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 3idy_1_G DATA FIRST_RESID 83 DATA SEQUENCE EVVLVNVTEN FNWcKNDMVE QMHEDIcSLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNNKT DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSSQLLLN GSLAEEEVVI RScNFTDNAK DATA SEQUENCE TIIVQLNTSV EINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE IARAKWNNTL KQIASKLREQ FGNNKTIIFK QSSGGDPEIV THWFNcGGEF DATA SEQUENCE FYcNSTQLFN STWFNSXXXX XXXXXXXGSD TITLPcRIKQ IINMWcKVGK DATA SEQUENCE MMYAPPISGQ IRcSSNITGL LLTRDGGNSN NESEIFRPGG 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 0.000 176.616 176.600 0.027 0.000 1.382 83 E CA 0.000 56.420 56.400 0.033 0.000 0.976 83 E CB 0.000 29.721 29.700 0.035 0.000 0.812 84 V N 1.310 121.243 119.914 0.031 0.000 2.340 84 V HA 0.565 4.686 4.120 0.001 0.000 0.277 84 V C 0.058 176.167 176.094 0.025 0.000 1.017 84 V CA -0.981 61.334 62.300 0.024 0.000 0.820 84 V CB 1.499 33.335 31.823 0.021 0.000 1.028 84 V HN 0.075 nan 8.190 nan 0.000 0.436 85 V N 7.060 126.986 119.914 0.019 0.000 2.446 85 V HA 0.349 4.469 4.120 0.001 0.000 0.276 85 V C 0.234 176.334 176.094 0.010 0.000 1.030 85 V CA 0.084 62.394 62.300 0.016 0.000 1.033 85 V CB 0.739 32.569 31.823 0.011 0.000 0.993 85 V HN 0.767 nan 8.190 nan 0.000 0.477 86 L N 7.621 128.851 121.223 0.011 0.000 2.499 86 L HA 0.212 4.552 4.340 0.001 0.000 0.273 86 L C 0.215 177.082 176.870 -0.004 0.000 1.195 86 L CA 0.781 55.623 54.840 0.002 0.000 0.882 86 L CB 1.125 43.184 42.059 -0.000 0.000 1.133 86 L HN 0.681 nan 8.230 nan 0.000 0.483 87 V N 1.308 121.218 119.914 -0.006 0.000 2.383 87 V HA 0.435 4.556 4.120 0.001 0.000 0.275 87 V C 0.962 177.049 176.094 -0.012 0.000 1.036 87 V CA -0.613 61.682 62.300 -0.008 0.000 0.889 87 V CB 0.919 32.738 31.823 -0.006 0.000 0.985 87 V HN 0.921 nan 8.190 nan 0.000 0.459 88 N N 1.113 119.805 118.700 -0.014 0.000 2.946 88 N HA -0.172 4.568 4.740 0.001 0.000 0.228 88 N C 0.280 175.777 175.510 -0.022 0.000 0.873 88 N CA 1.252 54.292 53.050 -0.016 0.000 1.029 88 N CB -0.363 38.116 38.487 -0.013 0.000 1.047 88 N HN 0.656 nan 8.380 nan 0.000 0.612 89 V N 1.769 121.669 119.914 -0.025 0.000 2.614 89 V HA 0.288 4.408 4.120 0.001 0.000 0.291 89 V C 0.775 176.838 176.094 -0.050 0.000 1.049 89 V CA 0.491 62.771 62.300 -0.034 0.000 1.038 89 V CB 1.440 33.244 31.823 -0.032 0.000 0.980 89 V HN 0.314 nan 8.190 nan 0.000 0.481 90 T N 1.849 116.365 114.554 -0.064 0.000 2.841 90 T HA 0.677 5.027 4.350 0.001 0.000 0.283 90 T C -0.717 173.902 174.700 -0.135 0.000 1.000 90 T CA -0.834 61.209 62.100 -0.094 0.000 0.977 90 T CB 2.285 71.111 68.868 -0.070 0.000 0.979 90 T HN 0.572 nan 8.240 nan 0.000 0.446 91 E N 1.635 121.693 120.200 -0.237 0.000 2.339 91 E HA 0.427 4.777 4.350 0.001 0.000 0.262 91 E C -0.750 175.605 176.600 -0.410 0.000 0.934 91 E CA -1.032 55.173 56.400 -0.324 0.000 0.802 91 E CB 1.791 31.233 29.700 -0.431 0.000 1.275 91 E HN 0.591 nan 8.360 nan 0.000 0.427 92 N N 0.930 119.426 118.700 -0.339 0.000 2.425 92 N HA 0.334 5.075 4.740 0.001 0.000 0.268 92 N C -1.111 174.276 175.510 -0.205 0.000 0.991 92 N CA -0.082 52.848 53.050 -0.201 0.000 0.931 92 N CB 0.466 38.925 38.487 -0.046 0.000 1.130 92 N HN 0.230 nan 8.380 nan 0.000 0.493 93 F N 1.019 121.080 119.950 0.186 0.000 2.458 93 F HA 0.383 4.911 4.527 0.001 0.000 0.330 93 F C 0.789 176.762 175.800 0.288 0.000 1.082 93 F CA -0.940 57.216 58.000 0.260 0.000 0.995 93 F CB 1.501 40.739 39.000 0.397 0.000 1.170 93 F HN 0.289 nan 8.300 nan 0.000 0.478 94 N N 2.459 121.466 118.700 0.512 0.000 2.701 94 N HA 0.052 4.793 4.740 0.001 0.000 0.258 94 N C 0.079 175.833 175.510 0.407 0.000 1.262 94 N CA -0.735 52.560 53.050 0.408 0.000 0.780 94 N CB 0.421 39.057 38.487 0.248 0.000 1.380 94 N HN 0.665 nan 8.380 nan 0.000 0.548 95 W N 1.656 123.042 121.300 0.144 0.000 2.465 95 W HA 0.106 4.767 4.660 0.002 0.000 0.268 95 W C 0.404 176.968 176.519 0.075 0.000 1.242 95 W CA 0.130 57.540 57.345 0.109 0.000 1.248 95 W CB -1.478 28.046 29.460 0.106 0.000 1.118 95 W HN 0.410 nan 8.180 nan 0.000 0.587 96 c N 1.327 119.711 118.600 -0.361 0.000 2.576 96 c HA 0.171 4.742 4.570 0.001 0.000 0.267 96 c C 1.062 175.063 174.090 -0.148 0.000 1.364 96 c CA 0.434 56.508 56.329 -0.425 0.000 1.723 96 c CB -1.511 40.695 42.510 -0.507 0.000 1.778 96 c HN 0.128 nan 8.230 nan 0.000 0.572 97 K N 1.653 122.039 120.400 -0.025 0.000 3.029 97 K HA 0.160 4.480 4.320 0.001 0.000 0.169 97 K C -0.766 175.870 176.600 0.060 0.000 1.090 97 K CA 0.036 56.333 56.287 0.016 0.000 0.883 97 K CB 0.126 32.648 32.500 0.036 0.000 1.080 97 K HN 0.087 nan 8.250 nan 0.000 0.613 98 N N 1.431 120.160 118.700 0.048 0.000 2.531 98 N HA 0.064 4.804 4.740 0.001 0.000 0.268 98 N C -0.214 175.300 175.510 0.006 0.000 1.023 98 N CA -0.288 52.801 53.050 0.065 0.000 0.896 98 N CB 1.716 40.277 38.487 0.123 0.000 1.233 98 N HN 0.167 nan 8.380 nan 0.000 0.512 99 D N 3.106 123.499 120.400 -0.011 0.000 2.310 99 D HA -0.003 4.637 4.640 0.001 0.000 0.212 99 D C 1.730 177.963 176.300 -0.112 0.000 0.965 99 D CA 1.159 55.133 54.000 -0.044 0.000 0.879 99 D CB 0.298 41.082 40.800 -0.028 0.000 0.921 99 D HN 0.613 nan 8.370 nan 0.000 0.510 100 M N -0.725 118.763 119.600 -0.187 0.000 2.073 100 M HA -0.203 4.278 4.480 0.001 0.000 0.258 100 M C 2.186 178.316 176.300 -0.283 0.000 1.070 100 M CA 1.087 56.152 55.300 -0.392 0.000 1.103 100 M CB -0.471 31.830 32.600 -0.498 0.000 1.321 100 M HN -0.031 nan 8.290 nan 0.000 0.405 101 V N 0.354 120.179 119.914 -0.148 0.000 2.252 101 V HA -0.283 3.838 4.120 0.001 0.000 0.249 101 V C 2.238 178.241 176.094 -0.151 0.000 1.056 101 V CA 2.198 64.437 62.300 -0.101 0.000 1.022 101 V CB -0.725 31.114 31.823 0.026 0.000 0.641 101 V HN 0.408 nan 8.190 nan 0.000 0.445 102 E N -0.154 119.997 120.200 -0.081 0.000 2.031 102 E HA -0.216 4.134 4.350 0.001 0.000 0.193 102 E C 2.320 178.868 176.600 -0.087 0.000 0.994 102 E CA 1.525 57.906 56.400 -0.032 0.000 0.800 102 E CB -0.327 29.366 29.700 -0.013 0.000 0.752 102 E HN 0.693 nan 8.360 nan 0.000 0.447 103 Q N -0.480 119.249 119.800 -0.119 0.000 1.975 103 Q HA -0.154 4.186 4.340 0.001 0.000 0.205 103 Q C 2.154 178.026 176.000 -0.214 0.000 0.990 103 Q CA 1.486 57.221 55.803 -0.113 0.000 0.845 103 Q CB -0.267 28.453 28.738 -0.030 0.000 0.913 103 Q HN 0.262 nan 8.270 nan 0.000 0.420 104 M N 0.098 119.491 119.600 -0.346 0.000 2.255 104 M HA -0.240 4.241 4.480 0.001 0.000 0.259 104 M C 2.025 177.763 176.300 -0.937 0.000 1.071 104 M CA 1.653 56.551 55.300 -0.670 0.000 1.074 104 M CB -1.019 31.009 32.600 -0.953 0.000 1.384 104 M HN 0.425 nan 8.290 nan 0.000 0.415 105 H N -0.559 118.021 119.070 -0.817 0.000 2.399 105 H HA -0.062 4.495 4.556 0.002 0.000 0.300 105 H C 1.617 176.854 175.328 -0.152 0.000 1.048 105 H CA 1.178 56.909 56.048 -0.529 0.000 1.370 105 H CB 0.447 30.031 29.762 -0.298 0.000 1.428 105 H HN 0.316 nan 8.280 nan 0.000 0.534 106 E N 0.851 120.868 120.200 -0.305 0.000 2.015 106 E HA -0.085 4.265 4.350 0.001 0.000 0.191 106 E C 0.618 177.127 176.600 -0.152 0.000 0.991 106 E CA 1.197 57.442 56.400 -0.259 0.000 0.802 106 E CB 0.113 29.722 29.700 -0.151 0.000 0.759 106 E HN 0.515 nan 8.360 nan 0.000 0.447 107 D N -0.336 119.990 120.400 -0.123 0.000 2.348 107 D HA 0.126 4.766 4.640 0.001 0.000 0.272 107 D C 0.393 176.663 176.300 -0.050 0.000 1.237 107 D CA -0.157 53.800 54.000 -0.072 0.000 1.042 107 D CB 0.343 41.102 40.800 -0.068 0.000 1.117 107 D HN -0.070 nan 8.370 nan 0.000 0.548 108 I N -0.518 120.044 120.570 -0.012 0.000 7.870 108 I HA -0.242 3.929 4.170 0.001 0.000 0.126 108 I C -0.499 175.690 176.117 0.119 0.000 1.847 108 I CA -0.146 61.182 61.300 0.047 0.000 2.037 108 I CB -1.638 36.391 38.000 0.049 0.000 3.728 108 I HN 0.444 nan 8.210 nan 0.000 0.169 109 c N 4.753 123.411 118.600 0.097 0.000 2.803 109 c HA 0.573 5.144 4.570 0.001 0.000 0.389 109 c C 1.979 176.092 174.090 0.038 0.000 1.433 109 c CA -0.048 56.353 56.329 0.120 0.000 1.714 109 c CB 1.735 44.339 42.510 0.157 0.000 2.106 109 c HN 0.915 nan 8.230 nan 0.000 0.480 110 S N -0.601 115.078 115.700 -0.035 0.000 2.356 110 S HA 0.222 4.693 4.470 0.001 0.000 0.219 110 S C 0.036 174.312 174.600 -0.540 0.000 1.036 110 S CA 0.488 58.463 58.200 -0.376 0.000 0.965 110 S CB -0.435 62.351 63.200 -0.691 0.000 0.864 110 S HN 0.617 nan 8.310 nan 0.000 0.471 111 L N 0.810 121.829 121.223 -0.340 0.000 2.619 111 L HA -0.173 4.168 4.340 0.001 0.000 0.533 111 L C -1.167 175.536 176.870 -0.278 0.000 1.002 111 L CA 0.083 54.861 54.840 -0.104 0.000 1.266 111 L CB -0.644 41.337 42.059 -0.130 0.000 1.549 111 L HN 0.477 nan 8.230 nan 0.000 0.778 112 W N 2.949 124.398 121.300 0.249 0.000 2.736 112 W HA 0.519 5.179 4.660 0.000 0.000 0.335 112 W C -0.012 176.672 176.519 0.274 0.000 1.059 112 W CA -0.326 57.168 57.345 0.249 0.000 1.226 112 W CB 2.088 31.731 29.460 0.305 0.000 1.416 112 W HN 0.447 nan 8.180 nan 0.000 0.505 113 D N 1.014 121.610 120.400 0.327 0.000 2.340 113 D HA 0.203 4.844 4.640 0.001 0.000 0.240 113 D C -0.314 175.893 176.300 -0.155 0.000 1.001 113 D CA -0.322 53.742 54.000 0.107 0.000 0.888 113 D CB 1.645 42.465 40.800 0.034 0.000 1.310 113 D HN 0.192 nan 8.370 nan 0.000 0.474 114 Q N 0.632 120.162 119.800 -0.450 0.000 2.361 114 Q HA 0.346 4.687 4.340 0.001 0.000 0.276 114 Q C -0.692 175.140 176.000 -0.280 0.000 1.022 114 Q CA 0.217 55.630 55.803 -0.650 0.000 0.898 114 Q CB 1.029 29.431 28.738 -0.560 0.000 1.246 114 Q HN 0.177 nan 8.270 nan 0.000 0.410 115 S N 2.196 117.763 115.700 -0.221 0.000 2.619 115 S HA 0.474 4.944 4.470 0.001 0.000 0.280 115 S C -1.144 173.409 174.600 -0.078 0.000 1.150 115 S CA -0.672 57.466 58.200 -0.104 0.000 0.978 115 S CB 0.656 63.826 63.200 -0.051 0.000 1.041 115 S HN 0.474 nan 8.310 nan 0.000 0.485 116 L N 5.049 126.238 121.223 -0.057 0.000 2.272 116 L HA 0.550 4.891 4.340 0.001 0.000 0.289 116 L C -0.115 176.741 176.870 -0.023 0.000 1.032 116 L CA -0.427 54.390 54.840 -0.038 0.000 0.810 116 L CB 1.360 43.398 42.059 -0.035 0.000 1.205 116 L HN 0.560 nan 8.230 nan 0.000 0.422 117 K N 4.435 124.826 120.400 -0.015 0.000 2.606 117 K HA 0.374 4.695 4.320 0.001 0.000 0.196 117 K C -2.516 174.080 176.600 -0.006 0.000 1.048 117 K CA -1.604 54.678 56.287 -0.008 0.000 1.017 117 K CB 0.888 33.386 32.500 -0.004 0.000 1.413 117 K HN 0.270 nan 8.250 nan 0.000 0.568 118 P HA 0.211 nan 4.420 nan 0.000 0.282 118 P C -0.258 177.040 177.300 -0.003 0.000 1.249 118 P CA -0.668 62.429 63.100 -0.005 0.000 0.806 118 P CB 0.664 32.361 31.700 -0.006 0.000 0.984 119 c N 0.686 119.285 118.600 -0.001 0.000 2.779 119 c HA 0.880 5.451 4.570 0.001 0.000 0.314 119 c C -0.054 174.036 174.090 -0.000 0.000 1.231 119 c CA -1.072 55.256 56.329 -0.000 0.000 1.652 119 c CB 1.221 43.731 42.510 0.001 0.000 2.198 119 c HN 0.544 nan 8.230 nan 0.000 0.483 120 V N 0.155 120.069 119.914 0.000 0.000 2.555 120 V HA 0.708 4.828 4.120 0.001 0.000 0.302 120 V C -0.741 175.354 176.094 0.001 0.000 1.038 120 V CA -0.474 61.827 62.300 0.000 0.000 0.887 120 V CB 1.461 33.284 31.823 -0.000 0.000 0.991 120 V HN 1.018 nan 8.190 nan 0.000 0.434 121 K N 5.497 125.898 120.400 0.001 0.000 2.164 121 K HA 0.787 5.108 4.320 0.001 0.000 0.258 121 K C -0.963 175.638 176.600 0.002 0.000 0.951 121 K CA -0.703 55.585 56.287 0.002 0.000 0.844 121 K CB 2.268 34.770 32.500 0.002 0.000 1.099 121 K HN 0.920 nan 8.250 nan 0.000 0.435 122 L N -0.765 120.459 121.223 0.002 0.000 2.409 122 L HA 0.622 4.962 4.340 0.001 0.000 0.272 122 L C -0.604 176.267 176.870 0.002 0.000 0.980 122 L CA -0.513 54.328 54.840 0.001 0.000 0.826 122 L CB 2.156 44.215 42.059 0.001 0.000 1.268 122 L HN 0.669 nan 8.230 nan 0.000 0.407 123 T N 1.125 115.680 114.554 0.002 0.000 2.863 123 T HA 0.786 5.137 4.350 0.001 0.000 0.285 123 T C -2.794 171.907 174.700 0.002 0.000 1.009 123 T CA -2.006 60.095 62.100 0.002 0.000 0.989 123 T CB 2.021 70.891 68.868 0.002 0.000 1.004 123 T HN 0.547 nan 8.240 nan 0.000 0.455 124 P HA 0.362 nan 4.420 nan 0.000 0.277 124 P C -0.714 176.587 177.300 0.002 0.000 1.240 124 P CA -0.641 62.460 63.100 0.002 0.000 0.798 124 P CB 0.545 32.246 31.700 0.002 0.000 0.979 125 L N 2.506 123.730 121.223 0.002 0.000 2.417 125 L HA 0.252 4.593 4.340 0.001 0.000 0.258 125 L C -0.410 176.461 176.870 0.001 0.000 1.088 125 L CA -0.633 54.208 54.840 0.002 0.000 0.975 125 L CB 0.002 42.062 42.059 0.001 0.000 1.341 125 L HN 0.393 nan 8.230 nan 0.000 0.431 126 c N 1.689 120.290 118.600 0.002 0.000 2.632 126 c HA 0.088 4.659 4.570 0.001 0.000 0.415 126 c C 1.599 175.690 174.090 0.002 0.000 1.332 126 c CA -0.264 56.066 56.329 0.002 0.000 1.874 126 c CB 1.090 43.601 42.510 0.002 0.000 2.596 126 c HN 0.682 nan 8.230 nan 0.000 0.590 127 V N 3.857 123.772 119.914 0.001 0.000 2.939 127 V HA 0.384 4.505 4.120 0.001 0.000 0.228 127 V C 1.406 177.501 176.094 0.001 0.000 1.162 127 V CA 1.885 64.186 62.300 0.001 0.000 1.222 127 V CB -0.152 31.671 31.823 0.001 0.000 1.053 127 V HN 0.932 nan 8.190 nan 0.000 0.504 128 G N -0.208 108.592 108.800 0.001 0.000 2.529 128 G HA2 0.691 4.652 3.960 0.001 0.000 0.220 128 G HA3 0.691 4.652 3.960 0.001 0.000 0.220 128 G C 0.171 175.072 174.900 0.001 0.000 1.976 128 G CA 0.491 45.592 45.100 0.001 0.000 0.789 128 G HN 1.067 nan 8.290 nan 0.000 0.695 195 S N 0.910 116.611 115.700 0.001 0.000 3.697 195 S HA 0.282 4.753 4.470 0.001 0.000 0.207 195 S C 0.696 175.297 174.600 0.001 0.000 1.459 195 S CA -0.309 57.892 58.200 0.001 0.000 1.122 195 S CB -1.200 62.001 63.200 0.001 0.000 1.311 195 S HN 0.327 nan 8.310 nan 0.000 0.487 196 c N 3.193 121.794 118.600 0.001 0.000 2.882 196 c HA 0.277 4.848 4.570 0.001 0.000 0.492 196 c C 1.914 176.005 174.090 0.001 0.000 1.279 196 c CA -0.819 55.510 56.329 0.001 0.000 1.551 196 c CB -2.206 40.305 42.510 0.001 0.000 2.037 196 c HN 0.696 nan 8.230 nan 0.000 0.625 197 N N 1.264 119.964 118.700 0.001 0.000 2.166 197 N HA -0.089 4.652 4.740 0.001 0.000 0.186 197 N C 1.236 176.746 175.510 0.001 0.000 1.019 197 N CA 1.254 54.304 53.050 0.001 0.000 0.856 197 N CB 0.029 38.516 38.487 0.001 0.000 0.993 197 N HN 0.660 nan 8.380 nan 0.000 0.426 198 T N -1.866 112.688 114.554 0.001 0.000 2.948 198 T HA 0.545 4.896 4.350 0.001 0.000 0.285 198 T C -0.465 174.236 174.700 0.001 0.000 1.019 198 T CA -0.546 61.555 62.100 0.001 0.000 1.013 198 T CB 1.817 70.686 68.868 0.001 0.000 1.117 198 T HN -0.073 nan 8.240 nan 0.000 0.533 199 S N 0.309 116.009 115.700 0.001 0.000 2.541 199 S HA 0.626 5.096 4.470 0.001 0.000 0.271 199 S C -1.621 172.979 174.600 0.001 0.000 1.133 199 S CA -0.656 57.544 58.200 0.001 0.000 0.876 199 S CB 1.523 64.724 63.200 0.001 0.000 1.105 199 S HN 0.718 nan 8.310 nan 0.000 0.470 200 V N 5.062 124.977 119.914 0.001 0.000 2.326 200 V HA 0.485 4.606 4.120 0.001 0.000 0.281 200 V C -0.167 175.928 176.094 0.001 0.000 1.015 200 V CA -0.709 61.591 62.300 0.001 0.000 0.823 200 V CB 1.216 33.040 31.823 0.001 0.000 1.009 200 V HN 0.782 nan 8.190 nan 0.000 0.436 201 I N 4.461 125.031 120.570 0.001 0.000 2.428 201 I HA 0.553 4.723 4.170 0.001 0.000 0.289 201 I C 0.182 176.299 176.117 0.001 0.000 1.019 201 I CA 0.815 62.116 61.300 0.001 0.000 1.351 201 I CB 1.728 39.729 38.000 0.001 0.000 1.412 201 I HN 0.791 nan 8.210 nan 0.000 0.513 202 T N 6.872 121.427 114.554 0.001 0.000 3.041 202 T HA 0.341 4.691 4.350 0.001 0.000 0.321 202 T C -0.941 173.759 174.700 0.001 0.000 1.184 202 T CA -0.777 61.323 62.100 0.001 0.000 1.050 202 T CB 1.382 70.250 68.868 0.001 0.000 1.159 202 T HN 0.652 nan 8.240 nan 0.000 0.469 203 Q N 3.206 123.006 119.800 0.000 0.000 2.243 203 Q HA 0.759 5.099 4.340 0.001 0.000 0.252 203 Q C -0.477 175.523 176.000 0.000 0.000 0.909 203 Q CA -0.992 54.811 55.803 -0.000 0.000 0.922 203 Q CB 1.786 30.524 28.738 -0.001 0.000 1.215 203 Q HN 0.761 nan 8.270 nan 0.000 0.427 204 A N 1.029 123.849 122.820 0.000 0.000 2.483 204 A HA 0.692 5.013 4.320 0.001 0.000 0.286 204 A C -0.597 176.987 177.584 0.001 0.000 1.207 204 A CA -0.399 51.639 52.037 0.001 0.000 0.764 204 A CB 0.981 19.982 19.000 0.002 0.000 1.341 204 A HN 1.113 nan 8.150 nan 0.000 0.428 205 c N -0.831 117.770 118.600 0.002 0.000 4.693 205 c HA -0.068 4.502 4.570 0.001 0.000 0.311 205 c C -1.127 172.964 174.090 0.001 0.000 1.174 205 c CA -0.287 56.043 56.329 0.002 0.000 2.358 205 c CB -2.907 39.604 42.510 0.001 0.000 1.184 205 c HN 0.810 nan 8.230 nan 0.000 0.736 206 P HA -0.092 nan 4.420 nan 0.000 0.216 206 P C 0.603 177.903 177.300 0.001 0.000 1.153 206 P CA 1.140 64.240 63.100 0.000 0.000 0.848 206 P CB 0.073 31.775 31.700 0.003 0.000 0.787 207 K N 0.526 120.930 120.400 0.006 0.000 2.427 207 K HA -0.059 4.262 4.320 0.001 0.000 0.262 207 K C -0.069 176.534 176.600 0.006 0.000 1.094 207 K CA 0.330 56.624 56.287 0.011 0.000 1.184 207 K CB -0.225 32.284 32.500 0.014 0.000 0.796 207 K HN -0.033 nan 8.250 nan 0.000 0.491 208 V N 4.075 123.995 119.914 0.009 0.000 2.406 208 V HA 0.154 4.275 4.120 0.001 0.000 0.272 208 V C -0.076 176.033 176.094 0.024 0.000 1.043 208 V CA -0.138 62.154 62.300 -0.012 0.000 0.915 208 V CB 1.181 32.986 31.823 -0.029 0.000 0.988 208 V HN 0.854 nan 8.190 nan 0.000 0.466 209 S N 6.413 122.115 115.700 0.004 0.000 2.607 209 S HA 0.707 5.178 4.470 0.001 0.000 0.303 209 S C -0.811 173.818 174.600 0.048 0.000 1.086 209 S CA -0.672 57.579 58.200 0.085 0.000 0.995 209 S CB 1.606 64.846 63.200 0.067 0.000 1.084 209 S HN 0.472 nan 8.310 nan 0.000 0.507 210 F N 1.194 121.157 119.950 0.021 0.000 2.408 210 F HA 0.475 5.002 4.527 0.001 0.000 0.344 210 F C 0.968 176.882 175.800 0.189 0.000 1.112 210 F CA -0.365 57.688 58.000 0.089 0.000 1.096 210 F CB 1.220 40.235 39.000 0.026 0.000 1.129 210 F HN 0.507 nan 8.300 nan 0.000 0.486 211 E N 3.830 124.233 120.200 0.339 0.000 2.227 211 E HA 0.368 4.719 4.350 0.001 0.000 0.268 211 E C -2.633 174.118 176.600 0.251 0.000 0.907 211 E CA -2.336 54.230 56.400 0.276 0.000 0.786 211 E CB 1.745 31.512 29.700 0.112 0.000 1.191 211 E HN 0.187 nan 8.360 nan 0.000 0.411 212 P HA 0.206 nan 4.420 nan 0.000 0.271 212 P C -0.319 176.893 177.300 -0.147 0.000 1.216 212 P CA 0.042 63.002 63.100 -0.233 0.000 0.771 212 P CB 0.455 32.034 31.700 -0.201 0.000 0.864 213 I N 5.329 125.780 120.570 -0.200 0.000 2.331 213 I HA 0.253 4.423 4.170 0.001 0.000 0.292 213 I C -2.012 174.039 176.117 -0.110 0.000 0.998 213 I CA -2.543 58.695 61.300 -0.103 0.000 1.267 213 I CB 1.130 39.086 38.000 -0.074 0.000 1.386 213 I HN 0.147 nan 8.210 nan 0.000 0.476 214 P HA 0.124 nan 4.420 nan 0.000 0.267 214 P C -0.824 176.408 177.300 -0.114 0.000 1.205 214 P CA 0.179 63.216 63.100 -0.105 0.000 0.765 214 P CB 0.305 31.967 31.700 -0.062 0.000 0.828 215 I N 3.710 124.182 120.570 -0.162 0.000 2.377 215 I HA 0.304 4.475 4.170 0.001 0.000 0.293 215 I C 0.559 176.539 176.117 -0.228 0.000 0.987 215 I CA -0.457 60.785 61.300 -0.097 0.000 1.185 215 I CB 1.091 39.086 38.000 -0.009 0.000 1.341 215 I HN 0.350 nan 8.210 nan 0.000 0.455 216 H N 5.063 124.119 119.070 -0.025 0.000 2.466 216 H HA 0.232 4.788 4.556 0.001 0.000 0.338 216 H C -1.234 174.068 175.328 -0.044 0.000 1.091 216 H CA -0.520 55.501 56.048 -0.046 0.000 1.207 216 H CB 2.438 32.170 29.762 -0.050 0.000 1.466 216 H HN 0.507 nan 8.280 nan 0.000 0.493 217 Y N 2.734 122.985 120.300 -0.081 0.000 2.365 217 Y HA 0.188 4.738 4.550 0.001 0.000 0.340 217 Y C -0.537 175.303 175.900 -0.101 0.000 1.016 217 Y CA -0.650 57.381 58.100 -0.115 0.000 1.196 217 Y CB 0.336 38.688 38.460 -0.181 0.000 1.167 217 Y HN 0.552 nan 8.280 nan 0.000 0.509 218 c N 6.088 124.433 118.600 -0.426 0.000 2.329 218 c HA 0.752 5.323 4.570 0.001 0.000 0.329 218 c C 0.396 174.285 174.090 -0.335 0.000 1.275 218 c CA -1.093 55.087 56.329 -0.249 0.000 1.726 218 c CB -0.102 42.299 42.510 -0.182 0.000 2.291 218 c HN 1.026 nan 8.230 nan 0.000 0.514 219 A N 5.281 128.077 122.820 -0.042 0.000 2.546 219 A HA 0.437 4.758 4.320 0.001 0.000 0.243 219 A C -1.848 175.725 177.584 -0.019 0.000 1.063 219 A CA -0.315 51.755 52.037 0.054 0.000 0.757 219 A CB -0.473 18.620 19.000 0.155 0.000 0.991 219 A HN 0.751 nan 8.150 nan 0.000 0.503 220 P HA 0.229 nan 4.420 nan 0.000 0.278 220 P C -0.075 177.289 177.300 0.107 0.000 1.270 220 P CA 0.172 63.241 63.100 -0.051 0.000 0.800 220 P CB 0.337 31.918 31.700 -0.198 0.000 1.142 221 A N 0.380 123.265 122.820 0.109 0.000 2.444 221 A HA 0.464 4.784 4.320 0.001 0.000 0.273 221 A C 1.257 178.998 177.584 0.262 0.000 1.136 221 A CA 0.570 52.689 52.037 0.137 0.000 0.799 221 A CB -1.508 17.538 19.000 0.077 0.000 1.081 221 A HN 0.829 nan 8.150 nan 0.000 0.509 222 G N 1.149 110.055 108.800 0.176 0.000 2.176 222 G HA2 -0.191 3.770 3.960 0.001 0.000 0.232 222 G HA3 -0.191 3.770 3.960 0.001 0.000 0.232 222 G C -0.147 174.685 174.900 -0.114 0.000 0.986 222 G CA 0.306 45.429 45.100 0.037 0.000 0.643 222 G HN 0.675 nan 8.290 nan 0.000 0.522 223 F N 0.383 120.346 119.950 0.022 0.000 2.639 223 F HA 0.916 5.444 4.527 0.001 0.000 0.339 223 F C 0.513 176.340 175.800 0.045 0.000 1.071 223 F CA -0.463 57.560 58.000 0.038 0.000 0.994 223 F CB 1.880 40.911 39.000 0.052 0.000 1.341 223 F HN 0.444 nan 8.300 nan 0.000 0.498 224 A N 0.316 123.294 122.820 0.264 0.000 2.564 224 A HA 0.874 5.194 4.320 0.001 0.000 0.288 224 A C -1.609 176.097 177.584 0.203 0.000 1.164 224 A CA -0.681 51.466 52.037 0.183 0.000 0.712 224 A CB 1.306 20.377 19.000 0.118 0.000 1.303 224 A HN 0.600 nan 8.150 nan 0.000 0.418 225 I N 0.751 121.430 120.570 0.182 0.000 2.378 225 I HA 0.350 4.520 4.170 0.001 0.000 0.291 225 I C -0.923 175.332 176.117 0.231 0.000 0.992 225 I CA -0.330 61.098 61.300 0.212 0.000 1.154 225 I CB 1.556 39.671 38.000 0.192 0.000 1.315 225 I HN 0.430 nan 8.210 nan 0.000 0.448 226 L N 6.689 128.077 121.223 0.276 0.000 2.292 226 L HA 0.452 4.793 4.340 0.001 0.000 0.284 226 L C -0.041 177.018 176.870 0.314 0.000 1.065 226 L CA -0.368 54.652 54.840 0.299 0.000 0.806 226 L CB 1.117 43.376 42.059 0.332 0.000 1.175 226 L HN 0.528 nan 8.230 nan 0.000 0.431 227 K N 3.244 123.762 120.400 0.198 0.000 2.413 227 K HA 0.334 4.655 4.320 0.001 0.000 0.257 227 K C -1.145 175.409 176.600 -0.076 0.000 0.946 227 K CA -0.601 55.668 56.287 -0.030 0.000 0.823 227 K CB 1.709 34.220 32.500 0.019 0.000 1.109 227 K HN 0.623 nan 8.250 nan 0.000 0.427 228 c N 4.327 122.738 118.600 -0.314 0.000 2.585 228 c HA 0.269 4.839 4.570 0.001 0.000 0.406 228 c C 0.817 174.789 174.090 -0.198 0.000 1.312 228 c CA -0.342 55.828 56.329 -0.265 0.000 1.924 228 c CB -0.657 41.506 42.510 -0.579 0.000 2.578 228 c HN 0.923 nan 8.230 nan 0.000 0.580 229 N N 2.600 121.232 118.700 -0.114 0.000 2.220 229 N HA 0.054 4.794 4.740 0.001 0.000 0.195 229 N C 0.081 175.564 175.510 -0.046 0.000 1.123 229 N CA 0.184 53.191 53.050 -0.071 0.000 0.874 229 N CB -0.300 38.162 38.487 -0.041 0.000 0.995 229 N HN 0.708 nan 8.380 nan 0.000 0.498 230 N N 2.272 120.937 118.700 -0.059 0.000 2.418 230 N HA -0.057 4.684 4.740 0.001 0.000 0.277 230 N C 0.712 176.250 175.510 0.047 0.000 1.317 230 N CA 0.408 53.454 53.050 -0.007 0.000 0.922 230 N CB 0.376 38.854 38.487 -0.014 0.000 1.194 230 N HN 0.121 nan 8.380 nan 0.000 0.485 231 K N 1.479 121.897 120.400 0.030 0.000 2.442 231 K HA -0.048 4.273 4.320 0.001 0.000 0.198 231 K C 0.057 176.681 176.600 0.040 0.000 1.044 231 K CA 0.995 57.301 56.287 0.031 0.000 0.948 231 K CB 0.191 32.695 32.500 0.008 0.000 0.762 231 K HN 0.463 nan 8.250 nan 0.000 0.472 232 T N 0.891 115.477 114.554 0.053 0.000 3.516 232 T HA 0.144 4.495 4.350 0.001 0.000 0.245 232 T C -0.739 174.004 174.700 0.072 0.000 1.077 232 T CA -0.549 61.564 62.100 0.022 0.000 1.222 232 T CB -0.272 68.591 68.868 -0.007 0.000 1.045 232 T HN -0.000 nan 8.240 nan 0.000 0.585 233 F N 3.904 123.814 119.950 -0.067 0.000 2.410 233 F HA 0.363 4.891 4.527 0.001 0.000 0.334 233 F C 1.002 176.693 175.800 -0.182 0.000 1.134 233 F CA -1.240 56.719 58.000 -0.069 0.000 1.227 233 F CB 0.908 39.902 39.000 -0.011 0.000 1.194 233 F HN 0.205 nan 8.300 nan 0.000 0.571 234 N N 1.518 119.657 118.700 -0.933 0.000 2.205 234 N HA 0.293 5.034 4.740 0.001 0.000 0.201 234 N C 0.977 175.770 175.510 -1.195 0.000 1.128 234 N CA 0.461 53.018 53.050 -0.821 0.000 0.867 234 N CB 0.716 38.987 38.487 -0.360 0.000 0.996 234 N HN 0.872 nan 8.380 nan 0.000 0.503 235 G N -0.410 107.191 108.800 -1.997 0.000 3.400 235 G HA2 -0.256 3.705 3.960 0.001 0.000 0.209 235 G HA3 -0.256 3.705 3.960 0.001 0.000 0.209 235 G C -0.020 174.663 174.900 -0.361 0.000 1.411 235 G CA 0.146 44.410 45.100 -1.394 0.000 0.917 235 G HN 0.433 nan 8.290 nan 0.000 0.570 236 T N 1.864 116.379 114.554 -0.064 0.000 2.882 236 T HA 0.682 5.032 4.350 0.001 0.000 0.287 236 T C 0.581 175.441 174.700 0.266 0.000 0.992 236 T CA 1.321 63.572 62.100 0.251 0.000 1.076 236 T CB 1.144 70.165 68.868 0.255 0.000 0.961 236 T HN 2.264 nan 8.240 nan 0.000 0.490 237 G N 3.490 112.507 108.800 0.362 0.000 2.395 237 G HA2 0.102 4.063 3.960 0.001 0.000 0.678 237 G HA3 0.102 4.063 3.960 0.001 0.000 0.678 237 G C -3.487 171.609 174.900 0.327 0.000 1.293 237 G CA -1.289 44.003 45.100 0.319 0.000 0.979 237 G HN 0.600 nan 8.290 nan 0.000 0.534 238 P HA 0.516 nan 4.420 nan 0.000 0.296 238 P C -0.422 176.881 177.300 0.005 0.000 1.306 238 P CA -0.486 62.635 63.100 0.034 0.000 0.818 238 P CB 1.676 33.383 31.700 0.012 0.000 0.969 239 c N 3.397 121.919 118.600 -0.131 0.000 2.307 239 c HA 0.298 4.868 4.570 0.001 0.000 0.340 239 c C 1.939 175.967 174.090 -0.103 0.000 1.275 239 c CA 0.182 56.411 56.329 -0.166 0.000 1.811 239 c CB -0.513 41.889 42.510 -0.181 0.000 2.372 239 c HN 0.754 nan 8.230 nan 0.000 0.531 240 T N 0.842 115.356 114.554 -0.066 0.000 3.100 240 T HA 0.062 4.412 4.350 0.001 0.000 0.253 240 T C 0.352 175.028 174.700 -0.040 0.000 1.118 240 T CA 0.317 62.391 62.100 -0.043 0.000 1.058 240 T CB -0.283 68.572 68.868 -0.022 0.000 0.953 240 T HN 0.654 nan 8.240 nan 0.000 0.515 241 N N 0.852 119.524 118.700 -0.048 0.000 2.491 241 N HA 0.459 5.200 4.740 0.001 0.000 0.274 241 N C -1.861 173.631 175.510 -0.029 0.000 1.023 241 N CA -0.509 52.520 53.050 -0.034 0.000 0.902 241 N CB 1.990 40.459 38.487 -0.031 0.000 1.267 241 N HN 0.041 nan 8.380 nan 0.000 0.503 242 V N 1.749 121.656 119.914 -0.011 0.000 2.789 242 V HA 0.609 4.730 4.120 0.001 0.000 0.311 242 V C -0.270 175.839 176.094 0.025 0.000 1.073 242 V CA -0.586 61.725 62.300 0.019 0.000 0.921 242 V CB 2.091 33.923 31.823 0.015 0.000 1.009 242 V HN 0.707 nan 8.190 nan 0.000 0.426 243 S N 1.469 117.196 115.700 0.046 0.000 2.648 243 S HA 0.709 5.179 4.470 0.001 0.000 0.305 243 S C -0.473 174.176 174.600 0.080 0.000 1.094 243 S CA -0.661 57.569 58.200 0.051 0.000 0.983 243 S CB 2.062 65.290 63.200 0.046 0.000 1.101 243 S HN 0.721 nan 8.310 nan 0.000 0.514 244 T N 2.081 116.680 114.554 0.074 0.000 2.847 244 T HA 0.605 4.956 4.350 0.001 0.000 0.291 244 T C -0.535 174.219 174.700 0.090 0.000 0.998 244 T CA -0.502 61.651 62.100 0.089 0.000 0.967 244 T CB 0.673 69.581 68.868 0.066 0.000 0.954 244 T HN 0.528 nan 8.240 nan 0.000 0.441 245 V N 2.593 122.578 119.914 0.118 0.000 2.960 245 V HA 0.533 4.654 4.120 0.001 0.000 0.315 245 V C 0.598 176.748 176.094 0.095 0.000 1.087 245 V CA -1.032 61.332 62.300 0.106 0.000 0.982 245 V CB 1.963 33.871 31.823 0.141 0.000 1.039 245 V HN 0.740 nan 8.190 nan 0.000 0.437 246 Q N 0.280 120.117 119.800 0.062 0.000 2.354 246 Q HA 0.280 4.621 4.340 0.001 0.000 0.203 246 Q C 0.205 176.225 176.000 0.033 0.000 0.933 246 Q CA 0.761 56.591 55.803 0.045 0.000 0.901 246 Q CB 0.531 29.278 28.738 0.016 0.000 1.007 246 Q HN 0.797 nan 8.270 nan 0.000 0.495 247 c N 0.485 119.103 118.600 0.029 0.000 2.797 247 c HA 0.443 5.014 4.570 0.001 0.000 0.306 247 c C 0.566 174.658 174.090 0.003 0.000 1.207 247 c CA -1.070 55.268 56.329 0.015 0.000 1.507 247 c CB 1.590 44.086 42.510 -0.024 0.000 2.028 247 c HN 0.475 nan 8.230 nan 0.000 0.475 248 T N -0.053 114.431 114.554 -0.118 0.000 2.698 248 T HA 0.261 4.611 4.350 0.001 0.000 0.295 248 T C 0.549 175.249 174.700 -0.000 0.000 1.007 248 T CA 0.034 61.878 62.100 -0.427 0.000 0.980 248 T CB 0.230 68.614 68.868 -0.806 0.000 1.036 248 T HN 0.867 nan 8.240 nan 0.000 0.526 249 H N -0.640 118.490 119.070 0.101 0.000 2.307 249 H HA 0.338 4.895 4.556 0.001 0.000 0.349 249 H C 0.740 176.024 175.328 -0.073 0.000 1.754 249 H CA -0.532 55.618 56.048 0.171 0.000 1.431 249 H CB -0.352 29.513 29.762 0.173 0.000 1.666 249 H HN 0.868 nan 8.280 nan 0.000 0.582 250 G N 0.732 109.571 108.800 0.066 0.000 2.391 250 G HA2 0.414 4.375 3.960 0.001 0.000 0.305 250 G HA3 0.414 4.375 3.960 0.001 0.000 0.305 250 G C -0.223 174.634 174.900 -0.072 0.000 1.072 250 G CA -0.588 44.301 45.100 -0.352 0.000 1.016 250 G HN 0.520 nan 8.290 nan 0.000 0.418 251 I N 2.371 122.820 120.570 -0.202 0.000 2.336 251 I HA 0.288 4.459 4.170 0.001 0.000 0.292 251 I C 0.315 176.383 176.117 -0.082 0.000 0.991 251 I CA -0.640 60.622 61.300 -0.063 0.000 1.227 251 I CB 1.612 39.598 38.000 -0.023 0.000 1.366 251 I HN 0.323 nan 8.210 nan 0.000 0.466 252 R N 6.820 127.270 120.500 -0.083 0.000 2.369 252 R HA 0.329 4.670 4.340 0.001 0.000 0.310 252 R C -2.451 173.754 176.300 -0.158 0.000 1.141 252 R CA -1.731 54.296 56.100 -0.121 0.000 1.116 252 R CB 0.194 30.430 30.300 -0.106 0.000 1.135 252 R HN 0.294 nan 8.270 nan 0.000 0.529 253 P HA -0.070 nan 4.420 nan 0.000 0.262 253 P C -0.758 176.436 177.300 -0.177 0.000 1.182 253 P CA 0.188 63.164 63.100 -0.205 0.000 0.761 253 P CB 0.699 32.390 31.700 -0.014 0.000 0.795 254 V N 5.076 124.869 119.914 -0.201 0.000 2.509 254 V HA 0.085 4.206 4.120 0.001 0.000 0.289 254 V C -0.015 176.001 176.094 -0.131 0.000 1.026 254 V CA -0.749 61.475 62.300 -0.128 0.000 0.872 254 V CB 2.098 33.852 31.823 -0.115 0.000 1.017 254 V HN 0.221 nan 8.190 nan 0.000 0.436 255 V N 4.805 124.666 119.914 -0.089 0.000 2.585 255 V HA 0.610 4.731 4.120 0.001 0.000 0.296 255 V C 0.526 176.498 176.094 -0.204 0.000 1.035 255 V CA 0.731 62.970 62.300 -0.102 0.000 1.084 255 V CB 1.012 32.812 31.823 -0.038 0.000 0.953 255 V HN 1.140 nan 8.190 nan 0.000 0.483 256 S N 3.002 118.616 115.700 -0.143 0.000 2.633 256 S HA 0.640 5.111 4.470 0.001 0.000 0.271 256 S C -0.842 173.848 174.600 0.150 0.000 1.112 256 S CA -0.332 57.838 58.200 -0.050 0.000 0.828 256 S CB 1.725 64.958 63.200 0.055 0.000 1.086 256 S HN 1.266 nan 8.310 nan 0.000 0.461 257 S N 0.454 116.335 115.700 0.301 0.000 2.599 257 S HA 0.777 5.248 4.470 0.001 0.000 0.294 257 S C 0.294 175.069 174.600 0.291 0.000 1.094 257 S CA -0.136 58.247 58.200 0.304 0.000 0.931 257 S CB 1.520 64.945 63.200 0.376 0.000 1.093 257 S HN 1.169 nan 8.310 nan 0.000 0.488 258 Q N -0.923 118.986 119.800 0.181 0.000 2.645 258 Q HA -0.233 4.108 4.340 0.001 0.000 0.188 258 Q C -0.595 175.482 176.000 0.129 0.000 2.862 258 Q CA 1.804 57.684 55.803 0.128 0.000 0.227 258 Q CB -1.340 27.483 28.738 0.142 0.000 0.207 258 Q HN 0.763 nan 8.270 nan 0.000 0.418 259 L N 1.721 122.991 121.223 0.078 0.000 2.322 259 L HA 0.533 4.874 4.340 0.001 0.000 0.281 259 L C -0.357 176.516 176.870 0.005 0.000 1.014 259 L CA -0.592 54.227 54.840 -0.036 0.000 0.815 259 L CB 1.237 43.058 42.059 -0.396 0.000 1.247 259 L HN 0.108 nan 8.230 nan 0.000 0.421 260 L N 4.917 126.140 121.223 -0.001 0.000 2.260 260 L HA 0.460 4.801 4.340 0.001 0.000 0.289 260 L C -0.312 176.525 176.870 -0.056 0.000 1.057 260 L CA -0.213 54.615 54.840 -0.020 0.000 0.811 260 L CB 0.896 42.952 42.059 -0.005 0.000 1.184 260 L HN 0.423 nan 8.230 nan 0.000 0.429 261 L N 3.584 124.756 121.223 -0.084 0.000 2.334 261 L HA 0.448 4.788 4.340 0.001 0.000 0.272 261 L C 0.287 177.100 176.870 -0.096 0.000 1.020 261 L CA -1.010 53.760 54.840 -0.116 0.000 0.812 261 L CB 1.040 42.990 42.059 -0.182 0.000 1.264 261 L HN 0.583 nan 8.230 nan 0.000 0.439 262 N N 1.462 120.111 118.700 -0.086 0.000 2.686 262 N HA -0.159 4.582 4.740 0.001 0.000 0.261 262 N C -0.201 175.277 175.510 -0.053 0.000 1.001 262 N CA 0.968 53.979 53.050 -0.065 0.000 0.764 262 N CB -0.784 37.663 38.487 -0.066 0.000 0.898 262 N HN 0.963 nan 8.380 nan 0.000 0.544 263 G N -1.600 107.176 108.800 -0.041 0.000 3.108 263 G HA2 0.647 4.607 3.960 0.001 0.000 0.268 263 G HA3 0.647 4.607 3.960 0.001 0.000 0.268 263 G C -0.710 174.181 174.900 -0.014 0.000 1.361 263 G CA -0.459 44.629 45.100 -0.019 0.000 1.047 263 G HN 0.124 nan 8.290 nan 0.000 0.540 264 S N 0.034 115.734 115.700 -0.001 0.000 2.452 264 S HA 0.393 4.863 4.470 0.001 0.000 0.284 264 S C 0.262 174.853 174.600 -0.016 0.000 1.171 264 S CA -0.399 57.778 58.200 -0.037 0.000 1.064 264 S CB 0.698 63.840 63.200 -0.095 0.000 0.967 264 S HN 0.363 nan 8.310 nan 0.000 0.484 265 L N 2.675 123.880 121.223 -0.029 0.000 2.439 265 L HA 0.371 4.712 4.340 0.001 0.000 0.269 265 L C 0.916 177.773 176.870 -0.022 0.000 1.179 265 L CA -0.664 54.160 54.840 -0.026 0.000 0.828 265 L CB 0.279 42.320 42.059 -0.030 0.000 1.106 265 L HN 0.676 nan 8.230 nan 0.000 0.467 266 A N 2.394 125.197 122.820 -0.028 0.000 2.445 266 A HA 0.116 4.437 4.320 0.001 0.000 0.242 266 A C 1.022 178.591 177.584 -0.026 0.000 1.075 266 A CA -0.204 51.816 52.037 -0.028 0.000 0.777 266 A CB 0.254 19.221 19.000 -0.056 0.000 1.013 266 A HN 0.910 nan 8.150 nan 0.000 0.493 267 E N 1.216 121.406 120.200 -0.017 0.000 2.033 267 E HA -0.125 4.226 4.350 0.001 0.000 0.189 267 E C 1.199 177.786 176.600 -0.022 0.000 0.979 267 E CA 1.406 57.795 56.400 -0.018 0.000 0.802 267 E CB 0.097 29.790 29.700 -0.011 0.000 0.763 267 E HN 0.856 nan 8.360 nan 0.000 0.449 268 E N 0.884 121.071 120.200 -0.023 0.000 2.402 268 E HA 0.074 4.425 4.350 0.001 0.000 0.261 268 E C 0.614 177.194 176.600 -0.034 0.000 0.823 268 E CA 0.118 56.502 56.400 -0.026 0.000 1.205 268 E CB 0.320 30.007 29.700 -0.023 0.000 1.431 268 E HN 0.061 nan 8.360 nan 0.000 0.518 269 E N 0.571 120.747 120.200 -0.041 0.000 2.285 269 E HA 0.317 4.668 4.350 0.001 0.000 0.254 269 E C -0.738 175.826 176.600 -0.061 0.000 1.011 269 E CA -0.684 55.686 56.400 -0.050 0.000 0.873 269 E CB 1.856 31.526 29.700 -0.049 0.000 1.229 269 E HN -0.072 nan 8.360 nan 0.000 0.422 270 V N 1.538 121.410 119.914 -0.069 0.000 2.673 270 V HA 0.012 4.133 4.120 0.001 0.000 0.303 270 V C -0.047 175.999 176.094 -0.080 0.000 1.046 270 V CA 0.261 62.514 62.300 -0.079 0.000 1.126 270 V CB 0.635 32.402 31.823 -0.092 0.000 0.934 270 V HN 0.291 nan 8.190 nan 0.000 0.487 271 V N 6.209 126.070 119.914 -0.089 0.000 2.604 271 V HA 0.572 4.693 4.120 0.001 0.000 0.305 271 V C -0.181 175.870 176.094 -0.072 0.000 1.043 271 V CA -0.560 61.678 62.300 -0.103 0.000 0.888 271 V CB 1.777 33.498 31.823 -0.169 0.000 0.995 271 V HN 0.800 nan 8.190 nan 0.000 0.429 272 I N 2.232 122.791 120.570 -0.019 0.000 2.530 272 I HA 0.832 5.003 4.170 0.001 0.000 0.297 272 I C -0.554 175.663 176.117 0.166 0.000 1.011 272 I CA -0.715 60.637 61.300 0.087 0.000 1.107 272 I CB 2.040 40.146 38.000 0.177 0.000 1.285 272 I HN 0.539 nan 8.210 nan 0.000 0.436 273 R N 3.309 123.900 120.500 0.151 0.000 2.771 273 R HA 0.742 5.082 4.340 0.001 0.000 0.274 273 R C -1.261 175.021 176.300 -0.029 0.000 0.987 273 R CA -1.000 55.168 56.100 0.112 0.000 0.908 273 R CB 2.273 32.523 30.300 -0.083 0.000 1.213 273 R HN 0.797 nan 8.270 nan 0.000 0.468 274 S N -0.185 115.362 115.700 -0.255 0.000 2.535 274 S HA 0.178 4.648 4.470 0.001 0.000 0.272 274 S C 0.350 174.817 174.600 -0.222 0.000 1.149 274 S CA -0.768 57.151 58.200 -0.467 0.000 0.888 274 S CB 1.228 63.685 63.200 -1.239 0.000 1.110 274 S HN 0.763 nan 8.310 nan 0.000 0.463 275 c N 2.690 121.134 118.600 -0.260 0.000 2.437 275 c HA 0.291 4.861 4.570 0.001 0.000 0.283 275 c C 0.928 174.942 174.090 -0.127 0.000 1.424 275 c CA 0.302 56.476 56.329 -0.258 0.000 1.782 275 c CB -1.500 40.805 42.510 -0.343 0.000 1.833 275 c HN 0.735 nan 8.230 nan 0.000 0.532 276 N N -1.230 117.377 118.700 -0.155 0.000 3.466 276 N HA 0.050 4.791 4.740 0.001 0.000 0.217 276 N C -0.198 175.298 175.510 -0.024 0.000 1.265 276 N CA -0.417 52.610 53.050 -0.039 0.000 0.887 276 N CB -0.369 38.113 38.487 -0.009 0.000 1.626 276 N HN 0.111 nan 8.380 nan 0.000 0.700 277 F N 0.846 120.850 119.950 0.089 0.000 2.333 277 F HA -0.049 4.479 4.527 0.002 0.000 0.300 277 F C 2.220 178.121 175.800 0.168 0.000 1.083 277 F CA 1.245 59.328 58.000 0.138 0.000 1.395 277 F CB 0.273 39.300 39.000 0.045 0.000 1.056 277 F HN 0.386 nan 8.300 nan 0.000 0.529 278 T N -2.037 112.675 114.554 0.263 0.000 3.088 278 T HA -0.092 4.258 4.350 0.001 0.000 0.259 278 T C 0.475 175.252 174.700 0.128 0.000 1.122 278 T CA 0.516 62.730 62.100 0.190 0.000 1.095 278 T CB -0.229 68.718 68.868 0.131 0.000 0.930 278 T HN -0.020 nan 8.240 nan 0.000 0.508 279 D N 2.206 122.665 120.400 0.098 0.000 2.428 279 D HA 0.125 4.766 4.640 0.001 0.000 0.221 279 D C 0.955 177.281 176.300 0.044 0.000 1.123 279 D CA -0.549 53.481 54.000 0.050 0.000 0.869 279 D CB 0.436 41.248 40.800 0.020 0.000 1.032 279 D HN 0.169 nan 8.370 nan 0.000 0.506 280 N N 3.337 122.055 118.700 0.032 0.000 2.348 280 N HA -0.207 4.534 4.740 0.001 0.000 0.185 280 N C 1.411 176.916 175.510 -0.008 0.000 1.019 280 N CA 1.396 54.448 53.050 0.002 0.000 0.880 280 N CB -0.129 38.336 38.487 -0.036 0.000 0.965 280 N HN 0.253 nan 8.380 nan 0.000 0.437 281 A N 0.413 123.229 122.820 -0.006 0.000 1.897 281 A HA -0.026 4.295 4.320 0.001 0.000 0.215 281 A C 0.994 178.570 177.584 -0.014 0.000 1.181 281 A CA 0.601 52.631 52.037 -0.011 0.000 0.620 281 A CB -0.263 18.730 19.000 -0.012 0.000 0.821 281 A HN 0.100 nan 8.150 nan 0.000 0.443 282 K N 2.184 122.572 120.400 -0.021 0.000 2.484 282 K HA 0.103 4.424 4.320 0.001 0.000 0.280 282 K C -0.255 176.326 176.600 -0.032 0.000 1.013 282 K CA 0.371 56.631 56.287 -0.045 0.000 1.029 282 K CB -0.126 32.329 32.500 -0.075 0.000 0.902 282 K HN 0.312 nan 8.250 nan 0.000 0.481 283 T N 3.930 118.464 114.554 -0.033 0.000 2.901 283 T HA 0.213 4.564 4.350 0.001 0.000 0.301 283 T C 0.942 175.646 174.700 0.007 0.000 1.012 283 T CA -0.246 61.856 62.100 0.004 0.000 1.135 283 T CB 0.394 69.268 68.868 0.010 0.000 0.936 283 T HN 0.293 nan 8.240 nan 0.000 0.539 284 I N 3.601 124.216 120.570 0.074 0.000 2.342 284 I HA 0.327 4.497 4.170 0.001 0.000 0.291 284 I C 0.077 176.265 176.117 0.118 0.000 1.010 284 I CA -0.437 60.926 61.300 0.105 0.000 1.308 284 I CB 0.828 38.978 38.000 0.249 0.000 1.400 284 I HN 0.456 nan 8.210 nan 0.000 0.488 285 I N 7.198 127.836 120.570 0.114 0.000 2.328 285 I HA 0.271 4.442 4.170 0.001 0.000 0.287 285 I C -0.298 175.865 176.117 0.077 0.000 1.012 285 I CA -0.630 60.736 61.300 0.110 0.000 1.195 285 I CB 1.299 39.391 38.000 0.153 0.000 1.350 285 I HN 0.207 nan 8.210 nan 0.000 0.464 286 V N 6.376 126.328 119.914 0.065 0.000 2.539 286 V HA 0.291 4.412 4.120 0.001 0.000 0.292 286 V C 0.015 176.104 176.094 -0.009 0.000 1.045 286 V CA -0.461 61.854 62.300 0.025 0.000 0.945 286 V CB 1.566 33.401 31.823 0.020 0.000 0.993 286 V HN 0.749 nan 8.190 nan 0.000 0.464 287 Q N 4.384 124.157 119.800 -0.045 0.000 2.397 287 Q HA 0.485 4.826 4.340 0.001 0.000 0.260 287 Q C -1.149 174.813 176.000 -0.064 0.000 1.002 287 Q CA -0.573 55.197 55.803 -0.055 0.000 0.716 287 Q CB 1.239 29.924 28.738 -0.089 0.000 1.258 287 Q HN 0.744 nan 8.270 nan 0.000 0.477 288 L N 2.404 123.592 121.223 -0.058 0.000 2.479 288 L HA 0.136 4.476 4.340 0.001 0.000 0.270 288 L C 1.343 178.178 176.870 -0.058 0.000 1.236 288 L CA -0.326 54.471 54.840 -0.071 0.000 0.823 288 L CB 0.105 42.121 42.059 -0.071 0.000 1.098 288 L HN 0.730 nan 8.230 nan 0.000 0.500 289 N N -1.504 117.160 118.700 -0.060 0.000 2.236 289 N HA 0.025 4.766 4.740 0.001 0.000 0.196 289 N C -0.175 175.311 175.510 -0.041 0.000 1.114 289 N CA -0.122 52.900 53.050 -0.048 0.000 0.859 289 N CB 0.647 39.105 38.487 -0.048 0.000 0.982 289 N HN 0.547 nan 8.380 nan 0.000 0.493 290 T N 0.637 115.164 114.554 -0.045 0.000 3.011 290 T HA 0.321 4.671 4.350 0.001 0.000 0.303 290 T C -0.778 173.905 174.700 -0.028 0.000 0.997 290 T CA -0.712 61.367 62.100 -0.035 0.000 1.007 290 T CB 1.599 70.445 68.868 -0.037 0.000 1.017 290 T HN 0.275 nan 8.240 nan 0.000 0.443 291 S N 2.156 117.844 115.700 -0.019 0.000 2.565 291 S HA 0.519 4.989 4.470 0.001 0.000 0.276 291 S C 0.062 174.666 174.600 0.006 0.000 1.326 291 S CA -0.688 57.506 58.200 -0.010 0.000 1.045 291 S CB 0.606 63.796 63.200 -0.017 0.000 0.918 291 S HN 0.456 nan 8.310 nan 0.000 0.505 292 V N 3.072 123.003 119.914 0.028 0.000 2.328 292 V HA 0.344 4.465 4.120 0.001 0.000 0.278 292 V C 0.491 176.590 176.094 0.008 0.000 1.021 292 V CA -0.703 61.630 62.300 0.055 0.000 0.838 292 V CB 0.562 32.489 31.823 0.174 0.000 0.999 292 V HN 1.019 nan 8.190 nan 0.000 0.447 293 E N 4.154 124.351 120.200 -0.004 0.000 2.414 293 E HA 0.321 4.672 4.350 0.001 0.000 0.263 293 E C -0.713 175.858 176.600 -0.048 0.000 1.000 293 E CA -0.028 56.356 56.400 -0.028 0.000 0.914 293 E CB 0.866 30.556 29.700 -0.016 0.000 0.948 293 E HN 0.701 nan 8.360 nan 0.000 0.444 294 I N 4.463 124.989 120.570 -0.074 0.000 2.500 294 I HA 0.268 4.439 4.170 0.001 0.000 0.286 294 I C -1.589 174.486 176.117 -0.070 0.000 1.063 294 I CA -0.890 60.355 61.300 -0.092 0.000 1.062 294 I CB 1.133 39.041 38.000 -0.152 0.000 1.223 294 I HN 0.444 nan 8.210 nan 0.000 0.435 295 N N 7.112 125.795 118.700 -0.029 0.000 2.439 295 N HA 0.350 5.091 4.740 0.001 0.000 0.249 295 N C -1.314 174.206 175.510 0.017 0.000 1.003 295 N CA -0.234 52.812 53.050 -0.008 0.000 0.942 295 N CB 1.311 39.807 38.487 0.015 0.000 1.115 295 N HN 0.440 nan 8.380 nan 0.000 0.505 296 c N 1.250 119.848 118.600 -0.004 0.000 2.319 296 c HA 0.515 5.086 4.570 0.001 0.000 0.323 296 c C 0.987 175.102 174.090 0.042 0.000 1.277 296 c CA -0.766 55.590 56.329 0.045 0.000 1.517 296 c CB 0.727 43.248 42.510 0.017 0.000 2.206 296 c HN 0.587 nan 8.230 nan 0.000 0.486 297 T N 1.142 115.689 114.554 -0.010 0.000 2.929 297 T HA 0.480 4.831 4.350 0.001 0.000 0.284 297 T C 1.323 176.061 174.700 0.065 0.000 1.014 297 T CA 0.403 62.486 62.100 -0.030 0.000 1.051 297 T CB 1.342 70.108 68.868 -0.170 0.000 1.028 297 T HN 0.860 nan 8.240 nan 0.000 0.485 298 G N 2.150 110.998 108.800 0.080 0.000 2.470 298 G HA2 0.197 4.158 3.960 0.001 0.000 0.220 298 G HA3 0.197 4.158 3.960 0.001 0.000 0.220 298 G C 0.891 175.756 174.900 -0.058 0.000 1.121 298 G CA 0.621 45.752 45.100 0.051 0.000 0.766 298 G HN 1.074 nan 8.290 nan 0.000 0.553 330 H N -2.421 116.729 119.070 0.134 0.000 3.064 330 H HA 0.626 5.182 4.556 0.001 0.000 0.352 330 H C -1.592 173.845 175.328 0.181 0.000 1.260 330 H CA -0.832 55.302 56.048 0.144 0.000 1.160 330 H CB 1.316 31.128 29.762 0.085 0.000 1.879 330 H HN 0.075 nan 8.280 nan 0.000 0.544 331 c N 2.070 120.850 118.600 0.301 0.000 2.455 331 c HA 0.467 5.037 4.570 0.001 0.000 0.320 331 c C -0.201 173.979 174.090 0.150 0.000 1.226 331 c CA -0.672 55.777 56.329 0.200 0.000 1.569 331 c CB 0.881 43.504 42.510 0.189 0.000 2.200 331 c HN 0.682 nan 8.230 nan 0.000 0.491 332 N N 2.147 120.906 118.700 0.099 0.000 2.361 332 N HA 0.735 5.475 4.740 0.001 0.000 0.302 332 N C -1.173 174.325 175.510 -0.020 0.000 1.074 332 N CA -0.286 52.794 53.050 0.050 0.000 0.850 332 N CB 1.662 40.195 38.487 0.077 0.000 1.228 332 N HN 0.573 nan 8.380 nan 0.000 0.491 333 I N 0.626 121.165 120.570 -0.052 0.000 2.571 333 I HA 0.299 4.469 4.170 0.001 0.000 0.289 333 I C -0.050 176.049 176.117 -0.030 0.000 1.115 333 I CA -1.170 60.081 61.300 -0.082 0.000 1.045 333 I CB 1.993 39.859 38.000 -0.224 0.000 1.238 333 I HN 0.419 nan 8.210 nan 0.000 0.424 334 A N 5.995 128.819 122.820 0.007 0.000 2.526 334 A HA 0.076 4.397 4.320 0.001 0.000 0.267 334 A C 1.538 179.164 177.584 0.070 0.000 1.095 334 A CA 0.212 52.270 52.037 0.034 0.000 0.775 334 A CB -0.072 18.950 19.000 0.038 0.000 1.036 334 A HN 0.966 nan 8.150 nan 0.000 0.510 335 R N 2.799 123.338 120.500 0.064 0.000 2.091 335 R HA -0.186 4.154 4.340 0.001 0.000 0.238 335 R C 2.173 178.552 176.300 0.131 0.000 1.136 335 R CA 1.760 57.923 56.100 0.105 0.000 0.959 335 R CB -0.310 30.033 30.300 0.072 0.000 0.856 335 R HN 0.834 nan 8.270 nan 0.000 0.437 336 A N 1.665 124.537 122.820 0.087 0.000 1.892 336 A HA -0.205 4.116 4.320 0.001 0.000 0.218 336 A C 1.994 179.625 177.584 0.078 0.000 1.188 336 A CA 1.720 53.801 52.037 0.074 0.000 0.631 336 A CB -0.418 18.612 19.000 0.050 0.000 0.822 336 A HN 0.247 nan 8.150 nan 0.000 0.447 337 K N -1.304 119.148 120.400 0.086 0.000 2.097 337 K HA -0.162 4.159 4.320 0.001 0.000 0.206 337 K C 1.958 178.624 176.600 0.111 0.000 1.049 337 K CA 1.114 57.448 56.287 0.079 0.000 0.933 337 K CB -0.390 32.158 32.500 0.080 0.000 0.717 337 K HN 0.860 nan 8.250 nan 0.000 0.442 338 W N 2.359 123.624 121.300 -0.059 0.000 2.408 338 W HA -0.227 4.434 4.660 0.001 0.000 0.311 338 W C 1.866 178.341 176.519 -0.072 0.000 1.190 338 W CA 1.460 58.747 57.345 -0.096 0.000 1.321 338 W CB -0.348 29.044 29.460 -0.113 0.000 1.143 338 W HN 0.184 nan 8.180 nan 0.000 0.501 339 N N 1.068 119.805 118.700 0.062 0.000 2.060 339 N HA -0.325 4.416 4.740 0.001 0.000 0.195 339 N C 1.644 177.137 175.510 -0.029 0.000 1.028 339 N CA 2.490 55.580 53.050 0.066 0.000 0.861 339 N CB -1.181 37.398 38.487 0.153 0.000 1.029 339 N HN 0.159 nan 8.380 nan 0.000 0.428 340 N N -1.278 117.393 118.700 -0.047 0.000 2.166 340 N HA -0.122 4.619 4.740 0.001 0.000 0.186 340 N C 1.024 176.388 175.510 -0.242 0.000 1.019 340 N CA 1.685 54.678 53.050 -0.095 0.000 0.856 340 N CB -0.183 38.277 38.487 -0.045 0.000 0.993 340 N HN 0.314 nan 8.380 nan 0.000 0.426 341 T N 1.882 116.239 114.554 -0.328 0.000 2.788 341 T HA -0.035 4.315 4.350 0.001 0.000 0.268 341 T C 2.020 176.330 174.700 -0.650 0.000 1.044 341 T CA 0.546 62.370 62.100 -0.460 0.000 1.139 341 T CB -0.070 68.478 68.868 -0.532 0.000 0.867 341 T HN 0.186 nan 8.240 nan 0.000 0.454 342 L N 0.882 121.604 121.223 -0.834 0.000 1.989 342 L HA -0.142 4.199 4.340 0.001 0.000 0.211 342 L C 2.832 179.128 176.870 -0.957 0.000 1.071 342 L CA 1.505 55.805 54.840 -0.900 0.000 0.749 342 L CB -0.561 41.068 42.059 -0.717 0.000 0.890 342 L HN 0.228 nan 8.230 nan 0.000 0.431 343 K N 0.345 120.102 120.400 -1.072 0.000 2.034 343 K HA -0.290 4.030 4.320 0.001 0.000 0.214 343 K C 2.030 178.320 176.600 -0.516 0.000 1.051 343 K CA 2.069 57.734 56.287 -1.037 0.000 0.931 343 K CB -0.189 32.027 32.500 -0.473 0.000 0.715 343 K HN 0.400 nan 8.250 nan 0.000 0.446 344 Q N 0.188 119.773 119.800 -0.359 0.000 2.096 344 Q HA -0.144 4.197 4.340 0.001 0.000 0.204 344 Q C 2.276 178.148 176.000 -0.214 0.000 0.982 344 Q CA 1.843 57.512 55.803 -0.223 0.000 0.850 344 Q CB -0.124 28.500 28.738 -0.191 0.000 0.901 344 Q HN 0.430 nan 8.270 nan 0.000 0.422 345 I N 0.297 120.695 120.570 -0.287 0.000 2.163 345 I HA -0.269 3.901 4.170 0.001 0.000 0.240 345 I C 2.475 178.492 176.117 -0.168 0.000 1.081 345 I CA 0.903 62.080 61.300 -0.204 0.000 1.353 345 I CB -0.583 37.283 38.000 -0.224 0.000 1.054 345 I HN 0.167 nan 8.210 nan 0.000 0.407 346 A N 0.163 122.827 122.820 -0.260 0.000 1.927 346 A HA -0.310 4.011 4.320 0.001 0.000 0.220 346 A C 2.516 180.085 177.584 -0.025 0.000 1.185 346 A CA 2.604 54.461 52.037 -0.301 0.000 0.639 346 A CB -0.988 17.571 19.000 -0.735 0.000 0.820 346 A HN 0.447 nan 8.150 nan 0.000 0.451 347 S N -0.842 114.887 115.700 0.049 0.000 2.368 347 S HA -0.155 4.316 4.470 0.001 0.000 0.225 347 S C 1.974 176.597 174.600 0.038 0.000 1.030 347 S CA 1.562 59.860 58.200 0.163 0.000 0.999 347 S CB -0.281 62.980 63.200 0.102 0.000 0.844 347 S HN 0.494 nan 8.310 nan 0.000 0.459 348 K N 0.604 120.991 120.400 -0.022 0.000 2.439 348 K HA 0.138 4.458 4.320 0.001 0.000 0.197 348 K C 1.783 178.374 176.600 -0.016 0.000 1.041 348 K CA 0.412 56.675 56.287 -0.039 0.000 0.970 348 K CB -0.178 32.288 32.500 -0.057 0.000 0.773 348 K HN 0.458 nan 8.250 nan 0.000 0.479 349 L N -0.439 120.795 121.223 0.019 0.000 2.221 349 L HA 0.060 4.401 4.340 0.001 0.000 0.202 349 L C 2.531 179.558 176.870 0.260 0.000 1.074 349 L CA 0.349 55.273 54.840 0.141 0.000 0.795 349 L CB -0.281 41.716 42.059 -0.103 0.000 0.960 349 L HN 0.036 nan 8.230 nan 0.000 0.458 350 R N 0.799 121.407 120.500 0.181 0.000 2.159 350 R HA -0.221 4.120 4.340 0.001 0.000 0.237 350 R C 1.941 178.285 176.300 0.074 0.000 1.131 350 R CA 1.506 57.717 56.100 0.185 0.000 0.982 350 R CB 0.014 30.435 30.300 0.203 0.000 0.868 350 R HN 0.389 nan 8.270 nan 0.000 0.453 351 E N -0.435 119.771 120.200 0.010 0.000 2.478 351 E HA -0.158 4.192 4.350 0.001 0.000 0.194 351 E C 1.411 177.918 176.600 -0.155 0.000 1.045 351 E CA 0.441 56.800 56.400 -0.070 0.000 0.868 351 E CB 0.359 30.010 29.700 -0.081 0.000 0.885 351 E HN 0.239 nan 8.360 nan 0.000 0.505 352 Q N -0.909 118.766 119.800 -0.208 0.000 2.316 352 Q HA 0.123 4.464 4.340 0.001 0.000 0.235 352 Q C -0.360 175.209 176.000 -0.719 0.000 0.863 352 Q CA 0.324 55.782 55.803 -0.574 0.000 0.939 352 Q CB 0.481 28.690 28.738 -0.881 0.000 1.108 352 Q HN 0.184 nan 8.270 nan 0.000 0.522 353 F N 0.315 120.260 119.950 -0.008 0.000 2.679 353 F HA 0.601 5.129 4.527 0.001 0.000 0.354 353 F C 0.144 175.963 175.800 0.031 0.000 1.423 353 F CA -0.271 57.751 58.000 0.037 0.000 1.141 353 F CB 1.454 40.526 39.000 0.119 0.000 1.168 353 F HN 0.046 nan 8.300 nan 0.000 0.530 354 G N 1.177 110.034 108.800 0.095 0.000 3.402 354 G HA2 -0.267 3.694 3.960 0.001 0.000 0.686 354 G HA3 -0.267 3.694 3.960 0.001 0.000 0.686 354 G C 0.292 175.224 174.900 0.053 0.000 0.983 354 G CA -0.801 44.338 45.100 0.066 0.000 0.821 354 G HN 0.327 nan 8.290 nan 0.000 0.500 355 N N 0.716 119.418 118.700 0.003 0.000 2.519 355 N HA -0.089 4.652 4.740 0.001 0.000 0.186 355 N C 1.222 176.705 175.510 -0.045 0.000 1.062 355 N CA 1.333 54.364 53.050 -0.032 0.000 0.910 355 N CB 0.015 38.469 38.487 -0.056 0.000 0.958 355 N HN 0.735 nan 8.380 nan 0.000 0.445 356 N N 0.102 118.799 118.700 -0.004 0.000 2.660 356 N HA 0.116 4.857 4.740 0.001 0.000 0.316 356 N C -1.118 174.427 175.510 0.058 0.000 1.774 356 N CA -0.187 52.864 53.050 0.002 0.000 0.946 356 N CB 0.314 38.799 38.487 -0.004 0.000 1.322 356 N HN -0.084 nan 8.380 nan 0.000 0.492 357 K N 0.181 120.644 120.400 0.104 0.000 2.156 357 K HA 0.328 4.649 4.320 0.001 0.000 0.254 357 K C -0.584 176.149 176.600 0.222 0.000 0.950 357 K CA -0.610 55.764 56.287 0.145 0.000 0.849 357 K CB 1.785 34.380 32.500 0.158 0.000 1.100 357 K HN 0.068 nan 8.250 nan 0.000 0.434 358 T N 3.278 117.939 114.554 0.178 0.000 2.761 358 T HA 0.237 4.588 4.350 0.001 0.000 0.296 358 T C 0.276 175.056 174.700 0.133 0.000 0.934 358 T CA -0.427 61.785 62.100 0.187 0.000 1.091 358 T CB 0.235 69.171 68.868 0.113 0.000 0.896 358 T HN 0.220 nan 8.240 nan 0.000 0.515 359 I N 4.700 125.330 120.570 0.101 0.000 2.315 359 I HA 0.392 4.563 4.170 0.001 0.000 0.291 359 I C 0.219 176.271 176.117 -0.109 0.000 1.006 359 I CA -0.720 60.561 61.300 -0.031 0.000 1.265 359 I CB 0.779 38.654 38.000 -0.207 0.000 1.387 359 I HN 0.571 nan 8.210 nan 0.000 0.475 360 I N 6.432 126.946 120.570 -0.093 0.000 2.433 360 I HA 0.365 4.535 4.170 0.001 0.000 0.292 360 I C -0.749 175.329 176.117 -0.065 0.000 1.001 360 I CA -0.554 60.717 61.300 -0.047 0.000 1.119 360 I CB 1.562 39.579 38.000 0.027 0.000 1.289 360 I HN 0.268 nan 8.210 nan 0.000 0.438 361 F N 5.329 125.448 119.950 0.281 0.000 2.411 361 F HA 0.503 5.031 4.527 0.001 0.000 0.352 361 F C 0.284 176.252 175.800 0.279 0.000 1.123 361 F CA -0.564 57.631 58.000 0.325 0.000 1.044 361 F CB 1.360 40.580 39.000 0.368 0.000 1.135 361 F HN 0.289 nan 8.300 nan 0.000 0.461 362 K N 2.374 123.030 120.400 0.428 0.000 2.385 362 K HA 0.324 4.645 4.320 0.001 0.000 0.248 362 K C -0.853 175.900 176.600 0.256 0.000 0.955 362 K CA -1.153 55.305 56.287 0.286 0.000 0.816 362 K CB 2.255 34.855 32.500 0.168 0.000 1.250 362 K HN 0.638 nan 8.250 nan 0.000 0.434 363 Q N 0.343 120.273 119.800 0.216 0.000 2.539 363 Q HA 0.028 4.368 4.340 0.001 0.000 0.268 363 Q C 0.027 176.073 176.000 0.077 0.000 1.109 363 Q CA -0.147 55.753 55.803 0.161 0.000 0.968 363 Q CB 0.260 29.084 28.738 0.144 0.000 1.309 363 Q HN 0.388 nan 8.270 nan 0.000 0.497 364 S N 0.351 116.072 115.700 0.036 0.000 2.558 364 S HA -0.020 4.451 4.470 0.001 0.000 0.288 364 S C 0.622 175.239 174.600 0.027 0.000 1.318 364 S CA -0.039 58.168 58.200 0.012 0.000 1.056 364 S CB 0.429 63.636 63.200 0.012 0.000 0.853 364 S HN 0.614 nan 8.310 nan 0.000 0.505 365 S N 2.989 118.698 115.700 0.016 0.000 2.507 365 S HA 0.309 4.779 4.470 0.001 0.000 0.235 365 S C 0.873 175.481 174.600 0.014 0.000 0.988 365 S CA 0.647 58.856 58.200 0.015 0.000 0.944 365 S CB -0.819 62.384 63.200 0.005 0.000 0.762 365 S HN 1.399 nan 8.310 nan 0.000 0.526 366 G N -1.201 107.608 108.800 0.014 0.000 2.406 366 G HA2 0.465 4.425 3.960 0.001 0.000 0.680 366 G HA3 0.465 4.425 3.960 0.001 0.000 0.680 366 G C -0.431 174.472 174.900 0.004 0.000 1.338 366 G CA -0.529 44.578 45.100 0.012 0.000 0.941 366 G HN 0.879 nan 8.290 nan 0.000 0.633 367 G N -0.218 108.582 108.800 -0.000 0.000 2.350 367 G HA2 0.525 4.485 3.960 0.001 0.000 0.282 367 G HA3 0.525 4.485 3.960 0.001 0.000 0.282 367 G C -1.152 173.736 174.900 -0.020 0.000 1.314 367 G CA 0.206 45.299 45.100 -0.011 0.000 0.915 367 G HN 1.066 nan 8.290 nan 0.000 0.499 368 D N 1.107 121.484 120.400 -0.038 0.000 2.419 368 D HA 0.316 4.957 4.640 0.001 0.000 0.236 368 D C -1.099 175.172 176.300 -0.050 0.000 1.165 368 D CA -0.819 53.145 54.000 -0.061 0.000 0.882 368 D CB 1.031 41.774 40.800 -0.094 0.000 1.201 368 D HN 0.040 nan 8.370 nan 0.000 0.443 369 P HA -0.152 nan 4.420 nan 0.000 0.216 369 P C 0.781 178.140 177.300 0.098 0.000 1.150 369 P CA 1.243 64.368 63.100 0.042 0.000 0.843 369 P CB 0.255 31.937 31.700 -0.030 0.000 0.787 370 E N -0.673 119.449 120.200 -0.130 0.000 2.209 370 E HA -0.152 4.199 4.350 0.001 0.000 0.196 370 E C 1.611 178.155 176.600 -0.094 0.000 0.993 370 E CA 1.065 57.163 56.400 -0.503 0.000 0.819 370 E CB -0.839 28.176 29.700 -1.142 0.000 0.745 370 E HN 0.460 nan 8.360 nan 0.000 0.477 371 I N -4.238 116.316 120.570 -0.027 0.000 4.082 371 I HA 0.146 4.317 4.170 0.001 0.000 0.337 371 I C 1.053 177.211 176.117 0.068 0.000 1.352 371 I CA 0.109 61.438 61.300 0.049 0.000 1.097 371 I CB 0.835 38.845 38.000 0.016 0.000 1.048 371 I HN -0.169 nan 8.210 nan 0.000 0.393 372 V N 0.472 120.434 119.914 0.081 0.000 3.379 372 V HA 0.170 4.291 4.120 0.001 0.000 0.249 372 V C 1.201 177.379 176.094 0.141 0.000 1.184 372 V CA 1.337 63.689 62.300 0.086 0.000 1.106 372 V CB -0.034 31.829 31.823 0.066 0.000 0.826 372 V HN 0.662 nan 8.190 nan 0.000 0.465 373 T N -2.335 112.340 114.554 0.201 0.000 2.944 373 T HA 0.320 4.671 4.350 0.001 0.000 0.284 373 T C -0.002 174.903 174.700 0.342 0.000 1.010 373 T CA -0.424 61.840 62.100 0.273 0.000 1.025 373 T CB 1.142 70.211 68.868 0.335 0.000 1.079 373 T HN 0.392 nan 8.240 nan 0.000 0.516 374 H N 0.904 120.139 119.070 0.276 0.000 3.291 374 H HA 0.137 4.694 4.556 0.001 0.000 0.256 374 H C -1.156 174.418 175.328 0.409 0.000 1.315 374 H CA -0.821 55.410 56.048 0.305 0.000 1.521 374 H CB -0.179 29.739 29.762 0.261 0.000 1.621 374 H HN 0.665 nan 8.280 nan 0.000 0.498 375 W N 8.336 129.677 121.300 0.068 0.000 2.390 375 W HA 0.380 5.040 4.660 0.001 0.000 0.312 375 W C -1.749 174.798 176.519 0.048 0.000 1.123 375 W CA -0.849 56.413 57.345 -0.139 0.000 1.202 375 W CB 0.278 29.592 29.460 -0.242 0.000 1.251 375 W HN 0.498 nan 8.180 nan 0.000 0.511 376 F N 4.461 123.981 119.950 -0.718 0.000 2.741 376 F HA 0.477 5.004 4.527 0.001 0.000 0.311 376 F C -1.048 174.375 175.800 -0.628 0.000 1.149 376 F CA -1.519 56.070 58.000 -0.684 0.000 0.930 376 F CB 0.513 39.243 39.000 -0.451 0.000 1.312 376 F HN 0.413 nan 8.300 nan 0.000 0.450 377 N N 0.415 118.795 118.700 -0.533 0.000 2.492 377 N HA 0.414 5.155 4.740 0.001 0.000 0.289 377 N C -1.130 174.157 175.510 -0.372 0.000 1.133 377 N CA -0.737 51.819 53.050 -0.823 0.000 0.961 377 N CB 1.626 39.580 38.487 -0.888 0.000 1.186 377 N HN 1.032 nan 8.380 nan 0.000 0.493 378 c N 1.485 119.840 118.600 -0.409 0.000 3.114 378 c HA 0.673 5.243 4.570 0.001 0.000 0.215 378 c C 0.619 174.527 174.090 -0.305 0.000 1.759 378 c CA 0.350 56.546 56.329 -0.222 0.000 1.455 378 c CB -1.993 40.391 42.510 -0.209 0.000 2.528 378 c HN 1.064 nan 8.230 nan 0.000 0.511 379 G N 1.922 110.528 108.800 -0.322 0.000 2.675 379 G HA2 0.325 4.286 3.960 0.001 0.000 0.196 379 G HA3 0.325 4.286 3.960 0.001 0.000 0.196 379 G C 1.116 175.683 174.900 -0.555 0.000 0.679 379 G CA 0.731 45.421 45.100 -0.684 0.000 0.886 379 G HN 2.307 nan 8.290 nan 0.000 0.320 380 G N 1.854 110.435 108.800 -0.364 0.000 3.444 380 G HA2 -0.300 3.660 3.960 0.001 0.000 0.222 380 G HA3 -0.300 3.660 3.960 0.001 0.000 0.222 380 G C 0.508 175.504 174.900 0.161 0.000 1.358 380 G CA 1.117 46.205 45.100 -0.020 0.000 0.880 380 G HN 1.276 nan 8.290 nan 0.000 0.555 381 E N 0.182 120.354 120.200 -0.047 0.000 2.331 381 E HA 0.580 4.931 4.350 0.001 0.000 0.272 381 E C -0.991 175.542 176.600 -0.111 0.000 1.036 381 E CA -0.456 55.970 56.400 0.042 0.000 0.864 381 E CB 0.715 30.436 29.700 0.035 0.000 1.035 381 E HN 0.219 nan 8.360 nan 0.000 0.408 382 F N 2.124 122.132 119.950 0.097 0.000 2.482 382 F HA 0.350 4.878 4.527 0.001 0.000 0.331 382 F C -0.433 175.380 175.800 0.022 0.000 1.115 382 F CA -0.722 57.291 58.000 0.021 0.000 0.955 382 F CB 0.814 39.937 39.000 0.204 0.000 1.136 382 F HN 0.342 nan 8.300 nan 0.000 0.452 383 F N 2.905 122.554 119.950 -0.502 0.000 2.404 383 F HA 0.373 4.901 4.527 0.001 0.000 0.345 383 F C -0.654 175.001 175.800 -0.241 0.000 1.110 383 F CA -1.082 56.652 58.000 -0.444 0.000 1.130 383 F CB 0.627 39.012 39.000 -1.025 0.000 1.129 383 F HN 0.248 nan 8.300 nan 0.000 0.500 384 Y N 2.146 122.524 120.300 0.130 0.000 2.345 384 Y HA 0.459 5.009 4.550 0.001 0.000 0.331 384 Y C -0.262 175.741 175.900 0.172 0.000 0.959 384 Y CA -0.919 57.301 58.100 0.200 0.000 1.204 384 Y CB 1.321 39.865 38.460 0.140 0.000 1.135 384 Y HN 0.435 nan 8.280 nan 0.000 0.477 385 c N 3.080 121.879 118.600 0.332 0.000 2.379 385 c HA 0.288 4.859 4.570 0.001 0.000 0.323 385 c C 0.475 174.738 174.090 0.287 0.000 1.262 385 c CA -1.269 55.249 56.329 0.315 0.000 1.581 385 c CB 0.930 43.672 42.510 0.387 0.000 2.221 385 c HN 0.741 nan 8.230 nan 0.000 0.497 386 N N 1.839 120.672 118.700 0.222 0.000 2.498 386 N HA -0.021 4.720 4.740 0.001 0.000 0.277 386 N C 0.940 176.563 175.510 0.188 0.000 1.208 386 N CA 0.135 53.295 53.050 0.185 0.000 1.029 386 N CB 0.557 39.126 38.487 0.136 0.000 1.403 386 N HN 0.841 nan 8.380 nan 0.000 0.500 387 S N 0.768 116.612 115.700 0.238 0.000 2.768 387 S HA -0.033 4.437 4.470 0.001 0.000 0.246 387 S C 1.454 176.240 174.600 0.310 0.000 1.006 387 S CA -0.229 58.128 58.200 0.262 0.000 1.075 387 S CB 0.023 63.453 63.200 0.384 0.000 0.786 387 S HN 0.403 nan 8.310 nan 0.000 0.468 388 T N 1.685 116.369 114.554 0.218 0.000 2.985 388 T HA -0.041 4.310 4.350 0.001 0.000 0.266 388 T C 1.654 176.465 174.700 0.186 0.000 1.076 388 T CA 1.161 63.390 62.100 0.214 0.000 1.135 388 T CB -0.256 68.702 68.868 0.149 0.000 0.890 388 T HN 0.693 nan 8.240 nan 0.000 0.480 389 Q N 0.094 119.964 119.800 0.116 0.000 2.378 389 Q HA 0.202 4.543 4.340 0.001 0.000 0.205 389 Q C 2.087 178.106 176.000 0.033 0.000 0.954 389 Q CA 0.596 56.440 55.803 0.068 0.000 0.901 389 Q CB -0.008 28.744 28.738 0.023 0.000 0.981 389 Q HN 0.477 nan 8.270 nan 0.000 0.483 390 L N -0.830 120.372 121.223 -0.035 0.000 2.307 390 L HA 0.086 4.427 4.340 0.001 0.000 0.211 390 L C 0.234 176.929 176.870 -0.291 0.000 1.099 390 L CA 0.448 55.146 54.840 -0.238 0.000 0.816 390 L CB 0.289 41.937 42.059 -0.684 0.000 0.952 390 L HN 0.122 nan 8.230 nan 0.000 0.455 391 F N 0.221 120.298 119.950 0.211 0.000 2.449 391 F HA 0.322 4.849 4.527 0.001 0.000 0.329 391 F C 0.152 176.100 175.800 0.246 0.000 1.245 391 F CA -0.586 57.553 58.000 0.232 0.000 1.193 391 F CB 0.264 39.392 39.000 0.213 0.000 1.425 391 F HN -0.107 nan 8.300 nan 0.000 0.544 392 N N 1.790 120.692 118.700 0.338 0.000 2.732 392 N HA 0.199 4.940 4.740 0.001 0.000 0.230 392 N C -1.355 174.275 175.510 0.201 0.000 1.487 392 N CA -0.073 53.126 53.050 0.249 0.000 0.765 392 N CB 0.662 39.254 38.487 0.176 0.000 1.384 392 N HN 0.277 nan 8.380 nan 0.000 0.530 393 S N -0.902 114.955 115.700 0.262 0.000 2.565 393 S HA 0.683 5.153 4.470 0.001 0.000 0.269 393 S C -1.041 173.609 174.600 0.083 0.000 1.153 393 S CA -0.629 57.644 58.200 0.122 0.000 0.835 393 S CB 1.654 64.940 63.200 0.144 0.000 1.122 393 S HN 0.012 nan 8.310 nan 0.000 0.462 394 T N 1.812 116.261 114.554 -0.174 0.000 2.829 394 T HA 0.613 4.964 4.350 0.001 0.000 0.280 394 T C -1.528 172.913 174.700 -0.431 0.000 0.999 394 T CA -0.245 61.759 62.100 -0.161 0.000 0.983 394 T CB 0.536 69.343 68.868 -0.102 0.000 0.968 394 T HN 0.630 nan 8.240 nan 0.000 0.446 395 W N 2.048 123.206 121.300 -0.236 0.000 2.702 395 W HA 0.577 5.238 4.660 0.001 0.000 0.331 395 W C -0.704 175.547 176.519 -0.448 0.000 1.049 395 W CA -1.086 55.963 57.345 -0.493 0.000 1.230 395 W CB 0.678 29.655 29.460 -0.806 0.000 1.408 395 W HN 0.662 nan 8.180 nan 0.000 0.492 396 F N 1.602 121.677 119.950 0.208 0.000 3.040 396 F HA -0.296 4.232 4.527 0.001 0.000 0.298 396 F C 0.220 176.053 175.800 0.055 0.000 0.948 396 F CA -0.245 57.828 58.000 0.121 0.000 1.022 396 F CB -1.912 37.162 39.000 0.123 0.000 1.023 396 F HN 0.405 nan 8.300 nan 0.000 0.742 397 N N 0.884 119.657 118.700 0.122 0.000 2.898 397 N HA 0.316 5.056 4.740 0.001 0.000 0.245 397 N C -0.204 175.330 175.510 0.040 0.000 1.185 397 N CA 0.441 53.527 53.050 0.061 0.000 0.879 397 N CB 1.123 39.611 38.487 0.001 0.000 1.157 397 N HN 0.314 nan 8.380 nan 0.000 0.503 411 S N 0.681 116.386 115.700 0.009 0.000 2.606 411 S HA 0.288 4.758 4.470 0.001 0.000 0.257 411 S C 1.308 175.916 174.600 0.014 0.000 1.327 411 S CA 1.147 59.352 58.200 0.008 0.000 0.984 411 S CB 0.828 64.030 63.200 0.003 0.000 0.941 411 S HN 0.559 nan 8.310 nan 0.000 0.576 412 D N -0.299 120.109 120.400 0.013 0.000 2.349 412 D HA 0.133 4.774 4.640 0.001 0.000 0.215 412 D C 0.458 176.769 176.300 0.019 0.000 1.016 412 D CA 0.269 54.280 54.000 0.018 0.000 0.870 412 D CB 0.005 40.814 40.800 0.016 0.000 0.917 412 D HN 0.349 nan 8.370 nan 0.000 0.524 413 T N -0.193 114.369 114.554 0.012 0.000 3.011 413 T HA 0.424 4.775 4.350 0.001 0.000 0.303 413 T C -0.928 173.770 174.700 -0.003 0.000 0.997 413 T CA -0.894 61.211 62.100 0.008 0.000 1.007 413 T CB 0.469 69.342 68.868 0.008 0.000 1.017 413 T HN 0.054 nan 8.240 nan 0.000 0.443 414 I N 4.343 124.905 120.570 -0.014 0.000 2.496 414 I HA 0.304 4.474 4.170 0.001 0.000 0.285 414 I C 0.493 176.592 176.117 -0.030 0.000 1.080 414 I CA -0.241 61.040 61.300 -0.032 0.000 1.404 414 I CB 1.309 39.262 38.000 -0.077 0.000 1.403 414 I HN 0.575 nan 8.210 nan 0.000 0.539 415 T N 7.410 121.953 114.554 -0.017 0.000 2.815 415 T HA 0.496 4.847 4.350 0.001 0.000 0.289 415 T C -0.214 174.505 174.700 0.032 0.000 1.000 415 T CA -0.522 61.582 62.100 0.006 0.000 0.958 415 T CB 0.877 69.721 68.868 -0.039 0.000 0.944 415 T HN 0.275 nan 8.240 nan 0.000 0.442 416 L N 5.397 126.668 121.223 0.079 0.000 2.289 416 L HA 0.423 4.764 4.340 0.001 0.000 0.285 416 L C -2.265 174.706 176.870 0.168 0.000 1.049 416 L CA -2.396 52.511 54.840 0.112 0.000 0.804 416 L CB 1.081 43.216 42.059 0.127 0.000 1.195 416 L HN 0.288 nan 8.230 nan 0.000 0.428 417 P HA 0.156 nan 4.420 nan 0.000 0.276 417 P C -1.007 176.390 177.300 0.162 0.000 1.230 417 P CA -0.318 62.866 63.100 0.140 0.000 0.776 417 P CB 0.767 32.525 31.700 0.096 0.000 0.888 418 c N 3.462 122.148 118.600 0.143 0.000 2.712 418 c HA 0.635 5.205 4.570 0.001 0.000 0.308 418 c C -0.020 174.076 174.090 0.010 0.000 1.201 418 c CA -0.378 56.019 56.329 0.113 0.000 1.554 418 c CB 1.899 44.493 42.510 0.140 0.000 2.117 418 c HN 0.482 nan 8.230 nan 0.000 0.480 419 R N 1.617 122.126 120.500 0.014 0.000 2.494 419 R HA 0.761 5.102 4.340 0.001 0.000 0.305 419 R C -1.346 174.899 176.300 -0.092 0.000 0.959 419 R CA -0.443 55.631 56.100 -0.043 0.000 0.864 419 R CB 0.623 30.905 30.300 -0.030 0.000 1.159 419 R HN 0.692 nan 8.270 nan 0.000 0.446 420 I N 4.403 124.854 120.570 -0.198 0.000 2.382 420 I HA 0.397 4.567 4.170 0.001 0.000 0.285 420 I C -0.223 175.857 176.117 -0.061 0.000 1.007 420 I CA -0.672 60.471 61.300 -0.262 0.000 1.142 420 I CB 1.236 38.928 38.000 -0.513 0.000 1.289 420 I HN 0.161 nan 8.210 nan 0.000 0.453 421 K N 5.842 126.306 120.400 0.107 0.000 2.375 421 K HA 0.490 4.811 4.320 0.001 0.000 0.249 421 K C -0.781 175.963 176.600 0.241 0.000 0.942 421 K CA -0.811 55.554 56.287 0.131 0.000 0.806 421 K CB 2.638 35.198 32.500 0.101 0.000 1.227 421 K HN 0.518 nan 8.250 nan 0.000 0.430 422 Q N 1.608 121.507 119.800 0.165 0.000 2.259 422 Q HA 0.460 4.800 4.340 0.001 0.000 0.246 422 Q C -0.286 175.823 176.000 0.180 0.000 0.920 422 Q CA -0.253 55.683 55.803 0.221 0.000 0.895 422 Q CB 1.099 29.915 28.738 0.130 0.000 1.220 422 Q HN 0.456 nan 8.270 nan 0.000 0.439 423 I N 3.296 124.018 120.570 0.252 0.000 2.595 423 I HA 0.079 4.249 4.170 0.001 0.000 0.276 423 I C 0.239 176.276 176.117 -0.134 0.000 1.109 423 I CA -0.212 61.122 61.300 0.057 0.000 1.084 423 I CB 0.974 38.957 38.000 -0.028 0.000 1.206 423 I HN 0.575 nan 8.210 nan 0.000 0.486 424 I N 4.024 124.285 120.570 -0.516 0.000 2.286 424 I HA -0.275 3.895 4.170 0.001 0.000 0.248 424 I C 2.548 178.388 176.117 -0.461 0.000 1.115 424 I CA 1.395 62.035 61.300 -1.100 0.000 1.392 424 I CB -0.414 37.022 38.000 -0.940 0.000 1.065 424 I HN 0.670 nan 8.210 nan 0.000 0.418 425 N N 0.508 119.087 118.700 -0.201 0.000 2.519 425 N HA -0.194 4.547 4.740 0.001 0.000 0.186 425 N C 1.458 177.015 175.510 0.077 0.000 1.062 425 N CA 1.059 54.080 53.050 -0.048 0.000 0.910 425 N CB -0.202 38.258 38.487 -0.045 0.000 0.958 425 N HN 0.341 nan 8.380 nan 0.000 0.445 426 M N -0.550 119.142 119.600 0.154 0.000 2.428 426 M HA 0.139 4.619 4.480 0.001 0.000 0.239 426 M C -0.420 176.189 176.300 0.515 0.000 1.121 426 M CA -0.170 55.327 55.300 0.328 0.000 1.019 426 M CB -0.175 32.643 32.600 0.364 0.000 1.485 426 M HN 0.058 nan 8.290 nan 0.000 0.484 427 W N 0.467 121.875 121.300 0.179 0.000 2.150 427 W HA 0.099 4.759 4.660 0.001 0.000 0.341 427 W C 0.573 177.185 176.519 0.155 0.000 1.276 427 W CA -1.285 56.147 57.345 0.145 0.000 1.238 427 W CB -0.021 29.490 29.460 0.084 0.000 1.128 427 W HN 0.042 nan 8.180 nan 0.000 0.581 428 c N 4.366 123.185 118.600 0.365 0.000 2.638 428 c HA 0.157 4.728 4.570 0.001 0.000 0.410 428 c C 0.395 174.653 174.090 0.280 0.000 1.404 428 c CA -0.090 56.424 56.329 0.308 0.000 1.651 428 c CB -1.435 41.294 42.510 0.364 0.000 2.495 428 c HN 0.499 nan 8.230 nan 0.000 0.606 429 K N 5.043 125.568 120.400 0.208 0.000 2.626 429 K HA 0.464 4.785 4.320 0.001 0.000 0.223 429 K C -1.008 175.660 176.600 0.113 0.000 0.992 429 K CA -0.329 56.056 56.287 0.164 0.000 1.024 429 K CB 1.156 33.742 32.500 0.144 0.000 1.225 429 K HN 0.582 nan 8.250 nan 0.000 0.498 430 V N 5.000 124.975 119.914 0.102 0.000 2.318 430 V HA 0.736 4.856 4.120 0.001 0.000 0.271 430 V C 0.627 176.752 176.094 0.052 0.000 1.030 430 V CA 1.044 63.382 62.300 0.063 0.000 0.844 430 V CB -0.169 31.683 31.823 0.047 0.000 1.015 430 V HN 0.989 nan 8.190 nan 0.000 0.460 431 G N 6.158 114.983 108.800 0.042 0.000 2.556 431 G HA2 -0.400 3.560 3.960 0.001 0.000 0.283 431 G HA3 -0.400 3.560 3.960 0.001 0.000 0.283 431 G C 0.916 175.843 174.900 0.044 0.000 1.177 431 G CA 0.774 45.895 45.100 0.035 0.000 0.978 431 G HN 1.132 nan 8.290 nan 0.000 0.554 432 K N 0.121 120.546 120.400 0.041 0.000 2.296 432 K HA 0.136 4.457 4.320 0.001 0.000 0.200 432 K C 1.024 177.662 176.600 0.062 0.000 1.048 432 K CA 0.652 56.966 56.287 0.046 0.000 0.966 432 K CB -0.155 32.366 32.500 0.036 0.000 0.754 432 K HN 0.390 nan 8.250 nan 0.000 0.466 433 M N 1.615 121.256 119.600 0.069 0.000 2.211 433 M HA 0.228 4.709 4.480 0.001 0.000 0.356 433 M C -0.218 176.161 176.300 0.131 0.000 1.216 433 M CA -0.006 55.348 55.300 0.091 0.000 1.134 433 M CB 1.086 33.732 32.600 0.076 0.000 1.564 433 M HN 0.116 nan 8.290 nan 0.000 0.463 434 M N 3.418 123.118 119.600 0.166 0.000 2.364 434 M HA 0.336 4.816 4.480 0.001 0.000 0.334 434 M C -1.789 174.679 176.300 0.280 0.000 1.107 434 M CA -0.689 54.753 55.300 0.236 0.000 0.988 434 M CB 1.787 34.541 32.600 0.257 0.000 1.673 434 M HN 0.572 nan 8.290 nan 0.000 0.441 435 Y N 4.261 124.638 120.300 0.127 0.000 2.434 435 Y HA 0.656 5.206 4.550 0.000 0.000 0.341 435 Y C -0.913 174.905 175.900 -0.137 0.000 0.965 435 Y CA -1.413 56.707 58.100 0.032 0.000 1.205 435 Y CB 0.700 39.188 38.460 0.046 0.000 1.121 435 Y HN 0.719 nan 8.280 nan 0.000 0.507 436 A N 9.231 131.813 122.820 -0.396 0.000 2.347 436 A HA 0.533 4.853 4.320 0.001 0.000 0.287 436 A C -2.484 174.416 177.584 -1.140 0.000 1.199 436 A CA -1.399 50.073 52.037 -0.943 0.000 0.851 436 A CB -0.511 18.212 19.000 -0.461 0.000 1.118 436 A HN 0.651 nan 8.150 nan 0.000 0.525 437 P HA 0.325 nan 4.420 nan 0.000 0.274 437 P C -2.455 174.283 177.300 -0.937 0.000 1.246 437 P CA -1.111 61.283 63.100 -1.176 0.000 0.795 437 P CB -0.277 30.707 31.700 -1.193 0.000 1.006 438 P HA -0.026 nan 4.420 nan 0.000 0.269 438 P C 0.578 177.470 177.300 -0.680 0.000 1.211 438 P CA 0.287 62.803 63.100 -0.973 0.000 0.781 438 P CB 0.173 31.080 31.700 -1.321 0.000 0.877 439 I N -0.713 119.555 120.570 -0.503 0.000 2.277 439 I HA -0.095 4.076 4.170 0.001 0.000 0.243 439 I C 1.544 177.530 176.117 -0.217 0.000 1.094 439 I CA 1.771 62.893 61.300 -0.297 0.000 1.393 439 I CB -0.648 37.232 38.000 -0.200 0.000 1.078 439 I HN 0.317 nan 8.210 nan 0.000 0.417 440 S N -1.625 113.956 115.700 -0.198 0.000 6.738 440 S HA 0.157 4.628 4.470 0.001 0.000 0.094 440 S C 1.533 176.079 174.600 -0.089 0.000 1.459 440 S CA 0.070 58.195 58.200 -0.124 0.000 1.010 440 S CB -1.102 62.055 63.200 -0.072 0.000 1.538 440 S HN 0.274 nan 8.310 nan 0.000 0.569 441 G N 1.440 110.210 108.800 -0.049 0.000 2.564 441 G HA2 -0.197 3.763 3.960 0.001 0.000 0.216 441 G HA3 -0.197 3.763 3.960 0.001 0.000 0.216 441 G C 1.085 175.976 174.900 -0.015 0.000 1.124 441 G CA 1.588 46.676 45.100 -0.020 0.000 0.764 441 G HN 0.374 nan 8.290 nan 0.000 0.550 442 Q N 0.241 120.009 119.800 -0.052 0.000 1.956 442 Q HA -0.001 4.340 4.340 0.001 0.000 0.208 442 Q C 1.260 177.268 176.000 0.013 0.000 0.998 442 Q CA 0.976 56.760 55.803 -0.031 0.000 0.855 442 Q CB -0.239 28.354 28.738 -0.241 0.000 0.928 442 Q HN 0.505 nan 8.270 nan 0.000 0.418 443 I N 0.971 121.464 120.570 -0.129 0.000 2.581 443 I HA 0.117 4.287 4.170 0.001 0.000 0.288 443 I C 0.445 176.541 176.117 -0.036 0.000 1.047 443 I CA -0.315 60.927 61.300 -0.096 0.000 1.374 443 I CB 0.958 38.770 38.000 -0.312 0.000 1.423 443 I HN 0.101 nan 8.210 nan 0.000 0.549 444 R N 5.374 125.884 120.500 0.016 0.000 2.296 444 R HA 0.309 4.649 4.340 0.001 0.000 0.327 444 R C -0.797 175.494 176.300 -0.015 0.000 1.137 444 R CA -0.526 55.580 56.100 0.009 0.000 1.020 444 R CB 0.198 30.513 30.300 0.026 0.000 1.110 444 R HN 0.718 nan 8.270 nan 0.000 0.499 445 c N 2.491 121.064 118.600 -0.044 0.000 2.727 445 c HA 0.207 4.777 4.570 0.001 0.000 0.401 445 c C 0.290 174.323 174.090 -0.095 0.000 1.294 445 c CA 0.305 56.570 56.329 -0.107 0.000 2.134 445 c CB 0.255 42.654 42.510 -0.184 0.000 2.724 445 c HN 1.069 nan 8.230 nan 0.000 0.677 446 S N 1.120 116.734 115.700 -0.143 0.000 2.859 446 S HA 0.051 4.521 4.470 0.001 0.000 0.857 446 S C -0.633 173.894 174.600 -0.122 0.000 0.890 446 S CA 0.053 58.171 58.200 -0.135 0.000 1.462 446 S CB -1.332 61.824 63.200 -0.073 0.000 1.049 446 S HN 2.075 nan 8.310 nan 0.000 0.232 447 S N 2.773 118.379 115.700 -0.156 0.000 3.341 447 S HA 0.756 5.227 4.470 0.001 0.000 0.326 447 S C -1.149 173.385 174.600 -0.111 0.000 1.178 447 S CA -1.056 57.068 58.200 -0.127 0.000 1.002 447 S CB 0.790 63.894 63.200 -0.159 0.000 1.385 447 S HN 0.952 nan 8.310 nan 0.000 0.710 448 N N 0.742 119.383 118.700 -0.097 0.000 2.399 448 N HA 0.482 5.222 4.740 0.001 0.000 0.280 448 N C -1.185 174.279 175.510 -0.076 0.000 1.008 448 N CA -0.333 52.674 53.050 -0.073 0.000 0.894 448 N CB 1.477 39.935 38.487 -0.048 0.000 1.273 448 N HN 0.544 nan 8.380 nan 0.000 0.486 449 I N 1.656 122.188 120.570 -0.064 0.000 2.452 449 I HA 0.035 4.206 4.170 0.001 0.000 0.287 449 I C 1.535 177.646 176.117 -0.010 0.000 1.079 449 I CA 0.272 61.548 61.300 -0.041 0.000 1.387 449 I CB 0.563 38.565 38.000 0.004 0.000 1.404 449 I HN 0.581 nan 8.210 nan 0.000 0.522 450 T N 0.768 115.312 114.554 -0.017 0.000 3.016 450 T HA 0.403 4.753 4.350 0.001 0.000 0.271 450 T C 0.406 175.100 174.700 -0.009 0.000 0.968 450 T CA -0.055 62.036 62.100 -0.015 0.000 0.891 450 T CB 0.663 69.519 68.868 -0.021 0.000 1.149 450 T HN 0.742 nan 8.240 nan 0.000 0.524 451 G N 0.572 109.375 108.800 0.004 0.000 2.649 451 G HA2 0.637 4.597 3.960 0.001 0.000 0.290 451 G HA3 0.637 4.597 3.960 0.001 0.000 0.290 451 G C -2.351 172.578 174.900 0.049 0.000 1.426 451 G CA -0.835 44.274 45.100 0.016 0.000 0.794 451 G HN 0.239 nan 8.290 nan 0.000 0.483 452 L N -1.107 120.156 121.223 0.067 0.000 2.359 452 L HA 0.684 5.025 4.340 0.001 0.000 0.256 452 L C -0.551 176.385 176.870 0.109 0.000 1.026 452 L CA -0.584 54.328 54.840 0.120 0.000 0.828 452 L CB 2.309 44.468 42.059 0.166 0.000 1.406 452 L HN 0.430 nan 8.230 nan 0.000 0.413 453 L N 2.545 123.839 121.223 0.119 0.000 2.417 453 L HA 0.502 4.842 4.340 0.001 0.000 0.259 453 L C -1.045 175.884 176.870 0.098 0.000 1.023 453 L CA -0.130 54.770 54.840 0.101 0.000 0.901 453 L CB 0.783 42.894 42.059 0.086 0.000 1.227 453 L HN 0.351 nan 8.230 nan 0.000 0.454 454 L N 1.997 123.307 121.223 0.146 0.000 2.379 454 L HA 0.678 5.018 4.340 0.001 0.000 0.269 454 L C 0.369 177.348 176.870 0.181 0.000 1.084 454 L CA -0.488 54.469 54.840 0.195 0.000 0.802 454 L CB 1.840 44.099 42.059 0.334 0.000 1.175 454 L HN 0.469 nan 8.230 nan 0.000 0.448 455 T N -1.176 113.472 114.554 0.158 0.000 2.881 455 T HA 0.461 4.812 4.350 0.001 0.000 0.290 455 T C -0.541 174.168 174.700 0.014 0.000 1.000 455 T CA -0.942 61.208 62.100 0.084 0.000 0.978 455 T CB 2.049 70.935 68.868 0.029 0.000 0.997 455 T HN 0.526 nan 8.240 nan 0.000 0.443 456 R N 1.379 121.823 120.500 -0.092 0.000 2.404 456 R HA 0.367 4.707 4.340 0.001 0.000 0.291 456 R C -1.022 175.099 176.300 -0.298 0.000 1.025 456 R CA -0.606 55.248 56.100 -0.411 0.000 0.991 456 R CB 0.531 30.519 30.300 -0.520 0.000 1.053 456 R HN 0.626 nan 8.270 nan 0.000 0.479 457 D N 2.213 122.396 120.400 -0.360 0.000 2.325 457 D HA 0.208 4.849 4.640 0.001 0.000 0.251 457 D C 0.306 176.483 176.300 -0.206 0.000 1.196 457 D CA 0.276 54.146 54.000 -0.217 0.000 0.866 457 D CB 1.630 42.325 40.800 -0.175 0.000 1.101 457 D HN 0.649 nan 8.370 nan 0.000 0.476 458 G N 0.711 109.434 108.800 -0.128 0.000 2.543 458 G HA2 0.584 4.545 3.960 0.001 0.000 0.267 458 G HA3 0.584 4.545 3.960 0.001 0.000 0.267 458 G C 0.678 175.539 174.900 -0.065 0.000 1.406 458 G CA -0.001 45.043 45.100 -0.093 0.000 1.048 458 G HN 0.697 nan 8.290 nan 0.000 0.548 459 G N 0.287 109.064 108.800 -0.039 0.000 2.574 459 G HA2 -0.384 3.577 3.960 0.001 0.000 0.286 459 G HA3 -0.384 3.577 3.960 0.001 0.000 0.286 459 G C 1.307 176.190 174.900 -0.027 0.000 1.212 459 G CA 1.292 46.376 45.100 -0.026 0.000 0.979 459 G HN 1.410 nan 8.290 nan 0.000 0.557 460 N N 0.609 119.295 118.700 -0.023 0.000 2.187 460 N HA -0.144 4.596 4.740 0.001 0.000 0.194 460 N C 1.838 177.333 175.510 -0.026 0.000 1.002 460 N CA 2.460 55.498 53.050 -0.020 0.000 0.882 460 N CB -0.479 37.998 38.487 -0.017 0.000 1.003 460 N HN 0.761 nan 8.380 nan 0.000 0.443 461 S N -0.620 115.054 115.700 -0.044 0.000 2.967 461 S HA 0.101 4.572 4.470 0.001 0.000 0.254 461 S C 0.221 174.787 174.600 -0.057 0.000 1.089 461 S CA -0.246 57.919 58.200 -0.058 0.000 1.183 461 S CB -1.128 62.014 63.200 -0.095 0.000 0.848 461 S HN 0.418 nan 8.310 nan 0.000 0.477 462 N N 1.717 120.400 118.700 -0.028 0.000 2.535 462 N HA 0.242 4.983 4.740 0.001 0.000 0.294 462 N C 0.643 176.159 175.510 0.010 0.000 1.408 462 N CA -0.319 52.726 53.050 -0.007 0.000 0.927 462 N CB 0.196 38.686 38.487 0.004 0.000 1.276 462 N HN 0.640 nan 8.380 nan 0.000 0.505 463 N N -1.226 117.479 118.700 0.007 0.000 2.833 463 N HA 0.112 4.852 4.740 0.001 0.000 0.168 463 N C 0.431 175.957 175.510 0.026 0.000 1.383 463 N CA -0.253 52.807 53.050 0.016 0.000 1.103 463 N CB 0.312 38.805 38.487 0.010 0.000 1.235 463 N HN -0.067 nan 8.380 nan 0.000 0.437 464 E N 0.905 121.119 120.200 0.024 0.000 2.140 464 E HA 0.074 4.425 4.350 0.001 0.000 0.191 464 E C 0.499 177.126 176.600 0.046 0.000 0.973 464 E CA 0.632 57.053 56.400 0.035 0.000 0.829 464 E CB 0.262 29.981 29.700 0.031 0.000 0.781 464 E HN 0.498 nan 8.360 nan 0.000 0.466 465 S N 0.131 115.850 115.700 0.030 0.000 2.599 465 S HA 0.542 5.013 4.470 0.001 0.000 0.294 465 S C -0.283 174.313 174.600 -0.006 0.000 1.094 465 S CA -0.917 57.303 58.200 0.033 0.000 0.931 465 S CB 2.902 66.120 63.200 0.029 0.000 1.093 465 S HN -0.193 nan 8.310 nan 0.000 0.488 466 E N 0.740 120.936 120.200 -0.006 0.000 2.227 466 E HA 0.535 4.885 4.350 0.001 0.000 0.268 466 E C -0.975 175.547 176.600 -0.129 0.000 0.907 466 E CA -0.598 55.724 56.400 -0.130 0.000 0.786 466 E CB 2.130 31.725 29.700 -0.174 0.000 1.191 466 E HN 0.654 nan 8.360 nan 0.000 0.411 467 I N 2.726 123.101 120.570 -0.324 0.000 2.436 467 I HA 0.341 4.512 4.170 0.001 0.000 0.289 467 I C -0.924 174.958 176.117 -0.392 0.000 1.010 467 I CA -0.657 60.526 61.300 -0.196 0.000 1.098 467 I CB 0.828 38.765 38.000 -0.104 0.000 1.266 467 I HN 0.280 nan 8.210 nan 0.000 0.434 468 F N 5.152 125.069 119.950 -0.055 0.000 2.495 468 F HA 0.621 5.149 4.527 0.001 0.000 0.327 468 F C 0.195 176.089 175.800 0.157 0.000 1.103 468 F CA -0.680 57.348 58.000 0.047 0.000 0.949 468 F CB 1.595 40.655 39.000 0.099 0.000 1.142 468 F HN 0.241 nan 8.300 nan 0.000 0.457 469 R N 1.869 122.503 120.500 0.223 0.000 2.807 469 R HA 0.509 4.850 4.340 0.001 0.000 0.276 469 R C -2.933 173.326 176.300 -0.069 0.000 0.979 469 R CA -2.273 53.876 56.100 0.081 0.000 0.928 469 R CB 1.771 32.088 30.300 0.027 0.000 1.191 469 R HN 0.234 nan 8.270 nan 0.000 0.471 470 P HA 0.046 nan 4.420 nan 0.000 0.267 470 P C -0.403 176.800 177.300 -0.162 0.000 1.205 470 P CA 0.221 63.018 63.100 -0.504 0.000 0.765 470 P CB 0.930 32.096 31.700 -0.891 0.000 0.828 471 G N 1.324 110.090 108.800 -0.056 0.000 3.302 471 G HA2 0.688 4.649 3.960 0.001 0.000 0.170 471 G HA3 0.688 4.649 3.960 0.001 0.000 0.170 471 G C 0.161 175.092 174.900 0.051 0.000 1.119 471 G CA -0.292 44.814 45.100 0.009 0.000 0.826 471 G HN 0.773 nan 8.290 nan 0.000 0.646 472 G N -1.532 107.305 108.800 0.061 0.000 2.512 472 G HA2 0.334 4.294 3.960 0.001 0.000 0.240 472 G HA3 0.334 4.294 3.960 0.001 0.000 0.240 472 G C 1.410 176.372 174.900 0.103 0.000 1.246 472 G CA 1.444 46.596 45.100 0.086 0.000 0.919 472 G HN 2.586 nan 8.290 nan 0.000 0.577 473 G N -1.142 107.755 108.800 0.161 0.000 2.225 473 G HA2 -0.065 3.895 3.960 0.001 0.000 0.254 473 G HA3 -0.065 3.895 3.960 0.001 0.000 0.254 473 G C 0.236 175.228 174.900 0.154 0.000 0.988 473 G CA 1.405 46.614 45.100 0.183 0.000 0.625 473 G HN 1.936 nan 8.290 nan 0.000 0.527 474 D N 0.683 121.149 120.400 0.109 0.000 2.454 474 D HA 0.556 5.196 4.640 0.001 0.000 0.225 474 D C 1.747 178.080 176.300 0.055 0.000 1.081 474 D CA -0.769 53.276 54.000 0.074 0.000 0.864 474 D CB 0.266 41.088 40.800 0.036 0.000 1.040 474 D HN -0.041 nan 8.370 nan 0.000 0.517 475 M N 2.752 122.386 119.600 0.056 0.000 2.374 475 M HA -0.034 4.447 4.480 0.001 0.000 0.264 475 M C 1.652 177.933 176.300 -0.031 0.000 1.067 475 M CA 0.863 56.182 55.300 0.033 0.000 1.103 475 M CB -0.376 32.320 32.600 0.160 0.000 1.402 475 M HN 0.388 nan 8.290 nan 0.000 0.444 476 R N 0.308 120.709 120.500 -0.165 0.000 2.096 476 R HA -0.146 4.195 4.340 0.001 0.000 0.235 476 R C 1.704 178.030 176.300 0.044 0.000 1.127 476 R CA 1.292 57.343 56.100 -0.082 0.000 0.968 476 R CB -0.226 30.001 30.300 -0.121 0.000 0.861 476 R HN 0.330 nan 8.270 nan 0.000 0.440 477 D N 0.038 120.446 120.400 0.014 0.000 2.144 477 D HA -0.121 4.519 4.640 0.001 0.000 0.199 477 D C 1.355 177.699 176.300 0.074 0.000 0.984 477 D CA 1.176 55.196 54.000 0.033 0.000 0.834 477 D CB -0.293 40.520 40.800 0.022 0.000 0.955 477 D HN 0.178 nan 8.370 nan 0.000 0.465 478 N N -0.065 118.654 118.700 0.031 0.000 2.043 478 N HA -0.152 4.589 4.740 0.001 0.000 0.193 478 N C 1.641 177.126 175.510 -0.043 0.000 1.037 478 N CA 1.059 54.080 53.050 -0.050 0.000 0.851 478 N CB -0.452 37.928 38.487 -0.179 0.000 1.027 478 N HN 0.315 nan 8.380 nan 0.000 0.422 479 W N 1.317 122.643 121.300 0.043 0.000 2.342 479 W HA -0.029 4.632 4.660 0.002 0.000 0.297 479 W C 2.385 178.978 176.519 0.123 0.000 1.213 479 W CA 0.659 58.042 57.345 0.063 0.000 1.251 479 W CB -0.134 29.343 29.460 0.028 0.000 1.136 479 W HN 0.025 nan 8.180 nan 0.000 0.526 480 R N 0.367 121.079 120.500 0.353 0.000 2.120 480 R HA -0.171 4.170 4.340 0.001 0.000 0.234 480 R C 2.414 179.012 176.300 0.497 0.000 1.123 480 R CA 1.713 58.059 56.100 0.411 0.000 0.975 480 R CB -0.813 29.662 30.300 0.292 0.000 0.866 480 R HN 0.236 nan 8.270 nan 0.000 0.446 481 S N 0.503 116.410 115.700 0.345 0.000 2.419 481 S HA -0.139 4.332 4.470 0.001 0.000 0.235 481 S C 1.484 176.309 174.600 0.374 0.000 1.019 481 S CA 1.134 59.509 58.200 0.292 0.000 0.982 481 S CB 0.043 63.332 63.200 0.149 0.000 0.789 481 S HN 0.276 nan 8.310 nan 0.000 0.490 482 E N 0.369 120.780 120.200 0.352 0.000 2.413 482 E HA 0.304 4.655 4.350 0.001 0.000 0.203 482 E C 1.376 178.173 176.600 0.328 0.000 0.957 482 E CA 0.188 56.803 56.400 0.358 0.000 0.950 482 E CB 0.138 30.011 29.700 0.288 0.000 0.957 482 E HN 0.527 nan 8.360 nan 0.000 0.497 483 L N 1.499 122.923 121.223 0.334 0.000 2.700 483 L HA 0.115 4.456 4.340 0.001 0.000 0.234 483 L C 1.780 178.765 176.870 0.192 0.000 1.156 483 L CA -0.150 54.865 54.840 0.292 0.000 0.946 483 L CB -0.287 41.930 42.059 0.262 0.000 1.216 483 L HN 0.141 nan 8.230 nan 0.000 0.493 484 Y N 0.856 121.261 120.300 0.175 0.000 2.274 484 Y HA -0.199 4.351 4.550 0.001 0.000 0.290 484 Y C 2.089 177.922 175.900 -0.112 0.000 1.145 484 Y CA 1.053 59.178 58.100 0.042 0.000 1.203 484 Y CB -0.613 37.647 38.460 -0.333 0.000 0.984 484 Y HN 0.183 nan 8.280 nan 0.000 0.533 485 K N -0.783 119.084 120.400 -0.890 0.000 2.410 485 K HA 0.166 4.487 4.320 0.001 0.000 0.200 485 K C -1.187 174.851 176.600 -0.937 0.000 1.023 485 K CA -0.234 55.525 56.287 -0.880 0.000 1.149 485 K CB -0.346 31.531 32.500 -1.038 0.000 0.859 485 K HN 0.353 nan 8.250 nan 0.000 0.514 486 Y N 1.147 121.235 120.300 -0.353 0.000 2.509 486 Y HA 0.447 4.997 4.550 0.001 0.000 0.341 486 Y C -0.376 175.487 175.900 -0.062 0.000 1.038 486 Y CA -1.057 56.927 58.100 -0.193 0.000 1.089 486 Y CB 2.187 40.578 38.460 -0.115 0.000 1.241 486 Y HN -0.119 nan 8.280 nan 0.000 0.468 487 K N 1.242 121.816 120.400 0.290 0.000 2.557 487 K HA 0.524 4.844 4.320 0.001 0.000 0.257 487 K C -2.307 174.449 176.600 0.261 0.000 0.933 487 K CA -0.705 55.772 56.287 0.318 0.000 0.820 487 K CB 2.415 35.248 32.500 0.555 0.000 1.330 487 K HN 0.549 nan 8.250 nan 0.000 0.432 488 V N 5.410 125.435 119.914 0.185 0.000 2.439 488 V HA 0.680 4.801 4.120 0.001 0.000 0.282 488 V C -0.660 175.574 176.094 0.234 0.000 1.039 488 V CA -0.084 62.332 62.300 0.194 0.000 0.913 488 V CB 1.191 33.097 31.823 0.139 0.000 0.983 488 V HN 0.553 nan 8.190 nan 0.000 0.460 489 V N 3.604 123.681 119.914 0.272 0.000 3.160 489 V HA 0.661 4.782 4.120 0.001 0.000 0.310 489 V C -0.553 175.680 176.094 0.231 0.000 1.181 489 V CA -1.387 61.055 62.300 0.237 0.000 1.047 489 V CB 1.934 33.837 31.823 0.133 0.000 1.068 489 V HN 0.804 nan 8.190 nan 0.000 0.441 490 K N 2.039 122.455 120.400 0.026 0.000 2.276 490 K HA 0.448 4.769 4.320 0.001 0.000 0.283 490 K C -0.369 176.136 176.600 -0.158 0.000 1.044 490 K CA -0.526 55.579 56.287 -0.304 0.000 0.944 490 K CB 1.559 33.824 32.500 -0.392 0.000 1.012 490 K HN 0.745 nan 8.250 nan 0.000 0.472 491 I N 5.090 125.557 120.570 -0.173 0.000 2.329 491 I HA 0.012 4.183 4.170 0.001 0.000 0.295 491 I C 0.022 176.084 176.117 -0.092 0.000 1.109 491 I CA 0.211 61.461 61.300 -0.083 0.000 1.297 491 I CB -0.081 37.892 38.000 -0.044 0.000 1.433 491 I HN 0.637 nan 8.210 nan 0.000 0.509 492 E N 0.000 120.160 120.200 -0.066 0.000 2.725 492 E HA 0.000 4.351 4.350 0.001 0.000 0.291 492 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 492 E CB 0.000 29.672 29.700 -0.047 0.000 0.812 492 E HN 0.000 nan 8.360 nan 0.000 0.440