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 1yym_1_G DATA FIRST_RESID 83 DATA SEQUENCE EVKLENVTEN FNMWKNNMVE QMHEDIISLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNDKK DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSTQLLLN GSLAEEEIVI RSENFTNNAK DATA SEQUENCE TIIVQLNESV VINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE LSKTQWENTL EQIAIKLKEQ FGNNKTIIFN PSSGGDPEIV THSFNcGGEF DATA SEQUENCE FYcNSTQLFT WNDXXXXXXX XXXXXXXXXR NITLPcRIKQ IINMWQEVGK DATA SEQUENCE AMYAPPIRGQ IRcSSNITGL LLTRDGGKDT NGTEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKIE 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 83 E HA 0.000 nan 4.350 nan 0.000 0.291 83 E C 0.000 176.600 176.600 -0.000 0.000 1.382 83 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 83 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 84 V N 2.184 122.098 119.914 -0.001 0.000 2.673 84 V HA 0.103 4.223 4.120 -0.001 0.000 0.303 84 V C -0.023 176.071 176.094 -0.000 0.000 1.046 84 V CA 0.676 62.976 62.300 -0.001 0.000 1.126 84 V CB 1.032 32.854 31.823 -0.001 0.000 0.934 84 V HN 0.132 nan 8.190 nan 0.000 0.487 85 K N 4.938 125.338 120.400 -0.000 0.000 2.203 85 K HA 0.534 4.854 4.320 -0.001 0.000 0.251 85 K C -0.964 175.636 176.600 0.000 0.000 0.944 85 K CA -0.951 55.336 56.287 0.000 0.000 0.829 85 K CB 1.649 34.149 32.500 0.001 0.000 1.125 85 K HN 0.624 nan 8.250 nan 0.000 0.430 86 L N 2.878 124.101 121.223 0.000 0.000 2.331 86 L HA 0.318 4.657 4.340 -0.001 0.000 0.278 86 L C -0.654 176.217 176.870 0.001 0.000 1.106 86 L CA 0.635 55.475 54.840 -0.000 0.000 0.824 86 L CB 0.883 42.942 42.059 -0.001 0.000 1.142 86 L HN 0.782 nan 8.230 nan 0.000 0.443 87 E N 3.481 123.682 120.200 0.001 0.000 2.356 87 E HA 0.335 4.684 4.350 -0.001 0.000 0.275 87 E C -1.290 175.312 176.600 0.003 0.000 0.904 87 E CA -0.923 55.478 56.400 0.002 0.000 0.757 87 E CB 1.288 30.990 29.700 0.004 0.000 1.232 87 E HN 0.635 nan 8.360 nan 0.000 0.442 88 N N 1.750 120.452 118.700 0.004 0.000 2.488 88 N HA 0.102 4.841 4.740 -0.001 0.000 0.274 88 N C -0.743 174.773 175.510 0.009 0.000 1.111 88 N CA -0.155 52.898 53.050 0.005 0.000 0.974 88 N CB 1.767 40.255 38.487 0.003 0.000 1.089 88 N HN 0.280 nan 8.380 nan 0.000 0.465 89 V N 3.818 123.739 119.914 0.011 0.000 2.403 89 V HA 0.030 4.149 4.120 -0.001 0.000 0.265 89 V C 0.610 176.720 176.094 0.027 0.000 1.034 89 V CA -0.137 62.172 62.300 0.014 0.000 1.036 89 V CB -0.581 31.248 31.823 0.010 0.000 1.032 89 V HN 0.778 nan 8.190 nan 0.000 0.478 90 T N 4.487 119.060 114.554 0.030 0.000 2.899 90 T HA 0.558 4.907 4.350 -0.001 0.000 0.295 90 T C -0.428 174.309 174.700 0.063 0.000 1.033 90 T CA -0.645 61.484 62.100 0.050 0.000 1.084 90 T CB 1.461 70.356 68.868 0.045 0.000 0.979 90 T HN 0.714 nan 8.240 nan 0.000 0.532 91 E N 1.616 121.887 120.200 0.118 0.000 2.343 91 E HA 0.333 4.683 4.350 -0.001 0.000 0.278 91 E C -1.004 175.722 176.600 0.211 0.000 0.910 91 E CA -0.855 55.603 56.400 0.098 0.000 0.757 91 E CB 2.041 31.758 29.700 0.028 0.000 1.218 91 E HN 0.638 nan 8.360 nan 0.000 0.435 92 N N 1.665 120.427 118.700 0.104 0.000 2.421 92 N HA 0.432 5.171 4.740 -0.001 0.000 0.285 92 N C -0.833 174.777 175.510 0.166 0.000 1.027 92 N CA -0.140 53.042 53.050 0.219 0.000 0.918 92 N CB 0.806 39.373 38.487 0.135 0.000 1.152 92 N HN 0.194 nan 8.380 nan 0.000 0.485 93 F N 0.619 120.680 119.950 0.184 0.000 2.541 93 F HA 0.429 4.955 4.527 -0.001 0.000 0.331 93 F C 0.782 176.687 175.800 0.175 0.000 1.057 93 F CA -0.947 57.177 58.000 0.206 0.000 0.975 93 F CB 1.086 40.305 39.000 0.365 0.000 1.246 93 F HN 0.275 nan 8.300 nan 0.000 0.484 94 N N 1.808 120.696 118.700 0.313 0.000 2.732 94 N HA 0.110 4.849 4.740 -0.001 0.000 0.247 94 N C 0.250 175.828 175.510 0.115 0.000 1.305 94 N CA -0.181 52.995 53.050 0.210 0.000 0.762 94 N CB 0.748 39.345 38.487 0.182 0.000 1.361 94 N HN 0.739 nan 8.380 nan 0.000 0.545 95 M N -0.550 119.030 119.600 -0.034 0.000 2.435 95 M HA 0.062 4.541 4.480 -0.001 0.000 0.262 95 M C 0.257 176.323 176.300 -0.390 0.000 1.065 95 M CA 1.280 56.437 55.300 -0.238 0.000 1.076 95 M CB -0.246 32.089 32.600 -0.441 0.000 1.403 95 M HN 0.301 nan 8.290 nan 0.000 0.454 96 W N 1.812 123.152 121.300 0.066 0.000 3.139 96 W HA 0.192 4.851 4.660 -0.001 0.000 0.260 96 W C 0.434 176.976 176.519 0.038 0.000 1.312 96 W CA -0.127 57.237 57.345 0.033 0.000 1.606 96 W CB 0.298 29.758 29.460 -0.000 0.000 1.118 96 W HN 0.107 nan 8.180 nan 0.000 0.675 97 K N 0.872 121.381 120.400 0.182 0.000 3.309 97 K HA 0.101 4.421 4.320 -0.001 0.000 0.187 97 K C -0.565 176.086 176.600 0.084 0.000 1.085 97 K CA -0.312 56.052 56.287 0.128 0.000 0.867 97 K CB 0.140 32.715 32.500 0.124 0.000 0.846 97 K HN -0.249 nan 8.250 nan 0.000 0.522 98 N N 1.055 119.796 118.700 0.068 0.000 2.501 98 N HA 0.128 4.867 4.740 -0.001 0.000 0.245 98 N C 0.303 175.831 175.510 0.029 0.000 0.974 98 N CA -0.209 52.872 53.050 0.051 0.000 0.941 98 N CB 0.981 39.505 38.487 0.062 0.000 1.122 98 N HN 0.073 nan 8.380 nan 0.000 0.507 99 N N 2.998 121.706 118.700 0.013 0.000 2.133 99 N HA -0.199 4.540 4.740 -0.001 0.000 0.193 99 N C 1.427 176.907 175.510 -0.050 0.000 1.012 99 N CA 1.816 54.859 53.050 -0.011 0.000 0.871 99 N CB -0.041 38.431 38.487 -0.025 0.000 1.011 99 N HN 0.636 nan 8.380 nan 0.000 0.435 100 M N -0.802 118.753 119.600 -0.076 0.000 2.106 100 M HA -0.184 4.295 4.480 -0.001 0.000 0.259 100 M C 1.841 178.041 176.300 -0.167 0.000 1.068 100 M CA 1.116 56.306 55.300 -0.184 0.000 1.100 100 M CB -0.337 32.167 32.600 -0.160 0.000 1.351 100 M HN 0.020 nan 8.290 nan 0.000 0.404 101 V N 0.170 120.071 119.914 -0.023 0.000 2.407 101 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 101 V C 2.364 178.539 176.094 0.134 0.000 1.055 101 V CA 1.675 64.030 62.300 0.091 0.000 1.049 101 V CB -0.693 31.206 31.823 0.127 0.000 0.662 101 V HN 0.415 nan 8.190 nan 0.000 0.455 102 E N -0.249 119.998 120.200 0.077 0.000 2.107 102 E HA -0.202 4.147 4.350 -0.001 0.000 0.191 102 E C 2.184 178.837 176.600 0.088 0.000 0.982 102 E CA 1.092 57.562 56.400 0.116 0.000 0.809 102 E CB -0.278 29.467 29.700 0.074 0.000 0.756 102 E HN 0.612 nan 8.360 nan 0.000 0.459 103 Q N 0.804 120.583 119.800 -0.034 0.000 2.050 103 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 103 Q C 2.148 178.089 176.000 -0.098 0.000 0.980 103 Q CA 1.608 57.358 55.803 -0.088 0.000 0.840 103 Q CB -0.340 28.273 28.738 -0.208 0.000 0.898 103 Q HN 0.284 nan 8.270 nan 0.000 0.424 104 M N -1.071 118.393 119.600 -0.227 0.000 2.086 104 M HA -0.235 4.245 4.480 -0.001 0.000 0.261 104 M C 1.944 178.125 176.300 -0.199 0.000 1.067 104 M CA 2.181 57.343 55.300 -0.231 0.000 1.116 104 M CB -0.325 32.045 32.600 -0.383 0.000 1.348 104 M HN 0.461 nan 8.290 nan 0.000 0.407 105 H N 0.597 119.592 119.070 -0.125 0.000 2.289 105 H HA -0.178 4.377 4.556 -0.001 0.000 0.296 105 H C 1.805 177.227 175.328 0.157 0.000 1.091 105 H CA 2.401 58.567 56.048 0.196 0.000 1.274 105 H CB -0.088 29.925 29.762 0.418 0.000 1.364 105 H HN 0.394 nan 8.280 nan 0.000 0.490 106 E N 0.134 120.400 120.200 0.111 0.000 2.204 106 E HA -0.125 4.224 4.350 -0.001 0.000 0.195 106 E C 1.724 178.333 176.600 0.014 0.000 0.990 106 E CA 1.054 57.470 56.400 0.028 0.000 0.821 106 E CB -0.103 29.628 29.700 0.053 0.000 0.750 106 E HN 0.643 nan 8.360 nan 0.000 0.477 107 D N 0.344 120.759 120.400 0.026 0.000 2.120 107 D HA -0.066 4.574 4.640 -0.001 0.000 0.202 107 D C 1.998 178.326 176.300 0.048 0.000 0.972 107 D CA 0.357 54.384 54.000 0.045 0.000 0.837 107 D CB -0.096 40.762 40.800 0.097 0.000 0.989 107 D HN 0.103 nan 8.370 nan 0.000 0.469 108 I N 1.225 121.798 120.570 0.004 0.000 2.208 108 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 108 I C 2.490 178.749 176.117 0.236 0.000 1.097 108 I CA 0.826 62.189 61.300 0.104 0.000 1.363 108 I CB -0.923 37.069 38.000 -0.013 0.000 1.051 108 I HN 0.056 nan 8.210 nan 0.000 0.413 109 I N 0.311 120.940 120.570 0.099 0.000 2.226 109 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 109 I C 2.622 178.789 176.117 0.083 0.000 1.100 109 I CA 1.111 62.388 61.300 -0.039 0.000 1.374 109 I CB -0.292 37.570 38.000 -0.230 0.000 1.057 109 I HN 0.153 nan 8.210 nan 0.000 0.413 110 S N 0.879 116.625 115.700 0.078 0.000 2.348 110 S HA -0.155 4.314 4.470 -0.001 0.000 0.221 110 S C 1.902 176.587 174.600 0.142 0.000 1.033 110 S CA 1.285 59.535 58.200 0.085 0.000 1.010 110 S CB -0.310 62.924 63.200 0.057 0.000 0.891 110 S HN 0.183 nan 8.310 nan 0.000 0.442 111 L N 0.024 121.359 121.223 0.186 0.000 2.013 111 L HA -0.119 4.220 4.340 -0.001 0.000 0.212 111 L C 2.081 179.118 176.870 0.279 0.000 1.073 111 L CA 1.550 56.515 54.840 0.208 0.000 0.753 111 L CB -1.192 41.008 42.059 0.235 0.000 0.890 111 L HN 0.399 nan 8.230 nan 0.000 0.432 112 W N -0.118 121.255 121.300 0.121 0.000 2.379 112 W HA -0.166 4.493 4.660 -0.001 0.000 0.307 112 W C 2.550 179.135 176.519 0.110 0.000 1.200 112 W CA 1.292 58.734 57.345 0.162 0.000 1.297 112 W CB -0.766 28.846 29.460 0.253 0.000 1.140 112 W HN 0.173 nan 8.180 nan 0.000 0.507 113 D N -0.357 120.217 120.400 0.289 0.000 2.309 113 D HA -0.162 4.478 4.640 -0.001 0.000 0.212 113 D C 1.949 178.313 176.300 0.106 0.000 0.968 113 D CA 1.354 55.447 54.000 0.154 0.000 0.882 113 D CB -0.062 40.789 40.800 0.084 0.000 0.918 113 D HN 0.479 nan 8.370 nan 0.000 0.503 114 Q N -2.109 117.753 119.800 0.105 0.000 2.353 114 Q HA 0.207 4.546 4.340 -0.001 0.000 0.240 114 Q C 1.193 177.219 176.000 0.043 0.000 0.868 114 Q CA 0.125 55.964 55.803 0.061 0.000 0.944 114 Q CB 0.482 29.250 28.738 0.049 0.000 1.104 114 Q HN -0.064 nan 8.270 nan 0.000 0.531 115 S N 0.222 115.948 115.700 0.043 0.000 2.603 115 S HA 0.258 4.727 4.470 -0.001 0.000 0.232 115 S C -0.130 174.443 174.600 -0.045 0.000 1.016 115 S CA -0.263 57.932 58.200 -0.008 0.000 0.976 115 S CB 0.666 63.847 63.200 -0.031 0.000 0.921 115 S HN 0.282 nan 8.310 nan 0.000 0.516 116 L N 2.624 123.845 121.223 -0.004 0.000 2.481 116 L HA 0.401 4.740 4.340 -0.001 0.000 0.263 116 L C -1.235 175.790 176.870 0.259 0.000 1.537 116 L CA -0.048 54.808 54.840 0.026 0.000 0.741 116 L CB 0.265 42.125 42.059 -0.332 0.000 0.974 116 L HN -0.136 nan 8.230 nan 0.000 0.519 117 K N 2.128 122.623 120.400 0.158 0.000 2.249 117 K HA 0.534 4.854 4.320 -0.001 0.000 0.280 117 K C -2.441 174.083 176.600 -0.127 0.000 1.033 117 K CA -1.649 54.678 56.287 0.068 0.000 0.946 117 K CB 0.476 32.986 32.500 0.017 0.000 1.005 117 K HN 0.184 nan 8.250 nan 0.000 0.469 118 P HA 0.106 nan 4.420 nan 0.000 0.276 118 P C 0.075 177.127 177.300 -0.414 0.000 1.244 118 P CA -0.565 61.946 63.100 -0.982 0.000 0.801 118 P CB 0.627 31.780 31.700 -0.912 0.000 1.006 119 c N 0.054 118.453 118.600 -0.335 0.000 2.464 119 c HA 0.115 4.684 4.570 -0.001 0.000 0.278 119 c C 0.904 174.915 174.090 -0.133 0.000 1.375 119 c CA 0.227 56.461 56.329 -0.159 0.000 1.761 119 c CB -0.531 41.920 42.510 -0.098 0.000 1.944 119 c HN 0.304 nan 8.230 nan 0.000 0.509 120 V N 0.624 120.442 119.914 -0.161 0.000 2.808 120 V HA 0.435 4.555 4.120 -0.001 0.000 0.308 120 V C -0.721 175.301 176.094 -0.120 0.000 1.099 120 V CA -0.688 61.546 62.300 -0.111 0.000 0.920 120 V CB 2.093 33.870 31.823 -0.077 0.000 1.014 120 V HN 0.280 nan 8.190 nan 0.000 0.425 121 K N 4.443 124.791 120.400 -0.086 0.000 2.471 121 K HA 0.756 5.076 4.320 -0.001 0.000 0.252 121 K C -1.858 174.715 176.600 -0.045 0.000 0.938 121 K CA -0.631 55.614 56.287 -0.069 0.000 0.796 121 K CB 1.722 34.183 32.500 -0.066 0.000 1.161 121 K HN 0.667 nan 8.250 nan 0.000 0.425 122 L N 4.165 125.367 121.223 -0.035 0.000 2.333 122 L HA 0.547 4.886 4.340 -0.001 0.000 0.280 122 L C -0.555 176.303 176.870 -0.020 0.000 1.004 122 L CA -0.808 54.017 54.840 -0.025 0.000 0.820 122 L CB 1.832 43.878 42.059 -0.022 0.000 1.247 122 L HN 0.864 nan 8.230 nan 0.000 0.416 123 T N 0.410 114.953 114.554 -0.018 0.000 2.916 123 T HA 0.534 4.884 4.350 -0.001 0.000 0.305 123 T C -2.975 171.719 174.700 -0.011 0.000 1.119 123 T CA -2.266 59.825 62.100 -0.015 0.000 1.008 123 T CB 2.161 71.017 68.868 -0.019 0.000 1.129 123 T HN 0.126 nan 8.240 nan 0.000 0.480 124 P HA 0.360 nan 4.420 nan 0.000 0.271 124 P C -1.056 176.241 177.300 -0.005 0.000 1.226 124 P CA -0.571 62.526 63.100 -0.005 0.000 0.765 124 P CB 0.335 32.034 31.700 -0.002 0.000 0.835 125 L N 6.344 127.564 121.223 -0.005 0.000 2.295 125 L HA 0.409 4.748 4.340 -0.001 0.000 0.281 125 L C -1.002 175.866 176.870 -0.003 0.000 1.018 125 L CA -0.420 54.417 54.840 -0.005 0.000 0.841 125 L CB -0.137 41.919 42.059 -0.006 0.000 1.218 125 L HN 0.409 nan 8.230 nan 0.000 0.424 126 c N 3.370 121.969 118.600 -0.002 0.000 2.595 126 c HA 0.883 5.452 4.570 -0.001 0.000 0.338 126 c C 0.152 174.242 174.090 0.000 0.000 1.219 126 c CA -1.042 55.287 56.329 -0.000 0.000 1.811 126 c CB 1.527 44.038 42.510 0.001 0.000 2.313 126 c HN 0.697 nan 8.230 nan 0.000 0.499 127 V N 0.041 119.956 119.914 0.000 0.000 2.667 127 V HA 0.802 4.921 4.120 -0.001 0.000 0.308 127 V C 1.005 177.100 176.094 0.002 0.000 1.048 127 V CA 0.254 62.555 62.300 0.001 0.000 0.928 127 V CB 0.840 32.663 31.823 0.000 0.000 1.004 127 V HN 1.124 nan 8.190 nan 0.000 0.444 128 G N 1.884 110.685 108.800 0.002 0.000 2.606 128 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.223 128 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.223 128 G C 0.894 175.795 174.900 0.003 0.000 1.106 128 G CA 1.173 46.275 45.100 0.003 0.000 0.745 128 G HN 1.602 nan 8.290 nan 0.000 0.597 195 S N -0.092 115.609 115.700 0.001 0.000 2.580 195 S HA 0.657 5.127 4.470 -0.001 0.000 0.274 195 S C 0.051 174.651 174.600 0.000 0.000 1.329 195 S CA -0.331 57.869 58.200 0.000 0.000 1.036 195 S CB 1.579 64.779 63.200 -0.000 0.000 0.919 195 S HN 0.504 nan 8.310 nan 0.000 0.515 196 c N 2.281 120.881 118.600 -0.000 0.000 2.889 196 c HA 0.789 5.358 4.570 -0.001 0.000 0.307 196 c C -0.255 173.834 174.090 -0.002 0.000 1.251 196 c CA -0.846 55.483 56.329 -0.001 0.000 1.593 196 c CB 1.523 44.033 42.510 -0.000 0.000 2.104 196 c HN 1.008 nan 8.230 nan 0.000 0.476 197 N N -0.493 118.205 118.700 -0.003 0.000 2.284 197 N HA 0.565 5.305 4.740 -0.001 0.000 0.289 197 N C -1.180 174.327 175.510 -0.006 0.000 1.179 197 N CA -0.383 52.664 53.050 -0.004 0.000 0.774 197 N CB 1.473 39.957 38.487 -0.005 0.000 1.548 197 N HN 0.615 nan 8.380 nan 0.000 0.473 198 T N 0.285 114.835 114.554 -0.007 0.000 2.794 198 T HA 0.260 4.609 4.350 -0.001 0.000 0.296 198 T C 0.193 174.887 174.700 -0.011 0.000 0.949 198 T CA -0.034 62.061 62.100 -0.009 0.000 1.101 198 T CB 0.406 69.268 68.868 -0.010 0.000 0.905 198 T HN 0.303 nan 8.240 nan 0.000 0.516 199 S N 2.621 118.314 115.700 -0.012 0.000 2.525 199 S HA 0.523 4.993 4.470 -0.001 0.000 0.278 199 S C -0.409 174.180 174.600 -0.018 0.000 1.234 199 S CA -0.709 57.483 58.200 -0.014 0.000 1.058 199 S CB 0.876 64.068 63.200 -0.014 0.000 0.983 199 S HN 0.562 nan 8.310 nan 0.000 0.495 200 V N 7.199 127.101 119.914 -0.019 0.000 2.409 200 V HA 0.609 4.729 4.120 -0.001 0.000 0.291 200 V C -1.010 175.068 176.094 -0.026 0.000 1.020 200 V CA -0.706 61.579 62.300 -0.024 0.000 0.848 200 V CB 1.203 33.012 31.823 -0.022 0.000 0.990 200 V HN 0.910 nan 8.190 nan 0.000 0.430 201 I N 5.995 126.545 120.570 -0.033 0.000 2.389 201 I HA 0.435 4.605 4.170 -0.001 0.000 0.288 201 I C -0.198 175.892 176.117 -0.045 0.000 0.999 201 I CA -0.253 61.025 61.300 -0.035 0.000 1.129 201 I CB 2.182 40.160 38.000 -0.036 0.000 1.288 201 I HN 0.492 nan 8.210 nan 0.000 0.444 202 T N 6.433 120.964 114.554 -0.039 0.000 2.779 202 T HA 0.514 4.863 4.350 -0.001 0.000 0.280 202 T C -0.554 174.122 174.700 -0.041 0.000 0.987 202 T CA -0.699 61.375 62.100 -0.044 0.000 0.966 202 T CB 1.294 70.141 68.868 -0.035 0.000 0.933 202 T HN 0.669 nan 8.240 nan 0.000 0.442 203 Q N 1.283 121.054 119.800 -0.050 0.000 2.511 203 Q HA 0.762 5.102 4.340 -0.001 0.000 0.289 203 Q C -1.235 174.741 176.000 -0.040 0.000 1.021 203 Q CA -1.471 54.308 55.803 -0.040 0.000 0.785 203 Q CB 1.669 30.384 28.738 -0.038 0.000 1.472 203 Q HN 0.617 nan 8.270 nan 0.000 0.411 204 A N 0.646 123.450 122.820 -0.027 0.000 2.524 204 A HA 0.342 4.662 4.320 -0.001 0.000 0.250 204 A C 0.470 178.041 177.584 -0.021 0.000 1.078 204 A CA 0.020 52.045 52.037 -0.020 0.000 0.761 204 A CB -0.715 18.278 19.000 -0.012 0.000 1.012 204 A HN 0.910 nan 8.150 nan 0.000 0.500 205 c N 2.413 121.002 118.600 -0.018 0.000 3.276 205 c HA 0.510 5.080 4.570 -0.001 0.000 0.226 205 c C -1.933 172.171 174.090 0.023 0.000 1.502 205 c CA -2.144 54.181 56.329 -0.007 0.000 1.488 205 c CB -0.868 41.618 42.510 -0.040 0.000 2.014 205 c HN 0.746 nan 8.230 nan 0.000 0.492 206 P HA 0.022 nan 4.420 nan 0.000 0.262 206 P C -0.264 177.055 177.300 0.032 0.000 1.182 206 P CA 0.908 64.020 63.100 0.019 0.000 0.761 206 P CB 0.823 32.529 31.700 0.009 0.000 0.795 207 K N 2.689 123.107 120.400 0.031 0.000 2.349 207 K HA 0.238 4.558 4.320 -0.001 0.000 0.289 207 K C -0.583 176.023 176.600 0.010 0.000 1.064 207 K CA -0.397 55.910 56.287 0.033 0.000 0.947 207 K CB 0.503 33.022 32.500 0.032 0.000 1.007 207 K HN 0.307 nan 8.250 nan 0.000 0.478 208 V N 3.703 123.615 119.914 -0.003 0.000 2.444 208 V HA 0.275 4.394 4.120 -0.001 0.000 0.294 208 V C -0.419 175.653 176.094 -0.037 0.000 1.022 208 V CA -0.633 61.655 62.300 -0.021 0.000 0.850 208 V CB 1.728 33.534 31.823 -0.029 0.000 0.992 208 V HN 0.792 nan 8.190 nan 0.000 0.426 209 S N 5.880 121.563 115.700 -0.028 0.000 2.405 209 S HA 0.701 5.170 4.470 -0.001 0.000 0.291 209 S C -0.410 174.167 174.600 -0.040 0.000 1.137 209 S CA -0.138 58.043 58.200 -0.031 0.000 1.061 209 S CB 0.318 63.508 63.200 -0.017 0.000 1.001 209 S HN 1.488 nan 8.310 nan 0.000 0.507 210 F N 1.338 121.254 119.950 -0.056 0.000 2.443 210 F HA 0.720 5.247 4.527 -0.001 0.000 0.335 210 F C 0.237 176.008 175.800 -0.048 0.000 1.104 210 F CA -1.528 56.437 58.000 -0.059 0.000 1.013 210 F CB 0.405 39.353 39.000 -0.087 0.000 1.136 210 F HN 0.812 nan 8.300 nan 0.000 0.470 211 E N 2.541 122.718 120.200 -0.039 0.000 2.222 211 E HA 0.452 4.801 4.350 -0.001 0.000 0.272 211 E C -2.655 173.926 176.600 -0.032 0.000 0.982 211 E CA -1.585 54.796 56.400 -0.032 0.000 0.842 211 E CB 1.489 31.172 29.700 -0.027 0.000 1.144 211 E HN 0.570 nan 8.360 nan 0.000 0.397 212 P HA 0.064 nan 4.420 nan 0.000 0.267 212 P C -0.923 176.360 177.300 -0.028 0.000 1.209 212 P CA 0.085 63.174 63.100 -0.019 0.000 0.763 212 P CB 0.354 32.048 31.700 -0.010 0.000 0.816 213 I N 5.627 126.177 120.570 -0.034 0.000 2.307 213 I HA 0.242 4.411 4.170 -0.001 0.000 0.289 213 I C -2.075 174.002 176.117 -0.067 0.000 1.021 213 I CA -2.903 58.366 61.300 -0.051 0.000 1.224 213 I CB 0.611 38.578 38.000 -0.055 0.000 1.376 213 I HN 0.149 nan 8.210 nan 0.000 0.470 214 P HA 0.302 nan 4.420 nan 0.000 0.271 214 P C -0.523 176.672 177.300 -0.176 0.000 1.220 214 P CA -0.034 63.005 63.100 -0.103 0.000 0.768 214 P CB 0.678 32.322 31.700 -0.093 0.000 0.848 215 I N -0.505 119.949 120.570 -0.194 0.000 3.264 215 I HA 0.769 4.938 4.170 -0.001 0.000 0.315 215 I C -0.678 175.292 176.117 -0.245 0.000 1.154 215 I CA -0.868 60.265 61.300 -0.279 0.000 0.962 215 I CB 2.229 40.077 38.000 -0.252 0.000 1.265 215 I HN 0.572 nan 8.210 nan 0.000 0.463 216 H N -0.695 118.183 119.070 -0.320 0.000 3.014 216 H HA 0.545 5.100 4.556 -0.001 0.000 0.337 216 H C -2.100 172.950 175.328 -0.464 0.000 1.320 216 H CA -0.996 54.857 56.048 -0.325 0.000 1.128 216 H CB 1.130 30.769 29.762 -0.205 0.000 1.862 216 H HN 0.625 nan 8.280 nan 0.000 0.536 217 Y N 0.604 120.830 120.300 -0.123 0.000 2.330 217 Y HA 0.450 4.999 4.550 -0.001 0.000 0.336 217 Y C -0.102 175.627 175.900 -0.286 0.000 1.036 217 Y CA -0.352 57.641 58.100 -0.180 0.000 1.125 217 Y CB 1.577 39.922 38.460 -0.192 0.000 1.194 217 Y HN 0.597 nan 8.280 nan 0.000 0.469 218 c N 2.049 120.581 118.600 -0.113 0.000 2.529 218 c HA 0.817 5.386 4.570 -0.001 0.000 0.329 218 c C 0.223 174.277 174.090 -0.059 0.000 1.194 218 c CA -1.293 54.941 56.329 -0.158 0.000 1.779 218 c CB 0.988 43.376 42.510 -0.203 0.000 2.322 218 c HN 0.928 nan 8.230 nan 0.000 0.500 219 A N 3.073 125.865 122.820 -0.045 0.000 2.454 219 A HA 0.580 4.899 4.320 -0.001 0.000 0.260 219 A C -2.322 175.279 177.584 0.028 0.000 1.106 219 A CA -0.458 51.585 52.037 0.011 0.000 0.780 219 A CB -0.510 18.514 19.000 0.041 0.000 1.044 219 A HN 0.733 nan 8.150 nan 0.000 0.498 220 P HA 0.423 nan 4.420 nan 0.000 0.276 220 P C -0.087 177.301 177.300 0.146 0.000 1.252 220 P CA -0.316 62.816 63.100 0.054 0.000 0.802 220 P CB 0.690 32.377 31.700 -0.023 0.000 1.035 221 A N 1.039 123.929 122.820 0.117 0.000 2.531 221 A HA 0.408 4.728 4.320 -0.001 0.000 0.236 221 A C 1.479 179.179 177.584 0.193 0.000 1.062 221 A CA 0.854 52.960 52.037 0.114 0.000 0.760 221 A CB -1.516 17.527 19.000 0.073 0.000 0.995 221 A HN 0.895 nan 8.150 nan 0.000 0.501 222 G N 0.232 109.089 108.800 0.095 0.000 2.199 222 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.254 222 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.254 222 G C -0.027 174.727 174.900 -0.243 0.000 0.982 222 G CA 0.610 45.689 45.100 -0.036 0.000 0.632 222 G HN 0.825 nan 8.290 nan 0.000 0.529 223 F N 0.632 120.576 119.950 -0.010 0.000 2.611 223 F HA 0.856 5.382 4.527 -0.001 0.000 0.324 223 F C 0.385 176.178 175.800 -0.013 0.000 1.061 223 F CA -0.437 57.556 58.000 -0.013 0.000 0.954 223 F CB 2.250 41.242 39.000 -0.013 0.000 1.301 223 F HN 0.450 nan 8.300 nan 0.000 0.482 224 A N 1.424 124.345 122.820 0.169 0.000 2.475 224 A HA 0.826 5.145 4.320 -0.001 0.000 0.301 224 A C -1.418 176.223 177.584 0.096 0.000 1.059 224 A CA -0.591 51.502 52.037 0.093 0.000 0.710 224 A CB 1.173 20.198 19.000 0.042 0.000 1.288 224 A HN 0.660 nan 8.150 nan 0.000 0.408 225 I N 2.200 122.816 120.570 0.077 0.000 2.321 225 I HA 0.268 4.437 4.170 -0.001 0.000 0.291 225 I C -0.925 175.273 176.117 0.135 0.000 0.998 225 I CA -0.633 60.723 61.300 0.093 0.000 1.227 225 I CB 1.303 39.334 38.000 0.050 0.000 1.368 225 I HN 0.419 nan 8.210 nan 0.000 0.466 226 L N 7.258 128.577 121.223 0.160 0.000 2.357 226 L HA 0.443 4.783 4.340 -0.001 0.000 0.273 226 L C -0.053 177.017 176.870 0.333 0.000 1.080 226 L CA -0.256 54.704 54.840 0.200 0.000 0.803 226 L CB 1.149 43.289 42.059 0.135 0.000 1.174 226 L HN 0.482 nan 8.230 nan 0.000 0.443 227 K N 2.513 123.048 120.400 0.224 0.000 2.463 227 K HA 0.329 4.649 4.320 -0.001 0.000 0.255 227 K C -1.260 175.220 176.600 -0.199 0.000 0.942 227 K CA -0.507 55.795 56.287 0.025 0.000 0.814 227 K CB 1.404 33.911 32.500 0.011 0.000 1.122 227 K HN 0.678 nan 8.250 nan 0.000 0.425 228 c N 4.683 122.929 118.600 -0.591 0.000 2.576 228 c HA 0.316 4.886 4.570 -0.001 0.000 0.401 228 c C 0.567 174.285 174.090 -0.619 0.000 1.314 228 c CA -0.323 55.455 56.329 -0.919 0.000 1.855 228 c CB -0.792 40.537 42.510 -1.969 0.000 2.537 228 c HN 0.892 nan 8.230 nan 0.000 0.578 229 N N 3.034 121.476 118.700 -0.431 0.000 2.204 229 N HA 0.094 4.833 4.740 -0.001 0.000 0.219 229 N C -0.539 174.846 175.510 -0.210 0.000 1.151 229 N CA -0.141 52.749 53.050 -0.266 0.000 0.867 229 N CB 0.240 38.626 38.487 -0.168 0.000 1.043 229 N HN 0.730 nan 8.380 nan 0.000 0.516 230 D N 1.657 121.889 120.400 -0.279 0.000 2.400 230 D HA 0.070 4.709 4.640 -0.001 0.000 0.238 230 D C 0.615 176.898 176.300 -0.028 0.000 1.157 230 D CA 0.562 54.479 54.000 -0.139 0.000 0.889 230 D CB 1.233 41.951 40.800 -0.137 0.000 1.199 230 D HN -0.105 nan 8.370 nan 0.000 0.436 231 K N 1.064 121.465 120.400 0.002 0.000 2.350 231 K HA 0.034 4.353 4.320 -0.001 0.000 0.279 231 K C 0.479 177.118 176.600 0.065 0.000 1.027 231 K CA -0.352 55.950 56.287 0.025 0.000 0.969 231 K CB 0.470 32.975 32.500 0.009 0.000 0.954 231 K HN 0.253 nan 8.250 nan 0.000 0.474 232 K N 2.196 122.637 120.400 0.068 0.000 3.035 232 K HA -0.214 4.106 4.320 -0.001 0.000 0.262 232 K C -0.760 175.913 176.600 0.122 0.000 1.024 232 K CA 0.179 56.505 56.287 0.065 0.000 0.748 232 K CB -1.673 30.843 32.500 0.028 0.000 1.247 232 K HN 0.513 nan 8.250 nan 0.000 0.482 233 F N 0.923 120.869 119.950 -0.006 0.000 2.612 233 F HA 0.078 4.605 4.527 -0.001 0.000 0.389 233 F C 1.359 177.168 175.800 0.015 0.000 1.055 233 F CA 0.298 58.295 58.000 -0.005 0.000 1.232 233 F CB 0.294 39.282 39.000 -0.020 0.000 1.044 233 F HN 0.274 nan 8.300 nan 0.000 0.560 234 N N 3.506 121.962 118.700 -0.406 0.000 2.459 234 N HA -0.000 4.739 4.740 -0.001 0.000 0.181 234 N C 1.628 176.739 175.510 -0.665 0.000 1.046 234 N CA 1.364 54.178 53.050 -0.394 0.000 0.904 234 N CB -0.154 38.236 38.487 -0.161 0.000 0.964 234 N HN 0.953 nan 8.380 nan 0.000 0.444 235 G N -2.028 105.771 108.800 -1.669 0.000 2.195 235 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.246 235 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.246 235 G C 0.256 174.866 174.900 -0.483 0.000 0.984 235 G CA 0.644 45.105 45.100 -1.066 0.000 0.633 235 G HN 0.564 nan 8.290 nan 0.000 0.525 236 T N -0.249 114.093 114.554 -0.353 0.000 2.893 236 T HA 0.767 5.117 4.350 -0.001 0.000 0.293 236 T C 0.362 175.154 174.700 0.153 0.000 1.027 236 T CA 1.473 63.607 62.100 0.057 0.000 0.988 236 T CB 1.212 70.168 68.868 0.147 0.000 1.043 236 T HN 2.223 nan 8.240 nan 0.000 0.461 237 G N 4.498 113.451 108.800 0.255 0.000 2.610 237 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.304 237 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.304 237 G C -3.144 171.959 174.900 0.339 0.000 1.309 237 G CA -0.753 44.497 45.100 0.249 0.000 0.906 237 G HN 0.684 nan 8.290 nan 0.000 0.521 238 P HA 0.441 nan 4.420 nan 0.000 0.275 238 P C -0.215 177.203 177.300 0.197 0.000 1.228 238 P CA -0.051 63.183 63.100 0.224 0.000 0.786 238 P CB 1.513 33.297 31.700 0.139 0.000 0.927 239 c N 3.269 121.944 118.600 0.124 0.000 2.351 239 c HA 0.378 4.947 4.570 -0.001 0.000 0.326 239 c C 2.216 176.271 174.090 -0.058 0.000 1.272 239 c CA 0.326 56.586 56.329 -0.115 0.000 1.650 239 c CB 0.183 42.414 42.510 -0.465 0.000 2.257 239 c HN 0.827 nan 8.230 nan 0.000 0.505 240 T N 2.273 116.780 114.554 -0.078 0.000 2.735 240 T HA 0.003 4.352 4.350 -0.001 0.000 0.256 240 T C 0.522 175.187 174.700 -0.058 0.000 1.042 240 T CA 0.957 63.032 62.100 -0.043 0.000 1.147 240 T CB -0.282 68.568 68.868 -0.030 0.000 0.865 240 T HN 0.740 nan 8.240 nan 0.000 0.421 241 N N 1.868 120.508 118.700 -0.101 0.000 2.485 241 N HA 0.520 5.259 4.740 -0.001 0.000 0.243 241 N C -1.439 173.997 175.510 -0.123 0.000 0.987 241 N CA -0.270 52.725 53.050 -0.091 0.000 0.940 241 N CB 1.890 40.324 38.487 -0.088 0.000 1.122 241 N HN 0.264 nan 8.380 nan 0.000 0.509 242 V N 1.552 121.426 119.914 -0.066 0.000 2.581 242 V HA 0.696 4.815 4.120 -0.001 0.000 0.303 242 V C -0.165 175.922 176.094 -0.012 0.000 1.041 242 V CA -0.352 61.925 62.300 -0.039 0.000 0.907 242 V CB 1.757 33.610 31.823 0.049 0.000 0.994 242 V HN 0.821 nan 8.190 nan 0.000 0.442 243 S N 3.526 119.226 115.700 0.000 0.000 2.697 243 S HA 0.707 5.177 4.470 -0.001 0.000 0.289 243 S C -0.542 174.087 174.600 0.048 0.000 1.149 243 S CA -0.623 57.586 58.200 0.015 0.000 0.850 243 S CB 2.004 65.204 63.200 0.000 0.000 1.151 243 S HN 0.855 nan 8.310 nan 0.000 0.491 244 T N 0.425 115.007 114.554 0.046 0.000 2.887 244 T HA 0.748 5.098 4.350 -0.001 0.000 0.288 244 T C -0.883 173.853 174.700 0.059 0.000 1.021 244 T CA -0.270 61.866 62.100 0.059 0.000 1.000 244 T CB 0.982 69.874 68.868 0.041 0.000 1.034 244 T HN 1.581 nan 8.240 nan 0.000 0.467 245 V N 2.804 122.759 119.914 0.070 0.000 3.114 245 V HA 0.630 4.749 4.120 -0.001 0.000 0.308 245 V C 0.590 176.694 176.094 0.015 0.000 1.168 245 V CA -0.811 61.520 62.300 0.051 0.000 1.015 245 V CB 1.845 33.721 31.823 0.088 0.000 1.050 245 V HN 0.739 nan 8.190 nan 0.000 0.433 246 Q N 1.080 120.871 119.800 -0.015 0.000 2.163 246 Q HA 0.282 4.621 4.340 -0.001 0.000 0.198 246 Q C 0.348 176.277 176.000 -0.118 0.000 0.954 246 Q CA 1.708 57.483 55.803 -0.047 0.000 0.851 246 Q CB -0.091 28.619 28.738 -0.046 0.000 0.928 246 Q HN 0.969 nan 8.270 nan 0.000 0.459 247 c N -0.761 117.739 118.600 -0.166 0.000 3.171 247 c HA 0.668 5.238 4.570 -0.001 0.000 0.308 247 c C 0.139 174.085 174.090 -0.240 0.000 1.334 247 c CA -0.560 55.576 56.329 -0.321 0.000 1.473 247 c CB 1.193 43.267 42.510 -0.726 0.000 1.866 247 c HN 0.541 nan 8.230 nan 0.000 0.465 248 T N -0.810 113.545 114.554 -0.331 0.000 2.732 248 T HA 0.332 4.681 4.350 -0.001 0.000 0.287 248 T C 0.328 174.983 174.700 -0.074 0.000 0.993 248 T CA -0.071 61.783 62.100 -0.410 0.000 0.966 248 T CB 0.177 68.630 68.868 -0.692 0.000 1.047 248 T HN 0.874 nan 8.240 nan 0.000 0.527 249 H N -0.622 118.497 119.070 0.081 0.000 2.730 249 H HA 0.332 4.887 4.556 -0.001 0.000 0.376 249 H C 0.783 176.184 175.328 0.122 0.000 1.299 249 H CA -0.533 55.595 56.048 0.134 0.000 1.447 249 H CB -0.503 29.359 29.762 0.166 0.000 1.493 249 H HN 0.928 nan 8.280 nan 0.000 0.619 250 G N 0.560 109.445 108.800 0.142 0.000 2.378 250 G HA2 0.416 4.376 3.960 -0.001 0.000 0.255 250 G HA3 0.416 4.376 3.960 -0.001 0.000 0.255 250 G C -0.216 174.691 174.900 0.011 0.000 1.270 250 G CA -0.568 44.545 45.100 0.021 0.000 0.876 250 G HN 0.609 nan 8.290 nan 0.000 0.521 251 I N 1.645 122.173 120.570 -0.070 0.000 2.509 251 I HA 0.386 4.556 4.170 -0.001 0.000 0.293 251 I C 0.166 176.281 176.117 -0.003 0.000 1.020 251 I CA -0.852 60.437 61.300 -0.018 0.000 1.088 251 I CB 2.626 40.589 38.000 -0.061 0.000 1.267 251 I HN 0.359 nan 8.210 nan 0.000 0.430 252 R N 4.989 125.516 120.500 0.045 0.000 3.050 252 R HA 0.340 4.679 4.340 -0.001 0.000 0.275 252 R C -2.473 173.873 176.300 0.077 0.000 1.373 252 R CA -1.653 54.469 56.100 0.038 0.000 1.612 252 R CB 0.139 30.460 30.300 0.035 0.000 1.218 252 R HN 0.306 nan 8.270 nan 0.000 0.621 253 P HA -0.106 nan 4.420 nan 0.000 0.264 253 P C -0.749 176.672 177.300 0.201 0.000 1.173 253 P CA 0.264 63.454 63.100 0.150 0.000 0.761 253 P CB 0.698 32.393 31.700 -0.008 0.000 0.794 254 V N 3.847 123.933 119.914 0.288 0.000 2.668 254 V HA 0.166 4.285 4.120 -0.001 0.000 0.304 254 V C -0.131 176.055 176.094 0.153 0.000 1.071 254 V CA -0.749 61.672 62.300 0.202 0.000 0.894 254 V CB 2.433 34.324 31.823 0.114 0.000 1.008 254 V HN 0.182 nan 8.190 nan 0.000 0.425 255 V N 4.828 124.792 119.914 0.083 0.000 2.461 255 V HA 0.761 4.880 4.120 -0.001 0.000 0.275 255 V C 0.368 176.410 176.094 -0.086 0.000 1.047 255 V CA 0.511 62.686 62.300 -0.209 0.000 0.955 255 V CB 1.180 32.708 31.823 -0.492 0.000 0.988 255 V HN 1.180 nan 8.190 nan 0.000 0.471 256 S N 3.204 118.819 115.700 -0.141 0.000 2.656 256 S HA 0.714 5.184 4.470 -0.001 0.000 0.265 256 S C -0.667 173.917 174.600 -0.027 0.000 1.132 256 S CA -0.312 57.886 58.200 -0.003 0.000 0.819 256 S CB 2.148 65.418 63.200 0.116 0.000 1.119 256 S HN 0.970 nan 8.310 nan 0.000 0.476 257 T N -1.806 112.795 114.554 0.077 0.000 2.906 257 T HA 0.733 5.082 4.350 -0.001 0.000 0.295 257 T C 0.339 175.138 174.700 0.165 0.000 1.061 257 T CA -0.018 62.125 62.100 0.072 0.000 1.000 257 T CB 1.570 70.471 68.868 0.056 0.000 1.103 257 T HN 0.998 nan 8.240 nan 0.000 0.486 258 Q N -0.590 119.255 119.800 0.075 0.000 2.234 258 Q HA -0.219 4.120 4.340 -0.001 0.000 0.178 258 Q C -0.260 175.780 176.000 0.066 0.000 2.907 258 Q CA 1.744 57.581 55.803 0.057 0.000 0.208 258 Q CB -1.481 27.310 28.738 0.089 0.000 0.209 258 Q HN 0.732 nan 8.270 nan 0.000 0.389 259 L N 1.700 122.930 121.223 0.013 0.000 2.322 259 L HA 0.528 4.867 4.340 -0.001 0.000 0.281 259 L C -0.145 176.710 176.870 -0.025 0.000 1.014 259 L CA -0.614 54.173 54.840 -0.088 0.000 0.815 259 L CB 1.217 42.998 42.059 -0.463 0.000 1.247 259 L HN 0.102 nan 8.230 nan 0.000 0.421 260 L N 4.724 125.935 121.223 -0.020 0.000 2.281 260 L HA 0.443 4.782 4.340 -0.001 0.000 0.285 260 L C -0.414 176.439 176.870 -0.029 0.000 1.074 260 L CA -0.275 54.559 54.840 -0.010 0.000 0.817 260 L CB 0.961 43.025 42.059 0.008 0.000 1.168 260 L HN 0.432 nan 8.230 nan 0.000 0.434 261 L N 4.404 125.609 121.223 -0.031 0.000 2.317 261 L HA 0.423 4.763 4.340 -0.001 0.000 0.281 261 L C 0.252 177.114 176.870 -0.013 0.000 1.024 261 L CA -0.803 54.000 54.840 -0.063 0.000 0.810 261 L CB 1.281 43.259 42.059 -0.135 0.000 1.240 261 L HN 0.636 nan 8.230 nan 0.000 0.427 262 N N 1.165 119.853 118.700 -0.019 0.000 2.721 262 N HA -0.158 4.581 4.740 -0.001 0.000 0.249 262 N C 0.070 175.614 175.510 0.056 0.000 1.072 262 N CA 1.003 54.059 53.050 0.011 0.000 0.710 262 N CB -1.116 37.377 38.487 0.009 0.000 0.993 262 N HN 0.969 nan 8.380 nan 0.000 0.547 263 G N -1.368 107.472 108.800 0.065 0.000 2.606 263 G HA2 0.593 4.553 3.960 -0.001 0.000 0.262 263 G HA3 0.593 4.553 3.960 -0.001 0.000 0.262 263 G C -0.262 174.702 174.900 0.106 0.000 1.394 263 G CA -0.268 44.900 45.100 0.114 0.000 1.044 263 G HN 0.150 nan 8.290 nan 0.000 0.553 264 S N -0.640 115.139 115.700 0.132 0.000 2.554 264 S HA 0.472 4.941 4.470 -0.001 0.000 0.278 264 S C -0.027 174.606 174.600 0.055 0.000 1.242 264 S CA -0.365 57.880 58.200 0.075 0.000 1.051 264 S CB 1.057 64.274 63.200 0.029 0.000 0.986 264 S HN 0.343 nan 8.310 nan 0.000 0.502 265 L N 2.156 123.393 121.223 0.025 0.000 2.379 265 L HA 0.576 4.916 4.340 -0.001 0.000 0.269 265 L C 0.676 177.555 176.870 0.015 0.000 1.084 265 L CA -0.834 54.015 54.840 0.015 0.000 0.802 265 L CB 0.784 42.845 42.059 0.003 0.000 1.175 265 L HN 0.699 nan 8.230 nan 0.000 0.448 266 A N 1.562 124.387 122.820 0.009 0.000 2.407 266 A HA 0.158 4.477 4.320 -0.001 0.000 0.248 266 A C 0.902 178.487 177.584 0.002 0.000 1.082 266 A CA -0.179 51.865 52.037 0.012 0.000 0.785 266 A CB 0.274 19.270 19.000 -0.007 0.000 1.020 266 A HN 0.926 nan 8.150 nan 0.000 0.489 267 E N 0.650 120.853 120.200 0.005 0.000 2.046 267 E HA -0.122 4.227 4.350 -0.001 0.000 0.190 267 E C 1.018 177.613 176.600 -0.008 0.000 0.982 267 E CA 1.095 57.493 56.400 -0.005 0.000 0.800 267 E CB 0.072 29.768 29.700 -0.007 0.000 0.756 267 E HN 0.752 nan 8.360 nan 0.000 0.449 268 E N 1.108 121.304 120.200 -0.006 0.000 2.928 268 E HA 0.104 4.453 4.350 -0.001 0.000 0.352 268 E C 0.725 177.315 176.600 -0.016 0.000 0.523 268 E CA 0.427 56.820 56.400 -0.010 0.000 2.011 268 E CB -0.170 29.525 29.700 -0.008 0.000 1.898 268 E HN 0.150 nan 8.360 nan 0.000 0.516 269 E N 0.425 120.613 120.200 -0.019 0.000 2.446 269 E HA 0.422 4.772 4.350 -0.001 0.000 0.251 269 E C 0.162 176.742 176.600 -0.033 0.000 1.087 269 E CA -0.733 55.650 56.400 -0.028 0.000 0.937 269 E CB 1.039 30.721 29.700 -0.030 0.000 1.254 269 E HN 0.114 nan 8.360 nan 0.000 0.479 270 I N 1.531 122.074 120.570 -0.045 0.000 2.648 270 I HA 0.008 4.178 4.170 -0.001 0.000 0.284 270 I C -0.371 175.718 176.117 -0.046 0.000 1.153 270 I CA 0.009 61.278 61.300 -0.052 0.000 1.426 270 I CB 0.316 38.274 38.000 -0.071 0.000 1.381 270 I HN 0.074 nan 8.210 nan 0.000 0.571 271 V N 7.203 127.088 119.914 -0.048 0.000 2.604 271 V HA 0.508 4.627 4.120 -0.001 0.000 0.305 271 V C -0.107 175.966 176.094 -0.034 0.000 1.043 271 V CA -0.688 61.584 62.300 -0.047 0.000 0.888 271 V CB 1.916 33.696 31.823 -0.071 0.000 0.995 271 V HN 0.571 nan 8.190 nan 0.000 0.429 272 I N 1.795 122.379 120.570 0.023 0.000 2.509 272 I HA 0.829 4.998 4.170 -0.001 0.000 0.293 272 I C -0.541 175.704 176.117 0.213 0.000 1.020 272 I CA -0.741 60.627 61.300 0.113 0.000 1.088 272 I CB 1.998 40.110 38.000 0.186 0.000 1.267 272 I HN 0.517 nan 8.210 nan 0.000 0.430 273 R N 3.347 123.931 120.500 0.141 0.000 2.725 273 R HA 0.746 5.085 4.340 -0.001 0.000 0.277 273 R C -1.159 175.146 176.300 0.007 0.000 0.987 273 R CA -0.875 55.297 56.100 0.120 0.000 0.901 273 R CB 2.371 32.691 30.300 0.033 0.000 1.207 273 R HN 0.830 nan 8.270 nan 0.000 0.463 274 S N -0.189 115.347 115.700 -0.274 0.000 2.550 274 S HA 0.083 4.552 4.470 -0.001 0.000 0.270 274 S C 0.313 174.384 174.600 -0.881 0.000 1.145 274 S CA -0.708 57.066 58.200 -0.709 0.000 0.852 274 S CB 1.980 64.424 63.200 -1.261 0.000 1.119 274 S HN 0.820 nan 8.310 nan 0.000 0.465 275 E N 1.875 121.056 120.200 -1.698 0.000 2.204 275 E HA -0.065 4.284 4.350 -0.001 0.000 0.194 275 E C 0.089 176.297 176.600 -0.654 0.000 0.989 275 E CA 0.845 56.295 56.400 -1.582 0.000 0.824 275 E CB 0.126 28.936 29.700 -1.484 0.000 0.756 275 E HN 0.477 nan 8.360 nan 0.000 0.477 276 N N -1.071 117.299 118.700 -0.550 0.000 2.976 276 N HA -0.010 4.729 4.740 -0.001 0.000 0.249 276 N C -0.722 174.674 175.510 -0.191 0.000 1.258 276 N CA -0.317 52.574 53.050 -0.264 0.000 0.864 276 N CB -0.349 38.028 38.487 -0.183 0.000 1.551 276 N HN -0.047 nan 8.380 nan 0.000 0.607 277 F N 1.012 120.923 119.950 -0.065 0.000 2.202 277 F HA -0.138 4.388 4.527 -0.001 0.000 0.301 277 F C 2.248 178.145 175.800 0.161 0.000 1.082 277 F CA 1.607 59.633 58.000 0.043 0.000 1.313 277 F CB 0.052 38.968 39.000 -0.140 0.000 1.024 277 F HN 0.415 nan 8.300 nan 0.000 0.495 278 T N -1.231 113.469 114.554 0.245 0.000 2.962 278 T HA -0.164 4.185 4.350 -0.001 0.000 0.270 278 T C 0.928 175.692 174.700 0.106 0.000 1.088 278 T CA 0.630 62.840 62.100 0.184 0.000 1.127 278 T CB -0.396 68.534 68.868 0.102 0.000 0.883 278 T HN -0.002 nan 8.240 nan 0.000 0.493 279 N N 2.588 121.317 118.700 0.048 0.000 2.437 279 N HA 0.058 4.797 4.740 -0.001 0.000 0.243 279 N C 0.849 176.354 175.510 -0.008 0.000 1.041 279 N CA -0.333 52.713 53.050 -0.007 0.000 0.940 279 N CB 0.450 38.900 38.487 -0.062 0.000 1.133 279 N HN 0.289 nan 8.380 nan 0.000 0.506 280 N N 2.892 121.588 118.700 -0.006 0.000 2.453 280 N HA -0.137 4.603 4.740 -0.001 0.000 0.183 280 N C 0.892 176.376 175.510 -0.042 0.000 1.041 280 N CA 0.499 53.534 53.050 -0.024 0.000 0.900 280 N CB -0.021 38.432 38.487 -0.057 0.000 0.961 280 N HN 0.423 nan 8.380 nan 0.000 0.443 281 A N 0.189 122.978 122.820 -0.052 0.000 2.238 281 A HA 0.063 4.383 4.320 -0.001 0.000 0.208 281 A C 0.650 178.184 177.584 -0.083 0.000 1.177 281 A CA 0.186 52.189 52.037 -0.058 0.000 0.804 281 A CB 0.055 19.024 19.000 -0.052 0.000 0.823 281 A HN -0.022 nan 8.150 nan 0.000 0.482 282 K N 1.463 121.794 120.400 -0.115 0.000 2.183 282 K HA 0.336 4.655 4.320 -0.001 0.000 0.274 282 K C -0.354 176.145 176.600 -0.169 0.000 1.009 282 K CA -0.080 56.089 56.287 -0.196 0.000 0.888 282 K CB 0.986 33.297 32.500 -0.315 0.000 1.078 282 K HN 0.154 nan 8.250 nan 0.000 0.459 283 T N 3.113 117.577 114.554 -0.150 0.000 2.926 283 T HA 0.217 4.566 4.350 -0.001 0.000 0.307 283 T C 0.817 175.469 174.700 -0.080 0.000 1.059 283 T CA -0.012 62.049 62.100 -0.066 0.000 1.122 283 T CB 0.368 69.232 68.868 -0.007 0.000 0.972 283 T HN 0.310 nan 8.240 nan 0.000 0.545 284 I N 3.296 123.873 120.570 0.012 0.000 2.330 284 I HA 0.356 4.525 4.170 -0.001 0.000 0.289 284 I C -0.044 176.125 176.117 0.087 0.000 1.001 284 I CA -0.536 60.784 61.300 0.033 0.000 1.193 284 I CB 0.982 39.076 38.000 0.157 0.000 1.345 284 I HN 0.445 nan 8.210 nan 0.000 0.461 285 I N 7.166 127.799 120.570 0.105 0.000 2.315 285 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 285 I C -0.294 175.845 176.117 0.037 0.000 1.006 285 I CA -0.679 60.664 61.300 0.073 0.000 1.265 285 I CB 1.355 39.390 38.000 0.058 0.000 1.387 285 I HN 0.183 nan 8.210 nan 0.000 0.475 286 V N 6.684 126.615 119.914 0.028 0.000 2.394 286 V HA 0.245 4.365 4.120 -0.001 0.000 0.282 286 V C 0.021 176.102 176.094 -0.022 0.000 1.031 286 V CA -0.491 61.813 62.300 0.008 0.000 0.881 286 V CB 1.462 33.294 31.823 0.015 0.000 0.982 286 V HN 0.737 nan 8.190 nan 0.000 0.451 287 Q N 5.026 124.797 119.800 -0.049 0.000 2.381 287 Q HA 0.537 4.877 4.340 -0.001 0.000 0.263 287 Q C -1.113 174.862 176.000 -0.041 0.000 1.030 287 Q CA -0.566 55.207 55.803 -0.050 0.000 0.772 287 Q CB 1.285 29.965 28.738 -0.096 0.000 1.232 287 Q HN 0.716 nan 8.270 nan 0.000 0.476 288 L N 2.854 124.059 121.223 -0.030 0.000 2.472 288 L HA 0.191 4.531 4.340 -0.001 0.000 0.260 288 L C 1.287 178.141 176.870 -0.028 0.000 1.209 288 L CA -0.365 54.452 54.840 -0.039 0.000 0.817 288 L CB 0.363 42.403 42.059 -0.033 0.000 1.106 288 L HN 0.768 nan 8.230 nan 0.000 0.479 289 N N -0.525 118.154 118.700 -0.034 0.000 2.184 289 N HA 0.074 4.814 4.740 -0.001 0.000 0.206 289 N C -0.290 175.206 175.510 -0.023 0.000 1.151 289 N CA -0.036 52.999 53.050 -0.025 0.000 0.878 289 N CB 0.715 39.185 38.487 -0.028 0.000 1.014 289 N HN 0.598 nan 8.380 nan 0.000 0.512 290 E N 0.185 120.369 120.200 -0.027 0.000 2.278 290 E HA 0.327 4.676 4.350 -0.001 0.000 0.272 290 E C -1.165 175.426 176.600 -0.015 0.000 0.890 290 E CA -0.502 55.885 56.400 -0.022 0.000 0.770 290 E CB 2.024 31.706 29.700 -0.030 0.000 1.212 290 E HN 0.003 nan 8.360 nan 0.000 0.415 291 S N 1.269 116.963 115.700 -0.009 0.000 2.565 291 S HA 0.266 4.735 4.470 -0.001 0.000 0.276 291 S C -0.179 174.420 174.600 -0.002 0.000 1.326 291 S CA -0.577 57.619 58.200 -0.006 0.000 1.045 291 S CB 0.993 64.186 63.200 -0.013 0.000 0.918 291 S HN 0.250 nan 8.310 nan 0.000 0.505 292 V N 3.960 123.878 119.914 0.007 0.000 2.350 292 V HA 0.250 4.369 4.120 -0.001 0.000 0.285 292 V C 0.056 176.122 176.094 -0.046 0.000 1.014 292 V CA -0.771 61.535 62.300 0.011 0.000 0.831 292 V CB 1.271 33.151 31.823 0.095 0.000 1.000 292 V HN 0.682 nan 8.190 nan 0.000 0.433 293 V N 6.318 126.202 119.914 -0.049 0.000 2.740 293 V HA 0.244 4.363 4.120 -0.001 0.000 0.303 293 V C 0.099 176.129 176.094 -0.105 0.000 1.054 293 V CA 0.271 62.528 62.300 -0.072 0.000 1.106 293 V CB 1.348 33.139 31.823 -0.052 0.000 0.957 293 V HN 0.764 nan 8.190 nan 0.000 0.486 294 I N 4.801 125.289 120.570 -0.135 0.000 2.468 294 I HA 0.498 4.667 4.170 -0.001 0.000 0.285 294 I C -0.933 175.101 176.117 -0.139 0.000 1.039 294 I CA -0.477 60.727 61.300 -0.161 0.000 1.074 294 I CB 1.437 39.296 38.000 -0.235 0.000 1.228 294 I HN 0.560 nan 8.210 nan 0.000 0.436 295 N N 6.741 125.379 118.700 -0.103 0.000 2.372 295 N HA 0.505 5.244 4.740 -0.001 0.000 0.291 295 N C -1.248 174.214 175.510 -0.080 0.000 1.024 295 N CA -0.275 52.722 53.050 -0.088 0.000 0.873 295 N CB 1.987 40.435 38.487 -0.064 0.000 1.206 295 N HN 0.499 nan 8.380 nan 0.000 0.486 296 c N -0.062 118.497 118.600 -0.068 0.000 2.595 296 c HA 0.812 5.381 4.570 -0.001 0.000 0.338 296 c C 0.755 174.840 174.090 -0.010 0.000 1.219 296 c CA -0.563 55.754 56.329 -0.021 0.000 1.811 296 c CB 1.901 44.448 42.510 0.061 0.000 2.313 296 c HN 0.696 nan 8.230 nan 0.000 0.499 297 T N -0.969 113.571 114.554 -0.023 0.000 2.900 297 T HA 0.526 4.875 4.350 -0.001 0.000 0.303 297 T C 0.910 175.647 174.700 0.063 0.000 1.142 297 T CA 0.364 62.456 62.100 -0.013 0.000 1.007 297 T CB 1.365 70.149 68.868 -0.140 0.000 1.156 297 T HN 0.921 nan 8.240 nan 0.000 0.490 298 G N 1.519 110.362 108.800 0.072 0.000 2.586 298 G HA2 0.330 4.290 3.960 -0.001 0.000 0.215 298 G HA3 0.330 4.290 3.960 -0.001 0.000 0.215 298 G C 0.853 175.781 174.900 0.046 0.000 1.128 298 G CA 0.593 45.714 45.100 0.036 0.000 0.774 298 G HN 1.078 nan 8.290 nan 0.000 0.543 330 H N -2.111 117.024 119.070 0.108 0.000 3.060 330 H HA 0.545 5.101 4.556 -0.001 0.000 0.330 330 H C -1.584 173.815 175.328 0.119 0.000 1.305 330 H CA -0.824 55.288 56.048 0.107 0.000 1.209 330 H CB 0.697 30.500 29.762 0.070 0.000 1.913 330 H HN 0.090 nan 8.280 nan 0.000 0.534 331 c N 1.899 120.563 118.600 0.108 0.000 2.493 331 c HA 0.492 5.061 4.570 -0.001 0.000 0.326 331 c C 0.054 174.160 174.090 0.027 0.000 1.200 331 c CA -0.721 55.620 56.329 0.021 0.000 1.739 331 c CB 1.042 43.591 42.510 0.064 0.000 2.300 331 c HN 0.681 nan 8.230 nan 0.000 0.500 332 N N 1.861 120.549 118.700 -0.019 0.000 2.430 332 N HA 0.700 5.439 4.740 -0.001 0.000 0.292 332 N C -1.205 174.268 175.510 -0.061 0.000 1.051 332 N CA -0.401 52.645 53.050 -0.007 0.000 0.917 332 N CB 1.940 40.430 38.487 0.006 0.000 1.164 332 N HN 0.582 nan 8.380 nan 0.000 0.484 333 L N 1.045 122.225 121.223 -0.071 0.000 2.470 333 L HA 0.333 4.672 4.340 -0.001 0.000 0.268 333 L C -0.140 176.694 176.870 -0.060 0.000 0.964 333 L CA -0.572 54.198 54.840 -0.116 0.000 0.839 333 L CB 1.852 43.763 42.059 -0.246 0.000 1.276 333 L HN 0.470 nan 8.230 nan 0.000 0.403 334 S N 3.758 119.440 115.700 -0.030 0.000 2.544 334 S HA 0.076 4.545 4.470 -0.001 0.000 0.290 334 S C 1.203 175.828 174.600 0.042 0.000 1.276 334 S CA 0.568 58.773 58.200 0.008 0.000 1.075 334 S CB 0.260 63.468 63.200 0.014 0.000 0.849 334 S HN 0.886 nan 8.310 nan 0.000 0.494 335 K N 2.890 123.318 120.400 0.046 0.000 2.001 335 K HA -0.098 4.222 4.320 -0.001 0.000 0.208 335 K C 2.254 178.906 176.600 0.087 0.000 1.048 335 K CA 1.878 58.211 56.287 0.077 0.000 0.932 335 K CB -0.651 31.887 32.500 0.063 0.000 0.715 335 K HN 0.902 nan 8.250 nan 0.000 0.437 336 T N -0.705 113.883 114.554 0.057 0.000 2.746 336 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 336 T C 1.983 176.699 174.700 0.028 0.000 1.039 336 T CA 0.830 62.955 62.100 0.042 0.000 1.142 336 T CB -0.271 68.615 68.868 0.030 0.000 0.866 336 T HN 0.128 nan 8.240 nan 0.000 0.444 337 Q N -0.111 119.713 119.800 0.040 0.000 2.030 337 Q HA -0.105 4.235 4.340 -0.001 0.000 0.204 337 Q C 1.972 177.998 176.000 0.044 0.000 0.986 337 Q CA 1.692 57.515 55.803 0.034 0.000 0.843 337 Q CB -0.639 28.127 28.738 0.047 0.000 0.904 337 Q HN 0.825 nan 8.270 nan 0.000 0.420 338 W N 1.295 122.509 121.300 -0.143 0.000 2.402 338 W HA -0.165 4.494 4.660 -0.001 0.000 0.286 338 W C 1.702 178.062 176.519 -0.264 0.000 1.221 338 W CA 1.327 58.541 57.345 -0.218 0.000 1.257 338 W CB 0.128 29.449 29.460 -0.231 0.000 1.120 338 W HN 0.339 nan 8.180 nan 0.000 0.551 339 E N 0.447 120.558 120.200 -0.148 0.000 2.077 339 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 339 E C 1.817 178.233 176.600 -0.308 0.000 0.989 339 E CA 1.411 57.676 56.400 -0.226 0.000 0.800 339 E CB -0.247 29.462 29.700 0.016 0.000 0.746 339 E HN 0.140 nan 8.360 nan 0.000 0.452 340 N N -0.032 118.546 118.700 -0.203 0.000 2.120 340 N HA -0.114 4.625 4.740 -0.001 0.000 0.188 340 N C 1.823 177.144 175.510 -0.316 0.000 1.024 340 N CA 1.671 54.612 53.050 -0.181 0.000 0.852 340 N CB -0.627 37.798 38.487 -0.104 0.000 1.003 340 N HN 0.160 nan 8.380 nan 0.000 0.424 341 T N 2.366 116.656 114.554 -0.440 0.000 2.684 341 T HA -0.033 4.316 4.350 -0.001 0.000 0.267 341 T C 2.181 176.418 174.700 -0.773 0.000 1.036 341 T CA 0.727 62.483 62.100 -0.573 0.000 1.148 341 T CB -0.328 68.106 68.868 -0.723 0.000 0.863 341 T HN 0.137 nan 8.240 nan 0.000 0.436 342 L N 0.723 121.263 121.223 -1.137 0.000 2.042 342 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 342 L C 2.855 179.139 176.870 -0.977 0.000 1.076 342 L CA 1.563 55.607 54.840 -1.327 0.000 0.749 342 L CB -0.558 40.398 42.059 -1.839 0.000 0.893 342 L HN 0.386 nan 8.230 nan 0.000 0.432 343 E N -0.241 119.495 120.200 -0.775 0.000 2.031 343 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 343 E C 2.215 178.735 176.600 -0.133 0.000 0.994 343 E CA 1.220 57.463 56.400 -0.261 0.000 0.800 343 E CB 0.092 29.801 29.700 0.016 0.000 0.752 343 E HN 0.421 nan 8.360 nan 0.000 0.447 344 Q N 0.343 120.032 119.800 -0.184 0.000 2.124 344 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 344 Q C 2.344 178.270 176.000 -0.124 0.000 0.977 344 Q CA 1.027 56.754 55.803 -0.126 0.000 0.850 344 Q CB -0.273 28.382 28.738 -0.138 0.000 0.901 344 Q HN 0.483 nan 8.270 nan 0.000 0.429 345 I N 0.416 120.873 120.570 -0.189 0.000 2.252 345 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 345 I C 2.301 178.396 176.117 -0.037 0.000 1.102 345 I CA 0.943 62.167 61.300 -0.126 0.000 1.385 345 I CB -0.433 37.456 38.000 -0.185 0.000 1.064 345 I HN 0.065 nan 8.210 nan 0.000 0.414 346 A N 1.192 124.024 122.820 0.019 0.000 1.908 346 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 346 A C 2.316 179.921 177.584 0.034 0.000 1.181 346 A CA 1.606 53.686 52.037 0.071 0.000 0.627 346 A CB -0.874 18.280 19.000 0.256 0.000 0.818 346 A HN 0.380 nan 8.150 nan 0.000 0.445 347 I N -0.637 119.949 120.570 0.026 0.000 2.163 347 I HA -0.281 3.889 4.170 -0.001 0.000 0.243 347 I C 2.412 178.519 176.117 -0.017 0.000 1.085 347 I CA 1.448 62.755 61.300 0.012 0.000 1.347 347 I CB -0.276 37.725 38.000 0.001 0.000 1.044 347 I HN 0.219 nan 8.210 nan 0.000 0.408 348 K N 0.711 121.088 120.400 -0.039 0.000 2.057 348 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 348 K C 2.090 178.647 176.600 -0.073 0.000 1.049 348 K CA 1.306 57.556 56.287 -0.061 0.000 0.931 348 K CB -0.581 31.882 32.500 -0.060 0.000 0.714 348 K HN 0.351 nan 8.250 nan 0.000 0.440 349 L N 0.992 122.185 121.223 -0.049 0.000 2.083 349 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 349 L C 2.402 179.345 176.870 0.121 0.000 1.083 349 L CA 1.278 56.131 54.840 0.021 0.000 0.752 349 L CB -0.282 41.678 42.059 -0.164 0.000 0.899 349 L HN 0.153 nan 8.230 nan 0.000 0.433 350 K N -0.051 120.384 120.400 0.058 0.000 2.148 350 K HA -0.168 4.151 4.320 -0.001 0.000 0.204 350 K C 1.900 178.500 176.600 -0.000 0.000 1.050 350 K CA 1.123 57.450 56.287 0.067 0.000 0.942 350 K CB -0.030 32.498 32.500 0.046 0.000 0.724 350 K HN 0.397 nan 8.250 nan 0.000 0.446 351 E N 0.278 120.443 120.200 -0.059 0.000 2.204 351 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 351 E C 2.064 178.540 176.600 -0.206 0.000 0.989 351 E CA 0.722 57.057 56.400 -0.108 0.000 0.824 351 E CB 0.227 29.861 29.700 -0.110 0.000 0.756 351 E HN 0.179 nan 8.360 nan 0.000 0.477 352 Q N -0.994 118.609 119.800 -0.329 0.000 2.297 352 Q HA 0.038 4.377 4.340 -0.001 0.000 0.203 352 Q C 1.231 176.812 176.000 -0.698 0.000 0.931 352 Q CA 0.874 56.261 55.803 -0.693 0.000 0.885 352 Q CB 0.375 28.346 28.738 -1.279 0.000 0.991 352 Q HN 0.309 nan 8.270 nan 0.000 0.498 353 F N -0.941 118.934 119.950 -0.125 0.000 2.724 353 F HA 0.407 4.934 4.527 -0.001 0.000 0.306 353 F C 0.746 176.530 175.800 -0.027 0.000 1.100 353 F CA 0.350 58.323 58.000 -0.045 0.000 1.255 353 F CB 1.429 40.452 39.000 0.037 0.000 1.072 353 F HN -0.036 nan 8.300 nan 0.000 0.589 354 G N 0.710 109.576 108.800 0.110 0.000 2.621 354 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.355 354 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.355 354 G C -0.532 174.399 174.900 0.052 0.000 1.509 354 G CA -0.983 44.156 45.100 0.065 0.000 1.000 354 G HN -0.027 nan 8.290 nan 0.000 0.646 355 N N 0.592 119.306 118.700 0.023 0.000 2.573 355 N HA -0.037 4.702 4.740 -0.001 0.000 0.187 355 N C 1.832 177.354 175.510 0.019 0.000 1.107 355 N CA 0.901 53.962 53.050 0.018 0.000 0.918 355 N CB 0.186 38.676 38.487 0.004 0.000 0.966 355 N HN 0.466 nan 8.380 nan 0.000 0.448 356 N N -0.153 118.560 118.700 0.021 0.000 2.368 356 N HA 0.051 4.790 4.740 -0.001 0.000 0.178 356 N C -0.211 175.308 175.510 0.016 0.000 1.076 356 N CA 0.221 53.279 53.050 0.014 0.000 0.889 356 N CB 0.544 39.036 38.487 0.009 0.000 1.040 356 N HN 0.223 nan 8.380 nan 0.000 0.463 357 K N 1.069 121.487 120.400 0.030 0.000 2.319 357 K HA 0.124 4.444 4.320 -0.001 0.000 0.265 357 K C -0.085 176.527 176.600 0.021 0.000 1.000 357 K CA 0.456 56.758 56.287 0.026 0.000 0.943 357 K CB 0.500 33.029 32.500 0.047 0.000 0.950 357 K HN -0.130 nan 8.250 nan 0.000 0.485 358 T N 2.607 117.162 114.554 0.001 0.000 2.767 358 T HA 0.290 4.640 4.350 -0.001 0.000 0.288 358 T C -0.106 174.597 174.700 0.005 0.000 0.963 358 T CA -0.596 61.499 62.100 -0.008 0.000 1.019 358 T CB 0.379 69.227 68.868 -0.033 0.000 0.923 358 T HN 0.195 nan 8.240 nan 0.000 0.468 359 I N 4.196 124.783 120.570 0.028 0.000 2.342 359 I HA 0.438 4.607 4.170 -0.001 0.000 0.291 359 I C -0.063 176.053 176.117 -0.002 0.000 1.010 359 I CA -0.527 60.799 61.300 0.044 0.000 1.308 359 I CB 0.704 38.731 38.000 0.047 0.000 1.400 359 I HN 0.556 nan 8.210 nan 0.000 0.488 360 I N 6.242 126.784 120.570 -0.047 0.000 2.582 360 I HA 0.390 4.559 4.170 -0.001 0.000 0.292 360 I C -1.054 175.025 176.117 -0.064 0.000 1.066 360 I CA -0.550 60.742 61.300 -0.014 0.000 1.053 360 I CB 1.824 39.826 38.000 0.004 0.000 1.241 360 I HN 0.243 nan 8.210 nan 0.000 0.421 361 F N 4.272 124.458 119.950 0.393 0.000 2.436 361 F HA 0.503 5.030 4.527 -0.001 0.000 0.340 361 F C 0.288 176.277 175.800 0.315 0.000 1.113 361 F CA -0.545 57.690 58.000 0.392 0.000 1.022 361 F CB 1.354 40.617 39.000 0.439 0.000 1.128 361 F HN 0.374 nan 8.300 nan 0.000 0.466 362 N N 2.811 121.768 118.700 0.428 0.000 2.284 362 N HA 0.465 5.204 4.740 -0.001 0.000 0.289 362 N C -2.838 172.816 175.510 0.239 0.000 1.179 362 N CA -2.029 51.191 53.050 0.283 0.000 0.774 362 N CB 2.541 41.119 38.487 0.152 0.000 1.548 362 N HN 0.107 nan 8.380 nan 0.000 0.473 363 P HA 0.012 nan 4.420 nan 0.000 0.271 363 P C -0.077 177.251 177.300 0.047 0.000 1.244 363 P CA -0.134 63.050 63.100 0.139 0.000 0.793 363 P CB 0.434 32.229 31.700 0.159 0.000 0.984 364 S N 0.137 115.840 115.700 0.004 0.000 2.558 364 S HA -0.031 4.438 4.470 -0.001 0.000 0.291 364 S C 1.166 175.778 174.600 0.019 0.000 1.306 364 S CA 0.149 58.345 58.200 -0.007 0.000 1.056 364 S CB -0.468 62.733 63.200 0.002 0.000 0.836 364 S HN 0.318 nan 8.310 nan 0.000 0.504 365 S N 3.070 118.775 115.700 0.009 0.000 2.522 365 S HA 0.352 4.821 4.470 -0.001 0.000 0.227 365 S C 0.911 175.522 174.600 0.019 0.000 0.986 365 S CA 0.454 58.661 58.200 0.012 0.000 0.929 365 S CB -0.723 62.477 63.200 -0.000 0.000 0.769 365 S HN 1.388 nan 8.310 nan 0.000 0.529 366 G N -0.801 108.013 108.800 0.023 0.000 2.423 366 G HA2 0.457 4.417 3.960 -0.001 0.000 0.684 366 G HA3 0.457 4.417 3.960 -0.001 0.000 0.684 366 G C -0.314 174.604 174.900 0.031 0.000 1.309 366 G CA -0.584 44.535 45.100 0.031 0.000 0.950 366 G HN 1.030 nan 8.290 nan 0.000 0.587 367 G N -0.844 107.978 108.800 0.038 0.000 2.302 367 G HA2 0.489 4.449 3.960 -0.001 0.000 0.264 367 G HA3 0.489 4.449 3.960 -0.001 0.000 0.264 367 G C -0.973 173.959 174.900 0.052 0.000 1.335 367 G CA 0.331 45.455 45.100 0.039 0.000 0.982 367 G HN 1.181 nan 8.290 nan 0.000 0.473 368 D N 1.116 121.552 120.400 0.060 0.000 2.390 368 D HA 0.270 4.909 4.640 -0.001 0.000 0.236 368 D C -1.098 175.267 176.300 0.107 0.000 1.189 368 D CA -0.610 53.435 54.000 0.076 0.000 0.887 368 D CB 0.916 41.767 40.800 0.084 0.000 1.198 368 D HN 0.013 nan 8.370 nan 0.000 0.444 369 P HA -0.149 nan 4.420 nan 0.000 0.216 369 P C 0.904 178.380 177.300 0.294 0.000 1.150 369 P CA 1.335 64.551 63.100 0.192 0.000 0.843 369 P CB 0.313 32.095 31.700 0.136 0.000 0.787 370 E N -0.862 119.522 120.200 0.307 0.000 2.097 370 E HA -0.170 4.180 4.350 -0.001 0.000 0.196 370 E C 1.918 178.584 176.600 0.111 0.000 1.000 370 E CA 1.082 57.602 56.400 0.201 0.000 0.804 370 E CB -0.855 28.954 29.700 0.181 0.000 0.740 370 E HN 0.196 nan 8.360 nan 0.000 0.454 371 I N -0.109 120.525 120.570 0.107 0.000 2.406 371 I HA -0.124 4.045 4.170 -0.001 0.000 0.249 371 I C 2.000 178.159 176.117 0.070 0.000 1.122 371 I CA 0.784 62.126 61.300 0.071 0.000 1.431 371 I CB -0.698 37.336 38.000 0.057 0.000 1.087 371 I HN 0.003 nan 8.210 nan 0.000 0.424 372 V N 0.472 120.442 119.914 0.093 0.000 2.719 372 V HA -0.083 4.036 4.120 -0.001 0.000 0.252 372 V C 1.424 177.588 176.094 0.118 0.000 1.065 372 V CA 1.406 63.760 62.300 0.090 0.000 1.086 372 V CB -0.982 30.896 31.823 0.092 0.000 0.700 372 V HN 0.555 nan 8.190 nan 0.000 0.467 373 T N -2.176 112.471 114.554 0.155 0.000 2.922 373 T HA 0.432 4.781 4.350 -0.001 0.000 0.281 373 T C -0.334 174.484 174.700 0.198 0.000 1.005 373 T CA -0.517 61.698 62.100 0.191 0.000 0.982 373 T CB 1.541 70.550 68.868 0.236 0.000 1.158 373 T HN 0.327 nan 8.240 nan 0.000 0.566 374 H N 0.989 120.143 119.070 0.141 0.000 2.690 374 H HA 0.571 5.127 4.556 -0.001 0.000 0.289 374 H C -0.211 175.226 175.328 0.182 0.000 1.089 374 H CA -0.582 55.554 56.048 0.146 0.000 1.299 374 H CB -0.214 29.639 29.762 0.151 0.000 1.405 374 H HN 0.795 nan 8.280 nan 0.000 0.463 375 S N 4.588 120.222 115.700 -0.110 0.000 2.621 375 S HA 0.827 5.297 4.470 -0.001 0.000 0.302 375 S C -0.856 173.679 174.600 -0.108 0.000 1.093 375 S CA -0.584 57.401 58.200 -0.358 0.000 1.017 375 S CB 1.598 64.371 63.200 -0.712 0.000 1.077 375 S HN 0.623 nan 8.310 nan 0.000 0.517 376 F N -1.687 118.076 119.950 -0.313 0.000 2.799 376 F HA 0.564 5.091 4.527 -0.001 0.000 0.316 376 F C -1.500 174.253 175.800 -0.078 0.000 1.155 376 F CA -1.140 56.750 58.000 -0.183 0.000 0.916 376 F CB 0.862 39.718 39.000 -0.239 0.000 1.294 376 F HN 0.634 nan 8.300 nan 0.000 0.447 377 N N 1.030 119.734 118.700 0.005 0.000 2.392 377 N HA 0.494 5.233 4.740 -0.001 0.000 0.283 377 N C -1.924 173.566 175.510 -0.034 0.000 1.003 377 N CA -0.074 52.870 53.050 -0.177 0.000 0.892 377 N CB 1.932 40.303 38.487 -0.193 0.000 1.193 377 N HN 0.918 nan 8.380 nan 0.000 0.487 378 c N 2.494 121.048 118.600 -0.076 0.000 2.397 378 c HA 0.628 5.197 4.570 -0.001 0.000 0.325 378 c C 1.291 175.367 174.090 -0.023 0.000 1.201 378 c CA 0.560 56.867 56.329 -0.036 0.000 1.377 378 c CB -0.386 42.042 42.510 -0.136 0.000 2.038 378 c HN 0.947 nan 8.230 nan 0.000 0.457 379 G N 3.611 112.382 108.800 -0.048 0.000 2.187 379 G HA2 0.057 4.016 3.960 -0.001 0.000 0.261 379 G HA3 0.057 4.016 3.960 -0.001 0.000 0.261 379 G C 1.280 176.119 174.900 -0.102 0.000 1.000 379 G CA 1.405 46.475 45.100 -0.049 0.000 0.718 379 G HN 2.651 nan 8.290 nan 0.000 0.519 380 G N -1.942 106.736 108.800 -0.203 0.000 2.194 380 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.236 380 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.236 380 G C 0.089 174.738 174.900 -0.420 0.000 0.987 380 G CA 0.765 45.662 45.100 -0.338 0.000 0.635 380 G HN 0.892 nan 8.290 nan 0.000 0.520 381 E N -0.243 119.815 120.200 -0.237 0.000 2.283 381 E HA 0.629 4.978 4.350 -0.001 0.000 0.271 381 E C -0.570 175.870 176.600 -0.267 0.000 1.031 381 E CA -0.735 55.556 56.400 -0.181 0.000 0.868 381 E CB 0.644 30.327 29.700 -0.029 0.000 1.094 381 E HN 0.164 nan 8.360 nan 0.000 0.401 382 F N 1.984 121.894 119.950 -0.067 0.000 2.334 382 F HA 0.292 4.818 4.527 -0.001 0.000 0.367 382 F C -0.019 175.739 175.800 -0.070 0.000 1.115 382 F CA -0.555 57.435 58.000 -0.017 0.000 1.116 382 F CB 0.298 39.352 39.000 0.091 0.000 1.230 382 F HN 0.217 nan 8.300 nan 0.000 0.484 383 F N 2.612 122.300 119.950 -0.437 0.000 2.397 383 F HA 0.485 5.012 4.527 -0.001 0.000 0.331 383 F C -0.653 174.856 175.800 -0.485 0.000 1.090 383 F CA -1.264 56.441 58.000 -0.491 0.000 1.065 383 F CB 0.893 39.263 39.000 -1.051 0.000 1.184 383 F HN 0.230 nan 8.300 nan 0.000 0.499 384 Y N 1.149 121.431 120.300 -0.029 0.000 2.331 384 Y HA 0.500 5.050 4.550 -0.001 0.000 0.326 384 Y C -0.629 175.328 175.900 0.095 0.000 1.020 384 Y CA -1.157 56.959 58.100 0.026 0.000 1.136 384 Y CB 1.664 40.139 38.460 0.025 0.000 1.157 384 Y HN 0.492 nan 8.280 nan 0.000 0.444 385 c N 2.791 121.533 118.600 0.236 0.000 2.455 385 c HA 0.377 4.946 4.570 -0.001 0.000 0.320 385 c C 0.121 174.351 174.090 0.234 0.000 1.226 385 c CA -1.279 55.201 56.329 0.252 0.000 1.569 385 c CB 1.332 44.025 42.510 0.305 0.000 2.200 385 c HN 0.773 nan 8.230 nan 0.000 0.491 386 N N 1.444 120.259 118.700 0.193 0.000 2.431 386 N HA 0.032 4.771 4.740 -0.001 0.000 0.265 386 N C 0.817 176.434 175.510 0.179 0.000 1.184 386 N CA 0.251 53.404 53.050 0.172 0.000 0.943 386 N CB 1.005 39.573 38.487 0.135 0.000 1.080 386 N HN 0.872 nan 8.380 nan 0.000 0.477 387 S N 1.171 116.999 115.700 0.214 0.000 2.582 387 S HA 0.044 4.513 4.470 -0.001 0.000 0.234 387 S C 1.349 176.123 174.600 0.290 0.000 0.961 387 S CA -0.369 57.981 58.200 0.250 0.000 0.953 387 S CB 0.051 63.476 63.200 0.375 0.000 0.800 387 S HN 0.470 nan 8.310 nan 0.000 0.471 388 T N 3.193 117.877 114.554 0.217 0.000 2.684 388 T HA -0.198 4.152 4.350 -0.001 0.000 0.267 388 T C 1.821 176.642 174.700 0.201 0.000 1.036 388 T CA 1.940 64.168 62.100 0.212 0.000 1.148 388 T CB -0.365 68.595 68.868 0.153 0.000 0.863 388 T HN 0.569 nan 8.240 nan 0.000 0.436 389 Q N 0.364 120.246 119.800 0.136 0.000 2.135 389 Q HA -0.011 4.328 4.340 -0.001 0.000 0.204 389 Q C 2.416 178.470 176.000 0.090 0.000 0.981 389 Q CA 1.102 56.968 55.803 0.106 0.000 0.856 389 Q CB -0.441 28.333 28.738 0.059 0.000 0.902 389 Q HN 0.477 nan 8.270 nan 0.000 0.425 390 L N -0.730 120.494 121.223 0.002 0.000 2.127 390 L HA -0.137 4.203 4.340 -0.001 0.000 0.211 390 L C 0.582 177.276 176.870 -0.294 0.000 1.089 390 L CA 0.921 55.627 54.840 -0.224 0.000 0.757 390 L CB 0.020 41.728 42.059 -0.585 0.000 0.899 390 L HN 0.183 nan 8.230 nan 0.000 0.434 391 F N -1.304 118.774 119.950 0.214 0.000 2.739 391 F HA 0.242 4.768 4.527 -0.001 0.000 0.345 391 F C 0.077 176.054 175.800 0.295 0.000 1.373 391 F CA -0.305 57.839 58.000 0.241 0.000 1.160 391 F CB 0.526 39.659 39.000 0.222 0.000 1.137 391 F HN -0.315 nan 8.300 nan 0.000 0.524 392 T N 0.052 114.849 114.554 0.405 0.000 3.141 392 T HA 0.200 4.549 4.350 -0.001 0.000 0.377 392 T C -1.529 173.420 174.700 0.414 0.000 1.258 392 T CA -0.409 61.904 62.100 0.354 0.000 1.263 392 T CB 0.394 69.409 68.868 0.245 0.000 1.066 392 T HN 0.384 nan 8.240 nan 0.000 0.546 393 W N 2.930 124.376 121.300 0.244 0.000 3.033 393 W HA 0.616 5.275 4.660 -0.001 0.000 0.336 393 W C -1.622 175.003 176.519 0.177 0.000 1.173 393 W CA -0.592 56.878 57.345 0.209 0.000 1.185 393 W CB 1.394 31.009 29.460 0.258 0.000 1.425 393 W HN 0.207 nan 8.180 nan 0.000 0.536 394 N N 3.601 121.917 118.700 -0.640 0.000 2.319 394 N HA 0.239 4.978 4.740 -0.001 0.000 0.305 394 N C -0.788 173.854 175.510 -1.448 0.000 1.103 394 N CA -0.414 52.220 53.050 -0.693 0.000 0.815 394 N CB 1.819 40.063 38.487 -0.405 0.000 1.288 394 N HN 0.526 nan 8.380 nan 0.000 0.493 413 N N 0.114 118.830 118.700 0.026 0.000 2.417 413 N HA 0.468 5.207 4.740 -0.001 0.000 0.300 413 N C -0.968 174.555 175.510 0.022 0.000 1.102 413 N CA -0.566 52.497 53.050 0.022 0.000 0.886 413 N CB 1.567 40.070 38.487 0.027 0.000 1.203 413 N HN 0.227 nan 8.380 nan 0.000 0.496 414 I N 1.648 122.221 120.570 0.005 0.000 2.328 414 I HA 0.141 4.311 4.170 -0.001 0.000 0.287 414 I C -0.138 175.980 176.117 0.002 0.000 1.012 414 I CA -0.180 61.117 61.300 -0.004 0.000 1.195 414 I CB 1.409 39.379 38.000 -0.050 0.000 1.350 414 I HN 0.340 nan 8.210 nan 0.000 0.464 415 T N 7.800 122.373 114.554 0.032 0.000 2.743 415 T HA 0.495 4.844 4.350 -0.001 0.000 0.292 415 T C -0.081 174.663 174.700 0.073 0.000 0.972 415 T CA -0.346 61.797 62.100 0.073 0.000 0.967 415 T CB 0.395 69.307 68.868 0.073 0.000 0.926 415 T HN 0.274 nan 8.240 nan 0.000 0.459 416 L N 6.479 127.759 121.223 0.094 0.000 2.295 416 L HA 0.407 4.746 4.340 -0.001 0.000 0.285 416 L C -2.244 174.719 176.870 0.156 0.000 1.035 416 L CA -2.494 52.408 54.840 0.104 0.000 0.806 416 L CB 1.351 43.464 42.059 0.091 0.000 1.214 416 L HN 0.304 nan 8.230 nan 0.000 0.426 417 P HA 0.121 nan 4.420 nan 0.000 0.276 417 P C -0.908 176.490 177.300 0.164 0.000 1.264 417 P CA -0.181 63.002 63.100 0.139 0.000 0.769 417 P CB 0.467 32.228 31.700 0.100 0.000 0.840 418 c N 4.103 122.816 118.600 0.188 0.000 2.630 418 c HA 0.771 5.341 4.570 -0.001 0.000 0.346 418 c C 0.216 174.388 174.090 0.136 0.000 1.245 418 c CA -0.471 55.977 56.329 0.198 0.000 1.804 418 c CB 1.895 44.569 42.510 0.273 0.000 2.279 418 c HN 0.549 nan 8.230 nan 0.000 0.498 419 R N 0.631 121.198 120.500 0.111 0.000 2.643 419 R HA 0.651 4.990 4.340 -0.001 0.000 0.269 419 R C -2.041 174.224 176.300 -0.059 0.000 1.037 419 R CA -0.502 55.609 56.100 0.018 0.000 0.894 419 R CB 1.150 31.464 30.300 0.023 0.000 1.238 419 R HN 0.808 nan 8.270 nan 0.000 0.459 420 I N 3.783 124.248 120.570 -0.175 0.000 2.336 420 I HA 0.334 4.503 4.170 -0.001 0.000 0.292 420 I C -0.164 175.889 176.117 -0.106 0.000 0.991 420 I CA -0.580 60.569 61.300 -0.252 0.000 1.227 420 I CB 1.702 39.455 38.000 -0.412 0.000 1.366 420 I HN 0.396 nan 8.210 nan 0.000 0.466 421 K N 4.948 125.334 120.400 -0.023 0.000 2.203 421 K HA 0.387 4.707 4.320 -0.001 0.000 0.251 421 K C -0.199 176.407 176.600 0.010 0.000 0.944 421 K CA -0.692 55.550 56.287 -0.075 0.000 0.829 421 K CB 2.222 34.551 32.500 -0.286 0.000 1.125 421 K HN 0.390 nan 8.250 nan 0.000 0.430 422 Q N 0.554 120.349 119.800 -0.009 0.000 2.373 422 Q HA 0.250 4.589 4.340 -0.001 0.000 0.210 422 Q C -0.051 175.971 176.000 0.037 0.000 0.913 422 Q CA 0.620 56.457 55.803 0.057 0.000 0.911 422 Q CB 0.533 29.300 28.738 0.048 0.000 1.040 422 Q HN 0.480 nan 8.270 nan 0.000 0.521 423 I N 2.300 122.848 120.570 -0.037 0.000 2.339 423 I HA 0.382 4.551 4.170 -0.001 0.000 0.290 423 I C -0.229 175.830 176.117 -0.097 0.000 0.994 423 I CA -0.803 60.468 61.300 -0.048 0.000 1.191 423 I CB 0.909 38.877 38.000 -0.053 0.000 1.343 423 I HN 0.080 nan 8.210 nan 0.000 0.458 424 I N 3.038 123.566 120.570 -0.071 0.000 3.279 424 I HA 0.589 4.759 4.170 -0.001 0.000 0.315 424 I C -1.296 174.825 176.117 0.007 0.000 1.187 424 I CA -1.030 60.237 61.300 -0.054 0.000 0.953 424 I CB 2.372 40.294 38.000 -0.131 0.000 1.279 424 I HN 0.292 nan 8.210 nan 0.000 0.465 425 N N 2.940 121.680 118.700 0.067 0.000 2.456 425 N HA 0.494 5.233 4.740 -0.001 0.000 0.288 425 N C -0.890 174.688 175.510 0.114 0.000 1.059 425 N CA -0.446 52.651 53.050 0.078 0.000 0.946 425 N CB 1.887 40.430 38.487 0.093 0.000 1.150 425 N HN 0.595 nan 8.380 nan 0.000 0.479 426 M N 1.445 121.094 119.600 0.083 0.000 2.242 426 M HA 0.150 4.629 4.480 -0.001 0.000 0.344 426 M C 1.418 177.781 176.300 0.104 0.000 1.140 426 M CA -0.289 55.055 55.300 0.073 0.000 1.160 426 M CB 1.125 33.710 32.600 -0.025 0.000 1.491 426 M HN 0.692 nan 8.290 nan 0.000 0.459 427 W N 0.916 122.243 121.300 0.044 0.000 2.630 427 W HA 0.050 4.709 4.660 -0.001 0.000 0.271 427 W C 0.890 177.421 176.519 0.021 0.000 1.244 427 W CA 0.228 57.582 57.345 0.016 0.000 1.353 427 W CB -0.622 28.820 29.460 -0.031 0.000 1.080 427 W HN 0.611 nan 8.180 nan 0.000 0.594 428 Q N 1.814 121.057 119.800 -0.929 0.000 2.170 428 Q HA -0.112 4.227 4.340 -0.001 0.000 0.203 428 Q C 0.520 176.340 176.000 -0.301 0.000 0.976 428 Q CA 2.073 57.334 55.803 -0.904 0.000 0.858 428 Q CB -0.075 28.039 28.738 -1.039 0.000 0.907 428 Q HN 0.636 nan 8.270 nan 0.000 0.433 429 E N -2.545 117.545 120.200 -0.183 0.000 2.429 429 E HA 0.379 4.729 4.350 -0.001 0.000 0.280 429 E C -1.276 175.306 176.600 -0.029 0.000 1.068 429 E CA -0.865 55.494 56.400 -0.069 0.000 0.837 429 E CB 0.952 30.606 29.700 -0.077 0.000 1.357 429 E HN -0.208 nan 8.360 nan 0.000 0.455 430 V N 0.963 120.875 119.914 -0.003 0.000 2.529 430 V HA 0.542 4.662 4.120 -0.001 0.000 0.292 430 V C 0.727 176.820 176.094 -0.001 0.000 1.028 430 V CA 1.510 63.815 62.300 0.009 0.000 1.074 430 V CB -0.134 31.697 31.823 0.013 0.000 0.958 430 V HN 0.896 nan 8.190 nan 0.000 0.481 431 G N 4.964 113.767 108.800 0.006 0.000 2.336 431 G HA2 0.265 4.224 3.960 -0.001 0.000 0.300 431 G HA3 0.265 4.224 3.960 -0.001 0.000 0.300 431 G C -1.523 173.381 174.900 0.007 0.000 1.375 431 G CA -0.992 44.108 45.100 -0.000 0.000 0.885 431 G HN 0.527 nan 8.290 nan 0.000 0.599 432 K N -0.517 119.882 120.400 -0.001 0.000 2.267 432 K HA 0.833 5.152 4.320 -0.001 0.000 0.246 432 K C -0.279 176.315 176.600 -0.010 0.000 0.954 432 K CA -0.431 55.856 56.287 -0.001 0.000 0.824 432 K CB 2.346 34.841 32.500 -0.008 0.000 1.167 432 K HN 1.046 nan 8.250 nan 0.000 0.431 433 A N 2.175 124.995 122.820 -0.001 0.000 2.498 433 A HA 0.696 5.015 4.320 -0.001 0.000 0.298 433 A C -1.490 176.085 177.584 -0.016 0.000 1.075 433 A CA -0.745 51.278 52.037 -0.024 0.000 0.714 433 A CB 1.633 20.659 19.000 0.043 0.000 1.299 433 A HN 0.748 nan 8.150 nan 0.000 0.407 434 M N 1.775 121.315 119.600 -0.101 0.000 2.259 434 M HA 0.667 5.146 4.480 -0.001 0.000 0.304 434 M C -2.084 174.138 176.300 -0.131 0.000 1.019 434 M CA -0.374 54.903 55.300 -0.037 0.000 0.922 434 M CB 1.343 33.916 32.600 -0.044 0.000 1.600 434 M HN 0.753 nan 8.290 nan 0.000 0.433 435 Y N 1.630 121.931 120.300 0.002 0.000 2.587 435 Y HA 0.767 5.316 4.550 -0.001 0.000 0.337 435 Y C 0.458 176.381 175.900 0.039 0.000 1.065 435 Y CA -0.680 57.452 58.100 0.053 0.000 1.126 435 Y CB 1.615 40.165 38.460 0.150 0.000 1.279 435 Y HN 0.758 nan 8.280 nan 0.000 0.489 436 A N 2.093 125.032 122.820 0.198 0.000 2.406 436 A HA 0.476 4.795 4.320 -0.001 0.000 0.243 436 A C -2.466 175.181 177.584 0.105 0.000 1.082 436 A CA -1.226 50.876 52.037 0.109 0.000 0.786 436 A CB -0.575 18.473 19.000 0.079 0.000 1.029 436 A HN 0.484 nan 8.150 nan 0.000 0.495 437 P HA 0.296 nan 4.420 nan 0.000 0.272 437 P C -2.472 174.845 177.300 0.028 0.000 1.240 437 P CA -0.933 62.188 63.100 0.036 0.000 0.791 437 P CB -0.326 31.385 31.700 0.017 0.000 0.978 438 P HA 0.067 nan 4.420 nan 0.000 0.269 438 P C 0.601 177.902 177.300 0.003 0.000 1.215 438 P CA 0.041 63.139 63.100 -0.003 0.000 0.780 438 P CB 0.221 31.904 31.700 -0.029 0.000 0.898 439 I N 0.546 121.119 120.570 0.004 0.000 3.527 439 I HA 0.016 4.186 4.170 -0.001 0.000 0.210 439 I C 2.260 178.380 176.117 0.004 0.000 1.029 439 I CA 0.237 61.540 61.300 0.005 0.000 1.433 439 I CB -0.789 37.214 38.000 0.005 0.000 1.300 439 I HN 0.059 nan 8.210 nan 0.000 0.418 440 R N 1.981 122.483 120.500 0.004 0.000 2.133 440 R HA -0.010 4.329 4.340 -0.001 0.000 0.245 440 R C 0.707 177.010 176.300 0.005 0.000 1.137 440 R CA 1.507 57.610 56.100 0.005 0.000 0.947 440 R CB -1.201 29.103 30.300 0.007 0.000 0.865 440 R HN 1.067 nan 8.270 nan 0.000 0.437 441 G N -2.682 106.121 108.800 0.005 0.000 2.587 441 G HA2 0.008 3.968 3.960 -0.001 0.000 0.686 441 G HA3 0.008 3.968 3.960 -0.001 0.000 0.686 441 G C -1.295 173.612 174.900 0.012 0.000 1.236 441 G CA -0.203 44.900 45.100 0.005 0.000 0.820 441 G HN 0.429 nan 8.290 nan 0.000 0.645 442 Q N -0.883 118.926 119.800 0.014 0.000 2.461 442 Q HA -0.161 4.178 4.340 -0.001 0.000 0.298 442 Q C 0.966 176.987 176.000 0.035 0.000 1.399 442 Q CA 1.002 56.820 55.803 0.025 0.000 0.778 442 Q CB -1.131 27.621 28.738 0.023 0.000 1.130 442 Q HN 0.923 nan 8.270 nan 0.000 0.407 443 I N 0.548 121.143 120.570 0.042 0.000 2.752 443 I HA 0.122 4.291 4.170 -0.001 0.000 0.287 443 I C 1.044 177.240 176.117 0.132 0.000 1.188 443 I CA 0.907 62.258 61.300 0.086 0.000 1.427 443 I CB 0.341 38.392 38.000 0.085 0.000 1.365 443 I HN 0.253 nan 8.210 nan 0.000 0.585 444 R N 3.964 124.543 120.500 0.131 0.000 2.837 444 R HA 0.705 5.044 4.340 -0.001 0.000 0.271 444 R C -1.841 174.495 176.300 0.060 0.000 0.993 444 R CA -0.434 55.720 56.100 0.090 0.000 0.931 444 R CB 2.198 32.520 30.300 0.036 0.000 1.206 444 R HN 0.783 nan 8.270 nan 0.000 0.474 445 c N 1.303 119.897 118.600 -0.011 0.000 2.931 445 c HA 0.570 5.140 4.570 -0.001 0.000 0.370 445 c C -1.360 172.671 174.090 -0.098 0.000 1.071 445 c CA -0.272 56.004 56.329 -0.089 0.000 1.266 445 c CB 1.624 43.989 42.510 -0.241 0.000 1.691 445 c HN 0.773 nan 8.230 nan 0.000 0.511 446 S N 3.765 119.410 115.700 -0.092 0.000 2.605 446 S HA 0.893 5.362 4.470 -0.001 0.000 0.308 446 S C -0.664 173.871 174.600 -0.108 0.000 1.113 446 S CA -0.161 57.984 58.200 -0.092 0.000 1.049 446 S CB 1.098 64.262 63.200 -0.061 0.000 1.001 446 S HN 0.929 nan 8.310 nan 0.000 0.480 447 S N 3.863 119.480 115.700 -0.139 0.000 2.627 447 S HA 0.554 5.023 4.470 -0.001 0.000 0.283 447 S C -1.271 173.253 174.600 -0.127 0.000 1.127 447 S CA -1.058 57.056 58.200 -0.143 0.000 0.863 447 S CB 1.379 64.446 63.200 -0.223 0.000 1.121 447 S HN 0.749 nan 8.310 nan 0.000 0.479 448 N N 1.644 120.285 118.700 -0.098 0.000 2.469 448 N HA 0.391 5.130 4.740 -0.001 0.000 0.253 448 N C -0.908 174.554 175.510 -0.081 0.000 0.970 448 N CA -0.244 52.761 53.050 -0.075 0.000 0.940 448 N CB 1.040 39.502 38.487 -0.041 0.000 1.128 448 N HN 0.534 nan 8.380 nan 0.000 0.503 449 I N 1.997 122.510 120.570 -0.095 0.000 2.505 449 I HA -0.041 4.129 4.170 -0.001 0.000 0.287 449 I C 1.617 177.723 176.117 -0.019 0.000 1.104 449 I CA 0.382 61.630 61.300 -0.086 0.000 1.387 449 I CB 0.320 38.254 38.000 -0.110 0.000 1.404 449 I HN 0.535 nan 8.210 nan 0.000 0.528 450 T N 1.001 115.548 114.554 -0.011 0.000 3.010 450 T HA 0.433 4.783 4.350 -0.001 0.000 0.257 450 T C 0.514 175.222 174.700 0.014 0.000 1.020 450 T CA -0.015 62.089 62.100 0.007 0.000 0.938 450 T CB 0.646 69.525 68.868 0.017 0.000 1.049 450 T HN 0.714 nan 8.240 nan 0.000 0.522 451 G N 0.524 109.334 108.800 0.017 0.000 2.548 451 G HA2 0.606 4.565 3.960 -0.001 0.000 0.301 451 G HA3 0.606 4.565 3.960 -0.001 0.000 0.301 451 G C -2.529 172.396 174.900 0.041 0.000 1.349 451 G CA -0.907 44.206 45.100 0.021 0.000 0.792 451 G HN 0.261 nan 8.290 nan 0.000 0.481 452 L N -1.215 120.037 121.223 0.049 0.000 2.568 452 L HA 0.658 4.998 4.340 -0.001 0.000 0.257 452 L C -0.804 176.106 176.870 0.065 0.000 1.024 452 L CA -0.464 54.427 54.840 0.085 0.000 0.854 452 L CB 2.248 44.399 42.059 0.153 0.000 1.460 452 L HN 0.482 nan 8.230 nan 0.000 0.409 453 L N 2.589 123.850 121.223 0.063 0.000 2.342 453 L HA 0.638 4.978 4.340 -0.001 0.000 0.276 453 L C -1.060 175.844 176.870 0.056 0.000 0.997 453 L CA -0.281 54.587 54.840 0.047 0.000 0.838 453 L CB 1.348 43.415 42.059 0.013 0.000 1.224 453 L HN 0.374 nan 8.230 nan 0.000 0.416 454 L N 2.357 123.639 121.223 0.099 0.000 2.322 454 L HA 0.761 5.100 4.340 -0.001 0.000 0.269 454 L C 0.149 177.109 176.870 0.150 0.000 1.012 454 L CA -0.609 54.321 54.840 0.149 0.000 0.815 454 L CB 2.392 44.607 42.059 0.260 0.000 1.295 454 L HN 0.547 nan 8.230 nan 0.000 0.438 455 T N -1.447 113.202 114.554 0.157 0.000 2.893 455 T HA 0.562 4.912 4.350 -0.001 0.000 0.291 455 T C -0.700 174.051 174.700 0.084 0.000 1.028 455 T CA -0.928 61.229 62.100 0.095 0.000 0.995 455 T CB 2.318 71.196 68.868 0.017 0.000 1.051 455 T HN 0.595 nan 8.240 nan 0.000 0.470 456 R N 1.270 121.755 120.500 -0.025 0.000 2.387 456 R HA 0.399 4.738 4.340 -0.001 0.000 0.314 456 R C -1.144 174.996 176.300 -0.267 0.000 0.958 456 R CA -0.574 55.337 56.100 -0.315 0.000 0.846 456 R CB 0.706 30.801 30.300 -0.341 0.000 1.147 456 R HN 0.648 nan 8.270 nan 0.000 0.447 457 D N 2.614 122.819 120.400 -0.326 0.000 2.487 457 D HA 0.065 4.704 4.640 -0.001 0.000 0.243 457 D C 0.198 176.382 176.300 -0.192 0.000 1.154 457 D CA 0.826 54.698 54.000 -0.214 0.000 0.876 457 D CB 1.030 41.707 40.800 -0.206 0.000 1.161 457 D HN 0.652 nan 8.370 nan 0.000 0.478 458 G N 1.890 110.615 108.800 -0.125 0.000 2.254 458 G HA2 0.406 4.366 3.960 -0.001 0.000 0.253 458 G HA3 0.406 4.366 3.960 -0.001 0.000 0.253 458 G C 0.422 175.260 174.900 -0.103 0.000 1.246 458 G CA -0.459 44.581 45.100 -0.099 0.000 0.946 458 G HN 0.446 nan 8.290 nan 0.000 0.474 459 G N 2.054 110.792 108.800 -0.104 0.000 2.866 459 G HA2 0.411 4.370 3.960 -0.001 0.000 0.318 459 G HA3 0.411 4.370 3.960 -0.001 0.000 0.318 459 G C 0.521 175.383 174.900 -0.064 0.000 1.336 459 G CA -0.516 44.526 45.100 -0.095 0.000 1.067 459 G HN 0.566 nan 8.290 nan 0.000 0.515 460 K N 1.495 121.865 120.400 -0.050 0.000 2.314 460 K HA 0.052 4.371 4.320 -0.001 0.000 0.198 460 K C 0.612 177.191 176.600 -0.035 0.000 1.045 460 K CA 0.136 56.402 56.287 -0.035 0.000 0.988 460 K CB 0.265 32.747 32.500 -0.029 0.000 0.783 460 K HN 0.452 nan 8.250 nan 0.000 0.484 461 D N 2.122 122.496 120.400 -0.043 0.000 2.363 461 D HA -0.038 4.601 4.640 -0.001 0.000 0.263 461 D C -0.367 175.908 176.300 -0.041 0.000 1.258 461 D CA 0.443 54.419 54.000 -0.040 0.000 0.907 461 D CB 0.866 41.639 40.800 -0.046 0.000 1.107 461 D HN 0.256 nan 8.370 nan 0.000 0.495 462 T N 0.512 115.048 114.554 -0.031 0.000 2.738 462 T HA 0.267 4.617 4.350 -0.001 0.000 0.293 462 T C 0.511 175.193 174.700 -0.029 0.000 0.913 462 T CA -0.769 61.315 62.100 -0.028 0.000 1.103 462 T CB 0.117 68.973 68.868 -0.019 0.000 0.880 462 T HN 0.403 nan 8.240 nan 0.000 0.526 463 N N 1.190 119.870 118.700 -0.034 0.000 2.036 463 N HA 0.237 4.977 4.740 -0.001 0.000 0.224 463 N C 1.117 176.607 175.510 -0.033 0.000 1.381 463 N CA -0.247 52.782 53.050 -0.034 0.000 0.746 463 N CB -0.248 38.214 38.487 -0.041 0.000 1.213 463 N HN 0.966 nan 8.380 nan 0.000 0.524 464 G N 0.053 108.835 108.800 -0.029 0.000 2.296 464 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.282 464 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.282 464 G C -0.027 174.854 174.900 -0.030 0.000 1.014 464 G CA 1.112 46.200 45.100 -0.021 0.000 0.812 464 G HN 0.870 nan 8.290 nan 0.000 0.508 465 T N -1.296 113.224 114.554 -0.055 0.000 2.893 465 T HA 0.606 4.955 4.350 -0.001 0.000 0.293 465 T C -1.139 173.479 174.700 -0.137 0.000 1.027 465 T CA -0.638 61.419 62.100 -0.073 0.000 0.988 465 T CB 1.920 70.747 68.868 -0.068 0.000 1.043 465 T HN 0.079 nan 8.240 nan 0.000 0.461 466 E N 3.604 123.707 120.200 -0.162 0.000 2.199 466 E HA 0.518 4.867 4.350 -0.001 0.000 0.269 466 E C -0.505 175.827 176.600 -0.447 0.000 0.899 466 E CA -0.595 55.578 56.400 -0.377 0.000 0.772 466 E CB 2.060 31.526 29.700 -0.390 0.000 1.155 466 E HN 0.674 nan 8.360 nan 0.000 0.408 467 I N 2.562 122.734 120.570 -0.663 0.000 2.441 467 I HA 0.431 4.600 4.170 -0.001 0.000 0.295 467 I C -0.618 175.030 176.117 -0.781 0.000 0.994 467 I CA -0.800 60.213 61.300 -0.479 0.000 1.144 467 I CB 0.836 38.687 38.000 -0.249 0.000 1.314 467 I HN 0.265 nan 8.210 nan 0.000 0.445 468 F N 4.331 124.224 119.950 -0.096 0.000 2.540 468 F HA 0.640 5.166 4.527 -0.001 0.000 0.317 468 F C 0.095 175.982 175.800 0.145 0.000 1.104 468 F CA -0.676 57.335 58.000 0.017 0.000 0.913 468 F CB 1.745 40.775 39.000 0.051 0.000 1.170 468 F HN 0.278 nan 8.300 nan 0.000 0.450 469 R N 1.615 122.239 120.500 0.207 0.000 2.888 469 R HA 0.565 4.904 4.340 -0.001 0.000 0.266 469 R C -2.915 173.327 176.300 -0.098 0.000 1.020 469 R CA -2.282 53.849 56.100 0.052 0.000 0.963 469 R CB 1.572 31.871 30.300 -0.002 0.000 1.197 469 R HN 0.239 nan 8.270 nan 0.000 0.481 470 P HA 0.060 nan 4.420 nan 0.000 0.268 470 P C -0.494 176.706 177.300 -0.168 0.000 1.204 470 P CA 0.197 63.013 63.100 -0.474 0.000 0.768 470 P CB 0.881 32.148 31.700 -0.721 0.000 0.842 471 G N 0.877 109.626 108.800 -0.085 0.000 3.212 471 G HA2 0.769 4.728 3.960 -0.001 0.000 0.188 471 G HA3 0.769 4.728 3.960 -0.001 0.000 0.188 471 G C -0.260 174.628 174.900 -0.021 0.000 1.254 471 G CA -0.606 44.475 45.100 -0.033 0.000 0.957 471 G HN 0.794 nan 8.290 nan 0.000 0.596 472 G N -3.312 105.478 108.800 -0.016 0.000 2.541 472 G HA2 0.502 4.461 3.960 -0.001 0.000 0.686 472 G HA3 0.502 4.461 3.960 -0.001 0.000 0.686 472 G C 0.550 175.439 174.900 -0.018 0.000 1.286 472 G CA 0.710 45.794 45.100 -0.027 0.000 0.894 472 G HN 2.466 nan 8.290 nan 0.000 0.575 473 G N -0.664 108.117 108.800 -0.032 0.000 3.736 473 G HA2 0.050 4.010 3.960 -0.001 0.000 0.196 473 G HA3 0.050 4.010 3.960 -0.001 0.000 0.196 473 G C 0.054 174.957 174.900 0.005 0.000 1.811 473 G CA 0.981 46.084 45.100 0.006 0.000 1.175 473 G HN 1.511 nan 8.290 nan 0.000 0.429 474 D N 2.264 122.649 120.400 -0.025 0.000 2.344 474 D HA 0.343 4.982 4.640 -0.001 0.000 0.253 474 D C 1.839 178.037 176.300 -0.170 0.000 1.255 474 D CA -0.402 53.573 54.000 -0.042 0.000 0.894 474 D CB 0.653 41.420 40.800 -0.054 0.000 1.067 474 D HN 0.085 nan 8.370 nan 0.000 0.492 475 M N 3.341 122.833 119.600 -0.179 0.000 2.629 475 M HA -0.079 4.401 4.480 -0.001 0.000 0.257 475 M C 1.693 177.368 176.300 -1.042 0.000 1.071 475 M CA 0.751 55.695 55.300 -0.593 0.000 1.077 475 M CB -0.579 31.685 32.600 -0.560 0.000 1.423 475 M HN 0.378 nan 8.290 nan 0.000 0.508 476 R N 0.131 120.269 120.500 -0.602 0.000 2.115 476 R HA -0.125 4.214 4.340 -0.001 0.000 0.230 476 R C 1.506 177.603 176.300 -0.338 0.000 1.111 476 R CA 1.004 56.824 56.100 -0.467 0.000 0.976 476 R CB -0.168 29.988 30.300 -0.239 0.000 0.870 476 R HN 0.376 nan 8.270 nan 0.000 0.445 477 D N 0.221 120.458 120.400 -0.272 0.000 2.219 477 D HA -0.106 4.533 4.640 -0.001 0.000 0.205 477 D C 1.291 177.472 176.300 -0.199 0.000 0.970 477 D CA 0.913 54.833 54.000 -0.133 0.000 0.851 477 D CB -0.218 40.553 40.800 -0.047 0.000 0.943 477 D HN 0.336 nan 8.370 nan 0.000 0.488 478 N N -0.105 118.326 118.700 -0.448 0.000 2.188 478 N HA -0.128 4.611 4.740 -0.001 0.000 0.184 478 N C 1.857 177.310 175.510 -0.095 0.000 1.018 478 N CA 0.752 53.553 53.050 -0.414 0.000 0.858 478 N CB -0.152 37.839 38.487 -0.826 0.000 0.989 478 N HN 0.408 nan 8.380 nan 0.000 0.426 479 W N 1.541 122.859 121.300 0.030 0.000 2.418 479 W HA 0.070 4.729 4.660 -0.001 0.000 0.292 479 W C 2.398 178.951 176.519 0.056 0.000 1.213 479 W CA -0.464 56.913 57.345 0.053 0.000 1.283 479 W CB -0.109 29.384 29.460 0.054 0.000 1.119 479 W HN -0.051 nan 8.180 nan 0.000 0.542 480 R N 0.945 121.551 120.500 0.177 0.000 2.120 480 R HA -0.149 4.191 4.340 -0.001 0.000 0.234 480 R C 2.360 178.732 176.300 0.119 0.000 1.123 480 R CA 1.822 57.960 56.100 0.063 0.000 0.975 480 R CB -0.868 29.344 30.300 -0.147 0.000 0.866 480 R HN 0.186 nan 8.270 nan 0.000 0.446 481 S N 0.671 116.435 115.700 0.108 0.000 2.440 481 S HA -0.118 4.352 4.470 -0.001 0.000 0.238 481 S C 1.533 176.341 174.600 0.347 0.000 1.010 481 S CA 1.005 59.287 58.200 0.137 0.000 0.972 481 S CB 0.021 63.267 63.200 0.077 0.000 0.774 481 S HN 0.252 nan 8.310 nan 0.000 0.501 482 E N 0.850 121.268 120.200 0.363 0.000 2.290 482 E HA 0.295 4.644 4.350 -0.001 0.000 0.197 482 E C 1.695 178.557 176.600 0.438 0.000 0.948 482 E CA 0.328 56.986 56.400 0.431 0.000 0.895 482 E CB -0.037 29.895 29.700 0.387 0.000 0.865 482 E HN 0.537 nan 8.360 nan 0.000 0.486 483 L N 1.105 122.539 121.223 0.352 0.000 2.607 483 L HA 0.081 4.420 4.340 -0.001 0.000 0.228 483 L C 2.084 179.087 176.870 0.221 0.000 1.123 483 L CA -0.074 54.976 54.840 0.351 0.000 0.890 483 L CB -0.415 41.782 42.059 0.229 0.000 1.103 483 L HN 0.128 nan 8.230 nan 0.000 0.468 484 Y N 1.581 121.936 120.300 0.092 0.000 2.241 484 Y HA -0.263 4.286 4.550 -0.001 0.000 0.286 484 Y C 2.099 178.046 175.900 0.079 0.000 1.166 484 Y CA 1.442 59.532 58.100 -0.017 0.000 1.203 484 Y CB -0.724 37.645 38.460 -0.151 0.000 0.977 484 Y HN 0.221 nan 8.280 nan 0.000 0.529 485 K N -0.887 119.032 120.400 -0.801 0.000 2.417 485 K HA 0.158 4.478 4.320 -0.001 0.000 0.196 485 K C -1.093 175.239 176.600 -0.446 0.000 1.023 485 K CA -0.209 55.689 56.287 -0.648 0.000 1.122 485 K CB -0.292 31.602 32.500 -1.010 0.000 0.850 485 K HN 0.353 nan 8.250 nan 0.000 0.521 486 Y N 1.293 121.650 120.300 0.096 0.000 2.487 486 Y HA 0.443 4.993 4.550 -0.001 0.000 0.337 486 Y C -0.369 175.691 175.900 0.265 0.000 1.076 486 Y CA -1.115 57.108 58.100 0.204 0.000 1.115 486 Y CB 1.971 40.484 38.460 0.087 0.000 1.235 486 Y HN -0.148 nan 8.280 nan 0.000 0.468 487 K N 1.385 121.997 120.400 0.353 0.000 2.565 487 K HA 0.552 4.871 4.320 -0.001 0.000 0.251 487 K C -2.261 174.361 176.600 0.038 0.000 0.956 487 K CA -0.698 55.623 56.287 0.058 0.000 0.809 487 K CB 2.356 34.618 32.500 -0.397 0.000 1.267 487 K HN 0.581 nan 8.250 nan 0.000 0.438 488 V N 4.861 124.792 119.914 0.028 0.000 2.481 488 V HA 0.692 4.812 4.120 -0.001 0.000 0.286 488 V C -1.104 175.036 176.094 0.077 0.000 1.042 488 V CA -0.238 62.098 62.300 0.060 0.000 0.928 488 V CB 1.468 33.318 31.823 0.044 0.000 0.986 488 V HN 0.574 nan 8.190 nan 0.000 0.462 489 V N 6.319 126.301 119.914 0.113 0.000 3.078 489 V HA 0.536 4.655 4.120 -0.001 0.000 0.311 489 V C -0.329 175.802 176.094 0.061 0.000 1.138 489 V CA -1.079 61.271 62.300 0.083 0.000 1.007 489 V CB 2.222 34.036 31.823 -0.015 0.000 1.045 489 V HN 1.065 nan 8.190 nan 0.000 0.432 490 K N 4.412 124.752 120.400 -0.099 0.000 2.350 490 K HA 0.330 4.650 4.320 -0.001 0.000 0.279 490 K C -0.340 176.088 176.600 -0.286 0.000 1.027 490 K CA -0.318 55.685 56.287 -0.473 0.000 0.969 490 K CB 0.493 32.735 32.500 -0.430 0.000 0.954 490 K HN 0.685 nan 8.250 nan 0.000 0.474 491 I N 5.866 126.247 120.570 -0.316 0.000 2.471 491 I HA -0.076 4.093 4.170 -0.001 0.000 0.294 491 I C 0.653 176.681 176.117 -0.148 0.000 1.123 491 I CA 0.316 61.516 61.300 -0.167 0.000 1.336 491 I CB -0.121 37.802 38.000 -0.129 0.000 1.430 491 I HN 0.681 nan 8.210 nan 0.000 0.533 492 E N 0.000 120.137 120.200 -0.106 0.000 2.725 492 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 492 E CA 0.000 56.350 56.400 -0.083 0.000 0.976 492 E CB 0.000 29.655 29.700 -0.074 0.000 0.812 492 E HN 0.000 nan 8.360 nan 0.000 0.440