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 2ny4_1_A DATA FIRST_RESID 83 DATA SEQUENCE EVVLVNVTEN FNMWKNDMVE QMHEDIISLW DQSLKPcVKL TPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNNCT DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSSQLLLN GSLAECEVVI RSVNFTDNAK DATA SEQUENCE TIIVQLNTSV EINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE IARAKWNNTL KQIASKLREQ FGNNKTIIFK QSSGGDPEIV THWFNcGGEF DATA SEQUENCE FYcNSTQLFN STWFNSTXXX XXXXXXXGSD TITLPcRIKQ IINMWQKVGK DATA SEQUENCE AMYAPPISGQ IRcSSNITGL LLTRDGGNSN NESEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKI 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 0.000 176.615 176.600 0.026 0.000 1.382 83 E CA 0.000 56.421 56.400 0.035 0.000 0.976 83 E CB 0.000 29.723 29.700 0.039 0.000 0.812 84 V N 1.022 120.952 119.914 0.027 0.000 2.483 84 V HA 0.752 4.872 4.120 0.000 0.000 0.297 84 V C -0.117 175.988 176.094 0.019 0.000 1.027 84 V CA -0.882 61.430 62.300 0.019 0.000 0.855 84 V CB 1.429 33.263 31.823 0.018 0.000 0.995 84 V HN 0.205 nan 8.190 nan 0.000 0.424 85 V N 6.716 126.637 119.914 0.011 0.000 2.555 85 V HA 0.406 4.526 4.120 0.000 0.000 0.286 85 V C -0.119 175.980 176.094 0.009 0.000 1.044 85 V CA -0.038 62.267 62.300 0.007 0.000 1.026 85 V CB 1.081 32.904 31.823 -0.000 0.000 0.981 85 V HN 0.784 nan 8.190 nan 0.000 0.480 86 L N 7.974 129.204 121.223 0.011 0.000 2.283 86 L HA 0.354 4.694 4.340 0.000 0.000 0.287 86 L C 0.144 177.019 176.870 0.009 0.000 1.073 86 L CA 0.260 55.108 54.840 0.013 0.000 0.822 86 L CB 1.185 43.255 42.059 0.019 0.000 1.186 86 L HN 0.667 nan 8.230 nan 0.000 0.436 87 V N 1.581 121.499 119.914 0.007 0.000 2.572 87 V HA 0.325 4.445 4.120 0.000 0.000 0.291 87 V C 0.740 176.837 176.094 0.007 0.000 1.039 87 V CA -0.703 61.600 62.300 0.005 0.000 1.055 87 V CB 0.399 32.224 31.823 0.004 0.000 0.969 87 V HN 0.882 nan 8.190 nan 0.000 0.482 88 N N 1.241 119.945 118.700 0.006 0.000 2.708 88 N HA -0.143 4.597 4.740 0.000 0.000 0.249 88 N C -0.426 175.091 175.510 0.012 0.000 1.097 88 N CA 1.164 54.219 53.050 0.008 0.000 0.710 88 N CB -1.342 37.150 38.487 0.007 0.000 1.032 88 N HN 0.780 nan 8.380 nan 0.000 0.551 89 V N -0.201 119.722 119.914 0.014 0.000 2.435 89 V HA 0.576 4.696 4.120 0.000 0.000 0.290 89 V C 0.672 176.783 176.094 0.028 0.000 1.030 89 V CA -0.516 61.796 62.300 0.019 0.000 0.881 89 V CB 2.074 33.909 31.823 0.020 0.000 0.983 89 V HN 0.214 nan 8.190 nan 0.000 0.445 90 T N 4.344 118.917 114.554 0.033 0.000 2.792 90 T HA 0.507 4.857 4.350 0.000 0.000 0.280 90 T C -0.801 173.932 174.700 0.056 0.000 0.990 90 T CA -0.467 61.662 62.100 0.049 0.000 0.960 90 T CB 0.812 69.708 68.868 0.047 0.000 0.939 90 T HN 0.702 nan 8.240 nan 0.000 0.439 91 E N 3.693 123.949 120.200 0.094 0.000 2.266 91 E HA 0.366 4.716 4.350 0.000 0.000 0.268 91 E C -0.758 175.920 176.600 0.130 0.000 0.879 91 E CA -0.883 55.555 56.400 0.063 0.000 0.762 91 E CB 1.662 31.367 29.700 0.010 0.000 1.199 91 E HN 0.610 nan 8.360 nan 0.000 0.422 92 N N 1.878 120.601 118.700 0.038 0.000 2.458 92 N HA 0.293 5.033 4.740 0.000 0.000 0.270 92 N C -0.821 174.700 175.510 0.019 0.000 1.102 92 N CA 0.148 53.269 53.050 0.117 0.000 0.967 92 N CB 0.292 38.827 38.487 0.080 0.000 1.078 92 N HN 0.213 nan 8.380 nan 0.000 0.471 93 F N 0.791 120.838 119.950 0.161 0.000 2.538 93 F HA 0.404 4.932 4.527 0.000 0.000 0.325 93 F C 0.638 176.593 175.800 0.260 0.000 1.066 93 F CA -0.910 57.209 58.000 0.199 0.000 0.946 93 F CB 1.421 40.547 39.000 0.209 0.000 1.199 93 F HN 0.266 nan 8.300 nan 0.000 0.473 94 N N 2.807 121.712 118.700 0.342 0.000 2.621 94 N HA 0.151 4.891 4.740 0.000 0.000 0.271 94 N C 0.200 175.795 175.510 0.141 0.000 1.181 94 N CA -0.350 52.850 53.050 0.250 0.000 0.805 94 N CB 0.960 39.568 38.487 0.202 0.000 1.351 94 N HN 0.736 nan 8.380 nan 0.000 0.539 95 M N -0.028 119.563 119.600 -0.014 0.000 2.446 95 M HA 0.127 4.607 4.480 0.000 0.000 0.263 95 M C 0.244 176.318 176.300 -0.377 0.000 1.066 95 M CA 1.103 56.259 55.300 -0.239 0.000 1.087 95 M CB -0.165 32.170 32.600 -0.442 0.000 1.406 95 M HN 0.329 nan 8.290 nan 0.000 0.459 96 W N 1.800 123.151 121.300 0.086 0.000 2.863 96 W HA 0.223 4.883 4.660 0.000 0.000 0.258 96 W C 0.366 176.910 176.519 0.041 0.000 1.298 96 W CA -0.205 57.165 57.345 0.042 0.000 1.451 96 W CB 0.358 29.822 29.460 0.007 0.000 1.107 96 W HN 0.025 nan 8.180 nan 0.000 0.641 97 K N 1.571 122.093 120.400 0.203 0.000 2.679 97 K HA 0.140 4.460 4.320 0.000 0.000 0.188 97 K C -0.914 175.737 176.600 0.085 0.000 1.055 97 K CA -0.309 56.058 56.287 0.133 0.000 1.006 97 K CB 0.342 32.918 32.500 0.126 0.000 1.317 97 K HN -0.253 nan 8.250 nan 0.000 0.584 98 N N 1.766 120.504 118.700 0.064 0.000 2.504 98 N HA 0.116 4.856 4.740 0.000 0.000 0.280 98 N C -0.053 175.464 175.510 0.011 0.000 1.052 98 N CA -0.364 52.709 53.050 0.037 0.000 0.887 98 N CB 1.384 39.898 38.487 0.046 0.000 1.323 98 N HN 0.183 nan 8.380 nan 0.000 0.509 99 D N 3.019 123.408 120.400 -0.019 0.000 2.263 99 D HA -0.092 4.548 4.640 0.000 0.000 0.208 99 D C 1.595 177.840 176.300 -0.093 0.000 0.971 99 D CA 1.042 55.012 54.000 -0.050 0.000 0.867 99 D CB 0.249 40.998 40.800 -0.085 0.000 0.929 99 D HN 0.656 nan 8.370 nan 0.000 0.492 100 M N -0.077 119.454 119.600 -0.114 0.000 2.159 100 M HA -0.128 4.352 4.480 0.000 0.000 0.263 100 M C 2.255 178.444 176.300 -0.185 0.000 1.063 100 M CA 0.809 55.983 55.300 -0.209 0.000 1.110 100 M CB -0.113 32.377 32.600 -0.184 0.000 1.374 100 M HN -0.099 nan 8.290 nan 0.000 0.411 101 V N 0.221 120.113 119.914 -0.037 0.000 2.261 101 V HA -0.232 3.889 4.120 0.000 0.000 0.246 101 V C 2.147 178.319 176.094 0.130 0.000 1.047 101 V CA 1.928 64.279 62.300 0.084 0.000 1.015 101 V CB -0.611 31.283 31.823 0.117 0.000 0.642 101 V HN 0.365 nan 8.190 nan 0.000 0.446 102 E N -0.144 120.104 120.200 0.079 0.000 2.085 102 E HA -0.266 4.084 4.350 0.000 0.000 0.194 102 E C 2.148 178.803 176.600 0.092 0.000 0.994 102 E CA 1.594 58.059 56.400 0.109 0.000 0.801 102 E CB -0.373 29.362 29.700 0.059 0.000 0.743 102 E HN 0.607 nan 8.360 nan 0.000 0.453 103 Q N -0.025 119.758 119.800 -0.028 0.000 2.050 103 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 103 Q C 2.142 178.095 176.000 -0.078 0.000 0.980 103 Q CA 1.874 57.632 55.803 -0.074 0.000 0.840 103 Q CB -0.286 28.341 28.738 -0.185 0.000 0.898 103 Q HN 0.400 nan 8.270 nan 0.000 0.424 104 M N -1.076 118.397 119.600 -0.211 0.000 2.117 104 M HA -0.226 4.254 4.480 0.000 0.000 0.262 104 M C 1.848 178.032 176.300 -0.193 0.000 1.065 104 M CA 2.089 57.240 55.300 -0.248 0.000 1.114 104 M CB -0.252 32.092 32.600 -0.426 0.000 1.361 104 M HN 0.442 nan 8.290 nan 0.000 0.408 105 H N 0.496 119.536 119.070 -0.050 0.000 2.319 105 H HA -0.149 4.408 4.556 0.000 0.000 0.299 105 H C 1.857 177.315 175.328 0.217 0.000 1.092 105 H CA 2.261 58.477 56.048 0.281 0.000 1.302 105 H CB 0.023 30.053 29.762 0.448 0.000 1.373 105 H HN 0.378 nan 8.280 nan 0.000 0.497 106 E N 0.252 120.547 120.200 0.158 0.000 2.150 106 E HA -0.126 4.224 4.350 0.000 0.000 0.193 106 E C 1.844 178.479 176.600 0.058 0.000 0.985 106 E CA 1.003 57.449 56.400 0.077 0.000 0.814 106 E CB -0.185 29.566 29.700 0.084 0.000 0.752 106 E HN 0.612 nan 8.360 nan 0.000 0.466 107 D N 0.431 120.866 120.400 0.059 0.000 2.117 107 D HA -0.122 4.518 4.640 0.000 0.000 0.197 107 D C 1.887 178.241 176.300 0.088 0.000 0.987 107 D CA 0.630 54.672 54.000 0.069 0.000 0.829 107 D CB -0.065 40.794 40.800 0.099 0.000 0.961 107 D HN 0.148 nan 8.370 nan 0.000 0.460 108 I N 0.787 121.396 120.570 0.064 0.000 2.353 108 I HA -0.120 4.050 4.170 0.000 0.000 0.248 108 I C 2.496 178.846 176.117 0.388 0.000 1.119 108 I CA 0.500 61.928 61.300 0.213 0.000 1.417 108 I CB -0.991 37.055 38.000 0.077 0.000 1.078 108 I HN 0.039 nan 8.210 nan 0.000 0.421 109 I N 0.586 121.279 120.570 0.204 0.000 2.226 109 I HA -0.285 3.885 4.170 0.000 0.000 0.245 109 I C 2.551 178.743 176.117 0.125 0.000 1.100 109 I CA 1.223 62.533 61.300 0.017 0.000 1.374 109 I CB -0.279 37.615 38.000 -0.176 0.000 1.057 109 I HN 0.134 nan 8.210 nan 0.000 0.413 110 S N 0.815 116.591 115.700 0.126 0.000 2.368 110 S HA -0.167 4.303 4.470 0.000 0.000 0.224 110 S C 1.917 176.630 174.600 0.189 0.000 1.029 110 S CA 1.175 59.450 58.200 0.125 0.000 0.988 110 S CB -0.434 62.819 63.200 0.088 0.000 0.838 110 S HN 0.321 nan 8.310 nan 0.000 0.462 111 L N 0.550 121.924 121.223 0.252 0.000 2.012 111 L HA -0.063 4.278 4.340 0.000 0.000 0.210 111 L C 1.855 178.955 176.870 0.383 0.000 1.073 111 L CA 1.730 56.744 54.840 0.291 0.000 0.748 111 L CB -0.757 41.495 42.059 0.322 0.000 0.891 111 L HN 0.345 nan 8.230 nan 0.000 0.431 112 W N 0.365 121.813 121.300 0.248 0.000 2.374 112 W HA -0.137 4.523 4.660 0.000 0.000 0.288 112 W C 2.355 178.959 176.519 0.142 0.000 1.218 112 W CA 1.345 58.837 57.345 0.247 0.000 1.245 112 W CB -0.636 29.022 29.460 0.329 0.000 1.126 112 W HN 0.244 nan 8.180 nan 0.000 0.545 113 D N -0.566 120.011 120.400 0.296 0.000 2.117 113 D HA -0.204 4.436 4.640 0.000 0.000 0.197 113 D C 2.081 178.457 176.300 0.126 0.000 0.987 113 D CA 1.821 55.920 54.000 0.167 0.000 0.829 113 D CB -0.754 40.110 40.800 0.107 0.000 0.961 113 D HN 0.435 nan 8.370 nan 0.000 0.460 114 Q N -0.645 119.230 119.800 0.126 0.000 2.425 114 Q HA 0.179 4.519 4.340 0.000 0.000 0.204 114 Q C 1.578 177.631 176.000 0.087 0.000 0.933 114 Q CA 0.548 56.405 55.803 0.090 0.000 0.939 114 Q CB 0.619 29.404 28.738 0.079 0.000 1.044 114 Q HN -0.043 nan 8.270 nan 0.000 0.513 115 S N 0.370 116.132 115.700 0.102 0.000 2.860 115 S HA 0.300 4.770 4.470 0.000 0.000 0.181 115 S C 0.543 175.145 174.600 0.003 0.000 0.763 115 S CA -0.498 57.751 58.200 0.083 0.000 0.829 115 S CB 0.128 63.437 63.200 0.182 0.000 0.793 115 S HN 0.305 nan 8.310 nan 0.000 0.614 116 L N 3.200 124.329 121.223 -0.157 0.000 2.384 116 L HA 0.243 4.583 4.340 0.000 0.000 0.258 116 L C -0.613 176.370 176.870 0.188 0.000 1.266 116 L CA -0.008 54.732 54.840 -0.167 0.000 1.162 116 L CB -0.091 41.551 42.059 -0.696 0.000 1.375 116 L HN 0.197 nan 8.230 nan 0.000 0.420 117 K N 3.647 124.140 120.400 0.155 0.000 2.339 117 K HA 0.280 4.600 4.320 0.000 0.000 0.286 117 K C -2.241 174.376 176.600 0.027 0.000 1.050 117 K CA -1.630 54.722 56.287 0.108 0.000 0.956 117 K CB 0.657 33.188 32.500 0.051 0.000 0.990 117 K HN 0.143 nan 8.250 nan 0.000 0.475 118 P HA 0.128 nan 4.420 nan 0.000 0.279 118 P C 0.190 177.300 177.300 -0.316 0.000 1.252 118 P CA -0.586 62.079 63.100 -0.723 0.000 0.811 118 P CB 0.838 32.019 31.700 -0.866 0.000 1.035 119 c N 0.243 118.677 118.600 -0.277 0.000 2.450 119 c HA 0.086 4.656 4.570 0.000 0.000 0.279 119 c C 1.124 175.144 174.090 -0.116 0.000 1.335 119 c CA 0.261 56.512 56.329 -0.130 0.000 1.749 119 c CB -0.623 41.840 42.510 -0.079 0.000 1.963 119 c HN 0.315 nan 8.230 nan 0.000 0.501 120 V N 1.197 121.020 119.914 -0.151 0.000 2.808 120 V HA 0.378 4.498 4.120 0.000 0.000 0.308 120 V C -1.017 175.000 176.094 -0.128 0.000 1.099 120 V CA -0.686 61.549 62.300 -0.109 0.000 0.920 120 V CB 2.001 33.778 31.823 -0.077 0.000 1.014 120 V HN 0.413 nan 8.190 nan 0.000 0.425 121 K N 5.059 125.403 120.400 -0.093 0.000 2.378 121 K HA 0.871 5.191 4.320 0.000 0.000 0.252 121 K C -1.609 174.958 176.600 -0.055 0.000 0.931 121 K CA -0.787 55.453 56.287 -0.079 0.000 0.794 121 K CB 2.624 35.082 32.500 -0.071 0.000 1.181 121 K HN 0.471 nan 8.250 nan 0.000 0.425 122 L N 2.322 123.515 121.223 -0.049 0.000 2.362 122 L HA 0.531 4.871 4.340 0.000 0.000 0.275 122 L C -0.555 176.293 176.870 -0.037 0.000 0.998 122 L CA -0.770 54.047 54.840 -0.039 0.000 0.820 122 L CB 2.114 44.151 42.059 -0.037 0.000 1.270 122 L HN 0.914 nan 8.230 nan 0.000 0.415 123 T N 0.053 114.588 114.554 -0.033 0.000 2.916 123 T HA 0.591 4.942 4.350 0.000 0.000 0.298 123 T C -2.849 171.837 174.700 -0.025 0.000 1.031 123 T CA -2.021 60.060 62.100 -0.031 0.000 0.993 123 T CB 2.220 71.068 68.868 -0.033 0.000 1.045 123 T HN 0.243 nan 8.240 nan 0.000 0.454 124 P HA 0.479 nan 4.420 nan 0.000 0.277 124 P C -1.116 176.175 177.300 -0.015 0.000 1.240 124 P CA -0.703 62.386 63.100 -0.019 0.000 0.798 124 P CB 0.974 32.663 31.700 -0.018 0.000 0.979 125 L N 3.447 124.662 121.223 -0.013 0.000 2.529 125 L HA 0.325 4.665 4.340 0.000 0.000 0.260 125 L C -0.729 176.136 176.870 -0.009 0.000 0.997 125 L CA -0.148 54.686 54.840 -0.010 0.000 0.885 125 L CB 0.423 42.476 42.059 -0.010 0.000 1.185 125 L HN 0.345 nan 8.230 nan 0.000 0.442 126 c N 3.169 121.764 118.600 -0.008 0.000 2.660 126 c HA 0.212 4.782 4.570 0.000 0.000 0.265 126 c C 1.788 175.874 174.090 -0.005 0.000 1.573 126 c CA -0.104 56.221 56.329 -0.007 0.000 1.751 126 c CB -0.223 42.283 42.510 -0.008 0.000 3.033 126 c HN 0.697 nan 8.230 nan 0.000 0.511 127 V N 1.738 121.650 119.914 -0.005 0.000 2.667 127 V HA 0.123 4.243 4.120 0.000 0.000 0.252 127 V C 1.637 177.730 176.094 -0.003 0.000 1.065 127 V CA 2.120 64.418 62.300 -0.003 0.000 1.083 127 V CB -0.568 31.254 31.823 -0.002 0.000 0.692 127 V HN 0.636 nan 8.190 nan 0.000 0.468 128 G N -0.683 108.115 108.800 -0.003 0.000 2.683 128 G HA2 0.471 4.431 3.960 0.000 0.000 0.260 128 G HA3 0.471 4.431 3.960 0.000 0.000 0.260 128 G C 0.133 175.031 174.900 -0.003 0.000 1.238 128 G CA 0.090 45.188 45.100 -0.003 0.000 0.934 128 G HN 0.819 nan 8.290 nan 0.000 0.534 195 S N -0.149 115.548 115.700 -0.005 0.000 2.579 195 S HA 0.440 4.910 4.470 0.000 0.000 0.275 195 S C 0.483 175.079 174.600 -0.006 0.000 1.345 195 S CA -0.290 57.907 58.200 -0.006 0.000 1.031 195 S CB 0.885 64.082 63.200 -0.006 0.000 0.892 195 S HN 0.679 nan 8.310 nan 0.000 0.529 196 c N 2.238 120.834 118.600 -0.007 0.000 2.470 196 c HA 0.455 5.025 4.570 0.000 0.000 0.350 196 c C 0.992 175.077 174.090 -0.009 0.000 1.341 196 c CA -0.556 55.768 56.329 -0.008 0.000 2.440 196 c CB -0.108 42.397 42.510 -0.010 0.000 2.295 196 c HN 0.867 nan 8.230 nan 0.000 0.645 197 N N 0.211 118.905 118.700 -0.010 0.000 2.722 197 N HA 0.160 4.900 4.740 0.000 0.000 0.242 197 N C -1.070 174.433 175.510 -0.012 0.000 1.398 197 N CA 0.016 53.060 53.050 -0.010 0.000 0.755 197 N CB 0.805 39.287 38.487 -0.009 0.000 1.268 197 N HN 0.682 nan 8.380 nan 0.000 0.522 198 T N 0.807 115.353 114.554 -0.014 0.000 2.871 198 T HA -0.001 4.349 4.350 0.000 0.000 0.296 198 T C 0.637 175.327 174.700 -0.017 0.000 0.998 198 T CA 0.591 62.681 62.100 -0.016 0.000 1.162 198 T CB 0.304 69.161 68.868 -0.018 0.000 0.947 198 T HN 0.298 nan 8.240 nan 0.000 0.536 199 S N 3.510 119.199 115.700 -0.018 0.000 2.448 199 S HA 0.368 4.838 4.470 0.000 0.000 0.279 199 S C -0.258 174.328 174.600 -0.023 0.000 1.195 199 S CA -0.835 57.354 58.200 -0.019 0.000 1.051 199 S CB -0.001 63.188 63.200 -0.018 0.000 0.948 199 S HN 0.464 nan 8.310 nan 0.000 0.493 200 V N 7.478 127.379 119.914 -0.022 0.000 2.384 200 V HA 0.517 4.637 4.120 0.000 0.000 0.287 200 V C -0.158 175.920 176.094 -0.026 0.000 1.020 200 V CA -0.635 61.649 62.300 -0.026 0.000 0.850 200 V CB 1.240 33.049 31.823 -0.024 0.000 0.987 200 V HN 0.826 nan 8.190 nan 0.000 0.436 201 I N 3.686 124.237 120.570 -0.032 0.000 2.406 201 I HA 0.485 4.655 4.170 0.000 0.000 0.290 201 I C -0.041 176.053 176.117 -0.039 0.000 0.999 201 I CA -0.123 61.158 61.300 -0.031 0.000 1.124 201 I CB 2.218 40.200 38.000 -0.030 0.000 1.289 201 I HN 0.523 nan 8.210 nan 0.000 0.441 202 T N 6.295 120.830 114.554 -0.032 0.000 2.807 202 T HA 0.535 4.885 4.350 0.000 0.000 0.279 202 T C -0.708 173.975 174.700 -0.029 0.000 0.993 202 T CA -0.723 61.355 62.100 -0.035 0.000 0.970 202 T CB 1.378 70.229 68.868 -0.028 0.000 0.950 202 T HN 0.672 nan 8.240 nan 0.000 0.441 203 Q N 1.219 120.999 119.800 -0.034 0.000 2.534 203 Q HA 0.763 5.103 4.340 0.000 0.000 0.290 203 Q C -1.184 174.803 176.000 -0.021 0.000 0.991 203 Q CA -1.445 54.344 55.803 -0.023 0.000 0.783 203 Q CB 1.636 30.361 28.738 -0.022 0.000 1.470 203 Q HN 0.646 nan 8.270 nan 0.000 0.406 204 A N 0.600 123.415 122.820 -0.009 0.000 2.531 204 A HA 0.371 4.691 4.320 0.000 0.000 0.236 204 A C 0.371 177.955 177.584 0.001 0.000 1.062 204 A CA 0.160 52.196 52.037 -0.002 0.000 0.760 204 A CB -0.484 18.519 19.000 0.005 0.000 0.995 204 A HN 0.974 nan 8.150 nan 0.000 0.501 205 c N 1.635 120.241 118.600 0.010 0.000 3.328 205 c HA 0.593 5.164 4.570 0.000 0.000 0.230 205 c C -2.569 171.552 174.090 0.052 0.000 1.232 205 c CA -2.143 54.202 56.329 0.026 0.000 1.431 205 c CB -0.768 41.746 42.510 0.006 0.000 1.818 205 c HN 0.683 nan 8.230 nan 0.000 0.484 206 P HA 0.214 nan 4.420 nan 0.000 0.271 206 P C -0.282 177.051 177.300 0.055 0.000 1.218 206 P CA 0.464 63.590 63.100 0.043 0.000 0.780 206 P CB 0.731 32.451 31.700 0.034 0.000 0.901 207 K N 1.777 122.205 120.400 0.046 0.000 2.349 207 K HA 0.323 4.644 4.320 0.000 0.000 0.289 207 K C -0.327 176.290 176.600 0.028 0.000 1.064 207 K CA -0.242 56.070 56.287 0.041 0.000 0.947 207 K CB 0.521 33.041 32.500 0.034 0.000 1.007 207 K HN 0.244 nan 8.250 nan 0.000 0.478 208 V N 2.008 121.935 119.914 0.022 0.000 2.789 208 V HA 0.312 4.432 4.120 0.000 0.000 0.311 208 V C -0.294 175.811 176.094 0.019 0.000 1.073 208 V CA -0.720 61.594 62.300 0.023 0.000 0.921 208 V CB 2.189 34.033 31.823 0.035 0.000 1.009 208 V HN 0.903 nan 8.190 nan 0.000 0.426 209 S N 5.476 121.190 115.700 0.022 0.000 2.576 209 S HA 0.506 4.976 4.470 0.000 0.000 0.276 209 S C -0.776 173.869 174.600 0.074 0.000 1.339 209 S CA -0.135 58.079 58.200 0.023 0.000 1.039 209 S CB 0.737 63.936 63.200 -0.002 0.000 0.902 209 S HN 0.844 nan 8.310 nan 0.000 0.516 210 F N 1.607 121.468 119.950 -0.148 0.000 2.577 210 F HA 0.508 5.036 4.527 0.000 0.000 0.344 210 F C -0.542 175.167 175.800 -0.152 0.000 1.145 210 F CA -0.797 57.090 58.000 -0.189 0.000 0.996 210 F CB 1.657 40.474 39.000 -0.306 0.000 1.248 210 F HN 0.818 nan 8.300 nan 0.000 0.447 211 E N 7.473 127.391 120.200 -0.471 0.000 2.267 211 E HA 0.484 4.834 4.350 0.000 0.000 0.248 211 E C -2.754 173.594 176.600 -0.420 0.000 0.899 211 E CA -2.231 53.964 56.400 -0.341 0.000 0.764 211 E CB 1.010 30.598 29.700 -0.187 0.000 1.227 211 E HN 0.239 nan 8.360 nan 0.000 0.421 212 P HA 0.043 nan 4.420 nan 0.000 0.262 212 P C -0.933 176.253 177.300 -0.191 0.000 1.182 212 P CA 0.057 62.978 63.100 -0.298 0.000 0.761 212 P CB 0.345 31.962 31.700 -0.140 0.000 0.795 213 I N 5.804 126.270 120.570 -0.173 0.000 2.530 213 I HA 0.362 4.532 4.170 0.000 0.000 0.297 213 I C -2.235 173.811 176.117 -0.118 0.000 1.011 213 I CA -2.923 58.301 61.300 -0.126 0.000 1.107 213 I CB 1.524 39.453 38.000 -0.119 0.000 1.285 213 I HN 0.245 nan 8.210 nan 0.000 0.436 214 P HA 0.182 nan 4.420 nan 0.000 0.264 214 P C -0.906 176.257 177.300 -0.229 0.000 1.183 214 P CA 0.350 63.345 63.100 -0.175 0.000 0.763 214 P CB 0.187 31.788 31.700 -0.164 0.000 0.807 215 I N 3.689 124.070 120.570 -0.316 0.000 2.377 215 I HA 0.269 4.439 4.170 0.000 0.000 0.293 215 I C 0.573 176.375 176.117 -0.525 0.000 0.987 215 I CA -0.664 60.416 61.300 -0.367 0.000 1.185 215 I CB 1.068 38.832 38.000 -0.394 0.000 1.341 215 I HN 0.309 nan 8.210 nan 0.000 0.455 216 H N 6.131 124.998 119.070 -0.338 0.000 2.504 216 H HA 0.283 4.839 4.556 0.000 0.000 0.322 216 H C -1.289 173.800 175.328 -0.398 0.000 1.055 216 H CA -0.511 55.362 56.048 -0.292 0.000 1.231 216 H CB 1.101 30.754 29.762 -0.182 0.000 1.417 216 H HN 0.439 nan 8.280 nan 0.000 0.472 217 Y N 1.955 122.176 120.300 -0.132 0.000 2.383 217 Y HA 0.117 4.667 4.550 0.000 0.000 0.344 217 Y C 0.665 176.496 175.900 -0.115 0.000 0.986 217 Y CA -0.205 57.814 58.100 -0.136 0.000 1.175 217 Y CB 0.667 39.011 38.460 -0.193 0.000 1.152 217 Y HN 0.549 nan 8.280 nan 0.000 0.511 218 c N 1.670 120.299 118.600 0.048 0.000 2.380 218 c HA 0.793 5.363 4.570 0.000 0.000 0.393 218 c C 0.595 174.716 174.090 0.052 0.000 1.284 218 c CA -1.240 55.107 56.329 0.030 0.000 2.033 218 c CB 0.722 43.236 42.510 0.005 0.000 2.165 218 c HN 0.888 nan 8.230 nan 0.000 0.540 219 A N 2.540 125.391 122.820 0.051 0.000 2.492 219 A HA 0.494 4.814 4.320 0.000 0.000 0.254 219 A C -1.836 175.797 177.584 0.082 0.000 1.091 219 A CA -0.366 51.715 52.037 0.074 0.000 0.768 219 A CB -0.655 18.401 19.000 0.094 0.000 1.028 219 A HN 0.771 nan 8.150 nan 0.000 0.498 220 P HA 0.368 nan 4.420 nan 0.000 0.274 220 P C -0.064 177.353 177.300 0.195 0.000 1.231 220 P CA -0.211 62.941 63.100 0.086 0.000 0.790 220 P CB 0.759 32.447 31.700 -0.019 0.000 0.951 221 A N 1.398 124.313 122.820 0.159 0.000 2.573 221 A HA 0.345 4.666 4.320 0.000 0.000 0.250 221 A C 1.479 179.206 177.584 0.238 0.000 1.049 221 A CA 0.924 53.054 52.037 0.154 0.000 0.767 221 A CB -1.636 17.424 19.000 0.101 0.000 0.965 221 A HN 1.002 nan 8.150 nan 0.000 0.514 222 G N 0.898 109.765 108.800 0.112 0.000 2.175 222 G HA2 -0.198 3.763 3.960 0.000 0.000 0.244 222 G HA3 -0.198 3.763 3.960 0.000 0.000 0.244 222 G C -0.083 174.631 174.900 -0.310 0.000 0.982 222 G CA 0.382 45.431 45.100 -0.085 0.000 0.641 222 G HN 0.829 nan 8.290 nan 0.000 0.527 223 F N 0.393 120.345 119.950 0.003 0.000 2.631 223 F HA 0.868 5.395 4.527 0.000 0.000 0.328 223 F C 0.411 176.213 175.800 0.004 0.000 1.067 223 F CA -0.411 57.590 58.000 0.001 0.000 0.969 223 F CB 2.040 41.041 39.000 0.001 0.000 1.332 223 F HN 0.398 nan 8.300 nan 0.000 0.490 224 A N 0.883 123.832 122.820 0.215 0.000 2.454 224 A HA 0.838 5.158 4.320 0.000 0.000 0.302 224 A C -1.323 176.337 177.584 0.126 0.000 1.079 224 A CA -0.650 51.463 52.037 0.127 0.000 0.731 224 A CB 1.108 20.152 19.000 0.073 0.000 1.299 224 A HN 0.638 nan 8.150 nan 0.000 0.413 225 I N 1.849 122.482 120.570 0.105 0.000 2.321 225 I HA 0.291 4.461 4.170 0.000 0.000 0.291 225 I C -0.974 175.230 176.117 0.146 0.000 0.998 225 I CA -0.549 60.824 61.300 0.120 0.000 1.227 225 I CB 1.175 39.238 38.000 0.106 0.000 1.368 225 I HN 0.374 nan 8.210 nan 0.000 0.466 226 L N 7.190 128.507 121.223 0.156 0.000 2.334 226 L HA 0.488 4.829 4.340 0.000 0.000 0.275 226 L C -0.081 176.971 176.870 0.303 0.000 1.036 226 L CA -0.360 54.587 54.840 0.178 0.000 0.807 226 L CB 1.305 43.415 42.059 0.086 0.000 1.231 226 L HN 0.478 nan 8.230 nan 0.000 0.438 227 K N 2.026 122.556 120.400 0.216 0.000 2.463 227 K HA 0.350 4.670 4.320 0.000 0.000 0.255 227 K C -1.292 175.196 176.600 -0.187 0.000 0.942 227 K CA -0.508 55.781 56.287 0.002 0.000 0.814 227 K CB 1.562 34.042 32.500 -0.034 0.000 1.122 227 K HN 0.699 nan 8.250 nan 0.000 0.425 228 c N 4.345 122.567 118.600 -0.631 0.000 2.499 228 c HA 0.278 4.848 4.570 0.000 0.000 0.386 228 c C 0.727 174.493 174.090 -0.541 0.000 1.293 228 c CA -0.214 55.588 56.329 -0.878 0.000 1.884 228 c CB -1.184 40.252 42.510 -1.790 0.000 2.509 228 c HN 0.993 nan 8.230 nan 0.000 0.566 229 N N 2.891 121.381 118.700 -0.350 0.000 2.236 229 N HA 0.051 4.791 4.740 0.000 0.000 0.196 229 N C -0.002 175.418 175.510 -0.151 0.000 1.114 229 N CA -0.124 52.797 53.050 -0.214 0.000 0.859 229 N CB 0.019 38.424 38.487 -0.136 0.000 0.982 229 N HN 0.673 nan 8.380 nan 0.000 0.493 230 N N 1.609 120.209 118.700 -0.166 0.000 2.442 230 N HA -0.008 4.733 4.740 0.000 0.000 0.265 230 N C 1.078 176.602 175.510 0.023 0.000 1.138 230 N CA -0.105 52.913 53.050 -0.053 0.000 0.956 230 N CB 0.816 39.291 38.487 -0.021 0.000 1.067 230 N HN 0.300 nan 8.380 nan 0.000 0.474 231 C N 1.382 120.695 119.300 0.022 0.000 2.472 231 C HA 0.049 4.510 4.460 0.000 0.000 0.278 231 C C 1.840 176.864 174.990 0.056 0.000 1.447 231 C CA 0.619 59.660 59.018 0.039 0.000 1.773 231 C CB -1.741 26.004 27.740 0.009 0.000 1.793 231 C HN 0.775 nan 8.230 nan 0.000 0.544 232 T N -3.865 110.729 114.554 0.067 0.000 3.134 232 T HA 0.242 4.592 4.350 0.000 0.000 0.260 232 T C 0.053 174.811 174.700 0.098 0.000 1.027 232 T CA -0.439 61.693 62.100 0.053 0.000 0.913 232 T CB -0.703 68.179 68.868 0.024 0.000 1.046 232 T HN 0.510 nan 8.240 nan 0.000 0.553 233 F N 4.563 124.508 119.950 -0.008 0.000 2.612 233 F HA 0.121 4.648 4.527 0.000 0.000 0.389 233 F C 1.194 177.006 175.800 0.021 0.000 1.055 233 F CA -0.377 57.623 58.000 -0.000 0.000 1.232 233 F CB 0.632 39.614 39.000 -0.029 0.000 1.044 233 F HN 0.219 nan 8.300 nan 0.000 0.560 234 N N 3.560 121.908 118.700 -0.586 0.000 2.398 234 N HA 0.187 4.927 4.740 0.000 0.000 0.188 234 N C 1.093 176.296 175.510 -0.512 0.000 1.122 234 N CA 0.596 53.408 53.050 -0.397 0.000 0.866 234 N CB 0.739 39.125 38.487 -0.168 0.000 0.970 234 N HN 0.894 nan 8.380 nan 0.000 0.462 235 G N -0.772 107.326 108.800 -1.169 0.000 2.313 235 G HA2 -0.231 3.729 3.960 0.000 0.000 0.215 235 G HA3 -0.231 3.729 3.960 0.000 0.000 0.215 235 G C 0.052 174.761 174.900 -0.319 0.000 1.023 235 G CA 0.258 45.000 45.100 -0.596 0.000 0.626 235 G HN 0.938 nan 8.290 nan 0.000 0.503 236 T N -1.715 112.682 114.554 -0.262 0.000 2.906 236 T HA 0.838 5.188 4.350 0.000 0.000 0.302 236 T C 0.221 174.999 174.700 0.129 0.000 1.002 236 T CA 0.643 62.805 62.100 0.104 0.000 0.988 236 T CB 1.779 70.767 68.868 0.200 0.000 0.972 236 T HN 2.325 nan 8.240 nan 0.000 0.447 237 G N 3.183 112.186 108.800 0.337 0.000 2.357 237 G HA2 0.336 4.296 3.960 0.000 0.000 0.289 237 G HA3 0.336 4.296 3.960 0.000 0.000 0.289 237 G C -3.342 171.823 174.900 0.440 0.000 1.302 237 G CA -0.899 44.389 45.100 0.313 0.000 0.936 237 G HN 0.677 nan 8.290 nan 0.000 0.513 238 P HA 0.406 nan 4.420 nan 0.000 0.271 238 P C -0.280 177.161 177.300 0.234 0.000 1.220 238 P CA 0.031 63.276 63.100 0.242 0.000 0.768 238 P CB 1.274 33.065 31.700 0.152 0.000 0.848 239 c N 4.052 122.733 118.600 0.135 0.000 2.303 239 c HA 0.397 4.967 4.570 0.000 0.000 0.326 239 c C 1.796 175.885 174.090 -0.002 0.000 1.285 239 c CA 0.084 56.364 56.329 -0.081 0.000 1.675 239 c CB -0.056 42.160 42.510 -0.490 0.000 2.289 239 c HN 0.737 nan 8.230 nan 0.000 0.512 240 T N 0.675 115.222 114.554 -0.012 0.000 3.086 240 T HA 0.147 4.497 4.350 0.000 0.000 0.250 240 T C 0.314 175.004 174.700 -0.017 0.000 1.074 240 T CA 0.219 62.322 62.100 0.004 0.000 0.988 240 T CB -0.318 68.560 68.868 0.016 0.000 0.988 240 T HN 0.624 nan 8.240 nan 0.000 0.530 241 N N 1.468 120.134 118.700 -0.056 0.000 2.776 241 N HA 0.379 5.119 4.740 0.000 0.000 0.245 241 N C -1.562 173.894 175.510 -0.089 0.000 1.121 241 N CA -0.396 52.617 53.050 -0.062 0.000 0.852 241 N CB 1.479 39.926 38.487 -0.067 0.000 1.142 241 N HN 0.234 nan 8.380 nan 0.000 0.514 242 V N 2.037 121.929 119.914 -0.037 0.000 2.680 242 V HA 0.850 4.970 4.120 0.000 0.000 0.309 242 V C -0.571 175.530 176.094 0.011 0.000 1.052 242 V CA -0.376 61.919 62.300 -0.007 0.000 0.908 242 V CB 1.787 33.665 31.823 0.093 0.000 1.001 242 V HN 0.642 nan 8.190 nan 0.000 0.431 243 S N 3.392 119.104 115.700 0.020 0.000 2.599 243 S HA 0.699 5.169 4.470 0.000 0.000 0.287 243 S C -0.515 174.122 174.600 0.063 0.000 1.105 243 S CA -0.689 57.529 58.200 0.031 0.000 0.899 243 S CB 1.921 65.129 63.200 0.015 0.000 1.100 243 S HN 0.836 nan 8.310 nan 0.000 0.482 244 T N 1.806 116.395 114.554 0.058 0.000 2.882 244 T HA 0.652 5.002 4.350 0.000 0.000 0.287 244 T C 0.076 174.823 174.700 0.079 0.000 0.992 244 T CA -0.541 61.602 62.100 0.073 0.000 1.076 244 T CB 0.952 69.853 68.868 0.054 0.000 0.961 244 T HN 1.153 nan 8.240 nan 0.000 0.490 245 V N 1.348 121.324 119.914 0.104 0.000 2.914 245 V HA 0.489 4.610 4.120 0.000 0.000 0.314 245 V C 0.639 176.781 176.094 0.079 0.000 1.084 245 V CA -0.984 61.378 62.300 0.103 0.000 0.963 245 V CB 2.078 34.000 31.823 0.164 0.000 1.025 245 V HN 0.613 nan 8.190 nan 0.000 0.432 246 Q N 0.787 120.622 119.800 0.057 0.000 2.049 246 Q HA 0.106 4.446 4.340 0.000 0.000 0.198 246 Q C 0.517 176.535 176.000 0.031 0.000 0.971 246 Q CA 1.410 57.235 55.803 0.037 0.000 0.833 246 Q CB -0.140 28.609 28.738 0.019 0.000 0.896 246 Q HN 0.906 nan 8.270 nan 0.000 0.434 247 c N -0.187 118.432 118.600 0.032 0.000 3.171 247 c HA 0.500 5.070 4.570 0.000 0.000 0.308 247 c C 0.532 174.615 174.090 -0.012 0.000 1.334 247 c CA -1.037 55.297 56.329 0.008 0.000 1.473 247 c CB 1.300 43.816 42.510 0.011 0.000 1.866 247 c HN 0.493 nan 8.230 nan 0.000 0.465 248 T N -0.601 113.850 114.554 -0.171 0.000 2.766 248 T HA 0.271 4.621 4.350 0.000 0.000 0.295 248 T C 0.409 175.090 174.700 -0.031 0.000 1.024 248 T CA 0.052 61.910 62.100 -0.404 0.000 1.018 248 T CB 0.177 68.564 68.868 -0.801 0.000 1.002 248 T HN 0.893 nan 8.240 nan 0.000 0.532 249 H N -0.241 118.881 119.070 0.087 0.000 2.703 249 H HA 0.280 4.836 4.556 0.000 0.000 0.377 249 H C 0.758 176.026 175.328 -0.101 0.000 1.392 249 H CA -0.417 55.694 56.048 0.106 0.000 1.458 249 H CB -0.474 29.370 29.762 0.137 0.000 1.529 249 H HN 0.919 nan 8.280 nan 0.000 0.619 250 G N 0.655 109.318 108.800 -0.228 0.000 2.358 250 G HA2 0.416 4.376 3.960 0.000 0.000 0.273 250 G HA3 0.416 4.376 3.960 0.000 0.000 0.273 250 G C -0.236 174.461 174.900 -0.339 0.000 1.215 250 G CA -0.596 44.107 45.100 -0.661 0.000 0.910 250 G HN 0.584 nan 8.290 nan 0.000 0.467 251 I N 2.630 122.960 120.570 -0.400 0.000 2.362 251 I HA 0.309 4.480 4.170 0.000 0.000 0.289 251 I C 0.384 176.433 176.117 -0.114 0.000 0.994 251 I CA -0.695 60.494 61.300 -0.185 0.000 1.158 251 I CB 1.780 39.676 38.000 -0.173 0.000 1.315 251 I HN 0.315 nan 8.210 nan 0.000 0.451 252 R N 7.318 127.805 120.500 -0.022 0.000 2.234 252 R HA 0.264 4.604 4.340 0.000 0.000 0.324 252 R C -2.132 174.205 176.300 0.062 0.000 1.054 252 R CA -1.504 54.590 56.100 -0.010 0.000 0.912 252 R CB 0.577 30.877 30.300 0.001 0.000 1.030 252 R HN 0.334 nan 8.270 nan 0.000 0.455 253 P HA 0.038 nan 4.420 nan 0.000 0.226 253 P C -0.226 177.265 177.300 0.318 0.000 1.783 253 P CA -0.075 63.065 63.100 0.067 0.000 0.980 253 P CB 0.057 31.689 31.700 -0.113 0.000 1.967 254 V N 2.141 122.252 119.914 0.328 0.000 2.479 254 V HA 0.005 4.125 4.120 0.000 0.000 0.281 254 V C 0.924 177.155 176.094 0.227 0.000 1.031 254 V CA -0.091 62.357 62.300 0.247 0.000 1.038 254 V CB 1.149 33.056 31.823 0.139 0.000 0.981 254 V HN 0.090 nan 8.190 nan 0.000 0.478 255 V N 6.357 126.363 119.914 0.154 0.000 2.368 255 V HA 0.587 4.707 4.120 0.000 0.000 0.266 255 V C 0.313 176.292 176.094 -0.191 0.000 1.045 255 V CA 0.227 62.425 62.300 -0.171 0.000 0.899 255 V CB 0.939 32.465 31.823 -0.495 0.000 1.006 255 V HN 1.110 nan 8.190 nan 0.000 0.470 256 S N 3.272 118.899 115.700 -0.122 0.000 2.615 256 S HA 0.785 5.255 4.470 0.000 0.000 0.269 256 S C -0.548 174.158 174.600 0.176 0.000 1.161 256 S CA -0.418 57.795 58.200 0.021 0.000 0.817 256 S CB 2.119 65.385 63.200 0.110 0.000 1.131 256 S HN 0.898 nan 8.310 nan 0.000 0.467 257 S N -0.011 115.893 115.700 0.339 0.000 2.664 257 S HA 0.685 5.155 4.470 0.000 0.000 0.304 257 S C 0.482 175.278 174.600 0.326 0.000 1.099 257 S CA -0.021 58.358 58.200 0.299 0.000 1.003 257 S CB 1.200 64.592 63.200 0.320 0.000 1.092 257 S HN 1.053 nan 8.310 nan 0.000 0.525 258 Q N -1.016 118.906 119.800 0.204 0.000 2.171 258 Q HA -0.250 4.090 4.340 0.000 0.000 0.177 258 Q C -0.526 175.556 176.000 0.137 0.000 2.915 258 Q CA 1.971 57.873 55.803 0.164 0.000 0.195 258 Q CB -1.517 27.354 28.738 0.220 0.000 0.201 258 Q HN 0.783 nan 8.270 nan 0.000 0.378 259 L N 1.745 123.022 121.223 0.090 0.000 2.317 259 L HA 0.537 4.877 4.340 0.000 0.000 0.281 259 L C -0.209 176.692 176.870 0.051 0.000 1.024 259 L CA -0.603 54.231 54.840 -0.009 0.000 0.810 259 L CB 1.141 42.992 42.059 -0.346 0.000 1.240 259 L HN 0.104 nan 8.230 nan 0.000 0.427 260 L N 4.692 125.944 121.223 0.049 0.000 2.265 260 L HA 0.500 4.840 4.340 0.000 0.000 0.288 260 L C -0.495 176.395 176.870 0.034 0.000 1.058 260 L CA -0.266 54.604 54.840 0.050 0.000 0.809 260 L CB 0.967 43.057 42.059 0.051 0.000 1.179 260 L HN 0.423 nan 8.230 nan 0.000 0.429 261 L N 3.815 125.059 121.223 0.034 0.000 2.342 261 L HA 0.520 4.861 4.340 0.000 0.000 0.271 261 L C 0.252 177.135 176.870 0.022 0.000 1.008 261 L CA -0.869 53.973 54.840 0.003 0.000 0.818 261 L CB 1.423 43.460 42.059 -0.037 0.000 1.296 261 L HN 0.576 nan 8.230 nan 0.000 0.427 262 N N 0.420 119.125 118.700 0.008 0.000 2.741 262 N HA -0.152 4.588 4.740 0.000 0.000 0.250 262 N C 0.073 175.613 175.510 0.049 0.000 1.115 262 N CA 1.059 54.119 53.050 0.016 0.000 0.724 262 N CB -1.160 37.330 38.487 0.004 0.000 1.090 262 N HN 0.997 nan 8.380 nan 0.000 0.558 263 G N -1.330 107.508 108.800 0.063 0.000 2.543 263 G HA2 0.599 4.560 3.960 0.000 0.000 0.267 263 G HA3 0.599 4.560 3.960 0.000 0.000 0.267 263 G C -0.296 174.655 174.900 0.084 0.000 1.406 263 G CA -0.198 44.962 45.100 0.100 0.000 1.048 263 G HN 0.141 nan 8.290 nan 0.000 0.548 264 S N -0.578 115.182 115.700 0.100 0.000 2.508 264 S HA 0.472 4.942 4.470 0.000 0.000 0.284 264 S C 0.005 174.626 174.600 0.035 0.000 1.192 264 S CA -0.398 57.829 58.200 0.044 0.000 1.070 264 S CB 1.172 64.363 63.200 -0.015 0.000 1.004 264 S HN 0.362 nan 8.310 nan 0.000 0.493 265 L N 2.280 123.509 121.223 0.010 0.000 2.418 265 L HA 0.486 4.826 4.340 0.000 0.000 0.265 265 L C 0.804 177.675 176.870 0.002 0.000 1.143 265 L CA -0.800 54.042 54.840 0.003 0.000 0.809 265 L CB 0.476 42.531 42.059 -0.007 0.000 1.124 265 L HN 0.719 nan 8.230 nan 0.000 0.456 266 A N 1.850 124.666 122.820 -0.006 0.000 2.511 266 A HA 0.043 4.363 4.320 0.000 0.000 0.242 266 A C 1.007 178.585 177.584 -0.009 0.000 1.069 266 A CA -0.047 51.987 52.037 -0.005 0.000 0.763 266 A CB 0.076 19.060 19.000 -0.028 0.000 1.001 266 A HN 0.934 nan 8.150 nan 0.000 0.498 267 E N 1.035 121.233 120.200 -0.004 0.000 2.152 267 E HA -0.109 4.241 4.350 0.000 0.000 0.192 267 E C 0.846 177.437 176.600 -0.015 0.000 0.983 267 E CA 1.371 57.764 56.400 -0.012 0.000 0.818 267 E CB -0.048 29.644 29.700 -0.014 0.000 0.758 267 E HN 0.806 nan 8.360 nan 0.000 0.467 268 C N -0.335 118.956 119.300 -0.015 0.000 3.106 268 C HA 0.238 4.698 4.460 0.000 0.000 0.108 268 C C 0.718 175.692 174.990 -0.027 0.000 2.515 268 C CA -0.613 58.394 59.018 -0.019 0.000 1.060 268 C CB -0.244 27.486 27.740 -0.016 0.000 1.835 268 C HN 0.213 nan 8.230 nan 0.000 0.578 269 E N 0.760 120.941 120.200 -0.031 0.000 2.250 269 E HA 0.419 4.769 4.350 0.000 0.000 0.265 269 E C -0.923 175.647 176.600 -0.050 0.000 1.033 269 E CA -0.330 56.045 56.400 -0.042 0.000 0.888 269 E CB 0.947 30.620 29.700 -0.044 0.000 1.151 269 E HN 0.177 nan 8.360 nan 0.000 0.412 270 V N 1.774 121.650 119.914 -0.063 0.000 2.720 270 V HA -0.027 4.093 4.120 0.000 0.000 0.307 270 V C -0.001 176.052 176.094 -0.068 0.000 1.071 270 V CA 0.415 62.672 62.300 -0.072 0.000 1.199 270 V CB 0.500 32.267 31.823 -0.093 0.000 0.900 270 V HN 0.314 nan 8.190 nan 0.000 0.494 271 V N 6.043 125.916 119.914 -0.068 0.000 2.604 271 V HA 0.576 4.696 4.120 0.000 0.000 0.305 271 V C -0.230 175.838 176.094 -0.042 0.000 1.043 271 V CA -0.599 61.662 62.300 -0.066 0.000 0.888 271 V CB 1.805 33.572 31.823 -0.093 0.000 0.995 271 V HN 0.779 nan 8.190 nan 0.000 0.429 272 I N 1.834 122.410 120.570 0.011 0.000 2.530 272 I HA 0.822 4.992 4.170 0.000 0.000 0.297 272 I C -0.496 175.774 176.117 0.255 0.000 1.011 272 I CA -0.761 60.613 61.300 0.123 0.000 1.107 272 I CB 1.977 40.075 38.000 0.163 0.000 1.285 272 I HN 0.506 nan 8.210 nan 0.000 0.436 273 R N 3.360 123.994 120.500 0.223 0.000 2.673 273 R HA 0.722 5.062 4.340 0.000 0.000 0.281 273 R C -1.213 175.090 176.300 0.006 0.000 0.991 273 R CA -0.854 55.343 56.100 0.162 0.000 0.896 273 R CB 2.331 32.680 30.300 0.082 0.000 1.201 273 R HN 0.830 nan 8.270 nan 0.000 0.457 274 S N 0.559 116.021 115.700 -0.397 0.000 2.550 274 S HA 0.144 4.614 4.470 0.000 0.000 0.270 274 S C 0.143 174.185 174.600 -0.930 0.000 1.145 274 S CA -0.678 57.046 58.200 -0.794 0.000 0.852 274 S CB 2.181 64.569 63.200 -1.353 0.000 1.119 274 S HN 0.380 nan 8.310 nan 0.000 0.465 275 V N 2.580 121.533 119.914 -1.602 0.000 2.759 275 V HA 0.211 4.331 4.120 0.000 0.000 0.256 275 V C 0.254 175.964 176.094 -0.639 0.000 1.080 275 V CA 2.033 63.478 62.300 -1.424 0.000 1.101 275 V CB -0.619 30.335 31.823 -1.449 0.000 0.698 275 V HN 0.797 nan 8.190 nan 0.000 0.477 276 N N -1.377 116.989 118.700 -0.556 0.000 2.875 276 N HA 0.152 4.892 4.740 0.000 0.000 0.253 276 N C -0.162 175.234 175.510 -0.189 0.000 1.296 276 N CA -0.448 52.434 53.050 -0.280 0.000 0.816 276 N CB 0.073 38.442 38.487 -0.196 0.000 1.504 276 N HN 0.086 nan 8.380 nan 0.000 0.582 277 F N 0.752 120.666 119.950 -0.060 0.000 2.216 277 F HA -0.128 4.400 4.527 0.000 0.000 0.300 277 F C 2.165 178.072 175.800 0.179 0.000 1.085 277 F CA 1.391 59.419 58.000 0.046 0.000 1.326 277 F CB 0.217 39.133 39.000 -0.140 0.000 1.027 277 F HN 0.383 nan 8.300 nan 0.000 0.497 278 T N -1.749 112.958 114.554 0.255 0.000 2.962 278 T HA -0.167 4.183 4.350 0.000 0.000 0.270 278 T C 0.625 175.392 174.700 0.113 0.000 1.088 278 T CA 0.809 63.025 62.100 0.194 0.000 1.127 278 T CB -0.316 68.613 68.868 0.102 0.000 0.883 278 T HN 0.010 nan 8.240 nan 0.000 0.493 279 D N 2.260 122.695 120.400 0.057 0.000 2.365 279 D HA 0.073 4.714 4.640 0.000 0.000 0.237 279 D C 0.989 177.288 176.300 -0.003 0.000 1.190 279 D CA -0.474 53.525 54.000 -0.002 0.000 0.867 279 D CB 0.437 41.204 40.800 -0.055 0.000 1.050 279 D HN 0.139 nan 8.370 nan 0.000 0.491 280 N N 3.479 122.169 118.700 -0.016 0.000 2.443 280 N HA -0.166 4.574 4.740 0.000 0.000 0.184 280 N C 1.181 176.662 175.510 -0.049 0.000 1.037 280 N CA 0.962 53.985 53.050 -0.044 0.000 0.896 280 N CB -0.323 38.113 38.487 -0.084 0.000 0.959 280 N HN 0.282 nan 8.380 nan 0.000 0.442 281 A N -0.333 122.457 122.820 -0.050 0.000 2.218 281 A HA 0.073 4.393 4.320 0.000 0.000 0.209 281 A C 0.592 178.137 177.584 -0.066 0.000 1.168 281 A CA 0.129 52.134 52.037 -0.052 0.000 0.804 281 A CB -0.015 18.955 19.000 -0.049 0.000 0.834 281 A HN 0.015 nan 8.150 nan 0.000 0.482 282 K N 1.342 121.689 120.400 -0.088 0.000 2.172 282 K HA 0.327 4.647 4.320 0.000 0.000 0.276 282 K C -0.416 176.114 176.600 -0.116 0.000 1.013 282 K CA -0.095 56.103 56.287 -0.147 0.000 0.913 282 K CB 0.829 33.177 32.500 -0.253 0.000 1.055 282 K HN 0.106 nan 8.250 nan 0.000 0.461 283 T N 3.162 117.654 114.554 -0.105 0.000 2.916 283 T HA 0.192 4.542 4.350 0.000 0.000 0.303 283 T C 0.795 175.483 174.700 -0.021 0.000 1.025 283 T CA -0.037 62.048 62.100 -0.024 0.000 1.142 283 T CB 0.191 69.072 68.868 0.020 0.000 0.947 283 T HN 0.289 nan 8.240 nan 0.000 0.544 284 I N 4.011 124.627 120.570 0.077 0.000 2.304 284 I HA 0.330 4.500 4.170 0.000 0.000 0.291 284 I C 0.128 176.333 176.117 0.146 0.000 1.018 284 I CA -0.448 60.930 61.300 0.129 0.000 1.260 284 I CB 0.827 39.001 38.000 0.289 0.000 1.390 284 I HN 0.454 nan 8.210 nan 0.000 0.475 285 I N 7.269 127.933 120.570 0.157 0.000 2.304 285 I HA 0.231 4.401 4.170 0.000 0.000 0.291 285 I C -0.258 175.902 176.117 0.072 0.000 1.018 285 I CA -0.612 60.756 61.300 0.113 0.000 1.260 285 I CB 1.165 39.226 38.000 0.102 0.000 1.390 285 I HN 0.214 nan 8.210 nan 0.000 0.475 286 V N 6.612 126.560 119.914 0.057 0.000 2.439 286 V HA 0.252 4.372 4.120 0.000 0.000 0.282 286 V C 0.041 176.127 176.094 -0.013 0.000 1.039 286 V CA -0.556 61.758 62.300 0.023 0.000 0.913 286 V CB 1.405 33.245 31.823 0.028 0.000 0.983 286 V HN 0.716 nan 8.190 nan 0.000 0.460 287 Q N 4.494 124.264 119.800 -0.049 0.000 2.394 287 Q HA 0.522 4.862 4.340 0.000 0.000 0.259 287 Q C -1.019 174.949 176.000 -0.054 0.000 1.021 287 Q CA -0.550 55.217 55.803 -0.060 0.000 0.805 287 Q CB 1.259 29.927 28.738 -0.116 0.000 1.226 287 Q HN 0.719 nan 8.270 nan 0.000 0.476 288 L N 2.849 124.046 121.223 -0.042 0.000 2.464 288 L HA 0.150 4.490 4.340 0.000 0.000 0.264 288 L C 1.314 178.158 176.870 -0.043 0.000 1.199 288 L CA -0.334 54.473 54.840 -0.055 0.000 0.818 288 L CB 0.284 42.313 42.059 -0.050 0.000 1.102 288 L HN 0.747 nan 8.230 nan 0.000 0.473 289 N N -1.261 117.409 118.700 -0.050 0.000 2.205 289 N HA 0.029 4.769 4.740 0.000 0.000 0.201 289 N C -0.305 175.185 175.510 -0.033 0.000 1.128 289 N CA -0.155 52.873 53.050 -0.038 0.000 0.867 289 N CB 0.741 39.204 38.487 -0.040 0.000 0.996 289 N HN 0.523 nan 8.380 nan 0.000 0.503 290 T N 0.526 115.057 114.554 -0.038 0.000 3.011 290 T HA 0.338 4.688 4.350 0.000 0.000 0.303 290 T C -0.668 174.020 174.700 -0.022 0.000 0.997 290 T CA -0.736 61.346 62.100 -0.030 0.000 1.007 290 T CB 1.702 70.547 68.868 -0.038 0.000 1.017 290 T HN 0.268 nan 8.240 nan 0.000 0.443 291 S N 1.947 117.642 115.700 -0.008 0.000 2.592 291 S HA 0.681 5.151 4.470 0.000 0.000 0.271 291 S C -0.074 174.536 174.600 0.017 0.000 1.326 291 S CA -0.663 57.540 58.200 0.004 0.000 1.024 291 S CB 0.795 63.996 63.200 0.002 0.000 0.921 291 S HN 0.485 nan 8.310 nan 0.000 0.527 292 V N 2.136 122.075 119.914 0.041 0.000 2.487 292 V HA 0.356 4.476 4.120 0.000 0.000 0.298 292 V C -0.020 176.083 176.094 0.016 0.000 1.028 292 V CA -0.796 61.542 62.300 0.062 0.000 0.860 292 V CB 1.346 33.279 31.823 0.183 0.000 0.991 292 V HN 0.976 nan 8.190 nan 0.000 0.427 293 E N 3.711 123.908 120.200 -0.005 0.000 2.384 293 E HA 0.350 4.700 4.350 0.000 0.000 0.266 293 E C -0.535 176.023 176.600 -0.071 0.000 1.012 293 E CA 0.112 56.489 56.400 -0.037 0.000 0.901 293 E CB 1.518 31.201 29.700 -0.029 0.000 0.967 293 E HN 0.581 nan 8.360 nan 0.000 0.435 294 I N 3.301 123.805 120.570 -0.110 0.000 2.439 294 I HA 0.235 4.405 4.170 0.000 0.000 0.285 294 I C -1.403 174.631 176.117 -0.138 0.000 1.021 294 I CA -0.819 60.393 61.300 -0.146 0.000 1.091 294 I CB 0.855 38.724 38.000 -0.219 0.000 1.242 294 I HN 0.397 nan 8.210 nan 0.000 0.439 295 N N 7.068 125.712 118.700 -0.094 0.000 2.424 295 N HA 0.440 5.180 4.740 0.000 0.000 0.271 295 N C -1.340 174.124 175.510 -0.076 0.000 0.985 295 N CA -0.291 52.710 53.050 -0.081 0.000 0.921 295 N CB 1.708 40.171 38.487 -0.040 0.000 1.149 295 N HN 0.464 nan 8.380 nan 0.000 0.492 296 c N 0.366 118.898 118.600 -0.113 0.000 2.493 296 c HA 0.758 5.328 4.570 0.000 0.000 0.326 296 c C 0.725 174.763 174.090 -0.086 0.000 1.200 296 c CA -0.640 55.633 56.329 -0.094 0.000 1.739 296 c CB 1.758 44.189 42.510 -0.132 0.000 2.300 296 c HN 0.678 nan 8.230 nan 0.000 0.500 297 T N -0.289 114.241 114.554 -0.041 0.000 2.900 297 T HA 0.535 4.886 4.350 0.000 0.000 0.295 297 T C 1.017 175.868 174.700 0.251 0.000 1.044 297 T CA 0.329 62.439 62.100 0.018 0.000 0.995 297 T CB 1.415 70.187 68.868 -0.160 0.000 1.072 297 T HN 0.907 nan 8.240 nan 0.000 0.473 298 G N 1.895 110.855 108.800 0.266 0.000 2.586 298 G HA2 0.327 4.288 3.960 0.000 0.000 0.215 298 G HA3 0.327 4.288 3.960 0.000 0.000 0.215 298 G C 0.790 175.707 174.900 0.029 0.000 1.128 298 G CA 0.554 45.740 45.100 0.143 0.000 0.774 298 G HN 1.049 nan 8.290 nan 0.000 0.543 330 H N -2.195 116.985 119.070 0.183 0.000 3.042 330 H HA 0.651 5.208 4.556 0.000 0.000 0.346 330 H C -1.658 173.779 175.328 0.181 0.000 1.294 330 H CA -0.785 55.362 56.048 0.165 0.000 1.141 330 H CB 1.313 31.136 29.762 0.101 0.000 1.872 330 H HN 0.056 nan 8.280 nan 0.000 0.541 331 c N 1.772 120.525 118.600 0.255 0.000 2.507 331 c HA 0.473 5.043 4.570 0.000 0.000 0.319 331 c C -0.263 173.912 174.090 0.141 0.000 1.208 331 c CA -0.627 55.787 56.329 0.143 0.000 1.619 331 c CB 0.979 43.562 42.510 0.122 0.000 2.230 331 c HN 0.675 nan 8.230 nan 0.000 0.492 332 N N 1.882 120.631 118.700 0.083 0.000 2.362 332 N HA 0.738 5.478 4.740 0.000 0.000 0.298 332 N C -1.109 174.378 175.510 -0.038 0.000 1.048 332 N CA -0.267 52.811 53.050 0.046 0.000 0.858 332 N CB 1.298 39.832 38.487 0.078 0.000 1.218 332 N HN 0.558 nan 8.380 nan 0.000 0.488 333 I N 0.658 121.186 120.570 -0.070 0.000 2.619 333 I HA 0.390 4.560 4.170 0.000 0.000 0.292 333 I C -0.105 175.985 176.117 -0.045 0.000 1.100 333 I CA -1.246 59.992 61.300 -0.104 0.000 1.043 333 I CB 2.051 39.896 38.000 -0.259 0.000 1.239 333 I HN 0.412 nan 8.210 nan 0.000 0.420 334 A N 5.639 128.457 122.820 -0.004 0.000 2.491 334 A HA 0.183 4.504 4.320 0.000 0.000 0.261 334 A C 1.372 178.995 177.584 0.065 0.000 1.101 334 A CA 0.018 52.070 52.037 0.026 0.000 0.772 334 A CB 0.114 19.133 19.000 0.031 0.000 1.043 334 A HN 0.960 nan 8.150 nan 0.000 0.501 335 R N 2.621 123.156 120.500 0.058 0.000 2.081 335 R HA -0.146 4.195 4.340 0.000 0.000 0.235 335 R C 2.071 178.442 176.300 0.118 0.000 1.131 335 R CA 1.697 57.853 56.100 0.094 0.000 0.960 335 R CB -0.226 30.110 30.300 0.060 0.000 0.856 335 R HN 0.819 nan 8.270 nan 0.000 0.436 336 A N 1.271 124.137 122.820 0.077 0.000 1.902 336 A HA -0.174 4.146 4.320 0.000 0.000 0.217 336 A C 1.973 179.595 177.584 0.064 0.000 1.181 336 A CA 1.585 53.660 52.037 0.064 0.000 0.623 336 A CB -0.311 18.713 19.000 0.040 0.000 0.818 336 A HN 0.335 nan 8.150 nan 0.000 0.443 337 K N -1.482 118.962 120.400 0.072 0.000 2.057 337 K HA -0.164 4.156 4.320 0.000 0.000 0.207 337 K C 2.014 178.667 176.600 0.089 0.000 1.049 337 K CA 1.376 57.702 56.287 0.064 0.000 0.931 337 K CB -0.271 32.271 32.500 0.071 0.000 0.714 337 K HN 0.789 nan 8.250 nan 0.000 0.440 338 W N 2.257 123.514 121.300 -0.072 0.000 2.381 338 W HA -0.207 4.453 4.660 0.000 0.000 0.301 338 W C 1.683 178.146 176.519 -0.093 0.000 1.205 338 W CA 1.156 58.434 57.345 -0.112 0.000 1.285 338 W CB -0.188 29.193 29.460 -0.131 0.000 1.133 338 W HN 0.155 nan 8.180 nan 0.000 0.521 339 N N 0.960 119.689 118.700 0.047 0.000 2.036 339 N HA -0.281 4.459 4.740 0.000 0.000 0.195 339 N C 1.585 177.040 175.510 -0.092 0.000 1.037 339 N CA 2.092 55.184 53.050 0.070 0.000 0.855 339 N CB -1.264 37.317 38.487 0.158 0.000 1.033 339 N HN 0.236 nan 8.380 nan 0.000 0.423 340 N N -0.905 117.738 118.700 -0.095 0.000 2.149 340 N HA -0.127 4.613 4.740 0.000 0.000 0.188 340 N C 1.058 176.387 175.510 -0.301 0.000 1.019 340 N CA 1.597 54.559 53.050 -0.148 0.000 0.857 340 N CB -0.041 38.397 38.487 -0.081 0.000 0.997 340 N HN 0.255 nan 8.380 nan 0.000 0.426 341 T N 1.798 116.114 114.554 -0.396 0.000 2.708 341 T HA -0.070 4.281 4.350 0.000 0.000 0.266 341 T C 2.028 176.290 174.700 -0.730 0.000 1.037 341 T CA 0.859 62.632 62.100 -0.544 0.000 1.146 341 T CB -0.208 68.244 68.868 -0.694 0.000 0.865 341 T HN 0.191 nan 8.240 nan 0.000 0.435 342 L N 0.878 121.514 121.223 -0.979 0.000 2.083 342 L HA -0.117 4.223 4.340 0.000 0.000 0.209 342 L C 2.716 178.884 176.870 -1.170 0.000 1.083 342 L CA 1.391 55.565 54.840 -1.111 0.000 0.752 342 L CB -0.547 40.889 42.059 -1.038 0.000 0.899 342 L HN 0.246 nan 8.230 nan 0.000 0.433 343 K N 0.333 119.989 120.400 -1.240 0.000 2.026 343 K HA -0.236 4.084 4.320 0.000 0.000 0.208 343 K C 2.097 178.459 176.600 -0.395 0.000 1.048 343 K CA 1.625 57.309 56.287 -1.006 0.000 0.929 343 K CB -0.045 32.132 32.500 -0.538 0.000 0.713 343 K HN 0.372 nan 8.250 nan 0.000 0.439 344 Q N 0.308 119.907 119.800 -0.334 0.000 2.124 344 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 344 Q C 2.204 178.093 176.000 -0.185 0.000 0.977 344 Q CA 1.637 57.321 55.803 -0.199 0.000 0.850 344 Q CB -0.077 28.547 28.738 -0.191 0.000 0.901 344 Q HN 0.406 nan 8.270 nan 0.000 0.429 345 I N 0.408 120.822 120.570 -0.259 0.000 2.202 345 I HA -0.239 3.931 4.170 0.000 0.000 0.242 345 I C 2.421 178.483 176.117 -0.092 0.000 1.091 345 I CA 0.882 62.077 61.300 -0.176 0.000 1.368 345 I CB -0.409 37.464 38.000 -0.211 0.000 1.058 345 I HN 0.146 nan 8.210 nan 0.000 0.410 346 A N 0.339 123.127 122.820 -0.053 0.000 1.933 346 A HA -0.196 4.124 4.320 0.000 0.000 0.218 346 A C 2.487 180.115 177.584 0.074 0.000 1.175 346 A CA 2.175 54.258 52.037 0.076 0.000 0.628 346 A CB -0.740 18.364 19.000 0.173 0.000 0.814 346 A HN 0.398 nan 8.150 nan 0.000 0.444 347 S N 0.002 115.745 115.700 0.071 0.000 2.370 347 S HA -0.157 4.313 4.470 0.000 0.000 0.226 347 S C 2.007 176.508 174.600 -0.165 0.000 1.033 347 S CA 1.509 59.631 58.200 -0.130 0.000 1.011 347 S CB -0.194 62.986 63.200 -0.033 0.000 0.852 347 S HN 0.495 nan 8.310 nan 0.000 0.457 348 K N 1.236 121.560 120.400 -0.127 0.000 2.097 348 K HA 0.125 4.445 4.320 0.000 0.000 0.205 348 K C 2.041 178.540 176.600 -0.169 0.000 1.050 348 K CA 0.705 56.906 56.287 -0.143 0.000 0.938 348 K CB -0.705 31.723 32.500 -0.119 0.000 0.718 348 K HN 0.370 nan 8.250 nan 0.000 0.442 349 L N 0.494 121.630 121.223 -0.146 0.000 2.083 349 L HA -0.148 4.192 4.340 0.000 0.000 0.209 349 L C 2.607 179.482 176.870 0.008 0.000 1.083 349 L CA 1.173 55.957 54.840 -0.094 0.000 0.752 349 L CB -0.317 41.559 42.059 -0.306 0.000 0.899 349 L HN 0.147 nan 8.230 nan 0.000 0.433 350 R N -0.164 120.289 120.500 -0.079 0.000 2.075 350 R HA -0.180 4.160 4.340 0.000 0.000 0.232 350 R C 2.171 178.390 176.300 -0.135 0.000 1.126 350 R CA 1.208 57.251 56.100 -0.094 0.000 0.963 350 R CB -0.296 29.847 30.300 -0.262 0.000 0.858 350 R HN 0.395 nan 8.270 nan 0.000 0.435 351 E N 0.543 120.631 120.200 -0.186 0.000 2.171 351 E HA -0.287 4.063 4.350 0.000 0.000 0.197 351 E C 1.929 178.372 176.600 -0.261 0.000 0.997 351 E CA 1.499 57.779 56.400 -0.199 0.000 0.810 351 E CB 0.191 29.775 29.700 -0.193 0.000 0.738 351 E HN 0.131 nan 8.360 nan 0.000 0.467 352 Q N -0.880 118.697 119.800 -0.371 0.000 2.259 352 Q HA -0.002 4.338 4.340 0.000 0.000 0.201 352 Q C 1.164 176.747 176.000 -0.694 0.000 0.938 352 Q CA 1.282 56.672 55.803 -0.688 0.000 0.872 352 Q CB -0.003 28.025 28.738 -1.183 0.000 0.971 352 Q HN 0.279 nan 8.270 nan 0.000 0.494 353 F N -0.948 118.912 119.950 -0.150 0.000 2.720 353 F HA 0.530 5.057 4.527 0.000 0.000 0.301 353 F C 0.573 176.341 175.800 -0.053 0.000 1.103 353 F CA 0.399 58.360 58.000 -0.065 0.000 1.291 353 F CB 1.603 40.620 39.000 0.029 0.000 1.086 353 F HN 0.095 nan 8.300 nan 0.000 0.592 354 G N 0.556 109.389 108.800 0.054 0.000 2.542 354 G HA2 -0.125 3.835 3.960 0.000 0.000 0.391 354 G HA3 -0.125 3.835 3.960 0.000 0.000 0.391 354 G C -0.505 174.382 174.900 -0.023 0.000 1.551 354 G CA -0.904 44.203 45.100 0.011 0.000 0.946 354 G HN 0.143 nan 8.290 nan 0.000 0.662 355 N N 0.238 118.903 118.700 -0.060 0.000 2.512 355 N HA -0.064 4.677 4.740 0.000 0.000 0.183 355 N C 1.579 177.050 175.510 -0.065 0.000 1.073 355 N CA 0.773 53.765 53.050 -0.097 0.000 0.911 355 N CB 0.101 38.529 38.487 -0.099 0.000 0.964 355 N HN 0.389 nan 8.380 nan 0.000 0.447 356 N N 0.226 118.912 118.700 -0.023 0.000 2.280 356 N HA 0.064 4.804 4.740 0.000 0.000 0.192 356 N C -0.581 174.945 175.510 0.026 0.000 1.109 356 N CA 0.375 53.427 53.050 0.003 0.000 0.855 356 N CB 0.478 38.968 38.487 0.006 0.000 0.974 356 N HN 0.135 nan 8.380 nan 0.000 0.482 357 K N 0.557 120.975 120.400 0.031 0.000 2.205 357 K HA 0.265 4.585 4.320 0.000 0.000 0.279 357 K C -0.232 176.429 176.600 0.102 0.000 1.027 357 K CA -0.180 56.143 56.287 0.060 0.000 0.932 357 K CB 0.969 33.512 32.500 0.073 0.000 1.032 357 K HN -0.059 nan 8.250 nan 0.000 0.466 358 T N 3.562 118.182 114.554 0.110 0.000 2.851 358 T HA 0.191 4.541 4.350 0.000 0.000 0.298 358 T C 0.253 175.052 174.700 0.165 0.000 0.977 358 T CA -0.282 61.913 62.100 0.159 0.000 1.126 358 T CB 0.326 69.257 68.868 0.105 0.000 0.916 358 T HN 0.235 nan 8.240 nan 0.000 0.529 359 I N 4.561 125.280 120.570 0.248 0.000 2.330 359 I HA 0.420 4.590 4.170 0.000 0.000 0.289 359 I C 0.033 176.208 176.117 0.097 0.000 1.001 359 I CA -0.669 60.734 61.300 0.172 0.000 1.193 359 I CB 0.895 38.995 38.000 0.166 0.000 1.345 359 I HN 0.567 nan 8.210 nan 0.000 0.461 360 I N 6.347 126.911 120.570 -0.010 0.000 2.433 360 I HA 0.387 4.557 4.170 0.000 0.000 0.292 360 I C -0.787 175.285 176.117 -0.074 0.000 1.001 360 I CA -0.561 60.752 61.300 0.021 0.000 1.119 360 I CB 1.639 39.669 38.000 0.050 0.000 1.289 360 I HN 0.234 nan 8.210 nan 0.000 0.438 361 F N 5.247 125.424 119.950 0.377 0.000 2.420 361 F HA 0.557 5.084 4.527 0.000 0.000 0.342 361 F C 0.316 176.311 175.800 0.324 0.000 1.113 361 F CA -0.539 57.702 58.000 0.402 0.000 1.059 361 F CB 1.315 40.625 39.000 0.516 0.000 1.128 361 F HN 0.257 nan 8.300 nan 0.000 0.475 362 K N 1.639 122.297 120.400 0.429 0.000 2.444 362 K HA 0.341 4.661 4.320 0.000 0.000 0.252 362 K C -0.865 175.901 176.600 0.277 0.000 0.993 362 K CA -1.256 55.208 56.287 0.295 0.000 0.847 362 K CB 2.386 34.983 32.500 0.162 0.000 1.340 362 K HN 0.693 nan 8.250 nan 0.000 0.446 363 Q N 0.292 120.228 119.800 0.228 0.000 2.492 363 Q HA 0.121 4.461 4.340 0.000 0.000 0.238 363 Q C -0.069 175.988 176.000 0.095 0.000 1.045 363 Q CA -0.311 55.606 55.803 0.190 0.000 0.934 363 Q CB 0.828 29.671 28.738 0.174 0.000 1.276 363 Q HN 0.437 nan 8.270 nan 0.000 0.521 364 S N 0.531 116.269 115.700 0.064 0.000 2.558 364 S HA -0.052 4.418 4.470 0.000 0.000 0.293 364 S C 0.922 175.546 174.600 0.040 0.000 1.292 364 S CA 0.100 58.319 58.200 0.032 0.000 1.063 364 S CB 0.266 63.491 63.200 0.041 0.000 0.831 364 S HN 0.722 nan 8.310 nan 0.000 0.499 365 S N 3.624 119.337 115.700 0.021 0.000 2.522 365 S HA 0.434 4.905 4.470 0.000 0.000 0.227 365 S C 1.088 175.698 174.600 0.017 0.000 0.986 365 S CA 0.183 58.393 58.200 0.017 0.000 0.929 365 S CB -0.664 62.537 63.200 0.001 0.000 0.769 365 S HN 1.641 nan 8.310 nan 0.000 0.529 366 G N -1.294 107.518 108.800 0.019 0.000 2.369 366 G HA2 0.527 4.487 3.960 0.000 0.000 0.307 366 G HA3 0.527 4.487 3.960 0.000 0.000 0.307 366 G C -0.212 174.694 174.900 0.010 0.000 1.327 366 G CA -0.342 44.769 45.100 0.017 0.000 0.963 366 G HN 1.553 nan 8.290 nan 0.000 0.590 367 G N -0.835 107.969 108.800 0.006 0.000 2.306 367 G HA2 0.409 4.369 3.960 0.000 0.000 0.262 367 G HA3 0.409 4.369 3.960 0.000 0.000 0.262 367 G C -1.095 173.802 174.900 -0.005 0.000 1.263 367 G CA 0.292 45.390 45.100 -0.003 0.000 1.088 367 G HN 1.171 nan 8.290 nan 0.000 0.489 368 D N 1.538 121.927 120.400 -0.019 0.000 2.382 368 D HA 0.394 5.034 4.640 0.000 0.000 0.240 368 D C -1.124 175.170 176.300 -0.010 0.000 1.146 368 D CA -1.002 52.979 54.000 -0.032 0.000 0.897 368 D CB 1.090 41.849 40.800 -0.068 0.000 1.197 368 D HN 0.032 nan 8.370 nan 0.000 0.432 369 P HA -0.136 nan 4.420 nan 0.000 0.217 369 P C 0.712 178.102 177.300 0.150 0.000 1.148 369 P CA 1.203 64.374 63.100 0.117 0.000 0.828 369 P CB 0.331 32.091 31.700 0.101 0.000 0.783 370 E N -0.962 119.186 120.200 -0.086 0.000 2.338 370 E HA -0.105 4.245 4.350 0.000 0.000 0.197 370 E C 1.599 178.098 176.600 -0.168 0.000 1.007 370 E CA 0.843 56.945 56.400 -0.496 0.000 0.849 370 E CB -0.716 28.303 29.700 -1.135 0.000 0.774 370 E HN 0.450 nan 8.360 nan 0.000 0.506 371 I N -4.673 115.865 120.570 -0.053 0.000 4.187 371 I HA 0.109 4.279 4.170 0.000 0.000 0.326 371 I C 1.457 177.614 176.117 0.067 0.000 1.302 371 I CA 0.096 61.412 61.300 0.027 0.000 1.196 371 I CB 0.313 38.313 38.000 0.001 0.000 1.095 371 I HN -0.184 nan 8.210 nan 0.000 0.411 372 V N 1.301 121.260 119.914 0.075 0.000 2.591 372 V HA -0.007 4.113 4.120 0.000 0.000 0.249 372 V C 1.438 177.623 176.094 0.152 0.000 1.053 372 V CA 1.836 64.194 62.300 0.096 0.000 1.068 372 V CB -0.915 30.959 31.823 0.085 0.000 0.689 372 V HN 0.738 nan 8.190 nan 0.000 0.462 373 T N -2.630 112.043 114.554 0.200 0.000 2.948 373 T HA 0.400 4.750 4.350 0.000 0.000 0.285 373 T C -0.287 174.608 174.700 0.326 0.000 1.019 373 T CA -0.550 61.712 62.100 0.270 0.000 1.013 373 T CB 1.423 70.483 68.868 0.320 0.000 1.117 373 T HN 0.298 nan 8.240 nan 0.000 0.533 374 H N 0.365 119.602 119.070 0.278 0.000 3.015 374 H HA 0.354 4.910 4.556 0.000 0.000 0.268 374 H C -1.304 174.284 175.328 0.434 0.000 1.113 374 H CA -1.192 55.048 56.048 0.319 0.000 1.479 374 H CB -0.249 29.676 29.762 0.272 0.000 1.493 374 H HN 0.680 nan 8.280 nan 0.000 0.486 375 W N 8.691 129.969 121.300 -0.037 0.000 2.529 375 W HA 0.470 5.130 4.660 0.000 0.000 0.321 375 W C -1.909 174.572 176.519 -0.064 0.000 1.047 375 W CA -1.044 56.160 57.345 -0.235 0.000 1.216 375 W CB 0.436 29.711 29.460 -0.310 0.000 1.357 375 W HN 0.519 nan 8.180 nan 0.000 0.489 376 F N 3.289 122.774 119.950 -0.775 0.000 2.779 376 F HA 0.521 5.048 4.527 0.000 0.000 0.316 376 F C -1.186 174.276 175.800 -0.564 0.000 1.164 376 F CA -1.652 55.937 58.000 -0.686 0.000 0.924 376 F CB 0.781 39.495 39.000 -0.478 0.000 1.348 376 F HN 0.436 nan 8.300 nan 0.000 0.467 377 N N 0.605 119.124 118.700 -0.301 0.000 2.314 377 N HA 0.587 5.327 4.740 0.000 0.000 0.304 377 N C -1.907 173.538 175.510 -0.108 0.000 1.073 377 N CA -0.430 52.401 53.050 -0.365 0.000 0.822 377 N CB 2.206 40.333 38.487 -0.600 0.000 1.280 377 N HN 1.014 nan 8.380 nan 0.000 0.489 378 c N 1.129 119.659 118.600 -0.115 0.000 2.608 378 c HA 0.689 5.259 4.570 0.000 0.000 0.325 378 c C 1.209 175.307 174.090 0.014 0.000 1.147 378 c CA 0.725 57.006 56.329 -0.081 0.000 1.359 378 c CB -0.154 42.154 42.510 -0.336 0.000 1.912 378 c HN 1.092 nan 8.230 nan 0.000 0.466 379 G N 3.584 112.380 108.800 -0.006 0.000 2.296 379 G HA2 0.155 4.115 3.960 0.000 0.000 0.282 379 G HA3 0.155 4.115 3.960 0.000 0.000 0.282 379 G C 1.423 176.310 174.900 -0.021 0.000 1.014 379 G CA 1.513 46.618 45.100 0.008 0.000 0.812 379 G HN 2.904 nan 8.290 nan 0.000 0.508 380 G N -1.974 106.778 108.800 -0.080 0.000 2.179 380 G HA2 -0.227 3.734 3.960 0.000 0.000 0.260 380 G HA3 -0.227 3.734 3.960 0.000 0.000 0.260 380 G C 0.095 174.767 174.900 -0.380 0.000 0.977 380 G CA 0.877 45.851 45.100 -0.211 0.000 0.641 380 G HN 0.943 nan 8.290 nan 0.000 0.533 381 E N -0.418 119.630 120.200 -0.254 0.000 2.202 381 E HA 0.612 4.963 4.350 0.000 0.000 0.272 381 E C -0.566 175.855 176.600 -0.299 0.000 0.951 381 E CA -0.826 55.442 56.400 -0.220 0.000 0.813 381 E CB 0.912 30.585 29.700 -0.046 0.000 1.151 381 E HN 0.149 nan 8.360 nan 0.000 0.398 382 F N 1.749 121.659 119.950 -0.066 0.000 2.404 382 F HA 0.280 4.807 4.527 0.000 0.000 0.358 382 F C 0.143 175.929 175.800 -0.023 0.000 1.120 382 F CA -0.457 57.520 58.000 -0.040 0.000 1.144 382 F CB 0.376 39.490 39.000 0.191 0.000 1.133 382 F HN 0.260 nan 8.300 nan 0.000 0.495 383 F N 2.745 122.443 119.950 -0.421 0.000 2.422 383 F HA 0.415 4.943 4.527 0.000 0.000 0.333 383 F C -0.693 174.904 175.800 -0.338 0.000 1.095 383 F CA -1.116 56.598 58.000 -0.476 0.000 1.038 383 F CB 0.978 39.209 39.000 -1.282 0.000 1.156 383 F HN 0.246 nan 8.300 nan 0.000 0.483 384 Y N 1.935 122.281 120.300 0.077 0.000 2.555 384 Y HA 0.393 4.944 4.550 0.000 0.000 0.326 384 Y C -0.511 175.508 175.900 0.197 0.000 0.984 384 Y CA -1.139 57.074 58.100 0.189 0.000 1.298 384 Y CB 1.180 39.736 38.460 0.161 0.000 1.094 384 Y HN 0.427 nan 8.280 nan 0.000 0.500 385 c N 3.235 122.049 118.600 0.358 0.000 2.273 385 c HA 0.277 4.847 4.570 0.000 0.000 0.328 385 c C 0.596 174.879 174.090 0.322 0.000 1.275 385 c CA -1.208 55.341 56.329 0.366 0.000 1.704 385 c CB 0.051 42.840 42.510 0.465 0.000 2.326 385 c HN 0.725 nan 8.230 nan 0.000 0.517 386 N N 1.937 120.788 118.700 0.253 0.000 2.427 386 N HA -0.032 4.708 4.740 0.000 0.000 0.269 386 N C 0.925 176.557 175.510 0.202 0.000 1.235 386 N CA 0.290 53.467 53.050 0.212 0.000 0.934 386 N CB 0.844 39.429 38.487 0.163 0.000 1.121 386 N HN 0.843 nan 8.380 nan 0.000 0.480 387 S N 1.300 117.143 115.700 0.239 0.000 2.572 387 S HA 0.037 4.507 4.470 0.000 0.000 0.228 387 S C 1.380 176.145 174.600 0.275 0.000 0.963 387 S CA -0.318 58.030 58.200 0.247 0.000 0.939 387 S CB -0.004 63.436 63.200 0.400 0.000 0.804 387 S HN 0.467 nan 8.310 nan 0.000 0.480 388 T N 3.229 117.915 114.554 0.219 0.000 2.665 388 T HA -0.206 4.144 4.350 0.000 0.000 0.268 388 T C 1.758 176.558 174.700 0.166 0.000 1.035 388 T CA 1.972 64.199 62.100 0.212 0.000 1.151 388 T CB -0.402 68.558 68.868 0.152 0.000 0.862 388 T HN 0.586 nan 8.240 nan 0.000 0.438 389 Q N 0.137 119.988 119.800 0.084 0.000 2.291 389 Q HA 0.053 4.393 4.340 0.000 0.000 0.206 389 Q C 2.191 178.169 176.000 -0.038 0.000 0.976 389 Q CA 0.814 56.635 55.803 0.030 0.000 0.875 389 Q CB -0.274 28.462 28.738 -0.003 0.000 0.927 389 Q HN 0.505 nan 8.270 nan 0.000 0.450 390 L N -1.136 119.984 121.223 -0.170 0.000 2.341 390 L HA 0.037 4.377 4.340 0.000 0.000 0.214 390 L C 0.204 176.831 176.870 -0.405 0.000 1.115 390 L CA 0.394 54.943 54.840 -0.484 0.000 0.820 390 L CB 0.303 41.730 42.059 -1.054 0.000 0.944 390 L HN 0.116 nan 8.230 nan 0.000 0.452 391 F N -0.090 120.004 119.950 0.241 0.000 2.531 391 F HA 0.310 4.837 4.527 0.000 0.000 0.333 391 F C 0.102 176.074 175.800 0.287 0.000 1.292 391 F CA -0.578 57.604 58.000 0.303 0.000 1.184 391 F CB 0.430 39.601 39.000 0.285 0.000 1.426 391 F HN -0.128 nan 8.300 nan 0.000 0.559 392 N N 1.718 120.647 118.700 0.382 0.000 2.679 392 N HA 0.164 4.904 4.740 0.000 0.000 0.240 392 N C -1.392 174.259 175.510 0.236 0.000 1.537 392 N CA -0.079 53.136 53.050 0.276 0.000 0.793 392 N CB 0.619 39.217 38.487 0.185 0.000 1.391 392 N HN 0.284 nan 8.380 nan 0.000 0.524 393 S N -1.156 114.743 115.700 0.330 0.000 2.570 393 S HA 0.707 5.177 4.470 0.000 0.000 0.270 393 S C -1.000 173.710 174.600 0.183 0.000 1.149 393 S CA -0.625 57.692 58.200 0.195 0.000 0.837 393 S CB 1.852 65.198 63.200 0.244 0.000 1.124 393 S HN -0.008 nan 8.310 nan 0.000 0.465 394 T N 1.852 116.323 114.554 -0.138 0.000 2.812 394 T HA 0.584 4.934 4.350 0.000 0.000 0.282 394 T C -1.591 172.906 174.700 -0.338 0.000 0.990 394 T CA -0.210 61.837 62.100 -0.089 0.000 0.960 394 T CB 0.402 69.230 68.868 -0.065 0.000 0.948 394 T HN 0.621 nan 8.240 nan 0.000 0.438 395 W N 1.756 123.066 121.300 0.017 0.000 2.736 395 W HA 0.604 5.264 4.660 0.000 0.000 0.335 395 W C -0.433 176.087 176.519 0.001 0.000 1.059 395 W CA -1.294 55.980 57.345 -0.119 0.000 1.226 395 W CB 0.540 29.940 29.460 -0.101 0.000 1.416 395 W HN 0.746 nan 8.180 nan 0.000 0.505 396 F N 1.456 121.554 119.950 0.246 0.000 3.039 396 F HA -0.380 4.147 4.527 0.000 0.000 0.287 396 F C 1.058 176.905 175.800 0.079 0.000 0.956 396 F CA 0.829 58.915 58.000 0.144 0.000 0.971 396 F CB -1.428 37.656 39.000 0.140 0.000 0.943 396 F HN 0.620 nan 8.300 nan 0.000 0.766 397 N N -0.804 117.967 118.700 0.118 0.000 2.518 397 N HA -0.008 4.733 4.740 0.000 0.000 0.230 397 N C 1.781 177.318 175.510 0.045 0.000 1.022 397 N CA 0.798 53.890 53.050 0.070 0.000 1.172 397 N CB 0.311 38.806 38.487 0.014 0.000 1.498 397 N HN 0.288 nan 8.380 nan 0.000 0.602 398 S N -0.592 115.111 115.700 0.005 0.000 2.288 398 S HA 0.150 4.620 4.470 0.000 0.000 0.198 398 S C 0.659 175.264 174.600 0.009 0.000 1.021 398 S CA 0.789 58.990 58.200 0.002 0.000 0.973 398 S CB -0.414 62.774 63.200 -0.019 0.000 0.946 398 S HN 0.476 nan 8.310 nan 0.000 0.470 411 S N 1.161 116.864 115.700 0.005 0.000 2.558 411 S HA 0.215 4.685 4.470 0.000 0.000 0.288 411 S C 1.165 175.770 174.600 0.009 0.000 1.318 411 S CA 0.437 58.640 58.200 0.004 0.000 1.056 411 S CB 0.628 63.827 63.200 -0.001 0.000 0.853 411 S HN 0.240 nan 8.310 nan 0.000 0.505 412 D N 2.457 122.862 120.400 0.008 0.000 2.263 412 D HA 0.016 4.656 4.640 0.000 0.000 0.208 412 D C 0.381 176.688 176.300 0.012 0.000 0.971 412 D CA 1.120 55.127 54.000 0.012 0.000 0.867 412 D CB -0.099 40.706 40.800 0.009 0.000 0.929 412 D HN 0.475 nan 8.370 nan 0.000 0.492 413 T N 0.601 115.158 114.554 0.005 0.000 2.824 413 T HA 0.492 4.842 4.350 0.000 0.000 0.282 413 T C 0.300 174.995 174.700 -0.010 0.000 0.993 413 T CA -0.601 61.498 62.100 -0.001 0.000 0.967 413 T CB 2.067 70.935 68.868 -0.000 0.000 0.960 413 T HN -0.150 nan 8.240 nan 0.000 0.441 414 I N 3.052 123.607 120.570 -0.024 0.000 2.312 414 I HA 0.238 4.408 4.170 0.000 0.000 0.291 414 I C 0.327 176.421 176.117 -0.037 0.000 1.031 414 I CA -0.299 60.975 61.300 -0.044 0.000 1.293 414 I CB 0.844 38.783 38.000 -0.101 0.000 1.403 414 I HN 0.499 nan 8.210 nan 0.000 0.484 415 T N 7.857 122.400 114.554 -0.018 0.000 2.770 415 T HA 0.474 4.824 4.350 0.000 0.000 0.297 415 T C -0.027 174.694 174.700 0.035 0.000 0.997 415 T CA -0.472 61.634 62.100 0.010 0.000 0.949 415 T CB 0.439 69.281 68.868 -0.045 0.000 0.941 415 T HN 0.282 nan 8.240 nan 0.000 0.457 416 L N 6.490 127.758 121.223 0.076 0.000 2.276 416 L HA 0.404 4.745 4.340 0.000 0.000 0.286 416 L C -1.975 175.000 176.870 0.174 0.000 1.061 416 L CA -2.336 52.566 54.840 0.105 0.000 0.807 416 L CB 0.658 42.780 42.059 0.105 0.000 1.177 416 L HN 0.294 nan 8.230 nan 0.000 0.429 417 P HA 0.161 nan 4.420 nan 0.000 0.276 417 P C -0.965 176.455 177.300 0.200 0.000 1.230 417 P CA -0.356 62.845 63.100 0.169 0.000 0.776 417 P CB 1.087 32.857 31.700 0.118 0.000 0.888 418 c N 3.512 122.240 118.600 0.213 0.000 2.889 418 c HA 0.610 5.180 4.570 0.000 0.000 0.307 418 c C 0.217 174.382 174.090 0.125 0.000 1.251 418 c CA -0.642 55.822 56.329 0.226 0.000 1.593 418 c CB 2.185 44.901 42.510 0.344 0.000 2.104 418 c HN 0.558 nan 8.230 nan 0.000 0.476 419 R N 0.973 121.533 120.500 0.100 0.000 2.621 419 R HA 0.674 5.014 4.340 0.000 0.000 0.292 419 R C -1.301 174.945 176.300 -0.089 0.000 0.969 419 R CA -0.489 55.607 56.100 -0.006 0.000 0.887 419 R CB 1.648 31.945 30.300 -0.004 0.000 1.180 419 R HN 0.621 nan 8.270 nan 0.000 0.450 420 I N 2.971 123.400 120.570 -0.235 0.000 2.365 420 I HA 0.254 4.424 4.170 0.000 0.000 0.291 420 I C 0.089 176.152 176.117 -0.090 0.000 1.004 420 I CA -0.193 60.940 61.300 -0.279 0.000 1.311 420 I CB 1.109 38.851 38.000 -0.430 0.000 1.401 420 I HN 0.354 nan 8.210 nan 0.000 0.491 421 K N 4.615 125.035 120.400 0.034 0.000 2.295 421 K HA 0.445 4.765 4.320 0.000 0.000 0.239 421 K C -0.305 176.362 176.600 0.112 0.000 0.991 421 K CA -0.702 55.574 56.287 -0.018 0.000 0.845 421 K CB 2.014 34.344 32.500 -0.284 0.000 1.197 421 K HN 0.349 nan 8.250 nan 0.000 0.441 422 Q N 0.103 119.948 119.800 0.074 0.000 2.431 422 Q HA 0.297 4.637 4.340 0.000 0.000 0.244 422 Q C -0.174 175.922 176.000 0.159 0.000 0.880 422 Q CA 0.494 56.390 55.803 0.154 0.000 0.954 422 Q CB 0.686 29.484 28.738 0.099 0.000 1.105 422 Q HN 0.442 nan 8.270 nan 0.000 0.558 423 I N 2.050 122.655 120.570 0.057 0.000 2.307 423 I HA 0.276 4.446 4.170 0.000 0.000 0.289 423 I C -0.838 175.286 176.117 0.013 0.000 1.021 423 I CA -0.560 60.758 61.300 0.030 0.000 1.224 423 I CB 0.953 38.943 38.000 -0.016 0.000 1.376 423 I HN -0.008 nan 8.210 nan 0.000 0.470 424 I N 5.316 125.911 120.570 0.041 0.000 2.509 424 I HA 0.325 4.495 4.170 0.000 0.000 0.293 424 I C -0.092 176.014 176.117 -0.018 0.000 1.020 424 I CA -0.797 60.519 61.300 0.025 0.000 1.088 424 I CB 1.565 39.521 38.000 -0.073 0.000 1.267 424 I HN 0.485 nan 8.210 nan 0.000 0.430 425 N N 5.958 124.615 118.700 -0.071 0.000 2.497 425 N HA 0.305 5.045 4.740 0.000 0.000 0.271 425 N C -0.179 175.283 175.510 -0.080 0.000 1.142 425 N CA -0.196 52.800 53.050 -0.090 0.000 0.965 425 N CB 1.218 39.630 38.487 -0.125 0.000 1.077 425 N HN 0.494 nan 8.380 nan 0.000 0.462 426 M N 2.100 121.674 119.600 -0.044 0.000 2.228 426 M HA 0.052 4.532 4.480 0.000 0.000 0.351 426 M C 1.537 177.822 176.300 -0.025 0.000 1.233 426 M CA -0.175 55.100 55.300 -0.041 0.000 1.129 426 M CB 0.883 33.424 32.600 -0.098 0.000 1.604 426 M HN 0.701 nan 8.290 nan 0.000 0.457 427 W N 1.962 123.257 121.300 -0.007 0.000 2.737 427 W HA -0.001 4.659 4.660 0.000 0.000 0.262 427 W C 0.652 177.178 176.519 0.012 0.000 1.282 427 W CA 0.324 57.666 57.345 -0.005 0.000 1.386 427 W CB -0.484 29.021 29.460 0.076 0.000 1.099 427 W HN 0.616 nan 8.180 nan 0.000 0.621 428 Q N 1.924 121.225 119.800 -0.831 0.000 2.245 428 Q HA -0.014 4.326 4.340 0.000 0.000 0.201 428 Q C 0.554 176.391 176.000 -0.272 0.000 0.955 428 Q CA 1.645 56.950 55.803 -0.831 0.000 0.870 428 Q CB -0.048 28.102 28.738 -0.981 0.000 0.945 428 Q HN 0.439 nan 8.270 nan 0.000 0.461 429 K N -2.754 117.536 120.400 -0.183 0.000 2.672 429 K HA 0.398 4.718 4.320 0.000 0.000 0.295 429 K C -1.204 175.360 176.600 -0.060 0.000 1.042 429 K CA -0.886 55.355 56.287 -0.077 0.000 0.869 429 K CB 0.860 33.314 32.500 -0.078 0.000 1.541 429 K HN -0.252 nan 8.250 nan 0.000 0.396 430 V N 0.866 120.759 119.914 -0.035 0.000 2.485 430 V HA 0.512 4.632 4.120 0.000 0.000 0.287 430 V C 0.641 176.710 176.094 -0.041 0.000 1.022 430 V CA 1.493 63.773 62.300 -0.032 0.000 1.067 430 V CB -0.076 31.734 31.823 -0.021 0.000 0.967 430 V HN 0.958 nan 8.190 nan 0.000 0.479 431 G N 5.097 113.870 108.800 -0.044 0.000 2.320 431 G HA2 0.365 4.325 3.960 0.000 0.000 0.297 431 G HA3 0.365 4.325 3.960 0.000 0.000 0.297 431 G C -1.618 173.256 174.900 -0.044 0.000 1.344 431 G CA -0.930 44.144 45.100 -0.044 0.000 0.851 431 G HN 0.513 nan 8.290 nan 0.000 0.567 432 K N -0.648 119.727 120.400 -0.041 0.000 2.375 432 K HA 0.801 5.121 4.320 0.000 0.000 0.249 432 K C -0.513 176.064 176.600 -0.039 0.000 0.942 432 K CA -0.557 55.709 56.287 -0.036 0.000 0.806 432 K CB 2.524 35.002 32.500 -0.036 0.000 1.227 432 K HN 0.982 nan 8.250 nan 0.000 0.430 433 A N 2.422 125.227 122.820 -0.025 0.000 2.386 433 A HA 0.687 5.007 4.320 0.000 0.000 0.311 433 A C -1.313 176.226 177.584 -0.074 0.000 1.068 433 A CA -0.723 51.268 52.037 -0.076 0.000 0.743 433 A CB 1.401 20.369 19.000 -0.053 0.000 1.258 433 A HN 0.766 nan 8.150 nan 0.000 0.429 434 M N 2.150 121.642 119.600 -0.179 0.000 2.243 434 M HA 0.649 5.129 4.480 0.000 0.000 0.324 434 M C -1.994 174.171 176.300 -0.225 0.000 1.031 434 M CA -0.378 54.865 55.300 -0.095 0.000 0.949 434 M CB 1.067 33.633 32.600 -0.056 0.000 1.615 434 M HN 0.732 nan 8.290 nan 0.000 0.430 435 Y N 1.973 122.310 120.300 0.062 0.000 2.528 435 Y HA 0.733 5.283 4.550 0.000 0.000 0.335 435 Y C 0.437 176.376 175.900 0.065 0.000 1.093 435 Y CA -0.743 57.412 58.100 0.092 0.000 1.134 435 Y CB 1.633 40.204 38.460 0.185 0.000 1.253 435 Y HN 0.757 nan 8.280 nan 0.000 0.478 436 A N 2.620 125.565 122.820 0.209 0.000 2.366 436 A HA 0.507 4.827 4.320 0.000 0.000 0.249 436 A C -2.460 175.196 177.584 0.120 0.000 1.084 436 A CA -1.383 50.726 52.037 0.121 0.000 0.794 436 A CB -0.476 18.576 19.000 0.087 0.000 1.034 436 A HN 0.485 nan 8.150 nan 0.000 0.491 437 P HA 0.265 nan 4.420 nan 0.000 0.271 437 P C -2.488 174.836 177.300 0.039 0.000 1.233 437 P CA -0.877 62.252 63.100 0.049 0.000 0.789 437 P CB -0.452 31.264 31.700 0.027 0.000 0.951 438 P HA 0.104 nan 4.420 nan 0.000 0.269 438 P C 0.354 177.662 177.300 0.013 0.000 1.215 438 P CA 0.239 63.344 63.100 0.009 0.000 0.780 438 P CB 0.146 31.838 31.700 -0.014 0.000 0.898 439 I N -2.421 118.158 120.570 0.015 0.000 4.227 439 I HA 0.276 4.446 4.170 0.000 0.000 0.334 439 I C 0.465 176.589 176.117 0.013 0.000 1.341 439 I CA 0.056 61.365 61.300 0.015 0.000 1.123 439 I CB 0.449 38.460 38.000 0.017 0.000 1.097 439 I HN 0.101 nan 8.210 nan 0.000 0.399 440 S N 1.353 117.062 115.700 0.014 0.000 2.480 440 S HA 0.608 5.078 4.470 0.000 0.000 0.286 440 S C 1.033 175.643 174.600 0.018 0.000 1.180 440 S CA -0.153 58.057 58.200 0.016 0.000 1.075 440 S CB 1.429 64.641 63.200 0.020 0.000 0.996 440 S HN 0.412 nan 8.310 nan 0.000 0.487 441 G N 2.620 111.431 108.800 0.017 0.000 3.042 441 G HA2 0.167 4.127 3.960 0.000 0.000 0.212 441 G HA3 0.167 4.127 3.960 0.000 0.000 0.212 441 G C 0.287 175.201 174.900 0.024 0.000 1.166 441 G CA -0.070 45.041 45.100 0.019 0.000 0.767 441 G HN 0.690 nan 8.290 nan 0.000 0.546 442 Q N 0.602 120.417 119.800 0.026 0.000 3.075 442 Q HA 0.324 4.664 4.340 0.000 0.000 0.318 442 Q C -0.914 175.108 176.000 0.036 0.000 0.907 442 Q CA -0.263 55.557 55.803 0.028 0.000 0.882 442 Q CB 1.161 29.911 28.738 0.020 0.000 1.386 442 Q HN 0.314 nan 8.270 nan 0.000 0.408 443 I N 2.338 122.943 120.570 0.059 0.000 2.301 443 I HA 0.302 4.473 4.170 0.000 0.000 0.292 443 I C -0.044 176.119 176.117 0.078 0.000 1.046 443 I CA -0.232 61.120 61.300 0.088 0.000 1.282 443 I CB 0.274 38.374 38.000 0.167 0.000 1.409 443 I HN 0.048 nan 8.210 nan 0.000 0.484 444 R N 5.457 125.973 120.500 0.027 0.000 2.561 444 R HA 0.642 4.982 4.340 0.000 0.000 0.297 444 R C -1.483 174.789 176.300 -0.046 0.000 0.969 444 R CA -0.551 55.543 56.100 -0.010 0.000 0.879 444 R CB 1.957 32.251 30.300 -0.011 0.000 1.178 444 R HN 0.523 nan 8.270 nan 0.000 0.445 445 c N 0.428 118.973 118.600 -0.091 0.000 2.707 445 c HA 0.676 5.246 4.570 0.000 0.000 0.313 445 c C 0.042 174.062 174.090 -0.117 0.000 1.209 445 c CA -0.610 55.650 56.329 -0.115 0.000 1.635 445 c CB 2.345 44.753 42.510 -0.169 0.000 2.206 445 c HN 0.801 nan 8.230 nan 0.000 0.485 446 S N 1.589 117.225 115.700 -0.106 0.000 2.733 446 S HA 0.739 5.209 4.470 0.000 0.000 0.294 446 S C -0.788 173.748 174.600 -0.107 0.000 1.149 446 S CA -0.168 57.971 58.200 -0.102 0.000 1.034 446 S CB 0.846 64.006 63.200 -0.067 0.000 1.015 446 S HN 0.811 nan 8.310 nan 0.000 0.486 447 S N 3.719 119.339 115.700 -0.133 0.000 2.648 447 S HA 0.586 5.056 4.470 0.000 0.000 0.305 447 S C -0.899 173.647 174.600 -0.090 0.000 1.094 447 S CA -1.019 57.111 58.200 -0.118 0.000 0.983 447 S CB 1.109 64.210 63.200 -0.164 0.000 1.101 447 S HN 0.756 nan 8.310 nan 0.000 0.514 448 N N 1.448 120.111 118.700 -0.061 0.000 2.419 448 N HA 0.412 5.153 4.740 0.000 0.000 0.277 448 N C -0.843 174.648 175.510 -0.033 0.000 1.006 448 N CA -0.293 52.734 53.050 -0.039 0.000 0.923 448 N CB 0.859 39.334 38.487 -0.019 0.000 1.140 448 N HN 0.504 nan 8.380 nan 0.000 0.488 449 I N 1.607 122.163 120.570 -0.024 0.000 2.436 449 I HA 0.012 4.183 4.170 0.000 0.000 0.289 449 I C 1.484 177.619 176.117 0.031 0.000 1.083 449 I CA 0.215 61.517 61.300 0.004 0.000 1.372 449 I CB 0.465 38.493 38.000 0.048 0.000 1.408 449 I HN 0.572 nan 8.210 nan 0.000 0.516 450 T N 0.888 115.459 114.554 0.028 0.000 3.003 450 T HA 0.444 4.794 4.350 0.000 0.000 0.261 450 T C 0.473 175.189 174.700 0.026 0.000 1.003 450 T CA -0.073 62.042 62.100 0.025 0.000 0.917 450 T CB 0.627 69.513 68.868 0.029 0.000 1.084 450 T HN 0.729 nan 8.240 nan 0.000 0.522 451 G N 0.597 109.421 108.800 0.040 0.000 2.559 451 G HA2 0.581 4.541 3.960 0.000 0.000 0.291 451 G HA3 0.581 4.541 3.960 0.000 0.000 0.291 451 G C -2.486 172.457 174.900 0.072 0.000 1.424 451 G CA -0.894 44.230 45.100 0.039 0.000 0.786 451 G HN 0.235 nan 8.290 nan 0.000 0.485 452 L N -0.851 120.420 121.223 0.079 0.000 2.376 452 L HA 0.693 5.033 4.340 0.000 0.000 0.258 452 L C -0.472 176.456 176.870 0.098 0.000 1.013 452 L CA -0.593 54.320 54.840 0.122 0.000 0.822 452 L CB 2.217 44.387 42.059 0.185 0.000 1.388 452 L HN 0.470 nan 8.230 nan 0.000 0.413 453 L N 2.920 124.201 121.223 0.096 0.000 2.305 453 L HA 0.660 5.000 4.340 0.000 0.000 0.284 453 L C -0.957 175.959 176.870 0.076 0.000 1.013 453 L CA -0.312 54.577 54.840 0.081 0.000 0.819 453 L CB 1.282 43.376 42.059 0.060 0.000 1.227 453 L HN 0.364 nan 8.230 nan 0.000 0.417 454 L N 2.411 123.699 121.223 0.109 0.000 2.354 454 L HA 0.727 5.067 4.340 0.000 0.000 0.264 454 L C -0.043 176.915 176.870 0.147 0.000 1.008 454 L CA -0.597 54.326 54.840 0.137 0.000 0.819 454 L CB 2.633 44.838 42.059 0.243 0.000 1.339 454 L HN 0.584 nan 8.230 nan 0.000 0.420 455 T N -1.380 113.248 114.554 0.124 0.000 2.887 455 T HA 0.528 4.878 4.350 0.000 0.000 0.288 455 T C -0.589 174.141 174.700 0.050 0.000 1.021 455 T CA -0.896 61.255 62.100 0.085 0.000 1.000 455 T CB 2.234 71.109 68.868 0.012 0.000 1.034 455 T HN 0.595 nan 8.240 nan 0.000 0.467 456 R N 1.307 121.772 120.500 -0.058 0.000 2.349 456 R HA 0.306 4.646 4.340 0.000 0.000 0.299 456 R C 0.019 176.122 176.300 -0.329 0.000 1.027 456 R CA -0.446 55.397 56.100 -0.428 0.000 0.958 456 R CB 0.723 30.680 30.300 -0.572 0.000 1.047 456 R HN 0.720 nan 8.270 nan 0.000 0.468 457 D N 2.492 122.664 120.400 -0.380 0.000 2.078 457 D HA -0.005 4.635 4.640 0.000 0.000 0.193 457 D C 1.115 177.285 176.300 -0.216 0.000 0.990 457 D CA 1.973 55.830 54.000 -0.239 0.000 0.827 457 D CB -0.280 40.392 40.800 -0.214 0.000 0.975 457 D HN 0.825 nan 8.370 nan 0.000 0.451 458 G N -0.330 108.302 108.800 -0.279 0.000 2.564 458 G HA2 0.171 4.131 3.960 0.000 0.000 0.273 458 G HA3 0.171 4.131 3.960 0.000 0.000 0.273 458 G C 0.568 175.387 174.900 -0.135 0.000 1.242 458 G CA 0.097 45.074 45.100 -0.205 0.000 0.951 458 G HN 1.278 nan 8.290 nan 0.000 0.564 459 G N -1.845 106.899 108.800 -0.093 0.000 2.699 459 G HA2 0.249 4.209 3.960 0.000 0.000 0.686 459 G HA3 0.249 4.209 3.960 0.000 0.000 0.686 459 G C -0.515 174.350 174.900 -0.057 0.000 1.301 459 G CA 0.433 45.492 45.100 -0.067 0.000 0.816 459 G HN 1.720 nan 8.290 nan 0.000 0.595 460 N N 0.426 119.102 118.700 -0.041 0.000 2.420 460 N HA 0.561 5.301 4.740 0.000 0.000 0.262 460 N C -0.091 175.400 175.510 -0.033 0.000 1.144 460 N CA 0.681 53.712 53.050 -0.032 0.000 0.952 460 N CB 1.518 39.990 38.487 -0.024 0.000 1.081 460 N HN 0.854 nan 8.380 nan 0.000 0.480 461 S N 1.187 116.867 115.700 -0.032 0.000 2.562 461 S HA 0.199 4.669 4.470 0.000 0.000 0.274 461 S C -0.213 174.373 174.600 -0.024 0.000 1.160 461 S CA -0.908 57.274 58.200 -0.031 0.000 0.933 461 S CB 0.365 63.539 63.200 -0.044 0.000 1.100 461 S HN 0.609 nan 8.310 nan 0.000 0.468 462 N N 3.318 122.007 118.700 -0.018 0.000 2.362 462 N HA 0.018 4.758 4.740 0.000 0.000 0.204 462 N C -0.152 175.352 175.510 -0.011 0.000 1.166 462 N CA -0.241 52.802 53.050 -0.012 0.000 0.831 462 N CB -0.283 38.199 38.487 -0.008 0.000 1.008 462 N HN 0.486 nan 8.380 nan 0.000 0.472 463 N N 1.362 120.052 118.700 -0.017 0.000 2.455 463 N HA 0.034 4.774 4.740 0.000 0.000 0.280 463 N C -0.692 174.811 175.510 -0.013 0.000 1.055 463 N CA -0.076 52.966 53.050 -0.015 0.000 0.961 463 N CB 0.884 39.358 38.487 -0.022 0.000 1.121 463 N HN 0.159 nan 8.380 nan 0.000 0.476 464 E N 1.343 121.543 120.200 -0.001 0.000 2.594 464 E HA 0.042 4.392 4.350 0.000 0.000 0.300 464 E C -0.474 176.134 176.600 0.015 0.000 1.568 464 E CA -0.193 56.213 56.400 0.009 0.000 1.811 464 E CB -0.034 29.676 29.700 0.017 0.000 1.458 464 E HN 0.500 nan 8.360 nan 0.000 0.470 465 S N 0.035 115.732 115.700 -0.005 0.000 2.546 465 S HA 0.443 4.913 4.470 0.000 0.000 0.274 465 S C -0.758 173.803 174.600 -0.065 0.000 1.121 465 S CA -1.130 57.067 58.200 -0.006 0.000 0.887 465 S CB 2.325 65.525 63.200 -0.001 0.000 1.094 465 S HN -0.036 nan 8.310 nan 0.000 0.474 466 E N 1.728 121.886 120.200 -0.071 0.000 2.222 466 E HA 0.501 4.851 4.350 0.000 0.000 0.267 466 E C -0.894 175.520 176.600 -0.311 0.000 0.884 466 E CA -0.497 55.745 56.400 -0.264 0.000 0.764 466 E CB 2.141 31.653 29.700 -0.313 0.000 1.169 466 E HN 0.712 nan 8.360 nan 0.000 0.413 467 I N 2.829 123.098 120.570 -0.501 0.000 2.359 467 I HA 0.367 4.537 4.170 0.000 0.000 0.294 467 I C -0.580 175.168 176.117 -0.615 0.000 0.987 467 I CA -0.615 60.474 61.300 -0.351 0.000 1.225 467 I CB 0.600 38.483 38.000 -0.197 0.000 1.366 467 I HN 0.272 nan 8.210 nan 0.000 0.466 468 F N 4.901 124.781 119.950 -0.116 0.000 2.540 468 F HA 0.619 5.147 4.527 0.000 0.000 0.317 468 F C 0.126 175.977 175.800 0.084 0.000 1.104 468 F CA -0.665 57.319 58.000 -0.027 0.000 0.913 468 F CB 1.672 40.666 39.000 -0.011 0.000 1.170 468 F HN 0.266 nan 8.300 nan 0.000 0.450 469 R N 2.542 123.138 120.500 0.160 0.000 2.807 469 R HA 0.507 4.847 4.340 0.000 0.000 0.276 469 R C -2.818 173.400 176.300 -0.136 0.000 0.979 469 R CA -2.163 53.943 56.100 0.010 0.000 0.928 469 R CB 2.051 32.346 30.300 -0.007 0.000 1.191 469 R HN 0.269 nan 8.270 nan 0.000 0.471 470 P HA 0.075 nan 4.420 nan 0.000 0.269 470 P C -0.569 176.648 177.300 -0.138 0.000 1.209 470 P CA 0.121 62.951 63.100 -0.451 0.000 0.776 470 P CB 1.266 32.541 31.700 -0.708 0.000 0.876 471 G N 0.123 108.894 108.800 -0.048 0.000 3.214 471 G HA2 0.725 4.686 3.960 0.000 0.000 0.188 471 G HA3 0.725 4.686 3.960 0.000 0.000 0.188 471 G C -0.151 174.769 174.900 0.034 0.000 1.126 471 G CA -0.320 44.781 45.100 0.002 0.000 0.796 471 G HN 0.804 nan 8.290 nan 0.000 0.631 472 G N -2.755 106.063 108.800 0.031 0.000 2.610 472 G HA2 0.467 4.427 3.960 0.000 0.000 0.304 472 G HA3 0.467 4.427 3.960 0.000 0.000 0.304 472 G C 0.853 175.771 174.900 0.030 0.000 1.309 472 G CA 0.922 46.041 45.100 0.033 0.000 0.906 472 G HN 2.567 nan 8.290 nan 0.000 0.521 473 G N -1.179 107.640 108.800 0.031 0.000 2.796 473 G HA2 0.016 3.976 3.960 0.000 0.000 0.198 473 G HA3 0.016 3.976 3.960 0.000 0.000 0.198 473 G C 0.156 175.080 174.900 0.040 0.000 1.062 473 G CA 1.030 46.151 45.100 0.036 0.000 0.752 473 G HN 1.678 nan 8.290 nan 0.000 0.487 474 D N 2.019 122.421 120.400 0.003 0.000 2.352 474 D HA 0.443 5.083 4.640 0.000 0.000 0.245 474 D C 1.912 178.132 176.300 -0.134 0.000 1.224 474 D CA -0.498 53.492 54.000 -0.017 0.000 0.879 474 D CB 0.514 41.297 40.800 -0.029 0.000 1.057 474 D HN 0.069 nan 8.370 nan 0.000 0.491 475 M N 3.113 122.625 119.600 -0.147 0.000 2.460 475 M HA -0.049 4.431 4.480 0.000 0.000 0.263 475 M C 1.701 177.396 176.300 -1.009 0.000 1.071 475 M CA 0.753 55.704 55.300 -0.581 0.000 1.096 475 M CB -0.566 31.704 32.600 -0.550 0.000 1.408 475 M HN 0.377 nan 8.290 nan 0.000 0.463 476 R N 0.427 120.600 120.500 -0.546 0.000 2.105 476 R HA -0.159 4.182 4.340 0.000 0.000 0.239 476 R C 1.641 177.782 176.300 -0.264 0.000 1.135 476 R CA 1.292 57.163 56.100 -0.381 0.000 0.967 476 R CB -0.275 29.892 30.300 -0.221 0.000 0.861 476 R HN 0.372 nan 8.270 nan 0.000 0.442 477 D N 0.073 120.342 120.400 -0.217 0.000 2.144 477 D HA -0.117 4.523 4.640 0.000 0.000 0.200 477 D C 1.410 177.616 176.300 -0.157 0.000 0.978 477 D CA 0.957 54.901 54.000 -0.094 0.000 0.833 477 D CB -0.362 40.430 40.800 -0.014 0.000 0.961 477 D HN 0.307 nan 8.370 nan 0.000 0.470 478 N N 0.123 118.601 118.700 -0.369 0.000 2.069 478 N HA -0.165 4.575 4.740 0.000 0.000 0.191 478 N C 1.998 177.471 175.510 -0.061 0.000 1.031 478 N CA 1.087 53.925 53.050 -0.354 0.000 0.852 478 N CB -0.290 37.756 38.487 -0.735 0.000 1.018 478 N HN 0.420 nan 8.380 nan 0.000 0.423 479 W N 1.304 122.641 121.300 0.061 0.000 2.388 479 W HA 0.048 4.708 4.660 0.000 0.000 0.294 479 W C 2.598 179.155 176.519 0.064 0.000 1.212 479 W CA -0.495 56.891 57.345 0.067 0.000 1.271 479 W CB -0.257 29.245 29.460 0.070 0.000 1.126 479 W HN 0.006 nan 8.180 nan 0.000 0.535 480 R N 1.222 121.833 120.500 0.184 0.000 2.105 480 R HA -0.180 4.160 4.340 0.000 0.000 0.239 480 R C 2.458 178.828 176.300 0.117 0.000 1.135 480 R CA 1.922 58.067 56.100 0.074 0.000 0.967 480 R CB -0.503 29.741 30.300 -0.093 0.000 0.861 480 R HN 0.182 nan 8.270 nan 0.000 0.442 481 S N 0.020 115.785 115.700 0.109 0.000 2.440 481 S HA -0.106 4.364 4.470 0.000 0.000 0.238 481 S C 1.354 176.140 174.600 0.309 0.000 1.010 481 S CA 1.017 59.291 58.200 0.122 0.000 0.972 481 S CB 0.044 63.291 63.200 0.079 0.000 0.774 481 S HN 0.307 nan 8.310 nan 0.000 0.501 482 E N 0.623 121.035 120.200 0.353 0.000 2.330 482 E HA 0.307 4.657 4.350 0.000 0.000 0.200 482 E C 1.637 178.489 176.600 0.420 0.000 0.922 482 E CA 0.245 56.899 56.400 0.424 0.000 0.935 482 E CB -0.043 29.883 29.700 0.377 0.000 0.917 482 E HN 0.511 nan 8.360 nan 0.000 0.491 483 L N 1.323 122.746 121.223 0.335 0.000 2.607 483 L HA 0.056 4.396 4.340 0.000 0.000 0.228 483 L C 2.067 179.040 176.870 0.172 0.000 1.123 483 L CA -0.045 54.976 54.840 0.302 0.000 0.890 483 L CB -0.335 41.840 42.059 0.193 0.000 1.103 483 L HN 0.154 nan 8.230 nan 0.000 0.468 484 Y N 1.038 121.386 120.300 0.080 0.000 2.315 484 Y HA -0.248 4.302 4.550 0.000 0.000 0.288 484 Y C 2.124 178.062 175.900 0.063 0.000 1.154 484 Y CA 1.344 59.446 58.100 0.004 0.000 1.229 484 Y CB -0.700 37.710 38.460 -0.084 0.000 0.980 484 Y HN 0.208 nan 8.280 nan 0.000 0.540 485 K N -0.993 118.861 120.400 -0.910 0.000 2.374 485 K HA 0.157 4.477 4.320 0.000 0.000 0.196 485 K C -1.034 175.199 176.600 -0.612 0.000 1.023 485 K CA -0.207 55.521 56.287 -0.933 0.000 1.103 485 K CB -0.201 31.530 32.500 -1.281 0.000 0.848 485 K HN 0.336 nan 8.250 nan 0.000 0.528 486 Y N 1.627 121.914 120.300 -0.023 0.000 2.446 486 Y HA 0.402 4.952 4.550 0.000 0.000 0.338 486 Y C -0.283 175.739 175.900 0.204 0.000 1.055 486 Y CA -1.028 57.149 58.100 0.127 0.000 1.101 486 Y CB 1.969 40.454 38.460 0.041 0.000 1.221 486 Y HN -0.116 nan 8.280 nan 0.000 0.460 487 K N 1.013 121.605 120.400 0.320 0.000 2.527 487 K HA 0.711 5.031 4.320 0.000 0.000 0.260 487 K C -2.327 174.299 176.600 0.043 0.000 0.937 487 K CA -0.686 55.642 56.287 0.069 0.000 0.826 487 K CB 2.150 34.485 32.500 -0.274 0.000 1.359 487 K HN 0.527 nan 8.250 nan 0.000 0.434 488 V N 3.557 123.476 119.914 0.009 0.000 2.398 488 V HA 0.476 4.596 4.120 0.000 0.000 0.286 488 V C -0.744 175.424 176.094 0.124 0.000 1.026 488 V CA -0.680 61.645 62.300 0.043 0.000 0.868 488 V CB 1.425 33.204 31.823 -0.074 0.000 0.982 488 V HN 0.570 nan 8.190 nan 0.000 0.443 489 V N 5.689 125.726 119.914 0.206 0.000 2.876 489 V HA 0.591 4.711 4.120 0.000 0.000 0.312 489 V C -0.341 175.858 176.094 0.174 0.000 1.085 489 V CA -1.100 61.311 62.300 0.185 0.000 0.945 489 V CB 2.463 34.307 31.823 0.034 0.000 1.017 489 V HN 0.908 nan 8.190 nan 0.000 0.428 490 K N 5.666 126.059 120.400 -0.011 0.000 2.451 490 K HA 0.328 4.648 4.320 0.000 0.000 0.280 490 K C 0.056 176.544 176.600 -0.186 0.000 1.020 490 K CA 0.481 56.564 56.287 -0.341 0.000 1.008 490 K CB 0.166 32.478 32.500 -0.312 0.000 0.917 490 K HN 0.634 nan 8.250 nan 0.000 0.478 491 I N 0.000 120.444 120.570 -0.210 0.000 2.984 491 I HA 0.000 4.170 4.170 0.000 0.000 0.288 491 I CA 0.000 61.234 61.300 -0.110 0.000 1.566 491 I CB 0.000 37.961 38.000 -0.066 0.000 1.214 491 I HN 0.000 nan 8.210 nan 0.000 0.494