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 2zaa_1_A DATA FIRST_RESID 81 DATA SEQUENCE PAAAPGKNFD LSHWKLQLPD ANTTEISSAN LGLGYTSQYF YTDTDGAMTF DATA SEQUENCE WAPTTGGTTA NSSYPRSELR EMLDPSNSKV NWGWQGTHTM KLSGKTVQLP DATA SEQUENCE SSGKIIVAQI NGIMDDGTNA PPLVKAVFQD GQLDMQVKQN SDGTGSDVHN DATA SEQUENCE YFTGIKLGDL YNMEIRVTDG VAYVTMNGDT RSVDFVGKDA GWKNLKYYFK DATA SEQUENCE AGNFVQDNTS TGGSAIAKLY SLSVSHSNLE HH 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 81 P HA 0.000 nan 4.420 nan 0.000 0.216 81 P C 0.000 177.287 177.300 -0.021 0.000 1.155 81 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 81 P CB 0.000 31.680 31.700 -0.034 0.000 0.726 82 A N 0.574 123.382 122.820 -0.021 0.000 2.466 82 A HA 0.567 2.496 4.320 -3.985 0.000 0.238 82 A C 0.598 178.173 177.584 -0.014 0.000 1.074 82 A CA 0.434 52.462 52.037 -0.015 0.000 0.774 82 A CB -0.274 18.719 19.000 -0.013 0.000 1.015 82 A HN 0.749 nan 8.150 nan 0.000 0.498 83 A N 1.232 124.047 122.820 -0.008 0.000 2.498 83 A HA 0.518 2.447 4.320 -3.985 0.000 0.239 83 A C 0.959 178.542 177.584 -0.002 0.000 1.068 83 A CA 0.234 52.272 52.037 0.002 0.000 0.766 83 A CB -0.460 18.546 19.000 0.009 0.000 1.003 83 A HN 2.232 nan 8.150 nan 0.000 0.497 84 A N 3.967 126.791 122.820 0.006 0.000 2.466 84 A HA 0.446 2.375 4.320 -3.985 0.000 0.238 84 A C -1.149 176.447 177.584 0.019 0.000 1.074 84 A CA -0.655 51.380 52.037 -0.002 0.000 0.774 84 A CB -0.409 18.615 19.000 0.040 0.000 1.015 84 A HN 0.634 nan 8.150 nan 0.000 0.498 85 P HA -0.150 nan 4.420 nan 0.000 0.216 85 P C 1.463 178.885 177.300 0.203 0.000 1.153 85 P CA 2.088 65.164 63.100 -0.040 0.000 0.858 85 P CB 0.097 31.456 31.700 -0.570 0.000 0.789 86 G N -0.925 108.027 108.800 0.253 0.000 2.744 86 G HA2 -0.128 1.442 3.960 -3.985 0.000 0.211 86 G HA3 -0.128 1.442 3.960 -3.985 0.000 0.211 86 G C 1.083 176.099 174.900 0.194 0.000 1.143 86 G CA 0.139 45.399 45.100 0.267 0.000 0.788 86 G HN 0.289 nan 8.290 nan 0.000 0.534 87 K N 0.089 120.579 120.400 0.150 0.000 2.493 87 K HA 0.201 2.130 4.320 -3.985 0.000 0.207 87 K C 0.852 177.501 176.600 0.082 0.000 1.033 87 K CA -0.195 56.154 56.287 0.103 0.000 1.161 87 K CB 0.166 32.712 32.500 0.076 0.000 0.873 87 K HN 0.369 nan 8.250 nan 0.000 0.491 88 N N -0.400 118.369 118.700 0.114 0.000 3.366 88 N HA 0.078 2.427 4.740 -3.985 0.000 0.263 88 N C -0.456 175.076 175.510 0.036 0.000 1.086 88 N CA -0.280 52.800 53.050 0.050 0.000 1.261 88 N CB 0.192 38.713 38.487 0.057 0.000 1.115 88 N HN -0.123 nan 8.380 nan 0.000 1.031 89 F N 2.530 122.502 119.950 0.037 0.000 2.595 89 F HA 0.042 2.180 4.527 -3.982 0.000 0.359 89 F C 0.700 176.571 175.800 0.117 0.000 1.147 89 F CA 0.040 58.085 58.000 0.074 0.000 1.341 89 F CB 0.298 39.340 39.000 0.069 0.000 1.104 89 F HN 0.209 nan 8.300 nan 0.000 0.603 90 D N 3.956 124.546 120.400 0.316 0.000 2.374 90 D HA 0.127 2.376 4.640 -3.985 0.000 0.240 90 D C -0.005 176.526 176.300 0.385 0.000 1.229 90 D CA 0.149 54.317 54.000 0.280 0.000 0.895 90 D CB 0.228 41.163 40.800 0.225 0.000 1.046 90 D HN 0.461 nan 8.370 nan 0.000 0.498 91 L N 3.084 124.522 121.223 0.358 0.000 2.928 91 L HA 0.073 2.022 4.340 -3.985 0.000 0.246 91 L C 1.893 178.958 176.870 0.325 0.000 1.239 91 L CA -0.171 54.943 54.840 0.457 0.000 1.035 91 L CB -0.051 42.225 42.059 0.363 0.000 1.360 91 L HN 0.331 nan 8.230 nan 0.000 0.529 92 S N -1.911 113.910 115.700 0.201 0.000 2.507 92 S HA -0.102 1.977 4.470 -3.985 0.000 0.235 92 S C 1.142 175.570 174.600 -0.286 0.000 0.988 92 S CA 0.672 58.862 58.200 -0.017 0.000 0.944 92 S CB -0.268 62.911 63.200 -0.034 0.000 0.762 92 S HN 0.475 nan 8.310 nan 0.000 0.526 93 H N -0.633 118.474 119.070 0.060 0.000 2.505 93 H HA 0.371 2.532 4.556 -3.991 0.000 0.260 93 H C -1.410 173.735 175.328 -0.304 0.000 1.168 93 H CA -0.407 55.574 56.048 -0.113 0.000 0.945 93 H CB -0.110 29.552 29.762 -0.167 0.000 1.800 93 H HN 0.451 nan 8.280 nan 0.000 0.586 94 W N 1.701 123.078 121.300 0.129 0.000 3.033 94 W HA 0.341 2.601 4.660 -4.000 0.000 0.336 94 W C -0.420 176.109 176.519 0.018 0.000 1.173 94 W CA -0.974 56.431 57.345 0.100 0.000 1.185 94 W CB 1.639 31.170 29.460 0.118 0.000 1.425 94 W HN -0.023 nan 8.180 nan 0.000 0.536 95 K N 0.887 121.443 120.400 0.259 0.000 2.350 95 K HA 0.900 2.829 4.320 -3.985 0.000 0.241 95 K C -1.754 174.865 176.600 0.032 0.000 0.994 95 K CA -1.058 55.275 56.287 0.077 0.000 0.839 95 K CB 2.309 34.806 32.500 -0.006 0.000 1.244 95 K HN 0.417 nan 8.250 nan 0.000 0.443 96 L N 1.321 122.475 121.223 -0.114 0.000 2.305 96 L HA 0.313 2.262 4.340 -3.985 0.000 0.284 96 L C -1.124 175.644 176.870 -0.171 0.000 1.013 96 L CA -0.071 54.654 54.840 -0.192 0.000 0.819 96 L CB 1.678 43.462 42.059 -0.458 0.000 1.227 96 L HN 0.684 nan 8.230 nan 0.000 0.417 97 Q N 5.378 125.112 119.800 -0.110 0.000 2.278 97 Q HA 0.561 2.510 4.340 -3.985 0.000 0.257 97 Q C -1.177 174.762 176.000 -0.101 0.000 0.928 97 Q CA -0.423 55.316 55.803 -0.107 0.000 0.932 97 Q CB 1.987 30.671 28.738 -0.090 0.000 1.221 97 Q HN 0.634 nan 8.270 nan 0.000 0.434 98 L N 3.984 125.128 121.223 -0.133 0.000 2.332 98 L HA 0.481 2.430 4.340 -3.985 0.000 0.269 98 L C -1.796 174.930 176.870 -0.240 0.000 1.016 98 L CA -1.959 52.766 54.840 -0.191 0.000 0.809 98 L CB 1.666 43.597 42.059 -0.213 0.000 1.280 98 L HN 0.516 nan 8.230 nan 0.000 0.447 99 P HA 0.080 nan 4.420 nan 0.000 0.259 99 P C -0.892 176.216 177.300 -0.320 0.000 1.530 99 P CA -0.234 62.682 63.100 -0.306 0.000 1.022 99 P CB -0.122 31.414 31.700 -0.272 0.000 1.514 100 D N 0.027 120.210 120.400 -0.361 0.000 2.369 100 D HA 0.040 2.289 4.640 -3.985 0.000 0.241 100 D C 1.409 177.694 176.300 -0.024 0.000 1.271 100 D CA -0.312 53.629 54.000 -0.099 0.000 0.942 100 D CB 0.410 41.219 40.800 0.016 0.000 1.129 100 D HN -0.066 nan 8.370 nan 0.000 0.476 101 A N 0.803 123.645 122.820 0.036 0.000 1.917 101 A HA -0.262 1.667 4.320 -3.985 0.000 0.219 101 A C 1.704 179.294 177.584 0.008 0.000 1.182 101 A CA 1.506 53.561 52.037 0.030 0.000 0.633 101 A CB -0.627 18.401 19.000 0.048 0.000 0.819 101 A HN 0.634 nan 8.150 nan 0.000 0.448 102 N N -0.208 118.496 118.700 0.006 0.000 2.336 102 N HA 0.002 2.351 4.740 -3.985 0.000 0.189 102 N C 0.215 175.710 175.510 -0.026 0.000 1.113 102 N CA 1.161 54.208 53.050 -0.005 0.000 0.858 102 N CB -0.247 38.242 38.487 0.004 0.000 0.970 102 N HN 0.656 nan 8.380 nan 0.000 0.471 103 T N -1.813 112.715 114.554 -0.043 0.000 3.639 103 T HA -0.208 1.751 4.350 -3.985 0.000 0.386 103 T C 0.111 174.768 174.700 -0.072 0.000 0.764 103 T CA 0.416 62.476 62.100 -0.067 0.000 1.954 103 T CB -2.744 66.091 68.868 -0.055 0.000 1.755 103 T HN 0.109 nan 8.240 nan 0.000 0.715 104 T N 2.546 117.057 114.554 -0.071 0.000 2.946 104 T HA 0.269 2.228 4.350 -3.985 0.000 0.311 104 T C 0.563 175.194 174.700 -0.115 0.000 1.063 104 T CA -0.010 62.045 62.100 -0.074 0.000 1.139 104 T CB 0.553 69.390 68.868 -0.051 0.000 0.994 104 T HN 0.661 nan 8.240 nan 0.000 0.547 105 E N 1.857 121.985 120.200 -0.121 0.000 2.199 105 E HA 0.398 2.357 4.350 -3.985 0.000 0.269 105 E C -0.569 175.914 176.600 -0.196 0.000 0.899 105 E CA -0.861 55.448 56.400 -0.152 0.000 0.772 105 E CB 1.424 31.054 29.700 -0.115 0.000 1.155 105 E HN 0.334 nan 8.360 nan 0.000 0.408 106 I N 2.597 123.000 120.570 -0.278 0.000 2.339 106 I HA 0.100 1.879 4.170 -3.985 0.000 0.290 106 I C 0.835 176.834 176.117 -0.197 0.000 0.994 106 I CA -0.560 60.540 61.300 -0.333 0.000 1.191 106 I CB 0.825 38.419 38.000 -0.677 0.000 1.343 106 I HN 0.485 nan 8.210 nan 0.000 0.458 107 S N 4.187 119.813 115.700 -0.124 0.000 2.576 107 S HA 0.123 2.202 4.470 -3.985 0.000 0.272 107 S C 1.300 175.880 174.600 -0.033 0.000 1.352 107 S CA -0.285 57.876 58.200 -0.066 0.000 1.021 107 S CB 0.936 64.109 63.200 -0.046 0.000 0.887 107 S HN 0.591 nan 8.310 nan 0.000 0.542 108 S N 2.106 117.801 115.700 -0.007 0.000 2.372 108 S HA -0.188 1.891 4.470 -3.985 0.000 0.227 108 S C 2.275 176.893 174.600 0.030 0.000 1.044 108 S CA 1.536 59.751 58.200 0.024 0.000 1.050 108 S CB -1.227 61.963 63.200 -0.016 0.000 0.901 108 S HN 0.968 nan 8.310 nan 0.000 0.447 109 A N 2.367 125.193 122.820 0.010 0.000 1.902 109 A HA -0.130 1.799 4.320 -3.985 0.000 0.217 109 A C 1.955 179.567 177.584 0.046 0.000 1.181 109 A CA 1.489 53.540 52.037 0.023 0.000 0.623 109 A CB -0.638 18.369 19.000 0.011 0.000 0.818 109 A HN 0.445 nan 8.150 nan 0.000 0.443 110 N N 0.145 118.866 118.700 0.036 0.000 2.188 110 N HA -0.066 2.283 4.740 -3.985 0.000 0.184 110 N C 1.676 177.261 175.510 0.126 0.000 1.018 110 N CA 1.138 54.227 53.050 0.065 0.000 0.858 110 N CB -0.448 38.056 38.487 0.028 0.000 0.989 110 N HN 0.515 nan 8.380 nan 0.000 0.426 111 L N 0.212 121.497 121.223 0.103 0.000 2.012 111 L HA -0.103 1.846 4.340 -3.985 0.000 0.210 111 L C 2.406 179.393 176.870 0.195 0.000 1.073 111 L CA 1.472 56.422 54.840 0.182 0.000 0.748 111 L CB -0.901 41.242 42.059 0.140 0.000 0.891 111 L HN 0.202 nan 8.230 nan 0.000 0.431 112 G N -0.302 108.584 108.800 0.143 0.000 2.471 112 G HA2 -0.157 1.412 3.960 -3.985 0.000 0.219 112 G HA3 -0.157 1.412 3.960 -3.985 0.000 0.219 112 G C 1.504 176.471 174.900 0.112 0.000 1.125 112 G CA 0.267 45.444 45.100 0.127 0.000 0.775 112 G HN 0.272 nan 8.290 nan 0.000 0.548 113 L N 0.033 121.322 121.223 0.110 0.000 2.591 113 L HA 0.293 2.242 4.340 -3.985 0.000 0.228 113 L C 1.767 178.704 176.870 0.112 0.000 1.133 113 L CA 0.503 55.401 54.840 0.097 0.000 0.880 113 L CB 0.242 42.351 42.059 0.083 0.000 1.033 113 L HN 0.347 nan 8.230 nan 0.000 0.450 114 G N -1.196 107.694 108.800 0.150 0.000 2.141 114 G HA2 -0.321 1.248 3.960 -3.985 0.000 0.164 114 G HA3 -0.321 1.248 3.960 -3.985 0.000 0.164 114 G C 0.035 175.034 174.900 0.165 0.000 1.009 114 G CA -0.574 44.610 45.100 0.140 0.000 0.677 114 G HN 0.215 nan 8.290 nan 0.000 0.508 115 Y N 1.560 121.942 120.300 0.137 0.000 2.805 115 Y HA 0.414 2.576 4.550 -3.981 0.000 0.331 115 Y C 0.560 176.616 175.900 0.261 0.000 1.241 115 Y CA 1.683 59.879 58.100 0.159 0.000 1.546 115 Y CB 0.746 39.277 38.460 0.117 0.000 1.248 115 Y HN 0.361 nan 8.280 nan 0.000 0.559 116 T N 5.003 119.154 114.554 -0.672 0.000 3.012 116 T HA 0.629 2.588 4.350 -3.985 0.000 0.330 116 T C -1.228 173.147 174.700 -0.541 0.000 1.321 116 T CA -0.039 61.811 62.100 -0.418 0.000 1.067 116 T CB 0.580 69.365 68.868 -0.137 0.000 1.235 116 T HN 0.974 nan 8.240 nan 0.000 0.479 117 S N 2.682 118.242 115.700 -0.233 0.000 2.752 117 S HA 0.326 2.405 4.470 -3.985 0.000 0.284 117 S C 1.130 175.716 174.600 -0.024 0.000 1.189 117 S CA -0.179 57.950 58.200 -0.118 0.000 0.835 117 S CB 1.101 64.330 63.200 0.048 0.000 1.192 117 S HN 0.935 nan 8.310 nan 0.000 0.506 118 Q N -0.154 119.536 119.800 -0.183 0.000 2.234 118 Q HA -0.173 1.776 4.340 -3.985 0.000 0.206 118 Q C 0.817 176.872 176.000 0.092 0.000 0.980 118 Q CA 1.860 57.488 55.803 -0.291 0.000 0.869 118 Q CB -0.844 27.576 28.738 -0.530 0.000 0.912 118 Q HN 0.794 nan 8.270 nan 0.000 0.436 119 Y N -0.766 119.832 120.300 0.496 0.000 2.523 119 Y HA 0.270 2.432 4.550 -3.981 0.000 0.279 119 Y C -0.060 176.175 175.900 0.558 0.000 1.139 119 Y CA -0.224 58.238 58.100 0.603 0.000 1.296 119 Y CB 0.483 39.228 38.460 0.474 0.000 1.045 119 Y HN 0.173 nan 8.280 nan 0.000 0.538 120 F N 1.085 121.268 119.950 0.389 0.000 3.055 120 F HA 0.420 2.558 4.527 -3.981 0.000 0.358 120 F C -1.602 174.220 175.800 0.036 0.000 1.262 120 F CA -1.683 56.353 58.000 0.060 0.000 1.172 120 F CB 0.364 39.480 39.000 0.193 0.000 1.503 120 F HN -0.064 nan 8.300 nan 0.000 0.621 121 Y N 1.085 121.026 120.300 -0.599 0.000 2.656 121 Y HA 0.670 2.830 4.550 -3.983 0.000 0.334 121 Y C -1.297 174.311 175.900 -0.486 0.000 1.179 121 Y CA -1.447 56.376 58.100 -0.463 0.000 1.050 121 Y CB 0.999 39.307 38.460 -0.254 0.000 1.308 121 Y HN 0.246 nan 8.280 nan 0.000 0.456 122 T N 2.876 117.319 114.554 -0.185 0.000 2.729 122 T HA 0.162 2.121 4.350 -3.985 0.000 0.296 122 T C -0.574 174.136 174.700 0.016 0.000 0.928 122 T CA -0.124 61.882 62.100 -0.158 0.000 1.045 122 T CB 0.396 69.211 68.868 -0.088 0.000 0.902 122 T HN 0.600 nan 8.240 nan 0.000 0.500 123 D N 1.525 121.902 120.400 -0.038 0.000 2.411 123 D HA 0.124 2.373 4.640 -3.985 0.000 0.251 123 D C 1.764 178.087 176.300 0.039 0.000 1.201 123 D CA -0.262 53.783 54.000 0.075 0.000 0.996 123 D CB 1.059 41.886 40.800 0.045 0.000 1.101 123 D HN 0.532 nan 8.370 nan 0.000 0.504 124 T N -1.860 112.720 114.554 0.045 0.000 2.929 124 T HA -0.202 1.757 4.350 -3.985 0.000 0.271 124 T C 0.864 175.588 174.700 0.039 0.000 1.085 124 T CA 1.304 63.421 62.100 0.028 0.000 1.125 124 T CB -0.195 68.684 68.868 0.018 0.000 0.874 124 T HN 0.445 nan 8.240 nan 0.000 0.494 125 D N 0.545 120.985 120.400 0.067 0.000 2.328 125 D HA 0.270 2.519 4.640 -3.985 0.000 0.226 125 D C 1.633 178.020 176.300 0.144 0.000 1.066 125 D CA 0.400 54.466 54.000 0.110 0.000 0.861 125 D CB -0.713 40.193 40.800 0.178 0.000 0.912 125 D HN 0.568 nan 8.370 nan 0.000 0.521 126 G N -0.354 108.492 108.800 0.077 0.000 2.199 126 G HA2 -0.229 1.340 3.960 -3.985 0.000 0.254 126 G HA3 -0.229 1.340 3.960 -3.985 0.000 0.254 126 G C 0.578 175.506 174.900 0.047 0.000 0.982 126 G CA 0.145 45.282 45.100 0.062 0.000 0.632 126 G HN 0.860 nan 8.290 nan 0.000 0.529 127 A N 0.450 123.238 122.820 -0.055 0.000 2.498 127 A HA 0.616 2.545 4.320 -3.985 0.000 0.239 127 A C 0.716 178.095 177.584 -0.341 0.000 1.068 127 A CA 0.893 52.721 52.037 -0.348 0.000 0.766 127 A CB 0.242 18.772 19.000 -0.785 0.000 1.003 127 A HN 1.382 nan 8.150 nan 0.000 0.497 128 M N 3.166 122.526 119.600 -0.399 0.000 2.227 128 M HA 0.249 2.338 4.480 -3.985 0.000 0.349 128 M C -0.720 175.063 176.300 -0.861 0.000 1.443 128 M CA 0.704 55.554 55.300 -0.750 0.000 1.110 128 M CB -0.059 31.924 32.600 -1.029 0.000 1.773 128 M HN 0.643 nan 8.290 nan 0.000 0.463 129 T N 6.057 119.951 114.554 -1.100 0.000 2.824 129 T HA 0.578 2.537 4.350 -3.985 0.000 0.282 129 T C -1.183 172.943 174.700 -0.958 0.000 0.993 129 T CA -0.285 61.247 62.100 -0.947 0.000 0.967 129 T CB 0.692 68.879 68.868 -1.135 0.000 0.960 129 T HN 0.470 nan 8.240 nan 0.000 0.441 130 F N 2.091 121.909 119.950 -0.221 0.000 2.427 130 F HA 0.539 2.679 4.527 -3.978 0.000 0.348 130 F C -0.495 175.421 175.800 0.193 0.000 1.125 130 F CA -1.049 56.986 58.000 0.059 0.000 0.989 130 F CB 1.239 40.274 39.000 0.059 0.000 1.165 130 F HN 0.586 nan 8.300 nan 0.000 0.442 131 W N 4.411 125.903 121.300 0.320 0.000 2.587 131 W HA 0.802 3.073 4.660 -3.982 0.000 0.324 131 W C -1.570 175.182 176.519 0.388 0.000 1.040 131 W CA -0.962 56.574 57.345 0.318 0.000 1.222 131 W CB 1.692 31.354 29.460 0.336 0.000 1.381 131 W HN 0.618 nan 8.180 nan 0.000 0.483 132 A N 7.986 130.442 122.820 -0.606 0.000 2.427 132 A HA 0.688 2.617 4.320 -3.985 0.000 0.298 132 A C -2.924 174.123 177.584 -0.894 0.000 1.036 132 A CA -1.475 50.183 52.037 -0.633 0.000 0.701 132 A CB 1.890 20.778 19.000 -0.188 0.000 1.250 132 A HN 0.392 nan 8.150 nan 0.000 0.412 133 P HA 0.238 nan 4.420 nan 0.000 0.284 133 P C 0.937 178.139 177.300 -0.163 0.000 1.258 133 P CA -0.057 62.795 63.100 -0.415 0.000 0.824 133 P CB 1.230 32.810 31.700 -0.200 0.000 1.038 134 T N -2.497 112.017 114.554 -0.068 0.000 2.929 134 T HA -0.119 1.840 4.350 -3.985 0.000 0.271 134 T C 1.299 176.011 174.700 0.020 0.000 1.085 134 T CA 1.828 63.923 62.100 -0.009 0.000 1.125 134 T CB -1.580 67.298 68.868 0.017 0.000 0.874 134 T HN 0.518 nan 8.240 nan 0.000 0.494 135 T N -0.926 113.642 114.554 0.023 0.000 3.148 135 T HA 0.369 2.328 4.350 -3.985 0.000 0.253 135 T C 1.184 175.904 174.700 0.034 0.000 1.134 135 T CA -0.133 61.990 62.100 0.039 0.000 1.051 135 T CB -0.494 68.410 68.868 0.060 0.000 0.959 135 T HN 0.527 nan 8.240 nan 0.000 0.525 136 G N 0.540 109.346 108.800 0.010 0.000 2.636 136 G HA2 0.475 2.044 3.960 -3.985 0.000 0.246 136 G HA3 0.475 2.044 3.960 -3.985 0.000 0.246 136 G C 0.504 175.405 174.900 0.001 0.000 1.216 136 G CA -0.426 44.672 45.100 -0.005 0.000 0.854 136 G HN 0.513 nan 8.290 nan 0.000 0.572 137 G N -0.528 108.263 108.800 -0.014 0.000 2.554 137 G HA2 0.472 2.042 3.960 -3.985 0.000 0.238 137 G HA3 0.472 2.042 3.960 -3.985 0.000 0.238 137 G C 0.409 175.305 174.900 -0.007 0.000 1.259 137 G CA 0.707 45.800 45.100 -0.012 0.000 0.843 137 G HN 1.050 nan 8.290 nan 0.000 0.582 138 T N -1.817 112.738 114.554 0.002 0.000 2.916 138 T HA 0.682 2.641 4.350 -3.985 0.000 0.292 138 T C 0.530 175.230 174.700 0.001 0.000 1.055 138 T CA -0.125 61.989 62.100 0.022 0.000 1.009 138 T CB 1.530 70.419 68.868 0.034 0.000 1.118 138 T HN 0.864 nan 8.240 nan 0.000 0.497 139 T N -0.376 114.179 114.554 0.002 0.000 2.766 139 T HA 0.488 2.447 4.350 -3.985 0.000 0.295 139 T C 1.919 176.610 174.700 -0.014 0.000 1.024 139 T CA -0.269 61.819 62.100 -0.020 0.000 1.018 139 T CB 0.114 68.957 68.868 -0.041 0.000 1.002 139 T HN 1.009 nan 8.240 nan 0.000 0.532 140 A N 1.472 124.279 122.820 -0.021 0.000 1.948 140 A HA -0.113 1.816 4.320 -3.985 0.000 0.220 140 A C 1.718 179.292 177.584 -0.016 0.000 1.177 140 A CA 1.828 53.853 52.037 -0.020 0.000 0.636 140 A CB -1.003 17.983 19.000 -0.023 0.000 0.815 140 A HN 0.919 nan 8.150 nan 0.000 0.449 141 N N -1.406 117.288 118.700 -0.010 0.000 2.338 141 N HA 0.270 2.619 4.740 -3.985 0.000 0.251 141 N C -0.537 174.983 175.510 0.017 0.000 1.199 141 N CA 0.276 53.324 53.050 -0.003 0.000 0.879 141 N CB 1.011 39.496 38.487 -0.004 0.000 1.159 141 N HN 0.221 nan 8.380 nan 0.000 0.514 142 S N -1.140 114.574 115.700 0.024 0.000 2.549 142 S HA 0.381 2.460 4.470 -3.985 0.000 0.280 142 S C 0.196 174.783 174.600 -0.021 0.000 1.109 142 S CA -0.585 57.655 58.200 0.066 0.000 0.905 142 S CB 1.348 64.674 63.200 0.211 0.000 1.081 142 S HN 0.025 nan 8.310 nan 0.000 0.477 143 S N 2.212 117.800 115.700 -0.187 0.000 2.593 143 S HA 0.273 2.352 4.470 -3.985 0.000 0.217 143 S C -0.891 173.496 174.600 -0.355 0.000 0.966 143 S CA 0.211 58.207 58.200 -0.340 0.000 0.914 143 S CB -0.206 62.691 63.200 -0.505 0.000 0.776 143 S HN 0.638 nan 8.310 nan 0.000 0.523 144 Y N 1.732 122.103 120.300 0.118 0.000 2.429 144 Y HA 0.488 2.644 4.550 -3.991 0.000 0.342 144 Y C -2.531 173.495 175.900 0.209 0.000 1.004 144 Y CA -3.306 54.849 58.100 0.091 0.000 1.075 144 Y CB 0.962 39.363 38.460 -0.098 0.000 1.214 144 Y HN -0.058 nan 8.280 nan 0.000 0.455 145 P HA 0.424 nan 4.420 nan 0.000 0.279 145 P C -1.078 176.363 177.300 0.236 0.000 1.252 145 P CA -0.650 62.554 63.100 0.173 0.000 0.811 145 P CB 1.759 33.492 31.700 0.055 0.000 1.035 146 R N -0.803 119.777 120.500 0.133 0.000 2.707 146 R HA 0.680 2.629 4.340 -3.985 0.000 0.272 146 R C -1.475 174.839 176.300 0.025 0.000 1.011 146 R CA -0.846 55.332 56.100 0.130 0.000 0.893 146 R CB 1.070 31.425 30.300 0.093 0.000 1.233 146 R HN 0.300 nan 8.270 nan 0.000 0.464 147 S N 0.862 116.606 115.700 0.074 0.000 2.667 147 S HA 0.299 2.378 4.470 -3.985 0.000 0.304 147 S C -1.237 173.451 174.600 0.147 0.000 1.135 147 S CA -0.452 57.847 58.200 0.165 0.000 1.125 147 S CB 0.518 63.931 63.200 0.354 0.000 0.996 147 S HN 0.628 nan 8.310 nan 0.000 0.474 148 E N 4.289 124.510 120.200 0.035 0.000 2.335 148 E HA 0.370 2.330 4.350 -3.985 0.000 0.280 148 E C -1.309 175.249 176.600 -0.071 0.000 0.918 148 E CA -0.647 55.665 56.400 -0.145 0.000 0.765 148 E CB 1.189 30.805 29.700 -0.141 0.000 1.218 148 E HN 0.568 nan 8.360 nan 0.000 0.425 149 L N 2.854 124.001 121.223 -0.127 0.000 2.395 149 L HA 0.481 2.430 4.340 -3.985 0.000 0.269 149 L C 0.387 177.391 176.870 0.224 0.000 1.133 149 L CA -0.456 54.381 54.840 -0.004 0.000 0.812 149 L CB 0.674 42.534 42.059 -0.332 0.000 1.125 149 L HN 0.297 nan 8.230 nan 0.000 0.452 150 R N 3.168 123.915 120.500 0.412 0.000 2.451 150 R HA 0.202 2.151 4.340 -3.985 0.000 0.307 150 R C -0.787 175.780 176.300 0.445 0.000 0.965 150 R CA -0.576 55.752 56.100 0.381 0.000 0.865 150 R CB 1.562 31.904 30.300 0.070 0.000 1.174 150 R HN 0.725 nan 8.270 nan 0.000 0.455 151 E N 4.824 125.269 120.200 0.408 0.000 2.415 151 E HA 0.033 1.993 4.350 -3.985 0.000 0.263 151 E C -0.648 175.930 176.600 -0.036 0.000 0.995 151 E CA 0.191 56.544 56.400 -0.079 0.000 0.915 151 E CB 0.584 30.286 29.700 0.002 0.000 0.951 151 E HN 0.344 nan 8.360 nan 0.000 0.449 152 M N 6.660 126.219 119.600 -0.068 0.000 2.006 152 M HA 0.147 2.237 4.480 -3.985 0.000 0.314 152 M C 0.626 176.992 176.300 0.111 0.000 0.926 152 M CA -0.321 54.978 55.300 -0.002 0.000 0.906 152 M CB 1.088 33.684 32.600 -0.006 0.000 1.422 152 M HN 0.708 nan 8.290 nan 0.000 0.397 153 L N 0.775 122.057 121.223 0.099 0.000 2.079 153 L HA -0.127 1.822 4.340 -3.985 0.000 0.210 153 L C 0.893 177.879 176.870 0.192 0.000 1.081 153 L CA 1.399 56.311 54.840 0.119 0.000 0.752 153 L CB -0.089 42.000 42.059 0.050 0.000 0.896 153 L HN 0.620 nan 8.230 nan 0.000 0.433 154 D N -0.979 119.483 120.400 0.103 0.000 2.453 154 D HA 0.173 2.422 4.640 -3.985 0.000 0.238 154 D C -1.935 174.378 176.300 0.022 0.000 1.088 154 D CA -2.193 51.849 54.000 0.070 0.000 0.854 154 D CB 1.798 42.617 40.800 0.030 0.000 1.076 154 D HN -0.164 nan 8.370 nan 0.000 0.533 155 P HA -0.087 nan 4.420 nan 0.000 0.223 155 P C 0.847 178.125 177.300 -0.036 0.000 1.144 155 P CA 0.850 63.922 63.100 -0.047 0.000 0.783 155 P CB 0.223 31.862 31.700 -0.103 0.000 0.771 156 S N -3.683 112.001 115.700 -0.027 0.000 2.578 156 S HA 0.203 2.282 4.470 -3.985 0.000 0.231 156 S C 0.495 175.077 174.600 -0.030 0.000 0.994 156 S CA -0.364 57.819 58.200 -0.027 0.000 0.956 156 S CB -0.555 62.633 63.200 -0.020 0.000 0.870 156 S HN -0.071 nan 8.310 nan 0.000 0.494 157 N N 1.515 120.196 118.700 -0.032 0.000 2.594 157 N HA 0.204 2.553 4.740 -3.985 0.000 0.280 157 N C 0.305 175.780 175.510 -0.058 0.000 1.156 157 N CA 0.114 53.140 53.050 -0.040 0.000 0.831 157 N CB 1.806 40.277 38.487 -0.026 0.000 1.379 157 N HN 0.129 nan 8.380 nan 0.000 0.536 158 S N 2.192 117.841 115.700 -0.084 0.000 2.555 158 S HA -0.002 2.077 4.470 -3.985 0.000 0.230 158 S C 0.966 175.487 174.600 -0.131 0.000 0.978 158 S CA 0.592 58.711 58.200 -0.135 0.000 0.934 158 S CB -0.068 63.034 63.200 -0.163 0.000 0.766 158 S HN 0.531 nan 8.310 nan 0.000 0.533 159 K N 0.952 121.301 120.400 -0.084 0.000 2.444 159 K HA 0.211 2.140 4.320 -3.985 0.000 0.193 159 K C -0.493 176.074 176.600 -0.054 0.000 1.024 159 K CA 0.033 56.279 56.287 -0.068 0.000 1.077 159 K CB 0.334 32.803 32.500 -0.052 0.000 0.833 159 K HN 0.253 nan 8.250 nan 0.000 0.517 160 V N 2.775 122.660 119.914 -0.047 0.000 2.334 160 V HA 0.143 1.872 4.120 -3.985 0.000 0.267 160 V C -0.491 175.589 176.094 -0.023 0.000 1.040 160 V CA -0.534 61.751 62.300 -0.026 0.000 0.866 160 V CB 0.398 32.217 31.823 -0.008 0.000 1.019 160 V HN 0.280 nan 8.190 nan 0.000 0.468 161 N N 3.573 122.255 118.700 -0.029 0.000 2.831 161 N HA 0.639 2.988 4.740 -3.985 0.000 0.276 161 N C -1.035 174.464 175.510 -0.019 0.000 1.416 161 N CA -0.944 52.075 53.050 -0.052 0.000 0.799 161 N CB 1.793 40.209 38.487 -0.119 0.000 1.554 161 N HN 0.678 nan 8.380 nan 0.000 0.541 162 W N -0.431 120.802 121.300 -0.111 0.000 2.578 162 W HA 0.841 3.210 4.660 -3.819 0.000 0.364 162 W C -0.312 176.170 176.519 -0.062 0.000 1.144 162 W CA -1.020 56.210 57.345 -0.191 0.000 1.242 162 W CB 0.132 29.319 29.460 -0.454 0.000 1.382 162 W HN 0.505 nan 8.180 nan 0.000 0.625 163 G N -0.179 108.800 108.800 0.299 0.000 2.667 163 G HA2 0.352 1.921 3.960 -3.985 0.000 0.310 163 G HA3 0.352 1.921 3.960 -3.985 0.000 0.310 163 G C 0.199 175.398 174.900 0.499 0.000 1.259 163 G CA -0.712 44.611 45.100 0.371 0.000 1.019 163 G HN 0.841 nan 8.290 nan 0.000 0.496 164 W N -0.522 121.040 121.300 0.436 0.000 2.425 164 W HA 0.059 2.319 4.660 -4.000 0.000 0.277 164 W C 0.090 176.794 176.519 0.308 0.000 1.231 164 W CA 0.081 57.644 57.345 0.363 0.000 1.248 164 W CB -0.375 29.264 29.460 0.299 0.000 1.117 164 W HN 0.373 nan 8.180 nan 0.000 0.568 165 Q N 0.898 120.378 119.800 -0.534 0.000 2.260 165 Q HA 0.497 2.446 4.340 -3.985 0.000 0.242 165 Q C 0.549 176.517 176.000 -0.052 0.000 0.932 165 Q CA 0.499 55.953 55.803 -0.583 0.000 0.891 165 Q CB 1.423 29.669 28.738 -0.820 0.000 1.222 165 Q HN 0.210 nan 8.270 nan 0.000 0.453 166 G N 0.524 109.242 108.800 -0.136 0.000 2.660 166 G HA2 -0.179 1.390 3.960 -3.985 0.000 0.247 166 G HA3 -0.179 1.390 3.960 -3.985 0.000 0.247 166 G C -0.887 173.805 174.900 -0.346 0.000 1.328 166 G CA -0.752 44.224 45.100 -0.207 0.000 0.884 166 G HN 0.537 nan 8.290 nan 0.000 0.531 167 T N 0.957 115.161 114.554 -0.584 0.000 2.792 167 T HA 0.693 2.652 4.350 -3.985 0.000 0.280 167 T C -0.769 173.464 174.700 -0.778 0.000 0.990 167 T CA -0.269 61.538 62.100 -0.488 0.000 0.960 167 T CB 1.184 69.893 68.868 -0.265 0.000 0.939 167 T HN 0.707 nan 8.240 nan 0.000 0.439 168 H N 0.901 119.869 119.070 -0.170 0.000 3.013 168 H HA 0.492 2.670 4.556 -3.963 0.000 0.326 168 H C -0.620 174.635 175.328 -0.121 0.000 0.973 168 H CA -0.608 55.208 56.048 -0.386 0.000 1.369 168 H CB 1.323 30.475 29.762 -1.016 0.000 1.598 168 H HN 0.440 nan 8.280 nan 0.000 0.518 169 T N 3.769 118.260 114.554 -0.105 0.000 2.881 169 T HA 0.341 2.300 4.350 -3.985 0.000 0.291 169 T C -0.456 174.010 174.700 -0.391 0.000 0.990 169 T CA -0.692 61.339 62.100 -0.115 0.000 0.976 169 T CB 1.200 69.984 68.868 -0.140 0.000 0.970 169 T HN 0.458 nan 8.240 nan 0.000 0.438 170 M N 3.676 122.909 119.600 -0.612 0.000 2.294 170 M HA 0.525 2.614 4.480 -3.985 0.000 0.335 170 M C -1.241 174.902 176.300 -0.261 0.000 1.079 170 M CA -0.511 54.395 55.300 -0.656 0.000 0.982 170 M CB 0.917 32.831 32.600 -1.144 0.000 1.651 170 M HN 0.373 nan 8.290 nan 0.000 0.437 171 K N 5.533 125.850 120.400 -0.138 0.000 2.324 171 K HA 0.758 2.687 4.320 -3.985 0.000 0.253 171 K C -1.590 175.014 176.600 0.007 0.000 0.932 171 K CA -0.837 55.421 56.287 -0.049 0.000 0.799 171 K CB 2.186 34.668 32.500 -0.031 0.000 1.154 171 K HN 0.632 nan 8.250 nan 0.000 0.425 172 L N -1.433 119.813 121.223 0.038 0.000 2.568 172 L HA 0.663 2.612 4.340 -3.985 0.000 0.257 172 L C -0.697 176.241 176.870 0.113 0.000 1.024 172 L CA -0.726 54.164 54.840 0.083 0.000 0.854 172 L CB 1.851 43.953 42.059 0.070 0.000 1.460 172 L HN 0.602 nan 8.230 nan 0.000 0.409 173 S N -0.993 114.788 115.700 0.135 0.000 2.536 173 S HA 1.049 3.129 4.470 -3.985 0.000 0.298 173 S C -0.267 174.408 174.600 0.125 0.000 1.083 173 S CA -0.048 58.230 58.200 0.130 0.000 0.995 173 S CB 1.613 64.875 63.200 0.103 0.000 1.058 173 S HN 1.593 nan 8.310 nan 0.000 0.488 174 G N 0.605 109.350 108.800 -0.091 0.000 2.548 174 G HA2 0.709 2.278 3.960 -3.985 0.000 0.301 174 G HA3 0.709 2.278 3.960 -3.985 0.000 0.301 174 G C -2.059 172.290 174.900 -0.919 0.000 1.349 174 G CA -0.991 43.936 45.100 -0.289 0.000 0.792 174 G HN 1.052 nan 8.290 nan 0.000 0.481 175 K N -1.091 118.925 120.400 -0.640 0.000 2.546 175 K HA 0.681 2.610 4.320 -3.985 0.000 0.264 175 K C -1.446 175.001 176.600 -0.255 0.000 0.937 175 K CA -0.759 55.192 56.287 -0.561 0.000 0.833 175 K CB 1.887 34.289 32.500 -0.163 0.000 1.378 175 K HN 0.399 nan 8.250 nan 0.000 0.432 176 T N 2.216 116.609 114.554 -0.267 0.000 2.767 176 T HA 0.231 2.190 4.350 -3.985 0.000 0.288 176 T C 0.672 175.271 174.700 -0.168 0.000 0.963 176 T CA -0.647 61.230 62.100 -0.372 0.000 1.019 176 T CB 1.409 69.637 68.868 -1.067 0.000 0.923 176 T HN 0.455 nan 8.240 nan 0.000 0.468 177 V N 2.495 122.376 119.914 -0.055 0.000 3.085 177 V HA 0.240 1.969 4.120 -3.985 0.000 0.245 177 V C 0.634 176.769 176.094 0.068 0.000 1.114 177 V CA 0.570 62.885 62.300 0.026 0.000 1.108 177 V CB 0.173 32.023 31.823 0.046 0.000 0.798 177 V HN 0.797 nan 8.190 nan 0.000 0.471 178 Q N -0.107 119.741 119.800 0.079 0.000 2.320 178 Q HA 0.576 2.525 4.340 -3.985 0.000 0.272 178 Q C -2.044 174.018 176.000 0.104 0.000 1.023 178 Q CA -0.433 55.437 55.803 0.111 0.000 0.855 178 Q CB 2.352 31.180 28.738 0.150 0.000 1.367 178 Q HN 0.330 nan 8.270 nan 0.000 0.406 179 L N 4.184 125.472 121.223 0.109 0.000 2.319 179 L HA 0.715 2.664 4.340 -3.985 0.000 0.267 179 L C -2.094 174.819 176.870 0.070 0.000 1.011 179 L CA -2.022 52.875 54.840 0.096 0.000 0.818 179 L CB 2.023 44.159 42.059 0.129 0.000 1.316 179 L HN 0.631 nan 8.230 nan 0.000 0.432 180 P HA 0.108 nan 4.420 nan 0.000 0.282 180 P C 0.379 177.695 177.300 0.026 0.000 1.287 180 P CA -0.453 62.661 63.100 0.024 0.000 0.792 180 P CB 0.798 32.488 31.700 -0.016 0.000 1.163 181 S N -0.694 115.021 115.700 0.025 0.000 2.400 181 S HA -0.177 1.902 4.470 -3.985 0.000 0.232 181 S C 1.974 176.581 174.600 0.011 0.000 1.025 181 S CA 1.774 59.988 58.200 0.024 0.000 0.993 181 S CB -1.768 61.448 63.200 0.027 0.000 0.808 181 S HN 0.631 nan 8.310 nan 0.000 0.478 182 S N 1.161 116.858 115.700 -0.005 0.000 2.474 182 S HA 0.218 2.297 4.470 -3.985 0.000 0.235 182 S C 1.826 176.413 174.600 -0.021 0.000 0.997 182 S CA 0.957 59.144 58.200 -0.023 0.000 0.949 182 S CB -1.343 61.820 63.200 -0.061 0.000 0.766 182 S HN 1.698 nan 8.310 nan 0.000 0.517 183 G N 0.702 109.501 108.800 -0.001 0.000 2.166 183 G HA2 -0.275 1.294 3.960 -3.985 0.000 0.260 183 G HA3 -0.275 1.294 3.960 -3.985 0.000 0.260 183 G C -0.153 174.759 174.900 0.021 0.000 0.986 183 G CA 0.610 45.723 45.100 0.020 0.000 0.683 183 G HN 0.680 nan 8.290 nan 0.000 0.527 184 K N -0.090 120.300 120.400 -0.017 0.000 2.443 184 K HA 0.724 2.653 4.320 -3.985 0.000 0.252 184 K C 0.106 176.665 176.600 -0.067 0.000 0.933 184 K CA -0.770 55.500 56.287 -0.030 0.000 0.792 184 K CB 2.228 34.673 32.500 -0.091 0.000 1.185 184 K HN 0.512 nan 8.250 nan 0.000 0.425 185 I N -1.070 119.505 120.570 0.009 0.000 3.042 185 I HA 0.588 2.367 4.170 -3.985 0.000 0.310 185 I C -1.037 175.077 176.117 -0.005 0.000 1.117 185 I CA -1.295 59.974 61.300 -0.051 0.000 1.003 185 I CB 1.801 39.799 38.000 -0.003 0.000 1.228 185 I HN 0.472 nan 8.210 nan 0.000 0.443 186 I N 3.720 124.272 120.570 -0.029 0.000 2.339 186 I HA 0.244 2.023 4.170 -3.985 0.000 0.290 186 I C 0.875 177.045 176.117 0.087 0.000 0.994 186 I CA -0.653 60.687 61.300 0.067 0.000 1.191 186 I CB 1.984 40.076 38.000 0.154 0.000 1.343 186 I HN 0.648 nan 8.210 nan 0.000 0.458 187 V N 2.876 122.823 119.914 0.056 0.000 3.661 187 V HA 0.634 2.363 4.120 -3.985 0.000 0.271 187 V C 0.531 176.616 176.094 -0.015 0.000 1.315 187 V CA 0.252 62.553 62.300 0.002 0.000 1.072 187 V CB 0.113 31.948 31.823 0.019 0.000 0.830 187 V HN 0.687 nan 8.190 nan 0.000 0.443 188 A N -0.053 122.786 122.820 0.033 0.000 2.594 188 A HA 0.810 2.739 4.320 -3.985 0.000 0.296 188 A C -1.205 176.441 177.584 0.103 0.000 1.061 188 A CA -0.646 51.426 52.037 0.059 0.000 0.689 188 A CB 1.663 20.695 19.000 0.054 0.000 1.280 188 A HN 0.395 nan 8.150 nan 0.000 0.406 189 Q N 0.345 120.239 119.800 0.156 0.000 2.511 189 Q HA 0.620 2.569 4.340 -3.985 0.000 0.289 189 Q C -1.508 174.612 176.000 0.201 0.000 1.021 189 Q CA -0.724 55.159 55.803 0.133 0.000 0.785 189 Q CB 2.610 31.393 28.738 0.075 0.000 1.472 189 Q HN 0.657 nan 8.270 nan 0.000 0.411 190 I N 1.365 121.966 120.570 0.052 0.000 2.362 190 I HA 0.320 2.099 4.170 -3.985 0.000 0.289 190 I C -0.745 175.219 176.117 -0.254 0.000 0.994 190 I CA -0.483 60.748 61.300 -0.114 0.000 1.158 190 I CB 1.610 39.489 38.000 -0.202 0.000 1.315 190 I HN 0.529 nan 8.210 nan 0.000 0.451 191 N N 3.265 121.658 118.700 -0.512 0.000 2.430 191 N HA 0.512 2.861 4.740 -3.985 0.000 0.292 191 N C -0.010 175.135 175.510 -0.608 0.000 1.051 191 N CA -0.255 52.448 53.050 -0.578 0.000 0.917 191 N CB 1.462 39.451 38.487 -0.829 0.000 1.164 191 N HN 0.731 nan 8.380 nan 0.000 0.484 192 G N 1.865 110.504 108.800 -0.268 0.000 2.539 192 G HA2 0.507 2.076 3.960 -3.985 0.000 0.258 192 G HA3 0.507 2.076 3.960 -3.985 0.000 0.258 192 G C -0.734 174.003 174.900 -0.272 0.000 1.202 192 G CA -0.212 44.722 45.100 -0.276 0.000 0.851 192 G HN 0.609 nan 8.290 nan 0.000 0.556 193 I N 0.553 120.945 120.570 -0.297 0.000 2.775 193 I HA 0.282 2.061 4.170 -3.985 0.000 0.295 193 I C -0.434 175.577 176.117 -0.177 0.000 1.287 193 I CA -1.211 60.008 61.300 -0.134 0.000 1.029 193 I CB 2.042 40.061 38.000 0.032 0.000 1.282 193 I HN 0.315 nan 8.210 nan 0.000 0.426 194 M N 4.095 123.625 119.600 -0.117 0.000 2.226 194 M HA 0.147 2.236 4.480 -3.985 0.000 0.324 194 M C 0.833 177.078 176.300 -0.092 0.000 1.112 194 M CA 0.148 55.383 55.300 -0.108 0.000 1.176 194 M CB -0.062 32.489 32.600 -0.081 0.000 1.430 194 M HN 0.524 nan 8.290 nan 0.000 0.462 195 D N 1.557 121.911 120.400 -0.078 0.000 2.149 195 D HA -0.205 2.044 4.640 -3.985 0.000 0.194 195 D C 1.031 177.301 176.300 -0.050 0.000 1.001 195 D CA 1.900 55.866 54.000 -0.057 0.000 0.849 195 D CB -0.271 40.506 40.800 -0.038 0.000 0.939 195 D HN 0.680 nan 8.370 nan 0.000 0.449 196 D N -1.383 118.989 120.400 -0.047 0.000 2.324 196 D HA 0.141 2.390 4.640 -3.985 0.000 0.235 196 D C 1.475 177.748 176.300 -0.045 0.000 1.095 196 D CA 0.754 54.729 54.000 -0.041 0.000 0.871 196 D CB -0.109 40.669 40.800 -0.037 0.000 0.906 196 D HN 0.269 nan 8.370 nan 0.000 0.522 197 G N -0.470 108.300 108.800 -0.051 0.000 2.199 197 G HA2 -0.289 1.280 3.960 -3.985 0.000 0.254 197 G HA3 -0.289 1.280 3.960 -3.985 0.000 0.254 197 G C 0.534 175.408 174.900 -0.044 0.000 0.982 197 G CA 0.326 45.395 45.100 -0.051 0.000 0.632 197 G HN 0.479 nan 8.290 nan 0.000 0.529 198 T N 1.043 115.570 114.554 -0.045 0.000 2.940 198 T HA 0.328 2.287 4.350 -3.985 0.000 0.309 198 T C 0.659 175.335 174.700 -0.039 0.000 1.056 198 T CA 0.561 62.636 62.100 -0.042 0.000 1.137 198 T CB 0.904 69.744 68.868 -0.046 0.000 0.976 198 T HN 0.564 nan 8.240 nan 0.000 0.547 199 N N 0.702 119.384 118.700 -0.031 0.000 2.453 199 N HA 0.430 2.779 4.740 -3.985 0.000 0.253 199 N C -0.487 174.998 175.510 -0.041 0.000 1.252 199 N CA 0.070 53.107 53.050 -0.022 0.000 0.917 199 N CB 0.363 38.842 38.487 -0.014 0.000 1.117 199 N HN 0.818 nan 8.380 nan 0.000 0.442 200 A N 2.279 125.074 122.820 -0.043 0.000 2.564 200 A HA 0.701 2.630 4.320 -3.985 0.000 0.288 200 A C -2.782 174.784 177.584 -0.029 0.000 1.164 200 A CA -1.225 50.775 52.037 -0.061 0.000 0.712 200 A CB 0.710 19.651 19.000 -0.099 0.000 1.303 200 A HN 0.610 nan 8.150 nan 0.000 0.418 201 P HA 0.336 nan 4.420 nan 0.000 0.272 201 P C -2.635 174.718 177.300 0.088 0.000 1.230 201 P CA -1.008 62.125 63.100 0.055 0.000 0.788 201 P CB -0.163 31.588 31.700 0.084 0.000 0.949 202 P HA 0.048 nan 4.420 nan 0.000 0.275 202 P C 0.137 177.456 177.300 0.031 0.000 1.228 202 P CA -0.159 62.948 63.100 0.011 0.000 0.786 202 P CB 0.797 32.512 31.700 0.026 0.000 0.927 203 L N 4.076 125.226 121.223 -0.121 0.000 2.221 203 L HA 0.165 2.114 4.340 -3.985 0.000 0.202 203 L C 0.247 176.899 176.870 -0.364 0.000 1.074 203 L CA 1.522 56.113 54.840 -0.416 0.000 0.795 203 L CB 0.227 41.824 42.059 -0.770 0.000 0.960 203 L HN 0.096 nan 8.230 nan 0.000 0.458 204 V N 0.741 120.514 119.914 -0.235 0.000 2.588 204 V HA 0.434 2.163 4.120 -3.985 0.000 0.304 204 V C -0.827 175.245 176.094 -0.038 0.000 1.042 204 V CA -0.757 61.459 62.300 -0.140 0.000 0.877 204 V CB 1.727 33.489 31.823 -0.101 0.000 0.996 204 V HN 0.128 nan 8.190 nan 0.000 0.425 205 K N 3.136 123.529 120.400 -0.012 0.000 2.502 205 K HA 0.749 2.678 4.320 -3.985 0.000 0.254 205 K C -0.527 176.098 176.600 0.042 0.000 0.947 205 K CA -0.444 55.868 56.287 0.042 0.000 0.834 205 K CB 2.331 34.868 32.500 0.062 0.000 1.112 205 K HN 0.783 nan 8.250 nan 0.000 0.427 206 A N 3.189 126.041 122.820 0.054 0.000 2.415 206 A HA 0.325 2.254 4.320 -3.985 0.000 0.309 206 A C -0.161 177.459 177.584 0.060 0.000 1.356 206 A CA -0.524 51.539 52.037 0.042 0.000 0.998 206 A CB -0.026 18.981 19.000 0.011 0.000 1.145 206 A HN 0.453 nan 8.150 nan 0.000 0.545 207 V N 3.596 123.551 119.914 0.068 0.000 2.364 207 V HA 0.285 2.014 4.120 -3.985 0.000 0.272 207 V C -0.347 175.801 176.094 0.089 0.000 1.036 207 V CA -0.271 62.071 62.300 0.070 0.000 0.880 207 V CB 0.552 32.408 31.823 0.055 0.000 0.991 207 V HN 0.729 nan 8.190 nan 0.000 0.460 208 F N 4.983 124.914 119.950 -0.031 0.000 2.408 208 F HA 0.592 2.726 4.527 -3.987 0.000 0.344 208 F C 0.222 176.018 175.800 -0.006 0.000 1.112 208 F CA 0.050 58.033 58.000 -0.027 0.000 1.096 208 F CB 1.099 40.080 39.000 -0.033 0.000 1.129 208 F HN 0.508 nan 8.300 nan 0.000 0.486 209 Q N 2.853 122.281 119.800 -0.620 0.000 2.484 209 Q HA 0.195 2.145 4.340 -3.985 0.000 0.285 209 Q C -1.495 174.040 176.000 -0.775 0.000 1.097 209 Q CA -1.279 54.274 55.803 -0.417 0.000 0.802 209 Q CB 1.887 30.497 28.738 -0.214 0.000 1.444 209 Q HN 0.510 nan 8.270 nan 0.000 0.429 210 D N 0.068 120.310 120.400 -0.264 0.000 2.368 210 D HA 0.170 2.419 4.640 -3.985 0.000 0.268 210 D C 0.735 176.930 176.300 -0.176 0.000 1.298 210 D CA 1.966 55.891 54.000 -0.125 0.000 0.938 210 D CB 0.042 40.869 40.800 0.045 0.000 1.101 210 D HN 0.742 nan 8.370 nan 0.000 0.509 211 G N 3.343 112.022 108.800 -0.200 0.000 2.195 211 G HA2 -0.230 1.339 3.960 -3.985 0.000 0.224 211 G HA3 -0.230 1.339 3.960 -3.985 0.000 0.224 211 G C 0.166 174.976 174.900 -0.151 0.000 0.990 211 G CA 0.267 45.296 45.100 -0.118 0.000 0.639 211 G HN 0.705 nan 8.290 nan 0.000 0.514 212 Q N -0.074 119.555 119.800 -0.285 0.000 2.313 212 Q HA 0.581 2.530 4.340 -3.985 0.000 0.260 212 Q C -1.793 174.065 176.000 -0.236 0.000 0.972 212 Q CA -0.951 54.749 55.803 -0.172 0.000 0.886 212 Q CB 1.541 30.203 28.738 -0.126 0.000 1.373 212 Q HN 0.315 nan 8.270 nan 0.000 0.416 213 L N 3.847 125.050 121.223 -0.034 0.000 2.296 213 L HA 0.552 2.502 4.340 -3.985 0.000 0.286 213 L C -1.278 175.738 176.870 0.244 0.000 1.023 213 L CA 0.128 54.994 54.840 0.042 0.000 0.812 213 L CB 1.509 43.575 42.059 0.013 0.000 1.223 213 L HN 0.835 nan 8.230 nan 0.000 0.421 214 D N 5.963 126.479 120.400 0.193 0.000 2.414 214 D HA 0.235 2.484 4.640 -3.985 0.000 0.232 214 D C -0.371 176.007 176.300 0.131 0.000 1.070 214 D CA -0.355 53.761 54.000 0.195 0.000 0.839 214 D CB 0.897 41.837 40.800 0.234 0.000 1.079 214 D HN 0.353 nan 8.370 nan 0.000 0.521 215 M N 3.474 123.176 119.600 0.171 0.000 2.319 215 M HA 0.147 2.236 4.480 -3.985 0.000 0.343 215 M C -0.175 176.121 176.300 -0.006 0.000 1.364 215 M CA -0.085 55.285 55.300 0.116 0.000 1.292 215 M CB 0.520 33.268 32.600 0.246 0.000 1.432 215 M HN 0.305 nan 8.290 nan 0.000 0.448 216 Q N 1.998 121.768 119.800 -0.050 0.000 2.267 216 Q HA 0.503 2.452 4.340 -3.985 0.000 0.255 216 Q C -0.697 175.213 176.000 -0.151 0.000 0.923 216 Q CA -0.381 55.330 55.803 -0.153 0.000 0.925 216 Q CB 1.867 30.523 28.738 -0.136 0.000 1.195 216 Q HN 0.409 nan 8.270 nan 0.000 0.417 217 V N 2.992 122.789 119.914 -0.195 0.000 2.444 217 V HA 0.233 1.962 4.120 -3.985 0.000 0.294 217 V C -0.222 175.767 176.094 -0.176 0.000 1.022 217 V CA -0.953 61.221 62.300 -0.210 0.000 0.850 217 V CB 1.548 33.250 31.823 -0.202 0.000 0.992 217 V HN 0.638 nan 8.190 nan 0.000 0.426 218 K N 3.188 123.496 120.400 -0.155 0.000 2.382 218 K HA 0.173 2.102 4.320 -3.985 0.000 0.275 218 K C 0.968 177.665 176.600 0.161 0.000 1.009 218 K CA 0.415 56.725 56.287 0.039 0.000 0.970 218 K CB 0.757 33.384 32.500 0.211 0.000 0.934 218 K HN 0.706 nan 8.250 nan 0.000 0.479 219 Q N 1.560 121.496 119.800 0.228 0.000 2.226 219 Q HA 0.053 2.002 4.340 -3.985 0.000 0.199 219 Q C -0.283 175.995 176.000 0.463 0.000 0.945 219 Q CA 0.597 56.568 55.803 0.280 0.000 0.861 219 Q CB 0.336 29.155 28.738 0.135 0.000 0.953 219 Q HN 0.523 nan 8.270 nan 0.000 0.490 220 N N 0.548 119.422 118.700 0.291 0.000 2.424 220 N HA 0.047 2.396 4.740 -3.985 0.000 0.271 220 N C 0.323 175.624 175.510 -0.348 0.000 0.985 220 N CA 0.028 53.085 53.050 0.013 0.000 0.921 220 N CB 1.749 40.216 38.487 -0.032 0.000 1.149 220 N HN 0.092 nan 8.380 nan 0.000 0.492 221 S N 0.627 115.673 115.700 -1.091 0.000 2.440 221 S HA -0.204 1.875 4.470 -3.985 0.000 0.238 221 S C 1.038 175.186 174.600 -0.752 0.000 1.010 221 S CA 1.109 58.274 58.200 -1.725 0.000 0.972 221 S CB -0.141 62.072 63.200 -1.646 0.000 0.774 221 S HN 0.632 nan 8.310 nan 0.000 0.501 222 D N 0.476 120.611 120.400 -0.442 0.000 2.349 222 D HA 0.201 2.450 4.640 -3.985 0.000 0.224 222 D C 1.481 177.680 176.300 -0.169 0.000 1.029 222 D CA 0.753 54.599 54.000 -0.257 0.000 0.879 222 D CB -0.580 40.108 40.800 -0.187 0.000 0.906 222 D HN 0.612 nan 8.370 nan 0.000 0.528 223 G N 0.152 108.859 108.800 -0.154 0.000 2.217 223 G HA2 -0.289 1.280 3.960 -3.985 0.000 0.246 223 G HA3 -0.289 1.280 3.960 -3.985 0.000 0.246 223 G C 0.599 175.487 174.900 -0.022 0.000 0.990 223 G CA 0.591 45.658 45.100 -0.056 0.000 0.627 223 G HN 0.800 nan 8.290 nan 0.000 0.522 224 T N -0.817 113.714 114.554 -0.038 0.000 2.766 224 T HA 0.661 2.620 4.350 -3.985 0.000 0.295 224 T C 1.554 176.257 174.700 0.004 0.000 1.024 224 T CA 1.129 63.218 62.100 -0.018 0.000 1.018 224 T CB 1.525 70.376 68.868 -0.029 0.000 1.002 224 T HN 2.386 nan 8.240 nan 0.000 0.532 225 G N 0.930 109.738 108.800 0.013 0.000 2.593 225 G HA2 0.096 1.666 3.960 -3.985 0.000 0.237 225 G HA3 0.096 1.666 3.960 -3.985 0.000 0.237 225 G C 0.016 174.938 174.900 0.037 0.000 1.312 225 G CA 0.283 45.398 45.100 0.025 0.000 0.896 225 G HN 2.102 nan 8.290 nan 0.000 0.574 226 S N -0.875 114.849 115.700 0.041 0.000 2.810 226 S HA 0.793 2.872 4.470 -3.985 0.000 0.315 226 S C -1.127 173.476 174.600 0.004 0.000 1.138 226 S CA -0.173 58.050 58.200 0.039 0.000 0.889 226 S CB 2.492 65.731 63.200 0.064 0.000 1.236 226 S HN 0.862 nan 8.310 nan 0.000 0.548 227 D N 0.381 120.736 120.400 -0.075 0.000 2.228 227 D HA 0.484 2.733 4.640 -3.985 0.000 0.247 227 D C -0.611 175.497 176.300 -0.319 0.000 0.995 227 D CA -0.383 53.494 54.000 -0.205 0.000 0.903 227 D CB 1.933 42.547 40.800 -0.310 0.000 1.205 227 D HN 0.360 nan 8.370 nan 0.000 0.459 228 V N 2.439 122.201 119.914 -0.254 0.000 2.488 228 V HA 0.047 1.777 4.120 -3.985 0.000 0.277 228 V C 0.419 176.276 176.094 -0.395 0.000 1.046 228 V CA -0.239 61.924 62.300 -0.228 0.000 0.986 228 V CB 0.404 32.154 31.823 -0.122 0.000 0.989 228 V HN 0.386 nan 8.190 nan 0.000 0.475 229 H N 4.004 122.950 119.070 -0.206 0.000 2.487 229 H HA 0.393 2.560 4.556 -3.982 0.000 0.333 229 H C -0.549 174.460 175.328 -0.531 0.000 1.114 229 H CA -0.341 55.445 56.048 -0.437 0.000 1.310 229 H CB 1.193 30.570 29.762 -0.641 0.000 1.462 229 H HN 0.637 nan 8.280 nan 0.000 0.516 230 N N 2.655 121.078 118.700 -0.462 0.000 2.617 230 N HA 0.165 2.514 4.740 -3.985 0.000 0.263 230 N C -1.367 173.833 175.510 -0.517 0.000 1.074 230 N CA -0.403 52.397 53.050 -0.416 0.000 0.841 230 N CB 1.045 39.444 38.487 -0.146 0.000 1.221 230 N HN 0.425 nan 8.380 nan 0.000 0.529 231 Y N 1.113 121.203 120.300 -0.350 0.000 2.308 231 Y HA 0.474 2.634 4.550 -3.982 0.000 0.329 231 Y C -0.378 175.194 175.900 -0.547 0.000 1.111 231 Y CA -0.706 57.227 58.100 -0.279 0.000 1.179 231 Y CB 0.873 39.240 38.460 -0.155 0.000 1.201 231 Y HN 0.333 nan 8.280 nan 0.000 0.483 232 F N 1.598 121.634 119.950 0.143 0.000 2.513 232 F HA 0.329 2.464 4.527 -3.986 0.000 0.358 232 F C 0.138 175.961 175.800 0.039 0.000 1.118 232 F CA -1.015 57.028 58.000 0.071 0.000 1.037 232 F CB 1.324 40.349 39.000 0.041 0.000 1.276 232 F HN 0.383 nan 8.300 nan 0.000 0.446 233 T N -1.612 113.028 114.554 0.143 0.000 2.936 233 T HA 0.662 2.622 4.350 -3.985 0.000 0.282 233 T C 0.981 175.722 174.700 0.068 0.000 1.003 233 T CA -0.060 62.077 62.100 0.062 0.000 1.005 233 T CB 1.657 70.523 68.868 -0.003 0.000 1.097 233 T HN 1.163 nan 8.240 nan 0.000 0.532 234 G N 0.507 109.327 108.800 0.034 0.000 2.176 234 G HA2 -0.191 1.378 3.960 -3.985 0.000 0.253 234 G HA3 -0.191 1.378 3.960 -3.985 0.000 0.253 234 G C 0.085 175.032 174.900 0.078 0.000 0.979 234 G CA 0.023 45.152 45.100 0.049 0.000 0.641 234 G HN 0.928 nan 8.290 nan 0.000 0.530 235 I N 1.796 122.417 120.570 0.085 0.000 2.281 235 I HA 0.259 2.038 4.170 -3.985 0.000 0.293 235 I C 0.730 176.950 176.117 0.171 0.000 1.085 235 I CA -0.306 61.091 61.300 0.161 0.000 1.257 235 I CB 0.693 38.814 38.000 0.201 0.000 1.430 235 I HN -0.010 nan 8.210 nan 0.000 0.489 236 K N 4.877 125.404 120.400 0.212 0.000 2.118 236 K HA 0.349 2.278 4.320 -3.985 0.000 0.264 236 K C -0.340 176.496 176.600 0.393 0.000 1.000 236 K CA -1.057 55.357 56.287 0.212 0.000 0.929 236 K CB 1.342 33.928 32.500 0.143 0.000 1.021 236 K HN 0.302 nan 8.250 nan 0.000 0.463 237 L N 1.707 123.173 121.223 0.405 0.000 2.640 237 L HA -0.088 1.861 4.340 -3.985 0.000 0.280 237 L C 1.112 178.112 176.870 0.217 0.000 1.229 237 L CA 2.108 57.179 54.840 0.385 0.000 0.919 237 L CB -0.343 41.880 42.059 0.273 0.000 1.168 237 L HN 0.977 nan 8.230 nan 0.000 0.496 238 G N 2.267 111.156 108.800 0.149 0.000 2.199 238 G HA2 -0.250 1.319 3.960 -3.985 0.000 0.254 238 G HA3 -0.250 1.319 3.960 -3.985 0.000 0.254 238 G C 0.135 175.082 174.900 0.079 0.000 0.982 238 G CA 0.142 45.295 45.100 0.088 0.000 0.632 238 G HN 0.661 nan 8.290 nan 0.000 0.529 239 D N 0.446 120.929 120.400 0.138 0.000 2.350 239 D HA 0.432 2.682 4.640 -3.985 0.000 0.249 239 D C 0.677 177.002 176.300 0.041 0.000 1.119 239 D CA -0.386 53.686 54.000 0.119 0.000 0.886 239 D CB 1.404 42.325 40.800 0.201 0.000 1.195 239 D HN 0.271 nan 8.370 nan 0.000 0.437 240 L N 4.232 125.433 121.223 -0.037 0.000 2.410 240 L HA 0.153 2.102 4.340 -3.985 0.000 0.273 240 L C -0.948 175.904 176.870 -0.031 0.000 1.152 240 L CA 0.073 54.825 54.840 -0.147 0.000 0.855 240 L CB -0.330 41.628 42.059 -0.169 0.000 1.129 240 L HN 0.281 nan 8.230 nan 0.000 0.463 241 Y N 2.320 122.659 120.300 0.065 0.000 2.499 241 Y HA 0.647 2.805 4.550 -3.986 0.000 0.347 241 Y C -0.447 175.474 175.900 0.035 0.000 0.987 241 Y CA -1.400 56.731 58.100 0.052 0.000 1.044 241 Y CB 0.977 39.480 38.460 0.072 0.000 1.245 241 Y HN 0.489 nan 8.280 nan 0.000 0.461 242 N N 3.825 122.650 118.700 0.208 0.000 2.408 242 N HA 0.421 2.770 4.740 -3.985 0.000 0.280 242 N C -1.423 174.142 175.510 0.092 0.000 1.002 242 N CA -0.505 52.622 53.050 0.127 0.000 0.907 242 N CB 2.086 40.610 38.487 0.061 0.000 1.161 242 N HN 0.900 nan 8.380 nan 0.000 0.488 243 M N 1.011 120.659 119.600 0.080 0.000 2.518 243 M HA 0.380 2.469 4.480 -3.985 0.000 0.300 243 M C -1.400 174.893 176.300 -0.012 0.000 1.175 243 M CA -0.557 54.742 55.300 -0.002 0.000 0.890 243 M CB 2.563 35.173 32.600 0.016 0.000 1.710 243 M HN 0.464 nan 8.290 nan 0.000 0.453 244 E N 4.152 124.331 120.200 -0.036 0.000 2.292 244 E HA 0.570 2.529 4.350 -3.985 0.000 0.272 244 E C -1.954 174.653 176.600 0.012 0.000 0.881 244 E CA -0.620 55.768 56.400 -0.020 0.000 0.754 244 E CB 2.051 31.743 29.700 -0.014 0.000 1.201 244 E HN 0.762 nan 8.360 nan 0.000 0.425 245 I N 4.195 124.784 120.570 0.031 0.000 2.410 245 I HA 0.453 2.232 4.170 -3.985 0.000 0.286 245 I C -0.339 175.910 176.117 0.220 0.000 1.009 245 I CA -0.685 60.702 61.300 0.145 0.000 1.111 245 I CB 1.697 39.833 38.000 0.227 0.000 1.262 245 I HN 0.363 nan 8.210 nan 0.000 0.443 246 R N 5.665 126.318 120.500 0.256 0.000 2.621 246 R HA 0.737 2.687 4.340 -3.985 0.000 0.292 246 R C -1.938 174.583 176.300 0.368 0.000 0.969 246 R CA -0.522 55.742 56.100 0.275 0.000 0.887 246 R CB 2.297 32.689 30.300 0.154 0.000 1.180 246 R HN 0.417 nan 8.270 nan 0.000 0.450 247 V N 3.410 123.530 119.914 0.345 0.000 2.417 247 V HA 0.431 2.161 4.120 -3.985 0.000 0.291 247 V C -0.513 175.782 176.094 0.335 0.000 1.024 247 V CA -0.414 62.127 62.300 0.403 0.000 0.861 247 V CB 1.904 34.006 31.823 0.465 0.000 0.985 247 V HN 0.837 nan 8.190 nan 0.000 0.436 248 T N 3.335 118.107 114.554 0.365 0.000 2.847 248 T HA 0.335 2.294 4.350 -3.985 0.000 0.291 248 T C -0.411 174.421 174.700 0.220 0.000 0.998 248 T CA -0.349 61.883 62.100 0.220 0.000 0.967 248 T CB 0.738 69.692 68.868 0.144 0.000 0.954 248 T HN 0.770 nan 8.240 nan 0.000 0.441 249 D N 2.493 122.984 120.400 0.152 0.000 2.708 249 D HA -0.173 2.076 4.640 -3.985 0.000 0.236 249 D C 1.271 177.767 176.300 0.327 0.000 1.146 249 D CA 2.050 56.140 54.000 0.151 0.000 0.662 249 D CB -1.286 39.568 40.800 0.089 0.000 1.059 249 D HN 1.252 nan 8.370 nan 0.000 0.428 250 G N -2.265 106.692 108.800 0.263 0.000 2.148 250 G HA2 -0.266 1.303 3.960 -3.985 0.000 0.254 250 G HA3 -0.266 1.303 3.960 -3.985 0.000 0.254 250 G C 0.289 174.654 174.900 -0.892 0.000 0.981 250 G CA 0.258 45.148 45.100 -0.351 0.000 0.670 250 G HN 0.658 nan 8.290 nan 0.000 0.528 251 V N 0.579 120.344 119.914 -0.248 0.000 2.459 251 V HA 0.805 2.534 4.120 -3.985 0.000 0.295 251 V C 0.588 176.682 176.094 0.001 0.000 1.029 251 V CA -0.356 61.816 62.300 -0.214 0.000 0.874 251 V CB 1.663 33.353 31.823 -0.221 0.000 0.985 251 V HN 1.088 nan 8.190 nan 0.000 0.438 252 A N 4.779 127.633 122.820 0.058 0.000 2.290 252 A HA 0.793 2.722 4.320 -3.985 0.000 0.310 252 A C -1.230 176.215 177.584 -0.232 0.000 1.202 252 A CA -0.289 51.782 52.037 0.056 0.000 0.837 252 A CB 0.268 19.278 19.000 0.017 0.000 1.139 252 A HN 0.735 nan 8.150 nan 0.000 0.509 253 Y N 1.690 122.057 120.300 0.112 0.000 2.328 253 Y HA 0.465 2.623 4.550 -3.988 0.000 0.336 253 Y C 0.192 176.142 175.900 0.083 0.000 0.960 253 Y CA -0.867 57.286 58.100 0.088 0.000 1.134 253 Y CB 1.961 40.464 38.460 0.072 0.000 1.166 253 Y HN 0.585 nan 8.280 nan 0.000 0.464 254 V N 0.270 120.310 119.914 0.209 0.000 2.448 254 V HA 0.832 2.561 4.120 -3.985 0.000 0.295 254 V C -0.481 175.706 176.094 0.155 0.000 1.025 254 V CA -0.464 61.929 62.300 0.156 0.000 0.859 254 V CB 1.395 33.305 31.823 0.145 0.000 0.988 254 V HN 0.742 nan 8.190 nan 0.000 0.431 255 T N 7.018 121.570 114.554 -0.003 0.000 2.881 255 T HA 0.703 2.662 4.350 -3.985 0.000 0.290 255 T C -0.585 173.913 174.700 -0.337 0.000 1.000 255 T CA -0.471 61.582 62.100 -0.078 0.000 0.978 255 T CB 1.572 70.443 68.868 0.005 0.000 0.997 255 T HN 0.665 nan 8.240 nan 0.000 0.443 256 M N 3.153 122.417 119.600 -0.560 0.000 2.259 256 M HA 0.413 2.502 4.480 -3.985 0.000 0.304 256 M C -0.042 176.169 176.300 -0.148 0.000 1.019 256 M CA -0.718 54.291 55.300 -0.485 0.000 0.922 256 M CB 1.266 33.326 32.600 -0.901 0.000 1.600 256 M HN 0.638 nan 8.290 nan 0.000 0.433 257 N N 2.163 120.839 118.700 -0.039 0.000 2.714 257 N HA -0.190 2.159 4.740 -3.985 0.000 0.252 257 N C 0.887 176.423 175.510 0.043 0.000 1.014 257 N CA 1.452 54.520 53.050 0.029 0.000 0.735 257 N CB -1.272 37.253 38.487 0.063 0.000 0.924 257 N HN 1.212 nan 8.380 nan 0.000 0.540 258 G N -0.839 107.980 108.800 0.031 0.000 2.184 258 G HA2 -0.327 1.243 3.960 -3.985 0.000 0.264 258 G HA3 -0.327 1.243 3.960 -3.985 0.000 0.264 258 G C -0.346 174.603 174.900 0.081 0.000 0.975 258 G CA 0.462 45.590 45.100 0.046 0.000 0.642 258 G HN 0.668 nan 8.290 nan 0.000 0.536 259 D N 1.340 121.815 120.400 0.125 0.000 2.396 259 D HA 0.540 2.789 4.640 -3.985 0.000 0.225 259 D C 0.075 176.547 176.300 0.285 0.000 1.121 259 D CA 0.091 54.225 54.000 0.222 0.000 0.853 259 D CB 0.539 41.546 40.800 0.344 0.000 1.043 259 D HN 0.025 nan 8.370 nan 0.000 0.500 260 T N 5.020 119.704 114.554 0.216 0.000 2.795 260 T HA 0.488 2.447 4.350 -3.985 0.000 0.282 260 T C 0.126 174.962 174.700 0.227 0.000 0.980 260 T CA -0.822 61.412 62.100 0.224 0.000 1.012 260 T CB 1.091 70.063 68.868 0.172 0.000 0.936 260 T HN 0.173 nan 8.240 nan 0.000 0.457 261 R N 1.748 122.399 120.500 0.251 0.000 2.832 261 R HA 0.765 2.714 4.340 -3.985 0.000 0.271 261 R C -0.350 176.014 176.300 0.107 0.000 0.996 261 R CA -0.882 55.307 56.100 0.148 0.000 0.977 261 R CB 1.716 32.077 30.300 0.101 0.000 1.168 261 R HN 0.760 nan 8.270 nan 0.000 0.482 262 S N -0.763 114.944 115.700 0.011 0.000 2.542 262 S HA 0.689 2.768 4.470 -3.985 0.000 0.293 262 S C -0.713 173.799 174.600 -0.148 0.000 1.089 262 S CA -0.733 57.374 58.200 -0.155 0.000 0.961 262 S CB 1.978 65.025 63.200 -0.256 0.000 1.062 262 S HN 0.205 nan 8.310 nan 0.000 0.483 263 V N 2.275 122.077 119.914 -0.187 0.000 2.482 263 V HA 0.379 2.108 4.120 -3.985 0.000 0.295 263 V C -0.964 175.080 176.094 -0.083 0.000 1.026 263 V CA -0.636 61.604 62.300 -0.099 0.000 0.856 263 V CB 1.676 33.460 31.823 -0.064 0.000 1.001 263 V HN 1.040 nan 8.190 nan 0.000 0.424 264 D N 4.254 124.596 120.400 -0.096 0.000 2.470 264 D HA 0.128 2.377 4.640 -3.985 0.000 0.226 264 D C 0.997 177.228 176.300 -0.114 0.000 1.196 264 D CA -0.390 53.525 54.000 -0.141 0.000 0.979 264 D CB 0.353 41.087 40.800 -0.110 0.000 1.059 264 D HN 0.473 nan 8.370 nan 0.000 0.515 265 F N 1.268 121.108 119.950 -0.182 0.000 2.206 265 F HA -0.050 2.095 4.527 -3.971 0.000 0.298 265 F C 1.685 177.446 175.800 -0.064 0.000 1.090 265 F CA 0.123 57.984 58.000 -0.231 0.000 1.323 265 F CB -0.708 37.932 39.000 -0.600 0.000 1.028 265 F HN 0.077 nan 8.300 nan 0.000 0.492 266 V N 1.514 121.067 119.914 -0.601 0.000 2.515 266 V HA -0.103 1.626 4.120 -3.985 0.000 0.250 266 V C 2.768 178.750 176.094 -0.187 0.000 1.058 266 V CA 1.734 63.829 62.300 -0.342 0.000 1.064 266 V CB -1.305 30.139 31.823 -0.630 0.000 0.675 266 V HN 0.613 nan 8.190 nan 0.000 0.461 267 G N 0.014 108.710 108.800 -0.175 0.000 2.422 267 G HA2 -0.311 1.258 3.960 -3.985 0.000 0.218 267 G HA3 -0.311 1.258 3.960 -3.985 0.000 0.218 267 G C 1.596 176.479 174.900 -0.030 0.000 1.146 267 G CA 1.168 46.213 45.100 -0.091 0.000 0.769 267 G HN 0.478 nan 8.290 nan 0.000 0.547 268 K N 0.176 120.586 120.400 0.017 0.000 2.062 268 K HA -0.037 1.892 4.320 -3.985 0.000 0.205 268 K C -0.109 176.545 176.600 0.089 0.000 1.051 268 K CA 1.120 57.447 56.287 0.067 0.000 0.941 268 K CB 0.125 32.692 32.500 0.113 0.000 0.719 268 K HN 0.229 nan 8.250 nan 0.000 0.440 269 D N -1.442 119.052 120.400 0.158 0.000 2.478 269 D HA 0.313 2.562 4.640 -3.985 0.000 0.240 269 D C -0.100 176.247 176.300 0.079 0.000 1.364 269 D CA 0.082 54.145 54.000 0.105 0.000 0.987 269 D CB 1.453 42.310 40.800 0.096 0.000 1.328 269 D HN 0.087 nan 8.370 nan 0.000 0.584 270 A N 2.648 125.443 122.820 -0.042 0.000 2.070 270 A HA 0.055 1.984 4.320 -3.985 0.000 0.220 270 A C 2.029 179.540 177.584 -0.121 0.000 1.159 270 A CA 1.669 53.636 52.037 -0.118 0.000 0.656 270 A CB -0.560 18.364 19.000 -0.127 0.000 0.800 270 A HN 0.614 nan 8.150 nan 0.000 0.453 271 G N -1.260 107.461 108.800 -0.133 0.000 2.485 271 G HA2 -0.275 1.294 3.960 -3.985 0.000 0.221 271 G HA3 -0.275 1.294 3.960 -3.985 0.000 0.221 271 G C 1.249 176.058 174.900 -0.153 0.000 1.115 271 G CA 0.882 45.870 45.100 -0.187 0.000 0.751 271 G HN 0.742 nan 8.290 nan 0.000 0.567 272 W N 0.859 122.156 121.300 -0.005 0.000 2.387 272 W HA 0.051 2.300 4.660 -4.019 0.000 0.272 272 W C 2.554 179.120 176.519 0.080 0.000 1.224 272 W CA 0.818 58.243 57.345 0.133 0.000 1.210 272 W CB 0.139 29.805 29.460 0.344 0.000 1.125 272 W HN 0.167 nan 8.180 nan 0.000 0.572 273 K N 0.049 120.447 120.400 -0.004 0.000 2.283 273 K HA -0.117 1.812 4.320 -3.985 0.000 0.202 273 K C 1.247 177.919 176.600 0.119 0.000 1.048 273 K CA 0.960 57.130 56.287 -0.195 0.000 0.948 273 K CB -0.260 31.952 32.500 -0.481 0.000 0.742 273 K HN 0.167 nan 8.250 nan 0.000 0.458 274 N N 0.390 119.121 118.700 0.052 0.000 2.422 274 N HA 0.042 2.391 4.740 -3.985 0.000 0.181 274 N C 0.360 175.864 175.510 -0.010 0.000 1.080 274 N CA 0.508 53.572 53.050 0.022 0.000 0.893 274 N CB 0.297 38.760 38.487 -0.040 0.000 0.973 274 N HN 0.108 nan 8.380 nan 0.000 0.456 275 L N 0.656 121.870 121.223 -0.015 0.000 2.352 275 L HA 0.357 2.306 4.340 -3.985 0.000 0.269 275 L C 0.495 177.114 176.870 -0.420 0.000 1.034 275 L CA -0.761 53.949 54.840 -0.217 0.000 0.806 275 L CB 1.159 43.065 42.059 -0.255 0.000 1.244 275 L HN -0.214 nan 8.230 nan 0.000 0.447 276 K N 0.839 120.895 120.400 -0.573 0.000 2.245 276 K HA 0.614 2.543 4.320 -3.985 0.000 0.234 276 K C -1.342 174.546 176.600 -1.186 0.000 1.021 276 K CA -0.655 55.241 56.287 -0.652 0.000 0.898 276 K CB 1.758 34.082 32.500 -0.293 0.000 1.163 276 K HN 0.285 nan 8.250 nan 0.000 0.459 277 Y N -0.841 119.046 120.300 -0.688 0.000 2.588 277 Y HA 0.416 2.569 4.550 -3.995 0.000 0.343 277 Y C -0.705 174.351 175.900 -1.407 0.000 1.065 277 Y CA -1.175 56.220 58.100 -1.174 0.000 1.038 277 Y CB 1.804 39.209 38.460 -1.760 0.000 1.297 277 Y HN 0.552 nan 8.280 nan 0.000 0.467 278 Y N -1.488 118.342 120.300 -0.784 0.000 2.571 278 Y HA 0.735 5.164 4.550 -0.202 0.000 0.341 278 Y C -1.651 174.209 175.900 -0.067 0.000 1.076 278 Y CA -2.410 55.460 58.100 -0.384 0.000 1.029 278 Y CB 0.907 39.283 38.460 -0.140 0.000 1.308 278 Y HN 0.453 nan 8.280 nan 0.000 0.461 279 F N 2.285 122.557 119.950 0.536 0.000 2.382 279 F HA 0.562 2.723 4.527 -3.943 0.000 0.331 279 F C 0.285 176.415 175.800 0.551 0.000 1.121 279 F CA -0.276 58.009 58.000 0.475 0.000 1.183 279 F CB 1.127 40.442 39.000 0.525 0.000 1.207 279 F HN 0.355 nan 8.300 nan 0.000 0.555 280 K N 1.566 122.347 120.400 0.634 0.000 2.477 280 K HA 0.873 2.802 4.320 -3.985 0.000 0.255 280 K C -1.538 175.195 176.600 0.221 0.000 0.952 280 K CA -1.200 55.358 56.287 0.452 0.000 0.826 280 K CB 2.480 35.124 32.500 0.240 0.000 1.331 280 K HN 0.625 nan 8.250 nan 0.000 0.437 281 A N 0.694 123.485 122.820 -0.049 0.000 2.517 281 A HA 0.848 2.777 4.320 -3.985 0.000 0.297 281 A C -0.329 176.913 177.584 -0.570 0.000 1.050 281 A CA 0.133 52.021 52.037 -0.249 0.000 0.694 281 A CB 1.789 20.615 19.000 -0.291 0.000 1.277 281 A HN 0.871 nan 8.150 nan 0.000 0.400 282 G N 0.927 109.328 108.800 -0.665 0.000 2.374 282 G HA2 0.341 1.910 3.960 -3.985 0.000 0.067 282 G HA3 0.341 1.910 3.960 -3.985 0.000 0.067 282 G C -1.328 173.216 174.900 -0.593 0.000 1.023 282 G CA 0.229 44.542 45.100 -1.310 0.000 1.131 282 G HN 1.516 nan 8.290 nan 0.000 0.436 283 N N -0.058 118.435 118.700 -0.345 0.000 2.621 283 N HA 0.492 2.841 4.740 -3.985 0.000 0.271 283 N C -1.964 173.593 175.510 0.079 0.000 1.181 283 N CA -0.617 52.395 53.050 -0.062 0.000 0.805 283 N CB 0.972 39.485 38.487 0.044 0.000 1.351 283 N HN 0.412 nan 8.380 nan 0.000 0.539 284 F N 4.815 124.714 119.950 -0.086 0.000 2.332 284 F HA 0.479 2.632 4.527 -3.958 0.000 0.368 284 F C -0.891 174.870 175.800 -0.065 0.000 1.110 284 F CA -1.159 56.810 58.000 -0.051 0.000 1.087 284 F CB 0.600 39.582 39.000 -0.031 0.000 1.235 284 F HN 0.071 nan 8.300 nan 0.000 0.470 285 V N 6.726 126.592 119.914 -0.079 0.000 2.408 285 V HA 0.161 1.890 4.120 -3.985 0.000 0.267 285 V C 0.312 176.113 176.094 -0.487 0.000 1.047 285 V CA -0.560 61.614 62.300 -0.209 0.000 0.937 285 V CB 0.917 32.681 31.823 -0.100 0.000 0.999 285 V HN 0.494 nan 8.190 nan 0.000 0.472 286 Q N 3.708 123.142 119.800 -0.610 0.000 3.170 286 Q HA 0.319 2.268 4.340 -3.985 0.000 0.346 286 Q C -0.445 175.118 176.000 -0.728 0.000 1.333 286 Q CA 0.118 55.283 55.803 -1.064 0.000 0.958 286 Q CB -0.026 28.246 28.738 -0.777 0.000 1.600 286 Q HN 0.792 nan 8.270 nan 0.000 0.482 287 D N 0.627 120.774 120.400 -0.421 0.000 2.804 287 D HA 0.034 2.283 4.640 -3.985 0.000 0.209 287 D C -0.394 175.997 176.300 0.151 0.000 1.314 287 D CA -0.222 53.754 54.000 -0.040 0.000 0.894 287 D CB 0.676 41.443 40.800 -0.055 0.000 1.615 287 D HN 0.372 nan 8.370 nan 0.000 0.571 288 N N 0.996 119.844 118.700 0.248 0.000 2.235 288 N HA 0.042 2.391 4.740 -3.985 0.000 0.231 288 N C 0.077 175.636 175.510 0.082 0.000 1.177 288 N CA -0.499 52.644 53.050 0.155 0.000 0.874 288 N CB 0.632 39.189 38.487 0.117 0.000 1.097 288 N HN 0.304 nan 8.380 nan 0.000 0.518 289 T N -1.057 113.541 114.554 0.074 0.000 2.918 289 T HA 0.065 2.024 4.350 -3.985 0.000 0.302 289 T C 1.645 176.372 174.700 0.045 0.000 1.045 289 T CA -0.136 61.995 62.100 0.052 0.000 1.114 289 T CB 1.638 70.534 68.868 0.047 0.000 0.965 289 T HN 0.211 nan 8.240 nan 0.000 0.540 290 S N 1.379 117.103 115.700 0.040 0.000 2.400 290 S HA -0.148 1.931 4.470 -3.985 0.000 0.232 290 S C 1.732 176.360 174.600 0.046 0.000 1.025 290 S CA 1.204 59.429 58.200 0.042 0.000 0.993 290 S CB -1.232 61.989 63.200 0.036 0.000 0.808 290 S HN 1.047 nan 8.310 nan 0.000 0.478 291 T N -2.769 111.811 114.554 0.043 0.000 3.134 291 T HA 0.467 2.426 4.350 -3.985 0.000 0.260 291 T C 1.531 176.259 174.700 0.047 0.000 1.027 291 T CA 0.214 62.340 62.100 0.045 0.000 0.913 291 T CB 0.277 69.168 68.868 0.038 0.000 1.046 291 T HN 0.383 nan 8.240 nan 0.000 0.553 292 G N 0.823 109.650 108.800 0.045 0.000 2.598 292 G HA2 0.411 1.980 3.960 -3.985 0.000 0.215 292 G HA3 0.411 1.980 3.960 -3.985 0.000 0.215 292 G C 1.112 176.039 174.900 0.046 0.000 1.131 292 G CA 0.161 45.285 45.100 0.040 0.000 0.785 292 G HN 1.055 nan 8.290 nan 0.000 0.539 293 G N -0.594 108.243 108.800 0.062 0.000 2.520 293 G HA2 0.118 1.687 3.960 -3.985 0.000 0.248 293 G HA3 0.118 1.687 3.960 -3.985 0.000 0.248 293 G C 0.175 175.121 174.900 0.077 0.000 1.161 293 G CA 0.584 45.738 45.100 0.090 0.000 0.946 293 G HN 1.915 nan 8.290 nan 0.000 0.565 294 S N -1.290 114.461 115.700 0.085 0.000 2.636 294 S HA 0.964 3.043 4.470 -3.985 0.000 0.268 294 S C -0.492 174.128 174.600 0.034 0.000 1.159 294 S CA 0.462 58.659 58.200 -0.005 0.000 0.815 294 S CB 1.277 64.538 63.200 0.101 0.000 1.130 294 S HN 2.658 nan 8.310 nan 0.000 0.471 295 A N 0.305 123.089 122.820 -0.061 0.000 2.469 295 A HA 0.918 2.847 4.320 -3.985 0.000 0.299 295 A C -1.292 176.360 177.584 0.113 0.000 1.098 295 A CA -0.908 51.153 52.037 0.039 0.000 0.737 295 A CB 1.095 20.094 19.000 -0.001 0.000 1.312 295 A HN 0.925 nan 8.150 nan 0.000 0.414 296 I N 0.517 121.183 120.570 0.161 0.000 2.534 296 I HA 0.616 2.395 4.170 -3.985 0.000 0.288 296 I C 0.056 176.227 176.117 0.091 0.000 1.077 296 I CA -0.417 61.004 61.300 0.203 0.000 1.051 296 I CB 2.131 40.282 38.000 0.252 0.000 1.234 296 I HN 0.816 nan 8.210 nan 0.000 0.425 297 A N 6.113 128.992 122.820 0.099 0.000 2.413 297 A HA 0.878 2.808 4.320 -3.985 0.000 0.307 297 A C -1.059 176.561 177.584 0.060 0.000 1.087 297 A CA -0.708 51.349 52.037 0.033 0.000 0.750 297 A CB 1.856 20.857 19.000 0.002 0.000 1.296 297 A HN 0.676 nan 8.150 nan 0.000 0.423 298 K N 0.646 121.008 120.400 -0.064 0.000 2.375 298 K HA 0.715 2.644 4.320 -3.985 0.000 0.249 298 K C -1.650 174.789 176.600 -0.270 0.000 0.942 298 K CA -0.429 55.724 56.287 -0.223 0.000 0.806 298 K CB 2.388 34.646 32.500 -0.403 0.000 1.227 298 K HN 0.577 nan 8.250 nan 0.000 0.430 299 L N 2.707 123.731 121.223 -0.332 0.000 2.385 299 L HA 0.397 2.346 4.340 -3.985 0.000 0.273 299 L C -0.354 176.341 176.870 -0.291 0.000 0.990 299 L CA -0.547 54.149 54.840 -0.240 0.000 0.821 299 L CB 1.275 43.251 42.059 -0.139 0.000 1.279 299 L HN 0.749 nan 8.230 nan 0.000 0.412 300 Y N 0.149 120.522 120.300 0.121 0.000 2.507 300 Y HA 0.148 2.308 4.550 -3.984 0.000 0.263 300 Y C 1.062 177.135 175.900 0.288 0.000 1.093 300 Y CA -0.169 58.049 58.100 0.198 0.000 1.285 300 Y CB 0.967 39.450 38.460 0.038 0.000 1.115 300 Y HN 0.622 nan 8.280 nan 0.000 0.533 301 S N -0.229 115.724 115.700 0.421 0.000 2.565 301 S HA 0.668 2.747 4.470 -3.985 0.000 0.269 301 S C -1.716 173.078 174.600 0.324 0.000 1.153 301 S CA -0.789 57.626 58.200 0.359 0.000 0.835 301 S CB 2.276 65.579 63.200 0.172 0.000 1.122 301 S HN 0.059 nan 8.310 nan 0.000 0.462 302 L N 1.305 122.720 121.223 0.319 0.000 2.666 302 L HA 0.783 2.732 4.340 -3.985 0.000 0.259 302 L C -1.319 175.698 176.870 0.245 0.000 0.919 302 L CA 0.369 55.353 54.840 0.239 0.000 0.927 302 L CB 1.821 43.995 42.059 0.193 0.000 1.423 302 L HN 1.335 nan 8.230 nan 0.000 0.426 303 S N 3.076 118.877 115.700 0.168 0.000 2.541 303 S HA 0.945 3.024 4.470 -3.985 0.000 0.271 303 S C -1.503 173.121 174.600 0.040 0.000 1.133 303 S CA -0.730 57.549 58.200 0.131 0.000 0.876 303 S CB 1.997 65.234 63.200 0.063 0.000 1.105 303 S HN 0.550 nan 8.310 nan 0.000 0.470 304 V N 2.347 122.266 119.914 0.008 0.000 2.638 304 V HA 0.868 2.597 4.120 -3.985 0.000 0.306 304 V C -0.343 175.627 176.094 -0.207 0.000 1.052 304 V CA -0.304 61.898 62.300 -0.163 0.000 0.885 304 V CB 1.756 33.504 31.823 -0.125 0.000 0.999 304 V HN 1.222 nan 8.190 nan 0.000 0.424 305 S N 3.724 119.223 115.700 -0.335 0.000 2.541 305 S HA 0.733 2.812 4.470 -3.985 0.000 0.280 305 S C -1.288 173.010 174.600 -0.504 0.000 1.112 305 S CA -0.791 57.230 58.200 -0.298 0.000 0.925 305 S CB 2.027 65.124 63.200 -0.171 0.000 1.067 305 S HN 0.726 nan 8.310 nan 0.000 0.479 306 H N 0.799 119.793 119.070 -0.126 0.000 2.600 306 H HA 0.765 2.925 4.556 -3.993 0.000 0.357 306 H C -0.824 174.399 175.328 -0.176 0.000 1.106 306 H CA -0.523 55.420 56.048 -0.175 0.000 1.193 306 H CB 1.952 31.661 29.762 -0.089 0.000 1.594 306 H HN 0.752 nan 8.280 nan 0.000 0.526 307 S N 1.314 116.928 115.700 -0.144 0.000 2.541 307 S HA 0.167 2.246 4.470 -3.985 0.000 0.271 307 S C 0.016 174.514 174.600 -0.170 0.000 1.133 307 S CA -0.835 57.282 58.200 -0.138 0.000 0.876 307 S CB 0.880 63.991 63.200 -0.149 0.000 1.105 307 S HN 0.795 nan 8.310 nan 0.000 0.470 308 N N 3.163 121.789 118.700 -0.124 0.000 2.205 308 N HA 0.252 2.601 4.740 -3.985 0.000 0.201 308 N C -0.334 175.098 175.510 -0.131 0.000 1.128 308 N CA -0.175 52.803 53.050 -0.120 0.000 0.867 308 N CB 0.448 38.887 38.487 -0.080 0.000 0.996 308 N HN 0.404 nan 8.380 nan 0.000 0.503 309 L N 0.624 121.753 121.223 -0.157 0.000 2.596 309 L HA 0.452 2.401 4.340 -3.985 0.000 0.265 309 L C -1.641 175.057 176.870 -0.287 0.000 0.962 309 L CA 0.002 54.715 54.840 -0.212 0.000 0.891 309 L CB 1.852 43.784 42.059 -0.211 0.000 1.248 309 L HN -0.026 nan 8.230 nan 0.000 0.410 310 E N 3.428 123.468 120.200 -0.268 0.000 2.204 310 E HA 0.452 2.411 4.350 -3.985 0.000 0.276 310 E C -0.750 175.677 176.600 -0.289 0.000 0.974 310 E CA -0.628 55.627 56.400 -0.240 0.000 0.815 310 E CB 1.855 31.464 29.700 -0.151 0.000 1.119 310 E HN 0.514 nan 8.360 nan 0.000 0.393 311 H N 0.727 119.778 119.070 -0.032 0.000 2.496 311 H HA 0.140 2.305 4.556 -3.984 0.000 0.342 311 H C 0.493 175.830 175.328 0.014 0.000 1.170 311 H CA -0.397 55.650 56.048 -0.001 0.000 1.274 311 H CB 1.114 30.873 29.762 -0.005 0.000 1.538 311 H HN 0.545 nan 8.280 nan 0.000 0.542 312 H N 0.000 119.131 119.070 0.102 0.000 2.539 312 H HA 0.000 2.165 4.556 -3.985 0.000 0.296 312 H CA 0.000 56.071 56.048 0.039 0.000 1.023 312 H CB 0.000 29.778 29.762 0.027 0.000 1.292 312 H HN 0.000 nan 8.280 nan 0.000 0.496