.619 176.600 -0.068 0.000 1.054 236 K CA 0.560 56.669 56.287 -0.296 0.000 1.065 236 K CB 0.312 32.466 32.500 -0.577 0.000 0.886 236 K HN 0.262 nan 8.250 nan 0.000 0.546 237 A N 1.325 124.122 122.820 -0.038 0.000 2.610 237 A HA 0.587 4.907 4.320 0.001 0.000 0.286 237 A C -0.008 177.592 177.584 0.026 0.000 1.306 237 A CA -0.295 51.747 52.037 0.010 0.000 0.942 237 A CB 0.174 19.183 19.000 0.015 0.000 1.112 237 A HN 0.174 nan 8.150 nan 0.000 0.527 238 A N -0.884 121.952 122.820 0.028 0.000 2.498 238 A HA 0.644 4.964 4.320 0.001 0.000 0.298 238 A C 0.530 178.135 177.584 0.035 0.000 1.075 238 A CA -0.118 51.929 52.037 0.018 0.000 0.714 238 A CB 0.943 19.947 19.000 0.007 0.000 1.299 238 A HN 0.156 nan 8.150 nan 0.000 0.407 239 E N 0.705 120.882 120.200 -0.038 0.000 2.058 239 E HA -0.066 4.284 4.350 0.001 0.000 0.194 239 E C 0.253 176.826 176.600 -0.044 0.000 0.997 239 E CA 2.258 58.619 56.400 -0.065 0.000 0.801 239 E CB 0.096 29.701 29.700 -0.158 0.000 0.746 239 E HN 0.607 nan 8.360 nan 0.000 0.450 240 T N 0.567 114.996 114.554 -0.208 0.000 2.840 240 T HA 0.382 4.733 4.350 0.001 0.000 0.287 240 T C -0.948 173.741 174.700 -0.018 0.000 0.991 240 T CA -0.453 61.607 62.100 -0.065 0.000 0.964 240 T CB 1.476 70.001 68.868 -0.571 0.000 0.954 240 T HN 0.158 nan 8.240 nan 0.000 0.438 241 T N 0.272 114.838 114.554 0.020 0.000 2.794 241 T HA 0.700 5.051 4.350 0.001 0.000 0.280 241 T C -0.309 174.380 174.700 -0.019 0.000 0.987 241 T CA -0.753 61.295 62.100 -0.087 0.000 0.993 241 T CB 1.023 69.734 68.868 -0.261 0.000 0.939 241 T HN 0.281 nan 8.240 nan 0.000 0.449 242 V N 3.791 123.727 119.914 0.037 0.000 2.378 242 V HA 0.488 4.608 4.120 0.001 0.000 0.288 242 V C -0.179 175.926 176.094 0.019 0.000 1.016 242 V CA -0.835 61.475 62.300 0.017 0.000 0.840 242 V CB 1.379 33.218 31.823 0.026 0.000 0.994 242 V HN 0.894 nan 8.190 nan 0.000 0.431 243 V N 5.115 125.031 119.914 0.002 0.000 2.435 243 V HA 0.508 4.629 4.120 0.001 0.000 0.290 243 V C 0.003 176.120 176.094 0.039 0.000 1.030 243 V CA -0.630 61.687 62.300 0.029 0.000 0.881 243 V CB 1.832 33.658 31.823 0.005 0.000 0.983 243 V HN 1.054 nan 8.190 nan 0.000 0.445 244 E N 4.365 124.617 120.200 0.086 0.000 2.171 244 E HA 0.734 5.085 4.350 0.001 0.000 0.271 244 E C -0.915 175.783 176.600 0.165 0.000 0.916 244 E CA -0.752 55.729 56.400 0.135 0.000 0.774 244 E CB 2.237 32.040 29.700 0.171 0.000 1.128 244 E HN 0.505 nan 8.360 nan 0.000 0.403 245 V N 0.158 120.175 119.914 0.172 0.000 3.046 245 V HA 0.381 4.502 4.120 0.001 0.000 0.316 245 V C 0.548 176.767 176.094 0.207 0.000 1.104 245 V CA -0.768 61.612 62.300 0.134 0.000 1.006 245 V CB 1.722 33.585 31.823 0.068 0.000 1.058 245 V HN 0.865 nan 8.190 nan 0.000 0.440 246 E N 0.599 120.859 120.200 0.099 0.000 2.230 246 E HA 0.112 4.463 4.350 0.001 0.000 0.192 246 E C 0.441 177.137 176.600 0.160 0.000 0.987 246 E CA 1.005 57.479 56.400 0.124 0.000 0.841 246 E CB 0.483 30.186 29.700 0.004 0.000 0.783 246 E HN 0.848 nan 8.360 nan 0.000 0.481 247 E N 0.312 120.563 120.200 0.085 0.000 2.352 247 E HA 0.315 4.665 4.350 0.001 0.000 0.280 247 E C -1.539 175.064 176.600 0.005 0.000 0.930 247 E CA -0.447 55.974 56.400 0.035 0.000 0.765 247 E CB 1.464 31.151 29.700 -0.021 0.000 1.219 247 E HN -0.080 nan 8.360 nan 0.000 0.434 248 I N 4.706 125.287 120.570 0.019 0.000 2.362 248 I HA 0.351 4.521 4.170 0.001 0.000 0.289 248 I C 0.168 176.252 176.117 -0.055 0.000 0.994 248 I CA -0.894 60.420 61.300 0.023 0.000 1.158 248 I CB 1.425 39.482 38.000 0.095 0.000 1.315 248 I HN 0.443 nan 8.210 nan 0.000 0.451 249 V N 2.331 122.167 119.914 -0.130 0.000 3.234 249 V HA 0.596 4.716 4.120 0.001 0.000 0.317 249 V C -0.356 175.607 176.094 -0.218 0.000 1.147 249 V CA -0.871 61.302 62.300 -0.211 0.000 1.037 249 V CB 1.751 33.362 31.823 -0.353 0.000 1.148 249 V HN 0.459 nan 8.190 nan 0.000 0.455 250 D N 0.640 120.902 120.400 -0.230 0.000 2.304 250 D HA 0.440 5.081 4.640 0.001 0.000 0.247 250 D C 0.198 176.357 176.300 -0.235 0.000 1.089 250 D CA -0.045 53.841 54.000 -0.191 0.000 0.910 250 D CB 1.560 42.272 40.800 -0.147 0.000 1.199 250 D HN 0.549 nan 8.370 nan 0.000 0.426 251 I N 0.882 121.357 120.570 -0.158 0.000 2.752 251 I HA 0.096 4.267 4.170 0.001 0.000 0.289 251 I C 1.628 177.663 176.117 -0.136 0.000 1.197 251 I CA 0.804 62.025 61.300 -0.131 0.000 1.432 251 I CB 0.255 38.217 38.000 -0.062 0.000 1.359 251 I HN 0.741 nan 8.210 nan 0.000 0.571 252 G N 3.489 112.205 108.800 -0.140 0.000 2.231 252 G HA2 -0.259 3.701 3.960 0.001 0.000 0.206 252 G HA3 -0.259 3.701 3.960 0.001 0.000 0.206 252 G C 0.943 175.757 174.900 -0.144 0.000 0.996 252 G CA 0.264 45.303 45.100 -0.102 0.000 0.645 252 G HN 0.547 nan 8.290 nan 0.000 0.498 253 S N 0.036 115.558 115.700 -0.296 0.000 2.402 253 S HA 0.291 4.761 4.470 0.001 0.000 0.229 253 S C 0.643 175.108 174.600 -0.225 0.000 1.021 253 S CA 0.723 58.713 58.200 -0.350 0.000 0.974 253 S CB -0.106 62.739 63.200 -0.592 0.000 0.800 253 S HN 0.372 nan 8.310 nan 0.000 0.484 254 F N 1.384 121.289 119.950 -0.076 0.000 2.399 254 F HA 0.656 5.184 4.527 0.001 0.000 0.334 254 F C 0.544 176.320 175.800 -0.040 0.000 1.097 254 F CA -2.353 55.603 58.000 -0.074 0.000 1.076 254 F CB 0.310 39.254 39.000 -0.093 0.000 1.162 254 F HN -0.081 nan 8.300 nan 0.000 0.495 255 A N 4.221 127.152 122.820 0.185 0.000 2.440 255 A HA 0.405 4.726 4.320 0.001 0.000 0.251 255 A C -1.688 175.958 177.584 0.104 0.000 1.089 255 A CA -1.127 50.973 52.037 0.105 0.000 0.779 255 A CB -0.001 19.048 19.000 0.081 0.000 1.022 255 A HN 0.604 nan 8.150 nan 0.000 0.492 256 P HA -0.169 nan 4.420 nan 0.000 0.216 256 P C 0.719 178.053 177.300 0.058 0.000 1.150 256 P CA 1.474 64.615 63.100 0.070 0.000 0.843 256 P CB 0.215 31.946 31.700 0.051 0.000 0.787 257 E N -0.879 119.354 120.200 0.054 0.000 2.347 257 E HA -0.093 4.258 4.350 0.001 0.000 0.196 257 E C 0.671 177.310 176.600 0.064 0.000 1.008 257 E CA 0.838 57.270 56.400 0.053 0.000 0.852 257 E CB -0.535 29.194 29.700 0.048 0.000 0.783 257 E HN 0.331 nan 8.360 nan 0.000 0.505 258 D N -0.165 120.267 120.400 0.053 0.000 2.463 258 D HA 0.125 4.766 4.640 0.001 0.000 0.224 258 D C -0.198 176.039 176.300 -0.104 0.000 1.174 258 D CA -0.045 53.980 54.000 0.042 0.000 0.829 258 D CB 0.317 41.146 40.800 0.048 0.000 0.993 258 D HN 0.179 nan 8.370 nan 0.000 0.497 259 I N 1.033 121.555 120.570 -0.079 0.000 2.337 259 I HA 0.060 4.230 4.170 0.001 0.000 0.291 259 I C 1.505 177.621 176.117 -0.001 0.000 1.046 259 I CA -0.240 60.939 61.300 -0.201 0.000 1.324 259 I CB 0.743 38.706 38.000 -0.062 0.000 1.409 259 I HN -0.014 nan 8.210 nan 0.000 0.494 260 H N 6.071 125.110 119.070 -0.052 0.000 2.395 260 H HA 0.131 4.688 4.556 0.001 0.000 0.299 260 H C 0.059 175.494 175.328 0.179 0.000 1.070 260 H CA 0.457 56.573 56.048 0.112 0.000 1.356 260 H CB 0.499 30.435 29.762 0.290 0.000 1.401 260 H HN 0.325 nan 8.280 nan 0.000 0.524 261 I N 1.609 122.331 120.570 0.254 0.000 2.476 261 I HA 0.233 4.404 4.170 0.001 0.000 0.281 261 I C -2.546 173.688 176.117 0.196 0.000 1.040 261 I CA -2.810 58.654 61.300 0.275 0.000 1.094 261 I CB 1.656 39.838 38.000 0.302 0.000 1.219 261 I HN -0.193 nan 8.210 nan 0.000 0.450 262 P HA 0.098 nan 4.420 nan 0.000 0.269 262 P C 0.849 178.194 177.300 0.076 0.000 1.209 262 P CA -0.252 62.910 63.100 0.104 0.000 0.776 262 P CB 0.624 32.347 31.700 0.037 0.000 0.876 263 K N 3.223 123.649 120.400 0.044 0.000 2.218 263 K HA -0.192 4.129 4.320 0.001 0.000 0.205 263 K C 1.693 178.301 176.600 0.013 0.000 1.046 263 K CA 1.578 57.889 56.287 0.039 0.000 0.933 263 K CB -0.948 31.583 32.500 0.052 0.000 0.728 263 K HN 0.351 nan 8.250 nan 0.000 0.454 264 I N 0.573 121.096 120.570 -0.078 0.000 2.423 264 I HA -0.281 3.889 4.170 0.001 0.000 0.254 264 I C 1.215 177.273 176.117 -0.098 0.000 1.151 264 I CA 1.324 62.540 61.300 -0.140 0.000 1.421 264 I CB 0.053 37.868 38.000 -0.309 0.000 1.079 264 I HN 0.136 nan 8.210 nan 0.000 0.431 265 Y N -0.210 120.113 120.300 0.038 0.000 2.500 265 Y HA 0.184 4.735 4.550 0.001 0.000 0.270 265 Y C 0.819 176.591 175.900 -0.213 0.000 1.134 265 Y CA -0.121 57.952 58.100 -0.044 0.000 1.293 265 Y CB -0.177 38.270 38.460 -0.023 0.000 1.063 265 Y HN -0.178 nan 8.280 nan 0.000 0.534 266 V N 1.242 121.178 119.914 0.036 0.000 2.320 266 V HA 0.083 4.203 4.120 0.001 0.000 0.265 266 V C 0.382 176.493 176.094 0.029 0.000 1.048 266 V CA -0.265 62.008 62.300 -0.046 0.000 0.865 266 V CB 0.186 31.995 31.823 -0.023 0.000 1.043 266 V HN 0.463 nan 8.190 nan 0.000 0.474 267 H N 3.302 122.388 119.070 0.026 0.000 2.355 267 H HA 0.248 4.804 4.556 0.001 0.000 0.303 267 H C 0.715 176.064 175.328 0.036 0.000 1.061 267 H CA 0.347 56.410 56.048 0.025 0.000 1.368 267 H CB 0.435 30.207 29.762 0.018 0.000 1.412 267 H HN 0.410 nan 8.280 nan 0.000 0.523 268 R N 1.005 121.575 120.500 0.117 0.000 2.561 268 R HA 0.416 4.757 4.340 0.001 0.000 0.297 268 R C -1.814 174.465 176.300 -0.035 0.000 0.969 268 R CA -0.852 55.291 56.100 0.071 0.000 0.879 268 R CB 2.671 32.925 30.300 -0.076 0.000 1.178 268 R HN -0.008 nan 8.270 nan 0.000 0.445 269 L N 2.930 124.121 121.223 -0.054 0.000 2.365 269 L HA 0.681 5.022 4.340 0.001 0.000 0.273 269 L C -1.405 175.485 176.870 0.034 0.000 1.000 269 L CA -0.796 53.967 54.840 -0.128 0.000 0.819 269 L CB 2.172 43.954 42.059 -0.462 0.000 1.284 269 L HN 0.437 nan 8.230 nan 0.000 0.418 270 V N 4.566 124.517 119.914 0.061 0.000 2.888 270 V HA 0.504 4.625 4.120 0.001 0.000 0.309 270 V C -1.044 175.133 176.094 0.138 0.000 1.114 270 V CA -0.836 61.543 62.300 0.132 0.000 0.940 270 V CB 2.217 34.098 31.823 0.096 0.000 1.021 270 V HN 0.880 nan 8.190 nan 0.000 0.426 271 K N 4.378 124.873 120.400 0.159 0.000 2.262 271 K HA 0.587 4.908 4.320 0.001 0.000 0.282 271 K C 0.343 177.031 176.600 0.146 0.000 1.066 271 K CA 0.075 56.463 56.287 0.168 0.000 0.901 271 K CB 0.835 33.428 32.500 0.155 0.000 1.089 271 K HN 1.009 nan 8.250 nan 0.000 0.476 272 G N 3.438 112.363 108.800 0.208 0.000 2.305 272 G HA2 -0.065 3.895 3.960 0.001 0.000 0.243 272 G HA3 -0.065 3.895 3.960 0.001 0.000 0.243 272 G C 0.358 175.190 174.900 -0.113 0.000 1.288 272 G CA -0.233 44.862 45.100 -0.009 0.000 0.901 272 G HN 0.888 nan 8.290 nan 0.000 0.516 273 E N 1.102 121.204 120.200 -0.164 0.000 2.028 273 E HA -0.072 4.278 4.350 0.001 0.000 0.191 273 E C 1.060 177.575 176.600 -0.142 0.000 0.988 273 E CA 1.237 57.576 56.400 -0.102 0.000 0.799 273 E CB 0.066 29.723 29.700 -0.072 0.000 0.755 273 E HN 0.712 nan 8.360 nan 0.000 0.447 274 K N -0.795 119.434 120.400 -0.285 0.000 2.443 274 K HA 0.401 4.721 4.320 0.001 0.000 0.251 274 K C -1.610 174.734 176.600 -0.426 0.000 0.972 274 K CA -0.725 55.439 56.287 -0.205 0.000 0.833 274 K CB 1.548 34.002 32.500 -0.076 0.000 1.317 274 K HN -0.165 nan 8.250 nan 0.000 0.441 275 Y N 0.620 120.973 120.300 0.089 0.000 2.322 275 Y HA 0.219 4.769 4.550 0.001 0.000 0.324 275 Y C -1.011 174.945 175.900 0.092 0.000 1.027 275 Y CA -0.698 57.465 58.100 0.105 0.000 1.179 275 Y CB 2.306 40.825 38.460 0.097 0.000 1.136 275 Y HN 0.602 nan 8.280 nan 0.000 0.449 276 E N 3.829 124.185 120.200 0.260 0.000 2.001 276 E HA 0.181 4.532 4.350 0.001 0.000 0.279 276 E C -0.463 176.202 176.600 0.108 0.000 1.045 276 E CA -0.532 55.941 56.400 0.121 0.000 0.833 276 E CB 0.566 30.278 29.700 0.019 0.000 1.077 276 E HN 0.472 nan 8.360 nan 0.000 0.397 277 K N 3.698 124.143 120.400 0.074 0.000 2.978 277 K HA 0.034 4.355 4.320 0.001 0.000 0.261 277 K C 0.004 176.600 176.600 -0.007 0.000 1.181 277 K CA 0.113 56.428 56.287 0.047 0.000 1.164 277 K CB -0.202 32.314 32.500 0.027 0.000 1.331 277 K HN 0.153 nan 8.250 nan 0.000 0.266 278 R N 1.572 122.048 120.500 -0.041 0.000 2.489 278 R HA 0.127 4.467 4.340 0.001 0.000 0.287 278 R C 0.179 176.454 176.300 -0.043 0.000 1.053 278 R CA 0.019 56.045 56.100 -0.123 0.000 1.036 278 R CB 0.481 30.571 30.300 -0.351 0.000 0.966 278 R HN 0.219 nan 8.270 nan 0.000 0.432 279 I N 2.360 122.899 120.570 -0.052 0.000 2.377 279 I HA 0.094 4.264 4.170 0.001 0.000 0.293 279 I C 1.349 177.452 176.117 -0.023 0.000 0.987 279 I CA -0.115 61.172 61.300 -0.021 0.000 1.185 279 I CB 1.610 39.596 38.000 -0.024 0.000 1.341 279 I HN 0.743 nan 8.210 nan 0.000 0.455 280 E N 5.246 125.446 120.200 0.000 0.000 2.102 280 E HA 0.094 4.445 4.350 0.001 0.000 0.190 280 E C 0.128 176.723 176.600 -0.009 0.000 0.971 280 E CA 0.646 57.046 56.400 -0.000 0.000 0.821 280 E CB 0.582 30.291 29.700 0.014 0.000 0.777 280 E HN 0.459 nan 8.360 nan 0.000 0.460 281 R N 1.069 121.564 120.500 -0.008 0.000 2.576 281 R HA 0.300 4.641 4.340 0.001 0.000 0.283 281 R C -1.083 175.190 176.300 -0.045 0.000 1.493 281 R CA -0.326 55.759 56.100 -0.025 0.000 1.170 281 R CB 1.164 31.454 30.300 -0.017 0.000 1.189 281 R HN 0.106 nan 8.270 nan 0.000 0.542 282 L N 2.351 123.542 121.223 -0.054 0.000 2.500 282 L HA 0.104 4.445 4.340 0.001 0.000 0.272 282 L C -0.310 176.486 176.870 -0.123 0.000 1.149 282 L CA 0.683 55.483 54.840 -0.067 0.000 0.897 282 L CB 0.762 42.788 42.059 -0.054 0.000 1.178 282 L HN 0.532 nan 8.230 nan 0.000 0.473 283 S N 3.546 119.143 115.700 -0.172 0.000 2.667 283 S HA 0.485 4.956 4.470 0.001 0.000 0.304 283 S C -0.415 174.020 174.600 -0.275 0.000 1.135 283 S CA -0.570 57.401 58.200 -0.381 0.000 1.125 283 S CB 1.475 64.236 63.200 -0.731 0.000 0.996 283 S HN 0.274 nan 8.310 nan 0.000 0.474 284 V N 4.212 124.019 119.914 -0.178 0.000 2.715 284 V HA 0.619 4.740 4.120 0.001 0.000 0.310 284 V C 0.360 176.451 176.094 -0.005 0.000 1.054 284 V CA -1.114 61.159 62.300 -0.045 0.000 0.928 284 V CB 1.927 33.732 31.823 -0.030 0.000 1.007 284 V HN 0.884 nan 8.190 nan 0.000 0.437 301 V N 0.848 120.683 119.914 -0.132 0.000 2.323 301 V HA -0.118 4.003 4.120 0.001 0.000 0.244 301 V C 2.193 178.197 176.094 -0.150 0.000 1.041 301 V CA 1.637 63.828 62.300 -0.182 0.000 1.025 301 V CB -0.309 31.432 31.823 -0.136 0.000 0.656 301 V HN 0.556 nan 8.190 nan 0.000 0.451 302 R N 0.311 120.758 120.500 -0.088 0.000 2.081 302 R HA -0.175 4.166 4.340 0.001 0.000 0.235 302 R C 2.292 178.556 176.300 -0.060 0.000 1.131 302 R CA 1.857 57.924 56.100 -0.054 0.000 0.960 302 R CB -0.527 29.763 30.300 -0.017 0.000 0.856 302 R HN 0.684 nan 8.270 nan 0.000 0.436 303 E N -0.116 120.043 120.200 -0.069 0.000 2.110 303 E HA -0.224 4.127 4.350 0.001 0.000 0.193 303 E C 1.824 178.351 176.600 -0.121 0.000 0.988 303 E CA 1.177 57.530 56.400 -0.079 0.000 0.804 303 E CB 0.077 29.741 29.700 -0.059 0.000 0.745 303 E HN 0.266 nan 8.360 nan 0.000 0.458 304 R N 0.260 120.660 120.500 -0.167 0.000 2.082 304 R HA -0.144 4.197 4.340 0.001 0.000 0.234 304 R C 2.580 178.815 176.300 -0.110 0.000 1.136 304 R CA 1.914 57.899 56.100 -0.192 0.000 0.935 304 R CB -0.539 29.447 30.300 -0.523 0.000 0.842 304 R HN 0.289 nan 8.270 nan 0.000 0.430 305 I N 0.841 121.340 120.570 -0.117 0.000 2.151 305 I HA -0.333 3.837 4.170 0.001 0.000 0.243 305 I C 2.422 178.512 176.117 -0.045 0.000 1.080 305 I CA 1.569 62.831 61.300 -0.064 0.000 1.339 305 I CB -0.588 37.380 38.000 -0.054 0.000 1.039 305 I HN 0.149 nan 8.210 nan 0.000 0.409 306 I N 0.965 121.506 120.570 -0.049 0.000 2.127 306 I HA -0.315 3.856 4.170 0.001 0.000 0.241 306 I C 2.539 178.594 176.117 -0.104 0.000 1.075 306 I CA 1.754 63.035 61.300 -0.031 0.000 1.334 306 I CB -0.473 37.522 38.000 -0.008 0.000 1.040 306 I HN 0.185 nan 8.210 nan 0.000 0.405 307 K N 0.009 120.288 120.400 -0.202 0.000 2.281 307 K HA -0.217 4.104 4.320 0.001 0.000 0.203 307 K C 2.180 178.733 176.600 -0.078 0.000 1.046 307 K CA 1.020 57.172 56.287 -0.225 0.000 0.938 307 K CB -0.114 32.264 32.500 -0.203 0.000 0.737 307 K HN 0.107 nan 8.250 nan 0.000 0.458 308 R N 0.968 121.447 120.500 -0.035 0.000 2.090 308 R HA 0.108 4.448 4.340 0.001 0.000 0.219 308 R C 1.911 178.190 176.300 -0.034 0.000 1.100 308 R CA 1.304 57.399 56.100 -0.009 0.000 0.991 308 R CB -0.557 29.755 30.300 0.019 0.000 0.893 308 R HN 0.090 nan 8.270 nan 0.000 0.443 309 A N 0.667 123.460 122.820 -0.045 0.000 1.972 309 A HA -0.024 4.296 4.320 0.001 0.000 0.219 309 A C 2.280 179.775 177.584 -0.149 0.000 1.169 309 A CA 1.660 53.639 52.037 -0.096 0.000 0.635 309 A CB -0.972 17.989 19.000 -0.066 0.000 0.810 309 A HN 0.455 nan 8.150 nan 0.000 0.446 310 A N -0.445 122.377 122.820 0.003 0.000 2.070 310 A HA 0.017 4.338 4.320 0.001 0.000 0.220 310 A C 1.922 179.581 177.584 0.125 0.000 1.159 310 A CA 1.266 53.411 52.037 0.180 0.000 0.656 310 A CB -0.508 18.638 19.000 0.244 0.000 0.800 310 A HN 0.493 nan 8.150 nan 0.000 0.453 311 L N -0.599 120.629 121.223 0.010 0.000 2.554 311 L HA -0.016 4.324 4.340 0.001 0.000 0.226 311 L C 1.879 178.725 176.870 -0.040 0.000 1.137 311 L CA 0.260 55.106 54.840 0.010 0.000 0.863 311 L CB -0.214 41.843 42.059 -0.003 0.000 0.985 311 L HN 0.296 nan 8.230 nan 0.000 0.451 312 E N 0.098 120.198 120.200 -0.167 0.000 2.285 312 E HA 0.006 4.356 4.350 0.001 0.000 0.194 312 E C 0.354 176.838 176.600 -0.193 0.000 0.997 312 E CA 0.319 56.588 56.400 -0.218 0.000 0.845 312 E CB 0.068 29.568 29.700 -0.332 0.000 0.782 312 E HN 0.199 nan 8.360 nan 0.000 0.491 313 F N 1.720 121.675 119.950 0.009 0.000 2.459 313 F HA 0.130 4.657 4.527 0.001 0.000 0.346 313 F C 1.037 176.830 175.800 -0.012 0.000 1.128 313 F CA 0.237 58.235 58.000 -0.003 0.000 1.268 313 F CB 0.519 39.514 39.000 -0.008 0.000 1.161 313 F HN -0.245 nan 8.300 nan 0.000 0.583 314 E N -0.017 120.300 120.200 0.196 0.000 2.383 314 E HA 0.172 4.523 4.350 0.001 0.000 0.275 314 E C -1.717 174.904 176.600 0.034 0.000 0.918 314 E CA -1.147 55.305 56.400 0.087 0.000 0.764 314 E CB 2.089 31.825 29.700 0.059 0.000 1.252 314 E HN 0.458 nan 8.360 nan 0.000 0.449 315 D N -0.170 120.232 120.400 0.003 0.000 2.458 315 D HA 0.234 4.874 4.640 0.001 0.000 0.243 315 D C 0.963 177.237 176.300 -0.043 0.000 1.146 315 D CA 1.956 55.933 54.000 -0.038 0.000 0.877 315 D CB 0.430 41.214 40.800 -0.027 0.000 1.176 315 D HN 0.633 nan 8.370 nan 0.000 0.461 316 G N 3.285 112.029 108.800 -0.094 0.000 2.162 316 G HA2 -0.324 3.636 3.960 0.001 0.000 0.260 316 G HA3 -0.324 3.636 3.960 0.001 0.000 0.260 316 G C 0.466 175.282 174.900 -0.140 0.000 0.976 316 G CA 0.409 45.460 45.100 -0.083 0.000 0.655 316 G HN 0.618 nan 8.290 nan 0.000 0.533 317 M N 0.325 119.856 119.600 -0.115 0.000 2.233 317 M HA 0.626 5.107 4.480 0.001 0.000 0.350 317 M C -0.455 175.756 176.300 -0.148 0.000 1.176 317 M CA -0.458 54.813 55.300 -0.049 0.000 1.150 317 M CB 0.444 33.080 32.600 0.060 0.000 1.530 317 M HN 0.093 nan 8.290 nan 0.000 0.459 318 Y N 3.189 123.568 120.300 0.132 0.000 2.331 318 Y HA 0.673 5.223 4.550 0.001 0.000 0.338 318 Y C -0.004 175.964 175.900 0.113 0.000 0.976 318 Y CA -0.433 57.744 58.100 0.128 0.000 1.137 318 Y CB 1.574 40.085 38.460 0.085 0.000 1.172 318 Y HN 0.773 nan 8.280 nan 0.000 0.478 319 A N 3.230 126.194 122.820 0.240 0.000 2.498 319 A HA 0.593 4.913 4.320 0.001 0.000 0.298 319 A C -1.437 176.245 177.584 0.162 0.000 1.075 319 A CA -0.890 51.269 52.037 0.203 0.000 0.714 319 A CB 1.696 20.857 19.000 0.268 0.000 1.299 319 A HN 0.641 nan 8.150 nan 0.000 0.407 320 N N 1.590 120.370 118.700 0.133 0.000 2.442 320 N HA 0.539 5.280 4.740 0.001 0.000 0.274 320 N C -1.714 173.858 175.510 0.103 0.000 1.002 320 N CA -0.204 52.903 53.050 0.096 0.000 0.910 320 N CB 0.929 39.456 38.487 0.067 0.000 1.244 320 N HN 0.598 nan 8.380 nan 0.000 0.492 321 L N 2.035 123.320 121.223 0.102 0.000 2.333 321 L HA 0.548 4.888 4.340 0.001 0.000 0.280 321 L C 1.233 178.152 176.870 0.082 0.000 1.004 321 L CA -1.189 53.717 54.840 0.110 0.000 0.820 321 L CB 1.798 43.949 42.059 0.154 0.000 1.247 321 L HN 0.434 nan 8.230 nan 0.000 0.416 322 G N 2.906 111.750 108.800 0.073 0.000 2.483 322 G HA2 0.425 4.385 3.960 0.001 0.000 0.248 322 G HA3 0.425 4.385 3.960 0.001 0.000 0.248 322 G C 0.172 175.112 174.900 0.068 0.000 1.248 322 G CA -0.652 44.485 45.100 0.062 0.000 0.838 322 G HN 0.697 nan 8.290 nan 0.000 0.566 323 I N 0.171 120.780 120.570 0.066 0.000 2.813 323 I HA 0.535 4.706 4.170 0.001 0.000 0.287 323 I C 0.912 177.071 176.117 0.070 0.000 1.196 323 I CA 0.418 61.766 61.300 0.079 0.000 1.421 323 I CB 0.288 38.337 38.000 0.081 0.000 1.365 323 I HN 1.077 nan 8.210 nan 0.000 0.591 324 G N 4.422 113.271 108.800 0.082 0.000 2.341 324 G HA2 -0.209 3.752 3.960 0.001 0.000 0.196 324 G HA3 -0.209 3.752 3.960 0.001 0.000 0.196 324 G C 0.180 175.129 174.900 0.083 0.000 1.231 324 G CA -0.093 45.049 45.100 0.071 0.000 1.155 324 G HN 0.978 nan 8.290 nan 0.000 0.529 325 I N 1.733 122.345 120.570 0.071 0.000 2.264 325 I HA -0.017 4.153 4.170 0.001 0.000 0.248 325 I C -0.012 176.166 176.117 0.102 0.000 1.111 325 I CA 2.429 63.778 61.300 0.081 0.000 1.382 325 I CB -0.611 37.420 38.000 0.051 0.000 1.060 325 I HN 0.356 nan 8.210 nan 0.000 0.418 326 P HA -0.180 nan 4.420 nan 0.000 0.214 326 P C 1.876 179.275 177.300 0.166 0.000 1.162 326 P CA 1.224 64.390 63.100 0.109 0.000 0.879 326 P CB -0.111 31.638 31.700 0.081 0.000 0.786 327 L N -0.747 120.552 121.223 0.127 0.000 2.017 327 L HA -0.126 4.215 4.340 0.001 0.000 0.208 327 L C 2.199 179.126 176.870 0.095 0.000 1.073 327 L CA 1.742 56.642 54.840 0.101 0.000 0.745 327 L CB -1.478 40.624 42.059 0.073 0.000 0.894 327 L HN -0.135 nan 8.230 nan 0.000 0.432 328 L N -0.519 120.775 121.223 0.118 0.000 2.129 328 L HA -0.228 4.113 4.340 0.001 0.000 0.212 328 L C 2.591 179.589 176.870 0.214 0.000 1.087 328 L CA 1.146 56.065 54.840 0.132 0.000 0.757 328 L CB -0.952 41.205 42.059 0.164 0.000 0.896 328 L HN 0.403 nan 8.230 nan 0.000 0.434 329 A N 0.026 123.020 122.820 0.289 0.000 2.015 329 A HA -0.184 4.136 4.320 0.001 0.000 0.219 329 A C 2.492 180.342 177.584 0.443 0.000 1.163 329 A CA 1.639 53.946 52.037 0.449 0.000 0.646 329 A CB -0.542 18.683 19.000 0.374 0.000 0.806 329 A HN 0.538 nan 8.150 nan 0.000 0.448 330 S N 0.556 116.377 115.700 0.201 0.000 2.447 330 S HA -0.149 4.321 4.470 0.001 0.000 0.233 330 S C 1.474 175.958 174.600 -0.194 0.000 1.006 330 S CA 1.106 59.208 58.200 -0.163 0.000 0.957 330 S CB -0.632 62.431 63.200 -0.229 0.000 0.773 330 S HN 0.612 nan 8.310 nan 0.000 0.507 331 N N 1.031 119.617 118.700 -0.189 0.000 2.381 331 N HA 0.030 4.771 4.740 0.001 0.000 0.182 331 N C -0.068 175.146 175.510 -0.493 0.000 1.025 331 N CA 0.853 53.665 53.050 -0.397 0.000 0.888 331 N CB -0.342 37.812 38.487 -0.554 0.000 0.965 331 N HN 0.529 nan 8.380 nan 0.000 0.438 332 F N 0.832 120.777 119.950 -0.009 0.000 2.819 332 F HA 0.384 4.912 4.527 0.001 0.000 0.294 332 F C 0.532 176.334 175.800 0.003 0.000 1.166 332 F CA -0.334 57.675 58.000 0.014 0.000 1.374 332 F CB -0.098 38.936 39.000 0.057 0.000 0.956 332 F HN -0.205 nan 8.300 nan 0.000 0.509 333 I N 0.259 120.834 120.570 0.008 0.000 2.325 333 I HA 0.125 4.295 4.170 0.001 0.000 0.291 333 I C 0.479 176.566 176.117 -0.049 0.000 1.019 333 I CA -0.499 60.767 61.300 -0.057 0.000 1.302 333 I CB 0.879 38.712 38.000 -0.278 0.000 1.401 333 I HN -0.026 nan 8.210 nan 0.000 0.485 334 S N 8.315 124.010 115.700 -0.007 0.000 2.626 334 S HA -0.011 4.459 4.470 0.001 0.000 0.303 334 S C -1.538 173.032 174.600 -0.052 0.000 1.256 334 S CA -0.689 57.502 58.200 -0.014 0.000 1.069 334 S CB 0.293 63.494 63.200 0.002 0.000 0.807 334 S HN 0.495 nan 8.310 nan 0.000 0.500 335 P HA -0.051 nan 4.420 nan 0.000 0.223 335 P C 0.412 177.675 177.300 -0.060 0.000 1.144 335 P CA 0.869 63.931 63.100 -0.064 0.000 0.783 335 P CB 0.073 31.744 31.700 -0.049 0.000 0.771 336 N N -1.884 116.788 118.700 -0.046 0.000 2.424 336 N HA 0.052 4.793 4.740 0.001 0.000 0.178 336 N C 0.709 176.188 175.510 -0.052 0.000 1.060 336 N CA 0.274 53.299 53.050 -0.041 0.000 0.901 336 N CB -0.213 38.260 38.487 -0.025 0.000 0.979 336 N HN 0.185 nan 8.380 nan 0.000 0.451 337 M N 0.771 120.333 119.600 -0.063 0.000 2.233 337 M HA 0.213 4.694 4.480 0.001 0.000 0.355 337 M C -0.967 175.251 176.300 -0.137 0.000 1.191 337 M CA -0.048 55.205 55.300 -0.077 0.000 1.101 337 M CB 0.895 33.462 32.600 -0.053 0.000 1.592 337 M HN -0.105 nan 8.290 nan 0.000 0.461 338 T N 4.498 118.953 114.554 -0.165 0.000 2.770 338 T HA 0.569 4.920 4.350 0.001 0.000 0.283 338 T C -0.907 173.564 174.700 -0.381 0.000 0.988 338 T CA -0.545 61.387 62.100 -0.280 0.000 0.957 338 T CB 0.942 69.655 68.868 -0.258 0.000 0.930 338 T HN 0.491 nan 8.240 nan 0.000 0.443 339 V N 4.129 123.760 119.914 -0.472 0.000 2.588 339 V HA 0.371 4.492 4.120 0.001 0.000 0.304 339 V C -0.810 174.956 176.094 -0.546 0.000 1.042 339 V CA -1.037 60.997 62.300 -0.443 0.000 0.877 339 V CB 1.588 33.185 31.823 -0.376 0.000 0.996 339 V HN 0.904 nan 8.190 nan 0.000 0.425 340 H N 4.443 123.361 119.070 -0.254 0.000 2.556 340 H HA 0.576 5.132 4.556 0.001 0.000 0.310 340 H C -0.475 174.838 175.328 -0.026 0.000 1.057 340 H CA -0.385 55.567 56.048 -0.160 0.000 1.264 340 H CB 1.010 30.634 29.762 -0.230 0.000 1.404 340 H HN 0.474 nan 8.280 nan 0.000 0.462 341 L N 3.163 124.422 121.223 0.059 0.000 2.276 341 L HA 0.264 4.604 4.340 0.001 0.000 0.286 341 L C 0.203 177.126 176.870 0.087 0.000 1.061 341 L CA -0.496 54.377 54.840 0.056 0.000 0.807 341 L CB 0.979 43.024 42.059 -0.023 0.000 1.177 341 L HN 0.530 nan 8.230 nan 0.000 0.429 342 Q N 2.214 122.077 119.800 0.105 0.000 2.245 342 Q HA 0.374 4.714 4.340 0.001 0.000 0.256 342 Q C -1.241 174.773 176.000 0.023 0.000 0.942 342 Q CA -0.178 55.680 55.803 0.092 0.000 0.896 342 Q CB 2.254 31.060 28.738 0.113 0.000 1.272 342 Q HN 0.588 nan 8.270 nan 0.000 0.442 343 S N 2.045 117.727 115.700 -0.029 0.000 2.519 343 S HA 0.142 4.612 4.470 0.001 0.000 0.309 343 S C 0.783 175.273 174.600 -0.184 0.000 1.100 343 S CA -0.583 57.561 58.200 -0.093 0.000 1.059 343 S CB 0.760 63.892 63.200 -0.114 0.000 1.008 343 S HN 0.653 nan 8.310 nan 0.000 0.478 344 E N 3.731 123.799 120.200 -0.220 0.000 2.396 344 E HA -0.185 4.165 4.350 0.001 0.000 0.200 344 E C 0.650 176.962 176.600 -0.480 0.000 1.023 344 E CA 0.924 57.067 56.400 -0.428 0.000 0.857 344 E CB -0.477 28.998 29.700 -0.374 0.000 0.775 344 E HN 0.736 nan 8.360 nan 0.000 0.525 345 N N 0.810 119.193 118.700 -0.528 0.000 2.383 345 N HA 0.046 4.787 4.740 0.001 0.000 0.192 345 N C 0.839 176.040 175.510 -0.515 0.000 1.141 345 N CA 0.715 53.313 53.050 -0.752 0.000 0.851 345 N CB 0.527 38.152 38.487 -1.436 0.000 0.976 345 N HN 0.282 nan 8.380 nan 0.000 0.465 346 G N 0.379 108.891 108.800 -0.479 0.000 2.237 346 G HA2 -0.099 3.862 3.960 0.001 0.000 0.153 346 G HA3 -0.099 3.862 3.960 0.001 0.000 0.153 346 G C -0.647 173.532 174.900 -1.202 0.000 1.039 346 G CA -0.394 44.249 45.100 -0.761 0.000 0.719 346 G HN 0.319 nan 8.290 nan 0.000 0.491 347 I N -0.182 119.888 120.570 -0.832 0.000 2.582 347 I HA 0.659 4.830 4.170 0.001 0.000 0.292 347 I C -0.682 175.301 176.117 -0.224 0.000 1.066 347 I CA -1.309 59.644 61.300 -0.578 0.000 1.053 347 I CB 2.119 39.973 38.000 -0.244 0.000 1.241 347 I HN 0.058 nan 8.210 nan 0.000 0.421 348 L N 5.458 126.617 121.223 -0.107 0.000 2.372 348 L HA 0.817 5.158 4.340 0.001 0.000 0.274 348 L C 0.228 177.097 176.870 -0.000 0.000 0.988 348 L CA 0.163 55.070 54.840 0.113 0.000 0.833 348 L CB 1.447 43.669 42.059 0.273 0.000 1.236 348 L HN 0.817 nan 8.230 nan 0.000 0.410 349 G N 4.668 113.489 108.800 0.036 0.000 2.427 349 G HA2 -0.141 3.820 3.960 0.001 0.000 0.193 349 G HA3 -0.141 3.820 3.960 0.001 0.000 0.193 349 G C -0.276 174.592 174.900 -0.052 0.000 1.086 349 G CA -0.231 44.879 45.100 0.017 0.000 0.818 349 G HN 0.615 nan 8.290 nan 0.000 0.490 350 L N 0.401 121.593 121.223 -0.053 0.000 2.485 350 L HA 0.484 4.825 4.340 0.001 0.000 0.275 350 L C 1.488 178.301 176.870 -0.096 0.000 1.207 350 L CA 0.770 55.566 54.840 -0.074 0.000 0.855 350 L CB 0.650 42.668 42.059 -0.068 0.000 1.114 350 L HN 0.387 nan 8.230 nan 0.000 0.485 351 G N 3.034 111.776 108.800 -0.097 0.000 2.938 351 G HA2 0.639 4.600 3.960 0.001 0.000 0.258 351 G HA3 0.639 4.600 3.960 0.001 0.000 0.258 351 G C -2.754 172.049 174.900 -0.162 0.000 1.356 351 G CA -1.031 44.001 45.100 -0.114 0.000 1.052 351 G HN 0.362 nan 8.290 nan 0.000 0.550 352 P HA 0.247 nan 4.420 nan 0.000 0.274 352 P C -0.874 176.332 177.300 -0.156 0.000 1.256 352 P CA -0.449 62.518 63.100 -0.222 0.000 0.795 352 P CB 0.278 31.896 31.700 -0.136 0.000 1.038 353 Y N 0.684 120.966 120.300 -0.030 0.000 2.578 353 Y HA 0.108 4.659 4.550 0.001 0.000 0.339 353 Y C -1.421 174.467 175.900 -0.019 0.000 1.231 353 Y CA -1.625 56.463 58.100 -0.020 0.000 1.461 353 Y CB -1.101 37.348 38.460 -0.018 0.000 1.323 353 Y HN 0.317 nan 8.280 nan 0.000 0.590 354 P HA 0.175 nan 4.420 nan 0.000 0.276 354 P C -0.673 176.664 177.300 0.061 0.000 1.252 354 P CA -0.257 62.891 63.100 0.080 0.000 0.802 354 P CB 1.193 32.929 31.700 0.060 0.000 1.035 355 L N 0.713 121.957 121.223 0.035 0.000 2.456 355 L HA 0.171 4.511 4.340 0.001 0.000 0.257 355 L C 2.341 179.220 176.870 0.016 0.000 1.162 355 L CA -0.407 54.447 54.840 0.023 0.000 0.808 355 L CB -0.064 42.003 42.059 0.015 0.000 1.136 355 L HN 0.340 nan 8.230 nan 0.000 0.466 356 Q N 1.415 121.220 119.800 0.008 0.000 2.173 356 Q HA -0.238 4.103 4.340 0.001 0.000 0.208 356 Q C 1.616 177.618 176.000 0.004 0.000 0.989 356 Q CA 2.295 58.100 55.803 0.003 0.000 0.872 356 Q CB -0.128 28.610 28.738 -0.000 0.000 0.909 356 Q HN 0.716 nan 8.270 nan 0.000 0.420 357 N N -1.012 117.692 118.700 0.006 0.000 2.467 357 N HA -0.084 4.657 4.740 0.001 0.000 0.184 357 N C 0.734 176.248 175.510 0.008 0.000 1.106 357 N CA 0.663 53.717 53.050 0.007 0.000 0.892 357 N CB 0.054 38.545 38.487 0.007 0.000 0.969 357 N HN 0.410 nan 8.380 nan 0.000 0.454 358 E N 0.618 120.825 120.200 0.011 0.000 2.340 358 E HA 0.101 4.451 4.350 0.001 0.000 0.194 358 E C 0.003 176.610 176.600 0.012 0.000 0.996 358 E CA -0.171 56.237 56.400 0.013 0.000 0.869 358 E CB 0.540 30.251 29.700 0.018 0.000 0.835 358 E HN 0.020 nan 8.360 nan 0.000 0.493 359 V N 3.062 122.983 119.914 0.011 0.000 2.678 359 V HA -0.123 3.998 4.120 0.001 0.000 0.304 359 V C 0.053 176.146 176.094 -0.003 0.000 1.086 359 V CA 0.939 63.244 62.300 0.008 0.000 1.246 359 V CB 0.020 31.844 31.823 0.001 0.000 0.861 359 V HN 0.161 nan 8.190 nan 0.000 0.491 360 D N 3.455 123.852 120.400 -0.006 0.000 2.788 360 D HA 0.530 5.171 4.640 0.001 0.000 0.247 360 D C 0.506 176.790 176.300 -0.027 0.000 1.236 360 D CA -0.019 53.964 54.000 -0.028 0.000 0.898 360 D CB 2.227 43.000 40.800 -0.046 0.000 1.401 360 D HN 0.470 nan 8.370 nan 0.000 0.549 361 A N 3.210 126.012 122.820 -0.030 0.000 2.067 361 A HA -0.122 4.199 4.320 0.001 0.000 0.219 361 A C 1.286 178.854 177.584 -0.027 0.000 1.158 361 A CA 1.099 53.127 52.037 -0.015 0.000 0.661 361 A CB 0.041 19.037 19.000 -0.006 0.000 0.801 361 A HN 0.507 nan 8.150 nan 0.000 0.452 362 D N -1.305 119.046 120.400 -0.082 0.000 2.349 362 D HA 0.119 4.760 4.640 0.001 0.000 0.224 362 D C -0.241 175.978 176.300 -0.134 0.000 1.029 362 D CA 0.427 54.349 54.000 -0.130 0.000 0.879 362 D CB 0.313 40.967 40.800 -0.243 0.000 0.906 362 D HN 0.308 nan 8.370 nan 0.000 0.528 363 L N 1.745 122.925 121.223 -0.071 0.000 2.388 363 L HA 0.390 4.730 4.340 0.001 0.000 0.267 363 L C -0.706 176.182 176.870 0.030 0.000 0.995 363 L CA -0.719 54.103 54.840 -0.029 0.000 0.864 363 L CB 0.569 42.625 42.059 -0.005 0.000 1.216 363 L HN -0.090 nan 8.230 nan 0.000 0.430 364 I N 1.190 121.791 120.570 0.050 0.000 3.074 364 I HA 0.721 4.891 4.170 0.001 0.000 0.310 364 I C -0.740 175.434 176.117 0.095 0.000 1.153 364 I CA -0.945 60.413 61.300 0.097 0.000 0.993 364 I CB 2.184 40.269 38.000 0.140 0.000 1.237 364 I HN 0.538 nan 8.210 nan 0.000 0.443 365 N N 2.469 121.243 118.700 0.124 0.000 2.476 365 N HA 0.457 5.197 4.740 0.001 0.000 0.287 365 N C 0.776 176.398 175.510 0.187 0.000 1.262 365 N CA -0.145 52.962 53.050 0.096 0.000 0.980 365 N CB 0.540 39.083 38.487 0.094 0.000 1.163 365 N HN 0.811 nan 8.380 nan 0.000 0.592 366 A N -1.158 121.750 122.820 0.147 0.000 2.070 366 A HA 0.072 4.392 4.320 0.001 0.000 0.220 366 A C 1.802 179.571 177.584 0.307 0.000 1.159 366 A CA 1.481 53.699 52.037 0.302 0.000 0.656 366 A CB -1.503 17.598 19.000 0.168 0.000 0.800 366 A HN 0.801 nan 8.150 nan 0.000 0.453 367 G N -2.296 106.610 108.800 0.177 0.000 2.920 367 G HA2 0.224 4.185 3.960 0.001 0.000 0.208 367 G HA3 0.224 4.185 3.960 0.001 0.000 0.208 367 G C 0.757 175.718 174.900 0.101 0.000 1.159 367 G CA 0.640 45.802 45.100 0.104 0.000 0.784 367 G HN 0.342 nan 8.290 nan 0.000 0.535 368 K N -0.898 119.604 120.400 0.170 0.000 3.512 368 K HA -0.144 4.176 4.320 0.001 0.000 0.309 368 K C 0.207 176.868 176.600 0.101 0.000 1.350 368 K CA 0.915 57.280 56.287 0.129 0.000 0.960 368 K CB -1.533 30.990 32.500 0.038 0.000 1.290 368 K HN 0.648 nan 8.250 nan 0.000 0.454 369 E N 0.731 121.000 120.200 0.115 0.000 2.301 369 E HA 0.245 4.596 4.350 0.001 0.000 0.275 369 E C 0.108 176.779 176.600 0.119 0.000 1.030 369 E CA -0.102 56.352 56.400 0.089 0.000 0.852 369 E CB 0.746 30.517 29.700 0.119 0.000 1.060 369 E HN 0.285 nan 8.360 nan 0.000 0.401 370 T N -0.532 114.066 114.554 0.074 0.000 2.928 370 T HA 0.321 4.672 4.350 0.001 0.000 0.305 370 T C 0.396 175.204 174.700 0.180 0.000 1.035 370 T CA -0.787 61.366 62.100 0.088 0.000 1.145 370 T CB 0.358 69.251 68.868 0.041 0.000 0.963 370 T HN 0.340 nan 8.240 nan 0.000 0.545 371 V N -0.574 119.427 119.914 0.146 0.000 3.103 371 V HA 0.962 5.083 4.120 0.001 0.000 0.311 371 V C -0.009 176.130 176.094 0.075 0.000 1.322 371 V CA -0.683 61.705 62.300 0.148 0.000 1.063 371 V CB 1.460 33.336 31.823 0.087 0.000 1.090 371 V HN 1.269 nan 8.190 nan 0.000 0.462 372 T N -2.011 112.561 114.554 0.031 0.000 2.910 372 T HA 0.842 5.193 4.350 0.001 0.000 0.287 372 T C -0.947 173.749 174.700 -0.008 0.000 1.050 372 T CA -0.731 61.379 62.100 0.017 0.000 1.011 372 T CB 1.815 70.684 68.868 0.002 0.000 1.195 372 T HN 1.215 nan 8.240 nan 0.000 0.540 373 V N 0.910 120.819 119.914 -0.009 0.000 2.823 373 V HA 0.579 4.700 4.120 0.001 0.000 0.312 373 V C -0.540 175.524 176.094 -0.049 0.000 1.072 373 V CA -1.177 61.096 62.300 -0.046 0.000 0.937 373 V CB 1.800 33.582 31.823 -0.068 0.000 1.013 373 V HN 0.892 nan 8.190 nan 0.000 0.430 374 L N 4.967 126.153 121.223 -0.061 0.000 2.469 374 L HA 0.499 4.839 4.340 0.001 0.000 0.253 374 L C -2.146 174.701 176.870 -0.039 0.000 1.143 374 L CA -1.816 52.995 54.840 -0.048 0.000 0.804 374 L CB 0.679 42.706 42.059 -0.052 0.000 1.214 374 L HN 0.457 nan 8.230 nan 0.000 0.476 375 P HA 0.115 nan 4.420 nan 0.000 0.268 375 P C 0.420 177.715 177.300 -0.009 0.000 1.205 375 P CA 0.401 63.492 63.100 -0.015 0.000 0.771 375 P CB 0.663 32.358 31.700 -0.009 0.000 0.858 376 G N 0.884 109.676 108.800 -0.014 0.000 2.143 376 G HA2 -0.114 3.847 3.960 0.001 0.000 0.248 376 G HA3 -0.114 3.847 3.960 0.001 0.000 0.248 376 G C 0.439 175.319 174.900 -0.034 0.000 0.991 376 G CA -0.007 45.085 45.100 -0.013 0.000 0.689 376 G HN 0.834 nan 8.290 nan 0.000 0.522 377 A N -0.421 122.355 122.820 -0.074 0.000 2.296 377 A HA 0.910 5.231 4.320 0.001 0.000 0.264 377 A C 0.760 178.216 177.584 -0.213 0.000 1.097 377 A CA 0.847 52.797 52.037 -0.145 0.000 0.811 377 A CB 0.828 19.696 19.000 -0.221 0.000 1.072 377 A HN 2.047 nan 8.150 nan 0.000 0.495 378 S N -1.184 114.345 115.700 -0.284 0.000 2.579 378 S HA 0.728 5.199 4.470 0.001 0.000 0.272 378 S C -1.456 172.850 174.600 -0.491 0.000 1.141 378 S CA -0.637 57.407 58.200 -0.258 0.000 0.843 378 S CB 0.840 64.052 63.200 0.019 0.000 1.122 378 S HN 0.527 nan 8.310 nan 0.000 0.468 379 Y N 0.977 121.201 120.300 -0.127 0.000 2.468 379 Y HA 0.819 5.370 4.550 0.001 0.000 0.342 379 Y C -0.270 175.462 175.900 -0.280 0.000 1.021 379 Y CA -1.135 56.724 58.100 -0.401 0.000 1.079 379 Y CB 1.569 39.867 38.460 -0.269 0.000 1.226 379 Y HN 0.869 nan 8.280 nan 0.000 0.460 380 F N -1.904 118.027 119.950 -0.031 0.000 2.713 380 F HA 0.688 5.216 4.527 0.001 0.000 0.311 380 F C -0.381 175.302 175.800 -0.195 0.000 1.141 380 F CA -1.700 56.215 58.000 -0.141 0.000 0.939 380 F CB 0.465 39.369 39.000 -0.160 0.000 1.325 380 F HN 0.355 nan 8.300 nan 0.000 0.453 381 S N -0.065 115.623 115.700 -0.020 0.000 2.608 381 S HA 0.245 4.715 4.470 0.001 0.000 0.261 381 S C 0.747 175.259 174.600 -0.147 0.000 1.314 381 S CA 0.066 58.163 58.200 -0.172 0.000 0.992 381 S CB 1.141 64.206 63.200 -0.225 0.000 0.935 381 S HN 0.705 nan 8.310 nan 0.000 0.564 382 S N 1.418 116.932 115.700 -0.310 0.000 2.382 382 S HA -0.130 4.340 4.470 0.001 0.000 0.228 382 S C 1.741 176.253 174.600 -0.145 0.000 1.027 382 S CA 1.387 59.374 58.200 -0.354 0.000 0.991 382 S CB -0.672 61.911 63.200 -1.027 0.000 0.823 382 S HN 0.922 nan 8.310 nan 0.000 0.469 383 D N 1.209 121.488 120.400 -0.202 0.000 2.149 383 D HA -0.134 4.506 4.640 0.001 0.000 0.201 383 D C 1.814 178.080 176.300 -0.057 0.000 0.972 383 D CA 1.041 54.983 54.000 -0.097 0.000 0.835 383 D CB -0.500 40.217 40.800 -0.139 0.000 0.966 383 D HN 0.344 nan 8.370 nan 0.000 0.476 384 E N 1.216 121.366 120.200 -0.083 0.000 2.072 384 E HA -0.150 4.200 4.350 0.001 0.000 0.191 384 E C 2.092 178.603 176.600 -0.148 0.000 0.985 384 E CA 1.425 57.752 56.400 -0.121 0.000 0.801 384 E CB -0.484 29.147 29.700 -0.116 0.000 0.750 384 E HN 0.131 nan 8.360 nan 0.000 0.452 385 S N -1.244 114.442 115.700 -0.022 0.000 2.374 385 S HA -0.148 4.322 4.470 0.001 0.000 0.227 385 S C 1.598 176.035 174.600 -0.271 0.000 1.037 385 S CA 1.377 59.531 58.200 -0.076 0.000 1.024 385 S CB -0.457 62.676 63.200 -0.112 0.000 0.861 385 S HN 0.379 nan 8.310 nan 0.000 0.456 386 F N 1.263 121.183 119.950 -0.051 0.000 2.615 386 F HA 0.357 4.884 4.527 0.001 0.000 0.297 386 F C 2.330 178.105 175.800 -0.043 0.000 1.124 386 F CA 0.389 58.370 58.000 -0.032 0.000 1.451 386 F CB -0.564 38.422 39.000 -0.023 0.000 1.103 386 F HN 0.259 nan 8.300 nan 0.000 0.569 387 A N -0.245 122.604 122.820 0.048 0.000 1.930 387 A HA -0.181 4.139 4.320 0.001 0.000 0.217 387 A C 2.254 179.844 177.584 0.009 0.000 1.175 387 A CA 1.385 53.419 52.037 -0.004 0.000 0.627 387 A CB -0.650 18.298 19.000 -0.086 0.000 0.815 387 A HN 0.375 nan 8.150 nan 0.000 0.443 388 M N -0.536 119.011 119.600 -0.089 0.000 2.086 388 M HA -0.110 4.370 4.480 0.001 0.000 0.261 388 M C 1.943 178.286 176.300 0.071 0.000 1.067 388 M CA 1.845 57.089 55.300 -0.094 0.000 1.116 388 M CB -0.271 32.141 32.600 -0.314 0.000 1.348 388 M HN 0.440 nan 8.290 nan 0.000 0.407 389 I N -0.880 119.699 120.570 0.014 0.000 2.233 389 I HA -0.278 3.892 4.170 0.001 0.000 0.243 389 I C 2.632 178.811 176.117 0.104 0.000 1.093 389 I CA 1.144 62.477 61.300 0.055 0.000 1.380 389 I CB -0.520 37.508 38.000 0.047 0.000 1.067 389 I HN 0.315 nan 8.210 nan 0.000 0.413 390 R N 1.038 121.623 120.500 0.143 0.000 2.096 390 R HA -0.126 4.214 4.340 0.001 0.000 0.235 390 R C 2.120 178.469 176.300 0.082 0.000 1.127 390 R CA 1.518 57.697 56.100 0.133 0.000 0.968 390 R CB -0.453 29.934 30.300 0.146 0.000 0.861 390 R HN 0.420 nan 8.270 nan 0.000 0.440 391 G N -0.925 107.922 108.800 0.079 0.000 2.776 391 G HA2 0.019 3.979 3.960 0.001 0.000 0.209 391 G HA3 0.019 3.979 3.960 0.001 0.000 0.209 391 G C 0.769 175.520 174.900 -0.248 0.000 1.145 391 G CA 0.470 45.566 45.100 -0.006 0.000 0.791 391 G HN 0.562 nan 8.290 nan 0.000 0.530 392 G N -0.448 108.277 108.800 -0.125 0.000 2.198 392 G HA2 -0.295 3.665 3.960 0.001 0.000 0.260 392 G HA3 -0.295 3.665 3.960 0.001 0.000 0.260 392 G C 0.566 175.310 174.900 -0.260 0.000 1.025 392 G CA 0.747 45.752 45.100 -0.157 0.000 0.769 392 G HN 0.659 nan 8.290 nan 0.000 0.507 393 H N -1.363 117.667 119.070 -0.068 0.000 2.535 393 H HA 0.313 4.869 4.556 0.001 0.000 0.273 393 H C 1.484 176.752 175.328 -0.099 0.000 0.983 393 H CA 0.854 56.830 56.048 -0.119 0.000 1.238 393 H CB 0.510 30.150 29.762 -0.204 0.000 1.412 393 H HN 0.367 nan 8.280 nan 0.000 0.562 394 V N 1.685 121.624 119.914 0.041 0.000 2.461 394 V HA 0.004 4.125 4.120 0.001 0.000 0.275 394 V C 0.590 176.740 176.094 0.093 0.000 1.047 394 V CA -0.079 62.272 62.300 0.085 0.000 0.955 394 V CB 1.391 33.260 31.823 0.076 0.000 0.988 394 V HN 0.481 nan 8.190 nan 0.000 0.471 395 N N 3.068 121.860 118.700 0.152 0.000 2.106 395 N HA -0.001 4.740 4.740 0.001 0.000 0.188 395 N C 0.155 175.718 175.510 0.088 0.000 1.029 395 N CA 0.705 53.826 53.050 0.118 0.000 0.848 395 N CB 0.121 38.701 38.487 0.154 0.000 1.007 395 N HN 0.516 nan 8.380 nan 0.000 0.423 396 L N 0.195 121.480 121.223 0.104 0.000 2.410 396 L HA 0.447 4.788 4.340 0.001 0.000 0.270 396 L C -1.343 175.573 176.870 0.076 0.000 0.983 396 L CA -0.299 54.584 54.840 0.072 0.000 0.822 396 L CB 2.264 44.355 42.059 0.054 0.000 1.285 396 L HN -0.214 nan 8.230 nan 0.000 0.409 397 T N 6.251 120.837 114.554 0.052 0.000 2.786 397 T HA 0.581 4.931 4.350 0.001 0.000 0.283 397 T C -0.674 174.046 174.700 0.033 0.000 0.992 397 T CA -0.151 61.982 62.100 0.056 0.000 0.954 397 T CB 0.941 69.844 68.868 0.058 0.000 0.934 397 T HN 0.693 nan 8.240 nan 0.000 0.440 398 M N 5.365 124.987 119.600 0.036 0.000 2.197 398 M HA 0.647 5.128 4.480 0.001 0.000 0.301 398 M C -1.939 174.381 176.300 0.033 0.000 0.987 398 M CA -0.892 54.415 55.300 0.013 0.000 0.921 398 M CB 0.695 33.282 32.600 -0.021 0.000 1.569 398 M HN 0.537 nan 8.290 nan 0.000 0.431 399 L N 3.000 124.238 121.223 0.025 0.000 2.359 399 L HA 1.108 5.449 4.340 0.001 0.000 0.256 399 L C -0.223 176.660 176.870 0.022 0.000 1.026 399 L CA -0.589 54.269 54.840 0.031 0.000 0.828 399 L CB 1.210 43.290 42.059 0.035 0.000 1.406 399 L HN 0.604 nan 8.230 nan 0.000 0.413 421 K N 1.031 121.434 120.400 0.005 0.000 2.352 421 K HA 0.711 5.032 4.320 0.001 0.000 0.194 421 K C 0.857 177.361 176.600 -0.160 0.000 1.038 421 K CA 0.520 56.707 56.287 -0.166 0.000 1.023 421 K CB 1.217 33.585 32.500 -0.220 0.000 0.840 421 K HN 1.733 nan 8.250 nan 0.000 0.519 422 G N 1.860 110.678 108.800 0.030 0.000 2.459 422 G HA2 -0.130 3.831 3.960 0.001 0.000 0.685 422 G HA3 -0.130 3.831 3.960 0.001 0.000 0.685 422 G C 0.126 175.137 174.900 0.185 0.000 1.303 422 G CA -0.223 44.928 45.100 0.086 0.000 0.907 422 G HN 0.087 nan 8.290 nan 0.000 0.632 423 M N 0.487 120.166 119.600 0.131 0.000 2.476 423 M HA 0.371 4.852 4.480 0.001 0.000 0.262 423 M C 1.602 177.966 176.300 0.107 0.000 1.111 423 M CA 2.206 57.571 55.300 0.109 0.000 1.127 423 M CB -1.442 31.203 32.600 0.074 0.000 1.376 423 M HN 2.773 nan 8.290 nan 0.000 0.465 424 G N 1.287 110.173 108.800 0.143 0.000 2.561 424 G HA2 -0.307 3.654 3.960 0.001 0.000 0.289 424 G HA3 -0.307 3.654 3.960 0.001 0.000 0.289 424 G C 0.640 175.624 174.900 0.139 0.000 1.169 424 G CA 0.471 45.648 45.100 0.129 0.000 0.980 424 G HN 0.875 nan 8.290 nan 0.000 0.550 425 G N 0.063 108.982 108.800 0.199 0.000 3.277 425 G HA2 0.581 4.542 3.960 0.001 0.000 0.243 425 G HA3 0.581 4.542 3.960 0.001 0.000 0.243 425 G C 1.645 176.680 174.900 0.224 0.000 1.107 425 G CA 1.753 47.024 45.100 0.285 0.000 0.771 425 G HN 1.707 nan 8.290 nan 0.000 0.544 426 A N 1.054 123.956 122.820 0.137 0.000 1.948 426 A HA -0.091 4.229 4.320 0.001 0.000 0.220 426 A C 2.315 179.961 177.584 0.104 0.000 1.177 426 A CA 1.611 53.711 52.037 0.106 0.000 0.636 426 A CB -0.318 18.724 19.000 0.069 0.000 0.815 426 A HN 0.409 nan 8.150 nan 0.000 0.449 427 M N -0.885 118.772 119.600 0.095 0.000 2.200 427 M HA -0.109 4.372 4.480 0.001 0.000 0.265 427 M C 1.417 177.784 176.300 0.111 0.000 1.066 427 M CA 1.348 56.700 55.300 0.087 0.000 1.127 427 M CB -0.495 32.147 32.600 0.070 0.000 1.379 427 M HN 0.396 nan 8.290 nan 0.000 0.420 428 D N 0.717 121.199 120.400 0.137 0.000 2.144 428 D HA -0.093 4.548 4.640 0.001 0.000 0.200 428 D C 1.991 178.414 176.300 0.206 0.000 0.978 428 D CA 1.221 55.336 54.000 0.192 0.000 0.833 428 D CB -0.089 40.883 40.800 0.285 0.000 0.961 428 D HN 0.365 nan 8.370 nan 0.000 0.470 429 L N 0.963 122.305 121.223 0.199 0.000 2.353 429 L HA -0.097 4.243 4.340 0.001 0.000 0.220 429 L C 2.012 178.945 176.870 0.104 0.000 1.133 429 L CA 0.520 55.448 54.840 0.147 0.000 0.798 429 L CB 0.021 42.159 42.059 0.130 0.000 0.922 429 L HN 0.013 nan 8.230 nan 0.000 0.445 430 V N -5.536 114.437 119.914 0.098 0.000 3.276 430 V HA 0.166 4.287 4.120 0.001 0.000 0.319 430 V C 1.781 177.920 176.094 0.076 0.000 1.427 430 V CA 0.448 62.793 62.300 0.075 0.000 1.102 430 V CB 0.264 32.125 31.823 0.063 0.000 1.020 430 V HN 0.313 nan 8.190 nan 0.000 0.456 431 S N -0.385 115.371 115.700 0.093 0.000 2.496 431 S HA 0.121 4.592 4.470 0.001 0.000 0.224 431 S C 1.143 175.786 174.600 0.071 0.000 0.996 431 S CA 0.765 59.020 58.200 0.092 0.000 0.927 431 S CB -0.116 63.158 63.200 0.124 0.000 0.774 431 S HN 0.644 nan 8.310 nan 0.000 0.524 432 S N 0.510 116.249 115.700 0.066 0.000 2.457 432 S HA 0.694 5.165 4.470 0.001 0.000 0.289 432 S C 0.888 175.503 174.600 0.025 0.000 1.163 432 S CA -0.265 57.962 58.200 0.045 0.000 1.078 432 S CB 1.148 64.369 63.200 0.034 0.000 0.987 432 S HN 0.490 nan 8.310 nan 0.000 0.482 433 A N 4.917 127.745 122.820 0.014 0.000 2.168 433 A HA 0.100 4.421 4.320 0.001 0.000 0.215 433 A C 1.761 179.347 177.584 0.002 0.000 1.152 433 A CA 0.800 52.840 52.037 0.006 0.000 0.716 433 A CB -0.183 18.815 19.000 -0.004 0.000 0.794 433 A HN 0.870 nan 8.150 nan 0.000 0.465 434 K N -0.430 119.967 120.400 -0.005 0.000 2.400 434 K HA 0.054 4.375 4.320 0.001 0.000 0.194 434 K C -0.321 176.276 176.600 -0.006 0.000 1.033 434 K CA 0.436 56.713 56.287 -0.016 0.000 1.021 434 K CB 0.281 32.752 32.500 -0.049 0.000 0.808 434 K HN 0.300 nan 8.250 nan 0.000 0.505 435 T N 1.723 116.281 114.554 0.007 0.000 2.795 435 T HA 0.140 4.491 4.350 0.001 0.000 0.282 435 T C -0.460 174.255 174.700 0.024 0.000 0.980 435 T CA -0.567 61.545 62.100 0.021 0.000 1.012 435 T CB 1.750 70.637 68.868 0.032 0.000 0.936 435 T HN -0.008 nan 8.240 nan 0.000 0.457 436 K N 3.159 123.574 120.400 0.025 0.000 2.312 436 K HA 0.379 4.700 4.320 0.001 0.000 0.287 436 K C -0.914 175.697 176.600 0.019 0.000 1.062 436 K CA -0.416 55.882 56.287 0.019 0.000 0.934 436 K CB 0.375 32.882 32.500 0.013 0.000 1.027 436 K HN 0.326 nan 8.250 nan 0.000 0.478 437 V N 5.389 125.314 119.914 0.018 0.000 2.370 437 V HA 0.280 4.400 4.120 0.001 0.000 0.283 437 V C -0.520 175.578 176.094 0.007 0.000 1.023 437 V CA -0.852 61.459 62.300 0.018 0.000 0.857 437 V CB 1.531 33.370 31.823 0.026 0.000 0.985 437 V HN 0.507 nan 8.190 nan 0.000 0.443 438 V N 5.821 125.734 119.914 -0.003 0.000 2.444 438 V HA 0.457 4.578 4.120 0.001 0.000 0.294 438 V C -0.158 175.931 176.094 -0.008 0.000 1.022 438 V CA -0.635 61.656 62.300 -0.014 0.000 0.850 438 V CB 1.954 33.750 31.823 -0.046 0.000 0.992 438 V HN 0.584 nan 8.190 nan 0.000 0.426 439 V N 4.206 124.119 119.914 -0.002 0.000 2.472 439 V HA 0.568 4.689 4.120 0.001 0.000 0.290 439 V C 0.428 176.521 176.094 -0.002 0.000 1.037 439 V CA -0.298 62.001 62.300 -0.001 0.000 0.908 439 V CB 2.139 33.960 31.823 -0.004 0.000 0.985 439 V HN 1.024 nan 8.190 nan 0.000 0.454 440 T N 3.413 117.966 114.554 -0.001 0.000 2.809 440 T HA 0.523 4.873 4.350 0.001 0.000 0.296 440 T C -0.211 174.487 174.700 -0.002 0.000 1.015 440 T CA -0.603 61.496 62.100 -0.002 0.000 0.954 440 T CB 1.208 70.075 68.868 -0.003 0.000 0.950 440 T HN 0.461 nan 8.240 nan 0.000 0.450 466 V N 2.248 122.176 119.914 0.023 0.000 2.815 466 V HA 0.458 4.578 4.120 0.001 0.000 0.314 466 V C 0.019 176.125 176.094 0.020 0.000 1.064 466 V CA 0.032 62.343 62.300 0.019 0.000 0.952 466 V CB 2.068 33.897 31.823 0.009 0.000 1.020 466 V HN 0.343 nan 8.190 nan 0.000 0.439 467 N N 1.096 119.808 118.700 0.020 0.000 2.545 467 N HA 0.229 4.969 4.740 0.001 0.000 0.190 467 N C 0.426 175.953 175.510 0.028 0.000 1.043 467 N CA -0.066 52.997 53.050 0.022 0.000 0.879 467 N CB 0.530 39.027 38.487 0.018 0.000 1.210 467 N HN 0.623 nan 8.380 nan 0.000 0.437 468 R N 0.421 120.935 120.500 0.024 0.000 2.698 468 R HA 0.530 4.871 4.340 0.001 0.000 0.275 468 R C -1.918 174.405 176.300 0.038 0.000 1.001 468 R CA -0.472 55.650 56.100 0.037 0.000 0.896 468 R CB 1.303 31.614 30.300 0.019 0.000 1.218 468 R HN -0.072 nan 8.270 nan 0.000 0.462 469 I N 5.402 126.020 120.570 0.079 0.000 2.447 469 I HA 0.382 4.553 4.170 0.001 0.000 0.287 469 I C -0.526 175.666 176.117 0.125 0.000 1.023 469 I CA -0.722 60.623 61.300 0.076 0.000 1.083 469 I CB 1.954 39.974 38.000 0.034 0.000 1.245 469 I HN 0.473 nan 8.210 nan 0.000 0.434 470 I N 5.293 125.900 120.570 0.063 0.000 2.404 470 I HA 0.446 4.616 4.170 0.001 0.000 0.293 470 I C 0.161 176.304 176.117 0.043 0.000 0.992 470 I CA -0.121 61.210 61.300 0.052 0.000 1.149 470 I CB 2.138 40.143 38.000 0.008 0.000 1.315 470 I HN 0.528 nan 8.210 nan 0.000 0.446 471 T N 2.488 117.074 114.554 0.053 0.000 2.669 471 T HA 0.235 4.586 4.350 0.001 0.000 0.283 471 T C 0.898 175.579 174.700 -0.031 0.000 1.019 471 T CA -0.391 61.721 62.100 0.020 0.000 1.039 471 T CB 1.332 70.236 68.868 0.060 0.000 1.374 471 T HN 0.751 nan 8.240 nan 0.000 0.523 472 E N 0.492 120.643 120.200 -0.080 0.000 2.107 472 E HA -0.036 4.315 4.350 0.001 0.000 0.191 472 E C 1.599 178.071 176.600 -0.213 0.000 0.982 472 E CA 0.911 57.190 56.400 -0.202 0.000 0.809 472 E CB 0.014 29.591 29.700 -0.204 0.000 0.756 472 E HN 0.481 nan 8.360 nan 0.000 0.459 473 K N 0.347 120.704 120.400 -0.071 0.000 2.166 473 K HA 0.267 4.587 4.320 0.001 0.000 0.201 473 K C 0.698 177.331 176.600 0.054 0.000 1.052 473 K CA 0.758 57.049 56.287 0.008 0.000 0.969 473 K CB 0.638 33.157 32.500 0.032 0.000 0.761 473 K HN 0.171 nan 8.250 nan 0.000 0.459 474 A N 0.298 123.127 122.820 0.014 0.000 2.557 474 A HA 0.570 4.890 4.320 0.001 0.000 0.292 474 A C -1.640 175.862 177.584 -0.137 0.000 1.139 474 A CA -0.696 51.260 52.037 -0.135 0.000 0.665 474 A CB 1.497 20.235 19.000 -0.437 0.000 1.285 474 A HN -0.117 nan 8.150 nan 0.000 0.433 475 V N 0.807 120.542 119.914 -0.297 0.000 2.407 475 V HA 0.576 4.697 4.120 0.001 0.000 0.291 475 V C -1.483 174.427 176.094 -0.305 0.000 1.018 475 V CA -0.183 62.027 62.300 -0.150 0.000 0.842 475 V CB 0.766 32.542 31.823 -0.079 0.000 0.996 475 V HN 0.602 nan 8.190 nan 0.000 0.426 476 F N 1.962 121.862 119.950 -0.083 0.000 2.443 476 F HA 0.592 5.120 4.527 0.001 0.000 0.335 476 F C 0.418 176.193 175.800 -0.042 0.000 1.104 476 F CA -0.849 57.101 58.000 -0.083 0.000 1.013 476 F CB 1.225 40.157 39.000 -0.113 0.000 1.136 476 F HN 0.365 nan 8.300 nan 0.000 0.470 477 D N 1.111 121.592 120.400 0.136 0.000 2.294 477 D HA 0.626 5.266 4.640 0.001 0.000 0.250 477 D C -0.910 175.452 176.300 0.104 0.000 1.058 477 D CA -0.067 53.986 54.000 0.088 0.000 0.950 477 D CB 1.964 42.795 40.800 0.052 0.000 1.158 477 D HN 0.164 nan 8.370 nan 0.000 0.453 478 V N 1.252 121.208 119.914 0.070 0.000 2.577 478 V HA 0.338 4.459 4.120 0.001 0.000 0.303 478 V C -0.894 175.229 176.094 0.047 0.000 1.042 478 V CA -0.817 61.519 62.300 0.061 0.000 0.872 478 V CB 1.994 33.843 31.823 0.043 0.000 0.998 478 V HN 0.489 nan 8.190 nan 0.000 0.423 479 D N 2.528 122.957 120.400 0.049 0.000 2.549 479 D HA 0.521 5.162 4.640 0.001 0.000 0.251 479 D C 1.039 177.361 176.300 0.036 0.000 1.153 479 D CA -0.618 53.405 54.000 0.039 0.000 0.861 479 D CB 1.567 42.390 40.800 0.039 0.000 1.207 479 D HN 0.369 nan 8.370 nan 0.000 0.543 480 R N 2.248 122.767 120.500 0.032 0.000 2.224 480 R HA -0.249 4.092 4.340 0.001 0.000 0.255 480 R C 1.233 177.553 176.300 0.032 0.000 1.130 480 R CA 2.054 58.173 56.100 0.032 0.000 0.957 480 R CB -0.242 30.076 30.300 0.029 0.000 0.907 480 R HN 0.450 nan 8.270 nan 0.000 0.446 481 K N -0.317 120.101 120.400 0.030 0.000 2.393 481 K HA 0.101 4.422 4.320 0.001 0.000 0.193 481 K C 1.335 177.953 176.600 0.030 0.000 1.026 481 K CA 0.525 56.829 56.287 0.028 0.000 1.064 481 K CB 0.467 32.981 32.500 0.024 0.000 0.833 481 K HN 0.155 nan 8.250 nan 0.000 0.521 482 K N -0.127 120.295 120.400 0.036 0.000 2.367 482 K HA 0.160 4.480 4.320 0.001 0.000 0.198 482 K C 0.716 177.348 176.600 0.053 0.000 1.132 482 K CA 0.404 56.716 56.287 0.042 0.000 0.941 482 K CB 1.069 33.594 32.500 0.043 0.000 1.052 482 K HN 0.205 nan 8.250 nan 0.000 0.507 483 G N 1.623 110.456 108.800 0.056 0.000 2.587 483 G HA2 -0.226 3.735 3.960 0.001 0.000 0.212 483 G HA3 -0.226 3.735 3.960 0.001 0.000 0.212 483 G C -0.695 174.261 174.900 0.094 0.000 1.327 483 G CA -0.876 44.263 45.100 0.066 0.000 0.898 483 G HN 0.053 nan 8.290 nan 0.000 0.551 484 L N 0.540 121.833 121.223 0.117 0.000 2.483 484 L HA 0.499 4.840 4.340 0.001 0.000 0.276 484 L C 1.062 178.090 176.870 0.263 0.000 1.213 484 L CA 1.046 55.994 54.840 0.180 0.000 0.843 484 L CB 0.982 43.143 42.059 0.171 0.000 1.107 484 L HN 0.980 nan 8.230 nan 0.000 0.487 485 T N 3.782 118.507 114.554 0.284 0.000 3.578 485 T HA 0.257 4.607 4.350 0.001 0.000 0.329 485 T C -0.853 173.925 174.700 0.130 0.000 0.913 485 T CA -0.723 61.520 62.100 0.238 0.000 1.029 485 T CB 0.546 69.498 68.868 0.140 0.000 1.045 485 T HN 0.338 nan 8.240 nan 0.000 0.460 486 L N 7.059 128.313 121.223 0.051 0.000 2.499 486 L HA 0.449 4.790 4.340 0.001 0.000 0.273 486 L C 0.960 177.734 176.870 -0.160 0.000 1.195 486 L CA 0.716 55.344 54.840 -0.354 0.000 0.882 486 L CB 0.105 41.935 42.059 -0.382 0.000 1.133 486 L HN 0.790 nan 8.230 nan 0.000 0.483 487 I N -0.502 119.943 120.570 -0.209 0.000 4.526 487 I HA 0.482 4.653 4.170 0.001 0.000 0.330 487 I C -0.091 175.958 176.117 -0.114 0.000 1.323 487 I CA -0.236 61.000 61.300 -0.106 0.000 1.218 487 I CB 0.283 38.246 38.000 -0.062 0.000 1.233 487 I HN 0.525 nan 8.210 nan 0.000 0.430 488 E N 1.727 121.821 120.200 -0.176 0.000 2.343 488 E HA 0.600 4.951 4.350 0.001 0.000 0.278 488 E C -1.996 174.513 176.600 -0.152 0.000 0.910 488 E CA -0.750 55.573 56.400 -0.129 0.000 0.757 488 E CB 3.503 33.151 29.700 -0.088 0.000 1.218 488 E HN 0.083 nan 8.360 nan 0.000 0.435 489 L N 2.139 123.311 121.223 -0.086 0.000 2.401 489 L HA 0.445 4.785 4.340 0.001 0.000 0.266 489 L C -1.316 175.572 176.870 0.030 0.000 0.991 489 L CA -0.497 54.319 54.840 -0.041 0.000 0.818 489 L CB 1.590 43.623 42.059 -0.043 0.000 1.321 489 L HN 0.670 nan 8.230 nan 0.000 0.413 490 W N 5.967 127.222 121.300 -0.075 0.000 2.308 490 W HA 0.130 4.791 4.660 0.001 0.000 0.324 490 W C 0.044 176.540 176.519 -0.038 0.000 1.387 490 W CA -0.325 56.989 57.345 -0.052 0.000 1.250 490 W CB 0.742 30.178 29.460 -0.041 0.000 1.257 490 W HN 0.718 nan 8.180 nan 0.000 0.554 491 E N 4.696 124.463 120.200 -0.721 0.000 2.729 491 E HA 0.099 4.449 4.350 0.001 0.000 0.246 491 E C 0.861 177.258 176.600 -0.338 0.000 0.984 491 E CA 1.203 57.296 56.400 -0.513 0.000 0.951 491 E CB 0.057 29.404 29.700 -0.588 0.000 0.914 491 E HN 0.748 nan 8.360 nan 0.000 0.509 492 G N 2.969 111.699 108.800 -0.117 0.000 2.391 492 G HA2 -0.223 3.738 3.960 0.001 0.000 0.204 492 G HA3 -0.223 3.738 3.960 0.001 0.000 0.204 492 G C 0.230 175.164 174.900 0.057 0.000 1.012 492 G CA -0.108 44.988 45.100 -0.007 0.000 0.651 492 G HN 0.429 nan 8.290 nan 0.000 0.494 493 L N 1.733 123.016 121.223 0.099 0.000 2.468 493 L HA 0.683 5.024 4.340 0.001 0.000 0.254 493 L C 1.210 178.118 176.870 0.063 0.000 1.171 493 L CA 0.131 55.035 54.840 0.107 0.000 0.809 493 L CB 1.297 43.450 42.059 0.157 0.000 1.155 493 L HN 0.487 nan 8.230 nan 0.000 0.473 494 T N -3.304 111.291 114.554 0.067 0.000 2.907 494 T HA 0.333 4.684 4.350 0.001 0.000 0.290 494 T C 0.776 175.527 174.700 0.085 0.000 1.066 494 T CA -0.822 61.313 62.100 0.058 0.000 1.012 494 T CB 1.531 70.428 68.868 0.049 0.000 1.184 494 T HN 0.153 nan 8.240 nan 0.000 0.522 495 V N 0.907 120.877 119.914 0.094 0.000 2.568 495 V HA -0.112 4.008 4.120 0.001 0.000 0.253 495 V C 2.157 178.358 176.094 0.178 0.000 1.072 495 V CA 1.950 64.348 62.300 0.163 0.000 1.084 495 V CB -0.976 30.928 31.823 0.137 0.000 0.676 495 V HN 0.850 nan 8.190 nan 0.000 0.469 496 D N 0.064 120.529 120.400 0.109 0.000 2.123 496 D HA -0.121 4.519 4.640 0.001 0.000 0.200 496 D C 1.952 178.318 176.300 0.111 0.000 0.976 496 D CA 1.154 55.209 54.000 0.092 0.000 0.831 496 D CB -0.273 40.562 40.800 0.057 0.000 0.974 496 D HN 0.400 nan 8.370 nan 0.000 0.469 497 D N 0.429 120.890 120.400 0.103 0.000 2.104 497 D HA -0.144 4.497 4.640 0.001 0.000 0.194 497 D C 2.171 178.548 176.300 0.129 0.000 0.994 497 D CA 0.558 54.617 54.000 0.098 0.000 0.830 497 D CB -0.184 40.668 40.800 0.087 0.000 0.959 497 D HN 0.175 nan 8.370 nan 0.000 0.452 498 I N 1.154 121.824 120.570 0.167 0.000 2.099 498 I HA -0.247 3.923 4.170 0.001 0.000 0.239 498 I C 2.379 178.687 176.117 0.319 0.000 1.066 498 I CA 1.107 62.535 61.300 0.214 0.000 1.324 498 I CB -1.128 36.991 38.000 0.197 0.000 1.037 498 I HN 0.058 nan 8.210 nan 0.000 0.401 499 K N 0.814 121.460 120.400 0.409 0.000 2.160 499 K HA -0.210 4.110 4.320 0.001 0.000 0.206 499 K C 2.056 178.770 176.600 0.189 0.000 1.047 499 K CA 1.321 57.810 56.287 0.337 0.000 0.930 499 K CB 0.124 32.712 32.500 0.147 0.000 0.720 499 K HN 0.133 nan 8.250 nan 0.000 0.450 500 K N -0.150 120.336 120.400 0.143 0.000 2.155 500 K HA -0.008 4.313 4.320 0.001 0.000 0.203 500 K C 2.055 178.707 176.600 0.085 0.000 1.052 500 K CA 1.157 57.499 56.287 0.093 0.000 0.948 500 K CB 0.134 32.678 32.500 0.073 0.000 0.728 500 K HN 0.086 nan 8.250 nan 0.000 0.448 501 S N 0.131 115.891 115.700 0.101 0.000 2.441 501 S HA 0.021 4.491 4.470 0.001 0.000 0.224 501 S C 0.717 175.359 174.600 0.070 0.000 1.043 501 S CA 0.245 58.489 58.200 0.073 0.000 0.948 501 S CB 0.253 63.492 63.200 0.066 0.000 0.810 501 S HN 0.234 nan 8.310 nan 0.000 0.504 502 T N 1.660 116.283 114.554 0.116 0.000 2.901 502 T HA 0.369 4.719 4.350 0.001 0.000 0.301 502 T C 1.444 176.197 174.700 0.088 0.000 1.012 502 T CA 0.119 62.272 62.100 0.088 0.000 1.135 502 T CB 1.429 70.400 68.868 0.171 0.000 0.936 502 T HN 0.318 nan 8.240 nan 0.000 0.539 503 G N 1.133 109.953 108.800 0.032 0.000 2.417 503 G HA2 -0.044 3.916 3.960 0.001 0.000 0.212 503 G HA3 -0.044 3.916 3.960 0.001 0.000 0.212 503 G C 0.678 175.607 174.900 0.048 0.000 1.187 503 G CA 0.068 45.186 45.100 0.031 0.000 0.804 503 G HN 0.755 nan 8.290 nan 0.000 0.534 504 C N 0.986 120.311 119.300 0.041 0.000 2.604 504 C HA 0.431 4.891 4.460 0.001 0.000 0.396 504 C C 0.644 175.726 174.990 0.153 0.000 1.282 504 C CA -1.150 57.904 59.018 0.061 0.000 2.292 504 C CB 1.073 28.826 27.740 0.023 0.000 2.633 504 C HN 0.498 nan 8.230 nan 0.000 0.620 505 D N -0.062 120.403 120.400 0.108 0.000 2.414 505 D HA 0.628 5.269 4.640 0.001 0.000 0.251 505 D C -0.564 175.870 176.300 0.223 0.000 1.252 505 D CA 0.089 54.129 54.000 0.066 0.000 0.999 505 D CB 0.532 41.319 40.800 -0.022 0.000 1.093 505 D HN 0.523 nan 8.370 nan 0.000 0.515 506 F N -2.346 117.650 119.950 0.076 0.000 2.725 506 F HA 0.632 5.159 4.527 0.001 0.000 0.311 506 F C -1.059 174.797 175.800 0.092 0.000 1.121 506 F CA -1.280 56.788 58.000 0.112 0.000 0.978 506 F CB 0.109 39.243 39.000 0.224 0.000 1.274 506 F HN 0.349 nan 8.300 nan 0.000 0.440 507 A N 1.185 124.183 122.820 0.296 0.000 2.267 507 A HA 0.826 5.147 4.320 0.001 0.000 0.271 507 A C -0.948 176.810 177.584 0.290 0.000 1.131 507 A CA -0.532 51.609 52.037 0.174 0.000 0.818 507 A CB 0.835 19.911 19.000 0.127 0.000 1.118 507 A HN 1.177 nan 8.150 nan 0.000 0.501 508 V N 0.645 120.653 119.914 0.157 0.000 2.524 508 V HA 0.328 4.449 4.120 0.001 0.000 0.297 508 V C 0.303 176.441 176.094 0.073 0.000 1.035 508 V CA -0.463 61.925 62.300 0.146 0.000 0.867 508 V CB 1.365 33.262 31.823 0.123 0.000 1.004 508 V HN 0.977 nan 8.190 nan 0.000 0.426 509 S N 6.193 121.924 115.700 0.051 0.000 2.525 509 S HA 0.186 4.657 4.470 0.001 0.000 0.285 509 S C -1.342 173.267 174.600 0.014 0.000 1.283 509 S CA -0.612 57.603 58.200 0.025 0.000 1.072 509 S CB 0.983 64.188 63.200 0.008 0.000 0.867 509 S HN 0.608 nan 8.310 nan 0.000 0.492 510 P HA 0.010 nan 4.420 nan 0.000 0.231 510 P C -0.006 177.293 177.300 -0.002 0.000 1.158 510 P CA 0.813 63.917 63.100 0.006 0.000 0.763 510 P CB 0.115 31.819 31.700 0.006 0.000 0.805 511 K N -1.286 119.112 120.400 -0.004 0.000 2.399 511 K HA 0.166 4.486 4.320 0.001 0.000 0.204 511 K C 0.097 176.685 176.600 -0.021 0.000 1.023 511 K CA -0.498 55.782 56.287 -0.012 0.000 1.127 511 K CB -0.460 32.034 32.500 -0.011 0.000 0.856 511 K HN 0.001 nan 8.250 nan 0.000 0.514 512 L N 2.789 124.000 121.223 -0.019 0.000 2.706 512 L HA -0.007 4.333 4.340 0.001 0.000 0.282 512 L C -0.085 176.761 176.870 -0.040 0.000 1.219 512 L CA 0.734 55.555 54.840 -0.032 0.000 0.935 512 L CB -0.321 41.726 42.059 -0.020 0.000 1.204 512 L HN 0.314 nan 8.230 nan 0.000 0.491 513 I N 2.719 123.258 120.570 -0.052 0.000 3.206 513 I HA 0.707 4.878 4.170 0.001 0.000 0.313 513 I C -2.546 173.525 176.117 -0.076 0.000 1.103 513 I CA -2.885 58.380 61.300 -0.059 0.000 0.985 513 I CB 1.758 39.726 38.000 -0.054 0.000 1.240 513 I HN 0.347 nan 8.210 nan 0.000 0.464 514 P HA 0.190 nan 4.420 nan 0.000 0.275 514 P C -0.452 176.778 177.300 -0.118 0.000 1.227 514 P CA -0.323 62.693 63.100 -0.139 0.000 0.781 514 P CB 0.577 32.164 31.700 -0.189 0.000 0.906 515 M N 2.986 122.533 119.600 -0.089 0.000 2.261 515 M HA -0.072 4.408 4.480 0.001 0.000 0.350 515 M C 0.241 176.523 176.300 -0.030 0.000 1.343 515 M CA 0.797 56.100 55.300 0.005 0.000 1.003 515 M CB 0.058 32.788 32.600 0.217 0.000 1.848 515 M HN 0.390 nan 8.290 nan 0.000 0.456 516 Q N 2.610 122.404 119.800 -0.009 0.000 2.471 516 Q HA 0.229 4.569 4.340 0.001 0.000 0.223 516 Q C -0.959 175.053 176.000 0.021 0.000 1.045 516 Q CA -0.030 55.763 55.803 -0.017 0.000 0.956 516 Q CB 0.848 29.575 28.738 -0.017 0.000 1.249 516 Q HN 0.563 nan 8.270 nan 0.000 0.549 517 Q N -0.097 119.705 119.800 0.003 0.000 2.295 517 Q HA 0.259 4.600 4.340 0.001 0.000 0.268 517 Q C -1.724 174.269 176.000 -0.011 0.000 1.010 517 Q CA -0.482 55.330 55.803 0.015 0.000 0.856 517 Q CB 2.050 30.812 28.738 0.041 0.000 1.349 517 Q HN 0.530 nan 8.270 nan 0.000 0.412 518 V N 0.723 120.621 119.914 -0.027 0.000 2.539 518 V HA 0.373 4.494 4.120 0.001 0.000 0.300 518 V C 0.755 176.845 176.094 -0.007 0.000 1.019 518 V CA 0.735 63.029 62.300 -0.010 0.000 1.160 518 V CB -0.545 31.276 31.823 -0.003 0.000 0.901 518 V HN 0.968 nan 8.190 nan 0.000 0.481 519 T N 3.468 118.028 114.554 0.009 0.000 3.162 519 T HA 0.535 4.886 4.350 0.001 0.000 0.264 519 T C 0.667 175.384 174.700 0.029 0.000 0.959 519 T CA 0.527 62.633 62.100 0.011 0.000 1.118 519 T CB -0.979 67.893 68.868 0.007 0.000 0.979 519 T HN 1.403 nan 8.240 nan 0.000 0.679 520 T N 0.000 114.575 114.554 0.035 0.000 3.816 520 T HA 0.000 4.351 4.350 0.001 0.000 0.228 520 T CA 0.000 62.141 62.100 0.068 0.000 1.349 520 T CB 0.000 68.926 68.868 0.097 0.000 0.612 520 T HN 0.000 nan 8.240 nan 0.000 0.658