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 2ny2_1_A DATA FIRST_RESID 83 DATA SEQUENCE EVVLVNVTEN FNMWKNDMVE QMHEDIISLW DQSLKPcVKL cPLcVGAXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XGScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNNKT DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSSQLLLN GSLAEEEVVI RSVNFTDNAK DATA SEQUENCE TIIVQLNTSV EINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE IARAKWNNTL KQIASKLREQ FGNNKTIIFK QSSGGDPEIV THWFNcGGEF DATA SEQUENCE FYcNSTQLFN STWFNXXXXX XXXXXXXGSD TITLPcRIKQ IINMWQKVcK 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 0.000 176.617 176.600 0.029 0.000 1.382 83 E CA 0.000 56.424 56.400 0.039 0.000 0.976 83 E CB 0.000 29.727 29.700 0.046 0.000 0.812 84 V N 2.416 122.349 119.914 0.031 0.000 2.304 84 V HA 0.598 4.718 4.120 0.000 0.000 0.278 84 V C 0.184 176.291 176.094 0.022 0.000 1.018 84 V CA -0.899 61.415 62.300 0.023 0.000 0.814 84 V CB 0.773 32.609 31.823 0.023 0.000 1.021 84 V HN 0.201 nan 8.190 nan 0.000 0.440 85 V N 3.203 123.126 119.914 0.014 0.000 2.529 85 V HA 0.335 4.456 4.120 0.000 0.000 0.292 85 V C 0.236 176.336 176.094 0.011 0.000 1.028 85 V CA -0.181 62.125 62.300 0.009 0.000 1.074 85 V CB 0.345 32.169 31.823 0.001 0.000 0.958 85 V HN 0.660 nan 8.190 nan 0.000 0.481 86 L N 6.987 128.218 121.223 0.013 0.000 2.312 86 L HA 0.304 4.644 4.340 0.000 0.000 0.287 86 L C 0.388 177.263 176.870 0.008 0.000 1.091 86 L CA 0.141 54.989 54.840 0.013 0.000 0.846 86 L CB 0.869 42.940 42.059 0.020 0.000 1.219 86 L HN 0.788 nan 8.230 nan 0.000 0.439 87 V N 1.507 121.424 119.914 0.006 0.000 2.540 87 V HA 0.194 4.314 4.120 0.000 0.000 0.297 87 V C 0.901 176.997 176.094 0.004 0.000 1.024 87 V CA -0.617 61.685 62.300 0.003 0.000 1.105 87 V CB 0.058 31.883 31.823 0.002 0.000 0.938 87 V HN 0.894 nan 8.190 nan 0.000 0.482 88 N N 1.192 119.894 118.700 0.003 0.000 2.725 88 N HA -0.145 4.595 4.740 0.000 0.000 0.249 88 N C -0.380 175.134 175.510 0.007 0.000 1.103 88 N CA 1.121 54.174 53.050 0.004 0.000 0.707 88 N CB -1.224 37.265 38.487 0.004 0.000 1.043 88 N HN 0.763 nan 8.380 nan 0.000 0.553 89 V N 0.402 120.321 119.914 0.009 0.000 2.435 89 V HA 0.440 4.560 4.120 0.000 0.000 0.290 89 V C 0.616 176.722 176.094 0.020 0.000 1.030 89 V CA -0.307 62.001 62.300 0.014 0.000 0.881 89 V CB 2.151 33.984 31.823 0.017 0.000 0.983 89 V HN 0.112 nan 8.190 nan 0.000 0.445 90 T N 4.813 119.382 114.554 0.025 0.000 2.770 90 T HA 0.435 4.785 4.350 0.000 0.000 0.283 90 T C -0.551 174.178 174.700 0.049 0.000 0.988 90 T CA -0.462 61.660 62.100 0.037 0.000 0.957 90 T CB 0.925 69.814 68.868 0.036 0.000 0.930 90 T HN 0.593 nan 8.240 nan 0.000 0.443 91 E N 2.971 123.221 120.200 0.083 0.000 2.210 91 E HA 0.299 4.650 4.350 0.000 0.000 0.266 91 E C -0.500 176.181 176.600 0.134 0.000 0.883 91 E CA -0.809 55.627 56.400 0.061 0.000 0.761 91 E CB 1.497 31.206 29.700 0.015 0.000 1.156 91 E HN 0.477 nan 8.360 nan 0.000 0.412 92 N N 2.271 121.006 118.700 0.057 0.000 2.497 92 N HA 0.230 4.970 4.740 0.000 0.000 0.271 92 N C -0.723 174.821 175.510 0.058 0.000 1.142 92 N CA 0.324 53.455 53.050 0.135 0.000 0.965 92 N CB 0.416 38.956 38.487 0.088 0.000 1.077 92 N HN 0.219 nan 8.380 nan 0.000 0.462 93 F N 0.839 120.908 119.950 0.198 0.000 2.522 93 F HA 0.338 4.866 4.527 0.000 0.000 0.324 93 F C 0.599 176.517 175.800 0.197 0.000 1.077 93 F CA -0.907 57.228 58.000 0.225 0.000 0.944 93 F CB 1.451 40.688 39.000 0.395 0.000 1.175 93 F HN 0.279 nan 8.300 nan 0.000 0.468 94 N N 3.215 122.090 118.700 0.291 0.000 2.640 94 N HA 0.160 4.900 4.740 0.000 0.000 0.262 94 N C 0.280 175.864 175.510 0.124 0.000 1.174 94 N CA -0.386 52.791 53.050 0.211 0.000 0.791 94 N CB 0.927 39.521 38.487 0.178 0.000 1.279 94 N HN 0.737 nan 8.380 nan 0.000 0.535 95 M N -0.012 119.577 119.600 -0.020 0.000 2.358 95 M HA 0.110 4.590 4.480 0.000 0.000 0.264 95 M C 0.291 176.371 176.300 -0.368 0.000 1.064 95 M CA 1.166 56.326 55.300 -0.234 0.000 1.093 95 M CB -0.166 32.165 32.600 -0.448 0.000 1.401 95 M HN 0.320 nan 8.290 nan 0.000 0.440 96 W N 1.733 123.069 121.300 0.060 0.000 2.863 96 W HA 0.213 4.873 4.660 0.000 0.000 0.258 96 W C 0.444 176.981 176.519 0.029 0.000 1.298 96 W CA -0.109 57.251 57.345 0.025 0.000 1.451 96 W CB 0.335 29.791 29.460 -0.008 0.000 1.107 96 W HN 0.035 nan 8.180 nan 0.000 0.641 97 K N 1.541 122.056 120.400 0.191 0.000 2.679 97 K HA 0.127 4.447 4.320 0.000 0.000 0.188 97 K C -0.893 175.754 176.600 0.078 0.000 1.055 97 K CA -0.303 56.058 56.287 0.124 0.000 1.006 97 K CB 0.209 32.779 32.500 0.117 0.000 1.317 97 K HN -0.253 nan 8.250 nan 0.000 0.584 98 N N 1.598 120.332 118.700 0.058 0.000 2.504 98 N HA 0.120 4.860 4.740 0.000 0.000 0.280 98 N C -0.023 175.495 175.510 0.012 0.000 1.052 98 N CA -0.368 52.704 53.050 0.037 0.000 0.887 98 N CB 1.429 39.943 38.487 0.045 0.000 1.323 98 N HN 0.171 nan 8.380 nan 0.000 0.509 99 D N 3.025 123.416 120.400 -0.015 0.000 2.263 99 D HA -0.084 4.557 4.640 0.000 0.000 0.208 99 D C 1.575 177.824 176.300 -0.086 0.000 0.971 99 D CA 1.057 55.030 54.000 -0.046 0.000 0.867 99 D CB 0.245 40.997 40.800 -0.081 0.000 0.929 99 D HN 0.660 nan 8.370 nan 0.000 0.492 100 M N -0.113 119.425 119.600 -0.103 0.000 2.213 100 M HA -0.130 4.350 4.480 0.000 0.000 0.263 100 M C 2.244 178.435 176.300 -0.182 0.000 1.062 100 M CA 0.785 55.967 55.300 -0.196 0.000 1.105 100 M CB -0.092 32.407 32.600 -0.168 0.000 1.385 100 M HN -0.100 nan 8.290 nan 0.000 0.417 101 V N 0.194 120.082 119.914 -0.042 0.000 2.307 101 V HA -0.228 3.892 4.120 0.000 0.000 0.245 101 V C 2.120 178.283 176.094 0.116 0.000 1.045 101 V CA 1.921 64.263 62.300 0.071 0.000 1.024 101 V CB -0.611 31.272 31.823 0.100 0.000 0.651 101 V HN 0.368 nan 8.190 nan 0.000 0.449 102 E N -0.156 120.085 120.200 0.069 0.000 2.077 102 E HA -0.248 4.103 4.350 0.000 0.000 0.193 102 E C 2.139 178.791 176.600 0.088 0.000 0.989 102 E CA 1.450 57.913 56.400 0.105 0.000 0.800 102 E CB -0.336 29.400 29.700 0.060 0.000 0.746 102 E HN 0.621 nan 8.360 nan 0.000 0.452 103 Q N 0.124 119.906 119.800 -0.031 0.000 2.020 103 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 103 Q C 2.152 178.095 176.000 -0.095 0.000 0.982 103 Q CA 1.915 57.671 55.803 -0.078 0.000 0.838 103 Q CB -0.318 28.313 28.738 -0.178 0.000 0.899 103 Q HN 0.393 nan 8.270 nan 0.000 0.423 104 M N -0.905 118.540 119.600 -0.259 0.000 2.108 104 M HA -0.252 4.228 4.480 0.000 0.000 0.261 104 M C 1.904 178.078 176.300 -0.210 0.000 1.066 104 M CA 2.238 57.359 55.300 -0.299 0.000 1.107 104 M CB -0.313 31.989 32.600 -0.497 0.000 1.356 104 M HN 0.482 nan 8.290 nan 0.000 0.406 105 H N 0.464 119.477 119.070 -0.095 0.000 2.319 105 H HA -0.153 4.403 4.556 0.000 0.000 0.299 105 H C 1.848 177.295 175.328 0.198 0.000 1.092 105 H CA 2.314 58.497 56.048 0.225 0.000 1.302 105 H CB -0.001 30.010 29.762 0.415 0.000 1.373 105 H HN 0.409 nan 8.280 nan 0.000 0.497 106 E N 0.215 120.494 120.200 0.133 0.000 2.150 106 E HA -0.126 4.224 4.350 0.000 0.000 0.193 106 E C 1.849 178.478 176.600 0.049 0.000 0.985 106 E CA 0.960 57.398 56.400 0.063 0.000 0.814 106 E CB -0.161 29.585 29.700 0.077 0.000 0.752 106 E HN 0.618 nan 8.360 nan 0.000 0.466 107 D N 0.439 120.871 120.400 0.053 0.000 2.117 107 D HA -0.111 4.529 4.640 0.000 0.000 0.198 107 D C 1.902 178.256 176.300 0.090 0.000 0.982 107 D CA 0.600 54.642 54.000 0.071 0.000 0.828 107 D CB -0.001 40.866 40.800 0.111 0.000 0.967 107 D HN 0.147 nan 8.370 nan 0.000 0.464 108 I N 0.874 121.482 120.570 0.063 0.000 2.353 108 I HA -0.121 4.049 4.170 0.000 0.000 0.248 108 I C 2.525 178.871 176.117 0.382 0.000 1.119 108 I CA 0.485 61.912 61.300 0.211 0.000 1.417 108 I CB -0.941 37.092 38.000 0.055 0.000 1.078 108 I HN 0.024 nan 8.210 nan 0.000 0.421 109 I N 0.715 121.407 120.570 0.202 0.000 2.208 109 I HA -0.302 3.868 4.170 0.000 0.000 0.245 109 I C 2.562 178.748 176.117 0.114 0.000 1.097 109 I CA 1.317 62.625 61.300 0.014 0.000 1.363 109 I CB -0.244 37.658 38.000 -0.163 0.000 1.051 109 I HN 0.144 nan 8.210 nan 0.000 0.413 110 S N 0.689 116.462 115.700 0.122 0.000 2.368 110 S HA -0.158 4.312 4.470 0.000 0.000 0.224 110 S C 1.900 176.614 174.600 0.189 0.000 1.029 110 S CA 1.051 59.324 58.200 0.123 0.000 0.988 110 S CB -0.408 62.843 63.200 0.086 0.000 0.838 110 S HN 0.289 nan 8.310 nan 0.000 0.462 111 L N 0.450 121.826 121.223 0.255 0.000 2.012 111 L HA -0.058 4.283 4.340 0.000 0.000 0.210 111 L C 1.858 178.965 176.870 0.394 0.000 1.073 111 L CA 1.719 56.736 54.840 0.295 0.000 0.748 111 L CB -0.696 41.569 42.059 0.344 0.000 0.891 111 L HN 0.354 nan 8.230 nan 0.000 0.431 112 W N 0.071 121.532 121.300 0.268 0.000 2.388 112 W HA -0.108 4.552 4.660 0.000 0.000 0.294 112 W C 2.353 178.984 176.519 0.187 0.000 1.212 112 W CA 1.225 58.742 57.345 0.287 0.000 1.271 112 W CB -0.582 29.073 29.460 0.325 0.000 1.126 112 W HN 0.203 nan 8.180 nan 0.000 0.535 113 D N -0.611 119.984 120.400 0.325 0.000 2.178 113 D HA -0.189 4.451 4.640 0.000 0.000 0.202 113 D C 2.095 178.488 176.300 0.154 0.000 0.974 113 D CA 1.591 55.705 54.000 0.189 0.000 0.841 113 D CB -0.589 40.276 40.800 0.108 0.000 0.953 113 D HN 0.445 nan 8.370 nan 0.000 0.478 114 Q N -0.566 119.325 119.800 0.152 0.000 2.402 114 Q HA 0.160 4.501 4.340 0.000 0.000 0.206 114 Q C 1.511 177.574 176.000 0.106 0.000 0.919 114 Q CA 0.639 56.507 55.803 0.108 0.000 0.923 114 Q CB 0.385 29.173 28.738 0.083 0.000 1.048 114 Q HN -0.033 nan 8.270 nan 0.000 0.515 115 S N 0.721 116.507 115.700 0.142 0.000 2.444 115 S HA 0.243 4.713 4.470 0.000 0.000 0.223 115 S C 0.636 175.318 174.600 0.136 0.000 1.054 115 S CA -0.003 58.270 58.200 0.123 0.000 0.947 115 S CB 0.309 63.607 63.200 0.164 0.000 0.850 115 S HN 0.218 nan 8.310 nan 0.000 0.527 116 L N 2.817 124.134 121.223 0.156 0.000 2.321 116 L HA 0.357 4.697 4.340 0.000 0.000 0.272 116 L C -0.736 176.333 176.870 0.332 0.000 1.050 116 L CA -0.231 54.722 54.840 0.189 0.000 0.893 116 L CB 0.699 42.771 42.059 0.021 0.000 1.272 116 L HN -0.007 nan 8.230 nan 0.000 0.435 117 K N 4.004 124.563 120.400 0.265 0.000 2.258 117 K HA 0.364 4.685 4.320 0.000 0.000 0.284 117 K C -2.374 174.315 176.600 0.147 0.000 1.051 117 K CA -1.742 54.659 56.287 0.189 0.000 0.923 117 K CB 0.895 33.459 32.500 0.108 0.000 1.046 117 K HN 0.130 nan 8.250 nan 0.000 0.474 118 P HA 0.072 nan 4.420 nan 0.000 0.275 118 P C 0.217 177.371 177.300 -0.243 0.000 1.228 118 P CA -0.493 62.296 63.100 -0.519 0.000 0.786 118 P CB 0.679 32.070 31.700 -0.514 0.000 0.927 119 c N 1.107 119.562 118.600 -0.242 0.000 2.440 119 c HA 0.034 4.604 4.570 0.000 0.000 0.278 119 c C 1.088 175.116 174.090 -0.103 0.000 1.295 119 c CA 0.409 56.674 56.329 -0.107 0.000 1.738 119 c CB -0.602 41.870 42.510 -0.063 0.000 1.987 119 c HN 0.334 nan 8.230 nan 0.000 0.492 120 V N 0.411 120.237 119.914 -0.146 0.000 2.760 120 V HA 0.426 4.546 4.120 0.000 0.000 0.309 120 V C -0.648 175.368 176.094 -0.130 0.000 1.077 120 V CA -0.677 61.559 62.300 -0.107 0.000 0.910 120 V CB 2.041 33.817 31.823 -0.078 0.000 1.008 120 V HN 0.283 nan 8.190 nan 0.000 0.424 121 K N 4.425 124.770 120.400 -0.091 0.000 2.426 121 K HA 0.734 5.054 4.320 0.000 0.000 0.254 121 K C -1.801 174.765 176.600 -0.057 0.000 0.936 121 K CA -0.631 55.608 56.287 -0.081 0.000 0.801 121 K CB 1.568 34.027 32.500 -0.068 0.000 1.139 121 K HN 0.654 nan 8.250 nan 0.000 0.424 122 L N 4.830 126.021 121.223 -0.053 0.000 2.319 122 L HA 0.532 4.872 4.340 0.000 0.000 0.281 122 L C -1.017 175.831 176.870 -0.038 0.000 1.005 122 L CA -1.047 53.768 54.840 -0.042 0.000 0.828 122 L CB 1.610 43.645 42.059 -0.040 0.000 1.227 122 L HN 0.696 nan 8.230 nan 0.000 0.415 123 c N 3.548 122.129 118.600 -0.032 0.000 2.441 123 c HA 0.530 5.100 4.570 0.000 0.000 0.318 123 c C -2.176 171.899 174.090 -0.024 0.000 1.222 123 c CA -1.468 54.843 56.329 -0.030 0.000 1.474 123 c CB 2.177 44.669 42.510 -0.030 0.000 2.125 123 c HN 0.495 nan 8.230 nan 0.000 0.479 124 P HA 0.355 nan 4.420 nan 0.000 0.272 124 P C -1.114 176.177 177.300 -0.015 0.000 1.223 124 P CA -0.119 62.970 63.100 -0.018 0.000 0.784 124 P CB 0.936 32.626 31.700 -0.017 0.000 0.923 125 L N 3.341 124.557 121.223 -0.012 0.000 2.555 125 L HA 0.378 4.719 4.340 0.000 0.000 0.264 125 L C -1.146 175.719 176.870 -0.008 0.000 0.972 125 L CA -0.323 54.512 54.840 -0.009 0.000 0.876 125 L CB 0.591 42.644 42.059 -0.009 0.000 1.216 125 L HN 0.421 nan 8.230 nan 0.000 0.415 126 c N 1.816 120.412 118.600 -0.007 0.000 2.967 126 c HA 0.940 5.510 4.570 0.000 0.000 0.372 126 c C -0.096 173.991 174.090 -0.004 0.000 1.455 126 c CA -0.839 55.486 56.329 -0.006 0.000 1.638 126 c CB 1.974 44.480 42.510 -0.006 0.000 2.096 126 c HN 0.837 nan 8.230 nan 0.000 0.466 127 V N 0.319 120.230 119.914 -0.004 0.000 3.465 127 V HA 0.296 4.417 4.120 0.000 0.000 0.497 127 V C 0.004 176.097 176.094 -0.002 0.000 0.682 127 V CA 1.087 63.386 62.300 -0.003 0.000 2.045 127 V CB -1.179 30.643 31.823 -0.002 0.000 2.481 127 V HN 2.527 nan 8.190 nan 0.000 0.506 128 G N 1.761 110.560 108.800 -0.002 0.000 3.019 128 G HA2 0.533 4.493 3.960 0.000 0.000 0.686 128 G HA3 0.533 4.493 3.960 0.000 0.000 0.686 128 G C 0.531 175.429 174.900 -0.002 0.000 1.056 128 G CA 0.593 45.692 45.100 -0.002 0.000 0.774 128 G HN 3.250 nan 8.290 nan 0.000 0.583 195 S N 0.046 115.743 115.700 -0.005 0.000 2.589 195 S HA 0.469 4.939 4.470 0.000 0.000 0.265 195 S C 0.248 174.844 174.600 -0.006 0.000 1.342 195 S CA -0.048 58.149 58.200 -0.006 0.000 1.005 195 S CB 1.183 64.380 63.200 -0.006 0.000 0.909 195 S HN 0.567 nan 8.310 nan 0.000 0.555 196 c N 2.106 120.701 118.600 -0.007 0.000 2.325 196 c HA 0.640 5.210 4.570 0.000 0.000 0.370 196 c C 0.652 174.737 174.090 -0.009 0.000 1.217 196 c CA -0.648 55.676 56.329 -0.008 0.000 2.254 196 c CB 0.741 43.246 42.510 -0.009 0.000 2.282 196 c HN 0.864 nan 8.230 nan 0.000 0.564 197 N N -0.527 118.167 118.700 -0.009 0.000 2.455 197 N HA 0.535 5.275 4.740 0.000 0.000 0.278 197 N C -1.641 173.862 175.510 -0.012 0.000 1.291 197 N CA -0.125 52.919 53.050 -0.010 0.000 0.780 197 N CB 2.367 40.849 38.487 -0.009 0.000 1.520 197 N HN 0.647 nan 8.380 nan 0.000 0.486 198 T N 0.410 114.956 114.554 -0.014 0.000 2.809 198 T HA 0.252 4.602 4.350 0.000 0.000 0.284 198 T C -0.345 174.346 174.700 -0.016 0.000 0.992 198 T CA -0.415 61.675 62.100 -0.016 0.000 0.957 198 T CB 0.870 69.727 68.868 -0.018 0.000 0.942 198 T HN 0.388 nan 8.240 nan 0.000 0.439 199 S N 3.148 118.838 115.700 -0.017 0.000 2.474 199 S HA 0.467 4.938 4.470 0.000 0.000 0.276 199 S C -0.234 174.353 174.600 -0.022 0.000 1.227 199 S CA -0.505 57.684 58.200 -0.017 0.000 1.050 199 S CB -0.010 63.180 63.200 -0.017 0.000 0.939 199 S HN 0.482 nan 8.310 nan 0.000 0.490 200 V N 6.802 126.703 119.914 -0.021 0.000 2.444 200 V HA 0.546 4.666 4.120 0.000 0.000 0.294 200 V C -0.644 175.435 176.094 -0.024 0.000 1.022 200 V CA -0.702 61.583 62.300 -0.025 0.000 0.850 200 V CB 1.306 33.115 31.823 -0.023 0.000 0.992 200 V HN 0.820 nan 8.190 nan 0.000 0.426 201 I N 3.754 124.307 120.570 -0.029 0.000 2.406 201 I HA 0.554 4.724 4.170 0.000 0.000 0.290 201 I C 0.265 176.362 176.117 -0.033 0.000 0.999 201 I CA 0.281 61.565 61.300 -0.026 0.000 1.124 201 I CB 2.310 40.296 38.000 -0.023 0.000 1.289 201 I HN 0.572 nan 8.210 nan 0.000 0.441 202 T N 6.750 121.289 114.554 -0.026 0.000 2.807 202 T HA 0.723 5.073 4.350 0.000 0.000 0.279 202 T C -0.785 173.904 174.700 -0.019 0.000 0.993 202 T CA -0.748 61.335 62.100 -0.028 0.000 0.970 202 T CB 1.294 70.149 68.868 -0.023 0.000 0.950 202 T HN 0.643 nan 8.240 nan 0.000 0.441 203 Q N 1.036 120.823 119.800 -0.020 0.000 2.575 203 Q HA 0.747 5.087 4.340 0.000 0.000 0.290 203 Q C -1.222 174.778 176.000 -0.001 0.000 0.963 203 Q CA -1.479 54.320 55.803 -0.007 0.000 0.783 203 Q CB 1.456 30.193 28.738 -0.002 0.000 1.467 203 Q HN 0.664 nan 8.270 nan 0.000 0.402 204 A N 0.602 123.428 122.820 0.009 0.000 2.540 204 A HA 0.345 4.665 4.320 0.000 0.000 0.239 204 A C 0.394 177.996 177.584 0.031 0.000 1.061 204 A CA 0.167 52.215 52.037 0.018 0.000 0.758 204 A CB -0.601 18.411 19.000 0.020 0.000 0.991 204 A HN 0.928 nan 8.150 nan 0.000 0.502 205 c N 2.123 120.748 118.600 0.042 0.000 2.816 205 c HA 0.597 5.167 4.570 0.000 0.000 0.255 205 c C -2.557 171.589 174.090 0.094 0.000 1.141 205 c CA -2.299 54.076 56.329 0.076 0.000 1.554 205 c CB -0.665 41.887 42.510 0.070 0.000 1.778 205 c HN 0.680 nan 8.230 nan 0.000 0.429 206 P HA 0.180 nan 4.420 nan 0.000 0.271 206 P C -0.206 177.143 177.300 0.080 0.000 1.216 206 P CA 0.516 63.656 63.100 0.067 0.000 0.771 206 P CB 0.687 32.418 31.700 0.050 0.000 0.864 207 K N 2.319 122.758 120.400 0.064 0.000 2.378 207 K HA 0.263 4.583 4.320 0.000 0.000 0.288 207 K C 0.049 176.669 176.600 0.034 0.000 1.057 207 K CA -0.165 56.155 56.287 0.055 0.000 0.971 207 K CB 0.143 32.669 32.500 0.043 0.000 0.975 207 K HN 0.364 nan 8.250 nan 0.000 0.475 208 V N -0.878 119.052 119.914 0.027 0.000 2.823 208 V HA 0.513 4.633 4.120 0.000 0.000 0.312 208 V C 0.035 176.127 176.094 -0.003 0.000 1.072 208 V CA -1.113 61.193 62.300 0.010 0.000 0.937 208 V CB 1.995 33.828 31.823 0.018 0.000 1.013 208 V HN 0.644 nan 8.190 nan 0.000 0.430 209 S N 3.490 119.179 115.700 -0.019 0.000 2.409 209 S HA 0.517 4.987 4.470 0.000 0.000 0.308 209 S C -0.664 173.914 174.600 -0.036 0.000 1.080 209 S CA -0.298 57.888 58.200 -0.023 0.000 1.081 209 S CB -0.176 63.006 63.200 -0.031 0.000 1.009 209 S HN 0.816 nan 8.310 nan 0.000 0.502 210 F N 2.806 122.646 119.950 -0.183 0.000 2.472 210 F HA 0.398 4.925 4.527 0.000 0.000 0.364 210 F C 0.559 176.262 175.800 -0.161 0.000 1.090 210 F CA 0.042 57.909 58.000 -0.222 0.000 1.188 210 F CB 0.721 39.505 39.000 -0.361 0.000 1.105 210 F HN 0.728 nan 8.300 nan 0.000 0.536 211 E N 7.643 127.621 120.200 -0.371 0.000 2.502 211 E HA 0.385 4.735 4.350 0.000 0.000 0.261 211 E C -2.718 173.729 176.600 -0.256 0.000 0.974 211 E CA -2.258 54.023 56.400 -0.198 0.000 0.795 211 E CB 0.661 30.274 29.700 -0.145 0.000 1.385 211 E HN 0.209 nan 8.360 nan 0.000 0.400 212 P HA 0.069 nan 4.420 nan 0.000 0.262 212 P C -0.796 176.457 177.300 -0.079 0.000 1.182 212 P CA -0.022 63.036 63.100 -0.069 0.000 0.761 212 P CB 0.335 32.099 31.700 0.106 0.000 0.795 213 I N 6.227 126.738 120.570 -0.099 0.000 2.460 213 I HA 0.342 4.512 4.170 0.000 0.000 0.298 213 I C -2.107 173.962 176.117 -0.079 0.000 0.989 213 I CA -2.777 58.472 61.300 -0.084 0.000 1.173 213 I CB 1.090 39.031 38.000 -0.098 0.000 1.338 213 I HN 0.259 nan 8.210 nan 0.000 0.456 214 P HA 0.213 nan 4.420 nan 0.000 0.265 214 P C -0.772 176.392 177.300 -0.227 0.000 1.193 214 P CA 0.186 63.193 63.100 -0.155 0.000 0.765 214 P CB 0.326 31.929 31.700 -0.161 0.000 0.823 215 I N 3.450 123.836 120.570 -0.306 0.000 2.404 215 I HA 0.263 4.433 4.170 0.000 0.000 0.293 215 I C 0.510 176.311 176.117 -0.527 0.000 0.992 215 I CA -0.710 60.373 61.300 -0.362 0.000 1.149 215 I CB 1.062 38.854 38.000 -0.347 0.000 1.315 215 I HN 0.312 nan 8.210 nan 0.000 0.446 216 H N 6.123 124.994 119.070 -0.331 0.000 2.476 216 H HA 0.302 4.859 4.556 0.000 0.000 0.328 216 H C -1.362 173.718 175.328 -0.412 0.000 1.073 216 H CA -0.433 55.444 56.048 -0.284 0.000 1.229 216 H CB 1.371 31.027 29.762 -0.177 0.000 1.432 216 H HN 0.425 nan 8.280 nan 0.000 0.477 217 Y N 1.828 122.063 120.300 -0.108 0.000 2.353 217 Y HA 0.175 4.725 4.550 0.000 0.000 0.340 217 Y C 0.403 176.240 175.900 -0.104 0.000 0.972 217 Y CA -0.320 57.707 58.100 -0.122 0.000 1.157 217 Y CB 0.863 39.215 38.460 -0.181 0.000 1.157 217 Y HN 0.539 nan 8.280 nan 0.000 0.495 218 c N 1.701 120.334 118.600 0.055 0.000 2.345 218 c HA 0.796 5.366 4.570 0.000 0.000 0.370 218 c C 0.588 174.711 174.090 0.054 0.000 1.209 218 c CA -1.299 55.051 56.329 0.034 0.000 2.133 218 c CB 0.844 43.358 42.510 0.007 0.000 2.293 218 c HN 0.910 nan 8.230 nan 0.000 0.544 219 A N 2.284 125.136 122.820 0.054 0.000 2.546 219 A HA 0.438 4.758 4.320 0.000 0.000 0.243 219 A C -2.142 175.493 177.584 0.085 0.000 1.063 219 A CA -0.192 51.891 52.037 0.078 0.000 0.757 219 A CB -0.810 18.245 19.000 0.092 0.000 0.991 219 A HN 0.747 nan 8.150 nan 0.000 0.503 220 P HA 0.411 nan 4.420 nan 0.000 0.278 220 P C -0.123 177.301 177.300 0.207 0.000 1.238 220 P CA -0.225 62.932 63.100 0.095 0.000 0.794 220 P CB 0.787 32.475 31.700 -0.020 0.000 0.955 221 A N 1.968 124.888 122.820 0.165 0.000 2.573 221 A HA 0.361 4.681 4.320 0.000 0.000 0.250 221 A C 1.503 179.224 177.584 0.228 0.000 1.049 221 A CA 0.938 53.068 52.037 0.154 0.000 0.767 221 A CB -1.637 17.424 19.000 0.102 0.000 0.965 221 A HN 0.962 nan 8.150 nan 0.000 0.514 222 G N 0.988 109.850 108.800 0.104 0.000 2.175 222 G HA2 -0.206 3.754 3.960 0.000 0.000 0.244 222 G HA3 -0.206 3.754 3.960 0.000 0.000 0.244 222 G C -0.071 174.643 174.900 -0.310 0.000 0.982 222 G CA 0.399 45.443 45.100 -0.094 0.000 0.641 222 G HN 0.818 nan 8.290 nan 0.000 0.527 223 F N 0.549 120.503 119.950 0.008 0.000 2.618 223 F HA 0.860 5.387 4.527 0.000 0.000 0.332 223 F C 0.431 176.237 175.800 0.011 0.000 1.061 223 F CA -0.443 57.561 58.000 0.007 0.000 0.974 223 F CB 2.075 41.080 39.000 0.008 0.000 1.310 223 F HN 0.372 nan 8.300 nan 0.000 0.491 224 A N 1.122 124.072 122.820 0.216 0.000 2.413 224 A HA 0.835 5.156 4.320 0.000 0.000 0.307 224 A C -1.217 176.448 177.584 0.135 0.000 1.087 224 A CA -0.651 51.466 52.037 0.133 0.000 0.750 224 A CB 1.023 20.070 19.000 0.079 0.000 1.296 224 A HN 0.659 nan 8.150 nan 0.000 0.423 225 I N 2.218 122.856 120.570 0.114 0.000 2.321 225 I HA 0.295 4.465 4.170 0.000 0.000 0.291 225 I C -0.616 175.596 176.117 0.158 0.000 0.998 225 I CA -0.169 61.208 61.300 0.128 0.000 1.227 225 I CB 1.090 39.156 38.000 0.110 0.000 1.368 225 I HN 0.454 nan 8.210 nan 0.000 0.466 226 L N 6.747 128.075 121.223 0.176 0.000 2.322 226 L HA 0.554 4.894 4.340 0.000 0.000 0.279 226 L C -0.152 176.928 176.870 0.350 0.000 1.036 226 L CA -0.750 54.213 54.840 0.204 0.000 0.807 226 L CB 1.609 43.734 42.059 0.109 0.000 1.226 226 L HN 0.542 nan 8.230 nan 0.000 0.433 227 K N 1.908 122.467 120.400 0.264 0.000 2.426 227 K HA 0.329 4.649 4.320 0.000 0.000 0.254 227 K C -1.369 175.177 176.600 -0.089 0.000 0.936 227 K CA -0.540 55.792 56.287 0.077 0.000 0.801 227 K CB 2.118 34.641 32.500 0.039 0.000 1.139 227 K HN 0.692 nan 8.250 nan 0.000 0.424 228 c N 4.685 123.008 118.600 -0.461 0.000 2.499 228 c HA 0.300 4.870 4.570 0.000 0.000 0.386 228 c C 0.992 174.821 174.090 -0.435 0.000 1.293 228 c CA -0.483 55.443 56.329 -0.672 0.000 1.884 228 c CB -0.787 40.867 42.510 -1.426 0.000 2.509 228 c HN 0.871 nan 8.230 nan 0.000 0.566 229 N N 3.082 121.605 118.700 -0.295 0.000 2.373 229 N HA -0.013 4.727 4.740 0.000 0.000 0.181 229 N C 0.230 175.647 175.510 -0.155 0.000 1.082 229 N CA 0.277 53.216 53.050 -0.185 0.000 0.885 229 N CB -0.320 38.098 38.487 -0.115 0.000 0.977 229 N HN 0.760 nan 8.380 nan 0.000 0.462 230 N N 2.443 121.023 118.700 -0.199 0.000 2.417 230 N HA -0.049 4.691 4.740 0.000 0.000 0.272 230 N C 0.776 176.271 175.510 -0.025 0.000 1.304 230 N CA 0.376 53.361 53.050 -0.109 0.000 0.906 230 N CB 0.525 38.934 38.487 -0.130 0.000 1.135 230 N HN 0.056 nan 8.380 nan 0.000 0.483 231 K N 1.466 121.860 120.400 -0.010 0.000 2.152 231 K HA -0.062 4.259 4.320 0.000 0.000 0.206 231 K C 0.040 176.669 176.600 0.049 0.000 1.048 231 K CA 1.061 57.355 56.287 0.012 0.000 0.933 231 K CB 0.122 32.620 32.500 -0.003 0.000 0.721 231 K HN 0.470 nan 8.250 nan 0.000 0.447 232 T N 1.197 115.787 114.554 0.060 0.000 2.963 232 T HA 0.295 4.645 4.350 0.000 0.000 0.343 232 T C -1.421 173.373 174.700 0.157 0.000 1.146 232 T CA -0.456 61.687 62.100 0.071 0.000 1.016 232 T CB 0.182 69.067 68.868 0.029 0.000 1.046 232 T HN -0.026 nan 8.240 nan 0.000 0.496 233 F N 4.224 124.163 119.950 -0.018 0.000 2.529 233 F HA 0.427 4.955 4.527 0.000 0.000 0.320 233 F C 0.656 176.443 175.800 -0.023 0.000 1.118 233 F CA -1.807 56.184 58.000 -0.015 0.000 0.915 233 F CB 1.570 40.552 39.000 -0.031 0.000 1.161 233 F HN 0.387 nan 8.300 nan 0.000 0.445 234 N N 2.730 121.076 118.700 -0.590 0.000 2.461 234 N HA 0.191 4.932 4.740 0.000 0.000 0.188 234 N C 1.316 176.432 175.510 -0.656 0.000 1.134 234 N CA 0.788 53.553 53.050 -0.476 0.000 0.878 234 N CB 0.159 38.527 38.487 -0.198 0.000 0.972 234 N HN 1.041 nan 8.380 nan 0.000 0.456 235 G N -1.588 106.359 108.800 -1.422 0.000 2.225 235 G HA2 -0.240 3.720 3.960 0.000 0.000 0.254 235 G HA3 -0.240 3.720 3.960 0.000 0.000 0.254 235 G C -0.120 174.577 174.900 -0.339 0.000 0.988 235 G CA 0.574 45.225 45.100 -0.748 0.000 0.625 235 G HN 0.509 nan 8.290 nan 0.000 0.527 236 T N 0.638 115.008 114.554 -0.306 0.000 2.963 236 T HA 0.731 5.082 4.350 0.000 0.000 0.328 236 T C 0.357 175.130 174.700 0.121 0.000 1.048 236 T CA 0.566 62.706 62.100 0.067 0.000 1.033 236 T CB 1.255 70.236 68.868 0.188 0.000 1.010 236 T HN 1.975 nan 8.240 nan 0.000 0.469 237 G N 4.083 113.058 108.800 0.292 0.000 2.357 237 G HA2 0.290 4.250 3.960 0.000 0.000 0.289 237 G HA3 0.290 4.250 3.960 0.000 0.000 0.289 237 G C -3.372 171.777 174.900 0.416 0.000 1.302 237 G CA -1.054 44.225 45.100 0.299 0.000 0.936 237 G HN 0.413 nan 8.290 nan 0.000 0.513 238 P HA 0.416 nan 4.420 nan 0.000 0.276 238 P C -0.288 177.125 177.300 0.189 0.000 1.230 238 P CA -0.030 63.207 63.100 0.228 0.000 0.776 238 P CB 1.390 33.175 31.700 0.141 0.000 0.888 239 c N 4.012 122.667 118.600 0.092 0.000 2.298 239 c HA 0.365 4.935 4.570 0.000 0.000 0.323 239 c C 1.944 175.997 174.090 -0.063 0.000 1.284 239 c CA 0.139 56.361 56.329 -0.178 0.000 1.577 239 c CB -0.288 41.938 42.510 -0.473 0.000 2.249 239 c HN 0.757 nan 8.230 nan 0.000 0.497 240 T N 1.140 115.650 114.554 -0.074 0.000 3.054 240 T HA 0.054 4.404 4.350 0.000 0.000 0.259 240 T C 0.545 175.218 174.700 -0.045 0.000 1.092 240 T CA 0.622 62.703 62.100 -0.032 0.000 1.121 240 T CB -0.244 68.615 68.868 -0.016 0.000 0.912 240 T HN 0.643 nan 8.240 nan 0.000 0.489 241 N N 1.338 119.985 118.700 -0.089 0.000 2.706 241 N HA 0.409 5.149 4.740 0.000 0.000 0.240 241 N C -1.575 173.876 175.510 -0.098 0.000 1.039 241 N CA -0.515 52.487 53.050 -0.079 0.000 0.888 241 N CB 1.395 39.833 38.487 -0.083 0.000 1.128 241 N HN 0.240 nan 8.380 nan 0.000 0.512 242 V N 2.293 122.183 119.914 -0.039 0.000 2.680 242 V HA 0.838 4.958 4.120 0.000 0.000 0.309 242 V C -0.542 175.564 176.094 0.020 0.000 1.052 242 V CA -0.392 61.908 62.300 -0.000 0.000 0.908 242 V CB 1.805 33.688 31.823 0.100 0.000 1.001 242 V HN 0.686 nan 8.190 nan 0.000 0.431 243 S N 3.394 119.114 115.700 0.034 0.000 2.667 243 S HA 0.700 5.170 4.470 0.000 0.000 0.292 243 S C -0.492 174.153 174.600 0.075 0.000 1.126 243 S CA -0.726 57.499 58.200 0.042 0.000 0.881 243 S CB 1.932 65.148 63.200 0.027 0.000 1.132 243 S HN 0.805 nan 8.310 nan 0.000 0.492 244 T N 1.668 116.262 114.554 0.067 0.000 2.837 244 T HA 0.653 5.004 4.350 0.000 0.000 0.285 244 T C -0.069 174.682 174.700 0.086 0.000 0.984 244 T CA -0.514 61.634 62.100 0.081 0.000 1.049 244 T CB 0.940 69.844 68.868 0.059 0.000 0.947 244 T HN 1.100 nan 8.240 nan 0.000 0.472 245 V N 1.856 121.837 119.914 0.111 0.000 2.914 245 V HA 0.509 4.629 4.120 0.000 0.000 0.314 245 V C 0.798 176.943 176.094 0.085 0.000 1.084 245 V CA -0.890 61.475 62.300 0.109 0.000 0.963 245 V CB 2.149 34.072 31.823 0.167 0.000 1.025 245 V HN 0.660 nan 8.190 nan 0.000 0.432 246 Q N 0.758 120.595 119.800 0.062 0.000 2.079 246 Q HA 0.091 4.431 4.340 0.000 0.000 0.200 246 Q C 0.330 176.351 176.000 0.035 0.000 0.974 246 Q CA 1.562 57.389 55.803 0.041 0.000 0.840 246 Q CB 0.180 28.931 28.738 0.022 0.000 0.898 246 Q HN 0.929 nan 8.270 nan 0.000 0.430 247 c N -0.464 118.158 118.600 0.037 0.000 3.171 247 c HA 0.404 4.974 4.570 0.000 0.000 0.308 247 c C 0.521 174.609 174.090 -0.004 0.000 1.334 247 c CA -1.183 55.155 56.329 0.014 0.000 1.473 247 c CB 1.229 43.748 42.510 0.016 0.000 1.866 247 c HN 0.469 nan 8.230 nan 0.000 0.465 248 T N -0.518 113.944 114.554 -0.154 0.000 2.748 248 T HA 0.252 4.603 4.350 0.000 0.000 0.304 248 T C 0.387 175.095 174.700 0.015 0.000 1.041 248 T CA 0.089 61.969 62.100 -0.366 0.000 1.033 248 T CB 0.178 68.635 68.868 -0.685 0.000 0.995 248 T HN 0.893 nan 8.240 nan 0.000 0.536 249 H N -0.296 118.837 119.070 0.106 0.000 2.730 249 H HA 0.305 4.861 4.556 0.000 0.000 0.376 249 H C 0.763 176.068 175.328 -0.038 0.000 1.299 249 H CA -0.480 55.650 56.048 0.136 0.000 1.447 249 H CB -0.399 29.454 29.762 0.153 0.000 1.493 249 H HN 0.925 nan 8.280 nan 0.000 0.619 250 G N 0.842 109.531 108.800 -0.185 0.000 2.356 250 G HA2 0.398 4.358 3.960 0.000 0.000 0.273 250 G HA3 0.398 4.358 3.960 0.000 0.000 0.273 250 G C -0.215 174.465 174.900 -0.366 0.000 1.213 250 G CA -0.572 44.136 45.100 -0.653 0.000 0.955 250 G HN 0.593 nan 8.290 nan 0.000 0.454 251 I N 2.692 123.015 120.570 -0.412 0.000 2.355 251 I HA 0.277 4.447 4.170 0.000 0.000 0.288 251 I C 0.528 176.587 176.117 -0.097 0.000 0.999 251 I CA -0.661 60.521 61.300 -0.196 0.000 1.163 251 I CB 1.695 39.588 38.000 -0.177 0.000 1.316 251 I HN 0.324 nan 8.210 nan 0.000 0.454 252 R N 7.447 127.946 120.500 -0.002 0.000 2.296 252 R HA 0.220 4.560 4.340 0.000 0.000 0.323 252 R C -2.070 174.297 176.300 0.112 0.000 1.067 252 R CA -1.391 54.730 56.100 0.035 0.000 0.946 252 R CB 0.469 30.801 30.300 0.053 0.000 0.991 252 R HN 0.335 nan 8.270 nan 0.000 0.448 253 P HA 0.046 nan 4.420 nan 0.000 0.230 253 P C -0.403 177.127 177.300 0.384 0.000 1.791 253 P CA -0.082 63.103 63.100 0.142 0.000 1.020 253 P CB 0.186 31.864 31.700 -0.038 0.000 1.977 254 V N 2.752 122.895 119.914 0.382 0.000 2.470 254 V HA 0.044 4.164 4.120 0.000 0.000 0.276 254 V C 0.884 177.099 176.094 0.202 0.000 1.040 254 V CA -0.285 62.182 62.300 0.279 0.000 1.008 254 V CB 1.373 33.293 31.823 0.162 0.000 0.990 254 V HN 0.113 nan 8.190 nan 0.000 0.477 255 V N 6.142 126.114 119.914 0.096 0.000 2.406 255 V HA 0.647 4.768 4.120 0.000 0.000 0.272 255 V C 0.279 176.229 176.094 -0.240 0.000 1.043 255 V CA 0.259 62.396 62.300 -0.272 0.000 0.915 255 V CB 1.097 32.496 31.823 -0.708 0.000 0.988 255 V HN 1.133 nan 8.190 nan 0.000 0.466 256 S N 3.169 118.760 115.700 -0.181 0.000 2.587 256 S HA 0.706 5.177 4.470 0.000 0.000 0.269 256 S C -0.625 174.051 174.600 0.127 0.000 1.154 256 S CA -0.408 57.786 58.200 -0.009 0.000 0.824 256 S CB 1.938 65.192 63.200 0.090 0.000 1.118 256 S HN 0.974 nan 8.310 nan 0.000 0.462 257 S N 0.193 116.073 115.700 0.300 0.000 2.681 257 S HA 0.706 5.176 4.470 0.000 0.000 0.299 257 S C 0.516 175.298 174.600 0.304 0.000 1.113 257 S CA 0.046 58.406 58.200 0.266 0.000 1.013 257 S CB 1.188 64.562 63.200 0.289 0.000 1.076 257 S HN 1.084 nan 8.310 nan 0.000 0.534 258 Q N -0.979 118.930 119.800 0.182 0.000 2.540 258 Q HA -0.248 4.092 4.340 0.000 0.000 0.186 258 Q C -0.523 175.550 176.000 0.122 0.000 2.876 258 Q CA 1.926 57.816 55.803 0.145 0.000 0.213 258 Q CB -1.528 27.331 28.738 0.203 0.000 0.199 258 Q HN 0.785 nan 8.270 nan 0.000 0.403 259 L N 1.803 123.070 121.223 0.074 0.000 2.317 259 L HA 0.543 4.883 4.340 0.000 0.000 0.281 259 L C -0.175 176.715 176.870 0.032 0.000 1.024 259 L CA -0.596 54.229 54.840 -0.025 0.000 0.810 259 L CB 1.151 42.993 42.059 -0.362 0.000 1.240 259 L HN 0.107 nan 8.230 nan 0.000 0.427 260 L N 4.664 125.909 121.223 0.037 0.000 2.276 260 L HA 0.502 4.842 4.340 0.000 0.000 0.286 260 L C -0.450 176.435 176.870 0.025 0.000 1.061 260 L CA -0.269 54.594 54.840 0.037 0.000 0.807 260 L CB 1.013 43.098 42.059 0.043 0.000 1.177 260 L HN 0.428 nan 8.230 nan 0.000 0.429 261 L N 3.789 125.027 121.223 0.024 0.000 2.334 261 L HA 0.496 4.836 4.340 0.000 0.000 0.273 261 L C 0.245 177.130 176.870 0.026 0.000 1.013 261 L CA -0.901 53.938 54.840 -0.002 0.000 0.816 261 L CB 1.429 43.461 42.059 -0.045 0.000 1.278 261 L HN 0.597 nan 8.230 nan 0.000 0.431 262 N N 0.632 119.341 118.700 0.015 0.000 2.725 262 N HA -0.159 4.581 4.740 0.000 0.000 0.249 262 N C 0.021 175.569 175.510 0.063 0.000 1.103 262 N CA 1.044 54.112 53.050 0.030 0.000 0.707 262 N CB -1.131 37.371 38.487 0.025 0.000 1.043 262 N HN 0.987 nan 8.380 nan 0.000 0.553 263 G N -1.467 107.377 108.800 0.073 0.000 2.702 263 G HA2 0.626 4.586 3.960 0.000 0.000 0.254 263 G HA3 0.626 4.586 3.960 0.000 0.000 0.254 263 G C -0.353 174.606 174.900 0.098 0.000 1.380 263 G CA -0.246 44.919 45.100 0.110 0.000 1.042 263 G HN 0.136 nan 8.290 nan 0.000 0.557 264 S N -0.596 115.176 115.700 0.119 0.000 2.554 264 S HA 0.492 4.962 4.470 0.000 0.000 0.278 264 S C -0.052 174.583 174.600 0.058 0.000 1.242 264 S CA -0.380 57.865 58.200 0.075 0.000 1.051 264 S CB 1.153 64.383 63.200 0.050 0.000 0.986 264 S HN 0.359 nan 8.310 nan 0.000 0.502 265 L N 2.134 123.374 121.223 0.029 0.000 2.379 265 L HA 0.550 4.890 4.340 0.000 0.000 0.269 265 L C 0.728 177.607 176.870 0.015 0.000 1.084 265 L CA -0.834 54.016 54.840 0.017 0.000 0.802 265 L CB 0.576 42.638 42.059 0.005 0.000 1.175 265 L HN 0.711 nan 8.230 nan 0.000 0.448 266 A N 1.574 124.396 122.820 0.004 0.000 2.498 266 A HA 0.093 4.414 4.320 0.000 0.000 0.239 266 A C 0.910 178.492 177.584 -0.004 0.000 1.068 266 A CA -0.081 51.956 52.037 0.001 0.000 0.766 266 A CB 0.139 19.125 19.000 -0.023 0.000 1.003 266 A HN 0.932 nan 8.150 nan 0.000 0.497 267 E N 1.035 121.236 120.200 0.001 0.000 2.158 267 E HA -0.098 4.252 4.350 0.000 0.000 0.191 267 E C 1.023 177.617 176.600 -0.010 0.000 0.982 267 E CA 1.317 57.713 56.400 -0.006 0.000 0.823 267 E CB 0.236 29.931 29.700 -0.007 0.000 0.766 267 E HN 0.870 nan 8.360 nan 0.000 0.468 268 E N 0.365 120.558 120.200 -0.011 0.000 3.271 268 E HA 0.142 4.492 4.350 0.000 0.000 0.331 268 E C 0.209 176.795 176.600 -0.023 0.000 0.732 268 E CA -0.295 56.096 56.400 -0.015 0.000 1.395 268 E CB 0.355 30.048 29.700 -0.012 0.000 2.445 268 E HN -0.007 nan 8.360 nan 0.000 0.544 269 E N 0.972 121.155 120.200 -0.028 0.000 2.254 269 E HA 0.302 4.652 4.350 0.000 0.000 0.261 269 E C -0.644 175.928 176.600 -0.046 0.000 1.051 269 E CA -0.605 55.772 56.400 -0.039 0.000 0.902 269 E CB 1.713 31.388 29.700 -0.041 0.000 1.168 269 E HN -0.053 nan 8.360 nan 0.000 0.423 270 V N 1.635 121.514 119.914 -0.059 0.000 2.694 270 V HA -0.016 4.104 4.120 0.000 0.000 0.306 270 V C -0.005 176.051 176.094 -0.063 0.000 1.054 270 V CA 0.314 62.574 62.300 -0.066 0.000 1.161 270 V CB 0.511 32.282 31.823 -0.086 0.000 0.916 270 V HN 0.305 nan 8.190 nan 0.000 0.490 271 V N 6.163 126.038 119.914 -0.065 0.000 2.604 271 V HA 0.560 4.680 4.120 0.000 0.000 0.305 271 V C -0.169 175.901 176.094 -0.039 0.000 1.043 271 V CA -0.578 61.682 62.300 -0.067 0.000 0.888 271 V CB 1.727 33.484 31.823 -0.109 0.000 0.995 271 V HN 0.784 nan 8.190 nan 0.000 0.429 272 I N 2.024 122.602 120.570 0.014 0.000 2.493 272 I HA 0.819 4.989 4.170 0.000 0.000 0.298 272 I C -0.452 175.818 176.117 0.255 0.000 0.998 272 I CA -0.737 60.644 61.300 0.134 0.000 1.137 272 I CB 1.855 39.964 38.000 0.182 0.000 1.310 272 I HN 0.513 nan 8.210 nan 0.000 0.445 273 R N 3.509 124.147 120.500 0.230 0.000 2.621 273 R HA 0.715 5.056 4.340 0.000 0.000 0.284 273 R C -1.160 175.162 176.300 0.036 0.000 0.998 273 R CA -0.790 55.416 56.100 0.177 0.000 0.895 273 R CB 2.311 32.656 30.300 0.075 0.000 1.195 273 R HN 0.842 nan 8.270 nan 0.000 0.450 274 S N 0.595 116.076 115.700 -0.365 0.000 2.550 274 S HA 0.158 4.628 4.470 0.000 0.000 0.270 274 S C 0.009 174.015 174.600 -0.989 0.000 1.145 274 S CA -0.689 57.025 58.200 -0.809 0.000 0.852 274 S CB 2.152 64.532 63.200 -1.367 0.000 1.119 274 S HN 0.361 nan 8.310 nan 0.000 0.465 275 V N 2.395 121.317 119.914 -1.654 0.000 2.809 275 V HA 0.297 4.417 4.120 0.000 0.000 0.256 275 V C 0.165 175.875 176.094 -0.639 0.000 1.080 275 V CA 1.829 63.283 62.300 -1.409 0.000 1.102 275 V CB -0.647 30.352 31.823 -1.372 0.000 0.705 275 V HN 0.790 nan 8.190 nan 0.000 0.475 276 N N -1.258 117.101 118.700 -0.568 0.000 3.112 276 N HA 0.135 4.875 4.740 0.000 0.000 0.231 276 N C -0.164 175.228 175.510 -0.195 0.000 1.385 276 N CA -0.433 52.446 53.050 -0.286 0.000 0.790 276 N CB -0.118 38.247 38.487 -0.202 0.000 1.563 276 N HN 0.092 nan 8.380 nan 0.000 0.613 277 F N 0.576 120.482 119.950 -0.073 0.000 2.269 277 F HA -0.109 4.418 4.527 0.000 0.000 0.301 277 F C 2.119 178.015 175.800 0.161 0.000 1.082 277 F CA 1.328 59.347 58.000 0.031 0.000 1.360 277 F CB 0.284 39.183 39.000 -0.168 0.000 1.041 277 F HN 0.368 nan 8.300 nan 0.000 0.512 278 T N -1.999 112.693 114.554 0.230 0.000 3.055 278 T HA -0.126 4.224 4.350 0.000 0.000 0.265 278 T C 0.547 175.314 174.700 0.112 0.000 1.111 278 T CA 0.578 62.790 62.100 0.187 0.000 1.118 278 T CB -0.266 68.660 68.868 0.096 0.000 0.909 278 T HN -0.011 nan 8.240 nan 0.000 0.501 279 D N 2.455 122.888 120.400 0.055 0.000 2.365 279 D HA 0.084 4.724 4.640 0.000 0.000 0.237 279 D C 1.003 177.304 176.300 0.002 0.000 1.190 279 D CA -0.508 53.492 54.000 -0.000 0.000 0.867 279 D CB 0.456 41.222 40.800 -0.056 0.000 1.050 279 D HN 0.111 nan 8.370 nan 0.000 0.491 280 N N 3.523 122.218 118.700 -0.008 0.000 2.364 280 N HA -0.177 4.563 4.740 0.000 0.000 0.183 280 N C 1.247 176.732 175.510 -0.043 0.000 1.022 280 N CA 1.067 54.096 53.050 -0.034 0.000 0.883 280 N CB -0.376 38.067 38.487 -0.073 0.000 0.965 280 N HN 0.291 nan 8.380 nan 0.000 0.438 281 A N -0.286 122.506 122.820 -0.047 0.000 2.169 281 A HA 0.047 4.367 4.320 0.000 0.000 0.212 281 A C 0.628 178.172 177.584 -0.067 0.000 1.153 281 A CA 0.256 52.262 52.037 -0.052 0.000 0.756 281 A CB -0.040 18.930 19.000 -0.049 0.000 0.813 281 A HN 0.029 nan 8.150 nan 0.000 0.471 282 K N 1.452 121.797 120.400 -0.091 0.000 2.201 282 K HA 0.315 4.635 4.320 0.000 0.000 0.278 282 K C -0.451 176.076 176.600 -0.123 0.000 1.027 282 K CA -0.110 56.086 56.287 -0.153 0.000 0.909 282 K CB 0.801 33.143 32.500 -0.263 0.000 1.062 282 K HN 0.109 nan 8.250 nan 0.000 0.465 283 T N 3.339 117.829 114.554 -0.107 0.000 2.928 283 T HA 0.149 4.500 4.350 0.000 0.000 0.305 283 T C 0.813 175.497 174.700 -0.027 0.000 1.035 283 T CA 0.043 62.127 62.100 -0.028 0.000 1.145 283 T CB 0.120 68.998 68.868 0.018 0.000 0.963 283 T HN 0.291 nan 8.240 nan 0.000 0.545 284 I N 4.143 124.753 120.570 0.067 0.000 2.304 284 I HA 0.322 4.492 4.170 0.000 0.000 0.291 284 I C 0.225 176.428 176.117 0.142 0.000 1.018 284 I CA -0.463 60.907 61.300 0.116 0.000 1.260 284 I CB 0.797 38.959 38.000 0.270 0.000 1.390 284 I HN 0.462 nan 8.210 nan 0.000 0.475 285 I N 7.198 127.865 120.570 0.160 0.000 2.325 285 I HA 0.222 4.392 4.170 0.000 0.000 0.291 285 I C -0.213 175.952 176.117 0.079 0.000 1.019 285 I CA -0.534 60.835 61.300 0.114 0.000 1.302 285 I CB 1.080 39.136 38.000 0.095 0.000 1.401 285 I HN 0.222 nan 8.210 nan 0.000 0.485 286 V N 6.657 126.609 119.914 0.063 0.000 2.427 286 V HA 0.288 4.408 4.120 0.000 0.000 0.286 286 V C -0.027 176.067 176.094 0.000 0.000 1.034 286 V CA -0.571 61.749 62.300 0.033 0.000 0.893 286 V CB 1.526 33.373 31.823 0.039 0.000 0.982 286 V HN 0.719 nan 8.190 nan 0.000 0.452 287 Q N 4.310 124.090 119.800 -0.034 0.000 2.339 287 Q HA 0.546 4.886 4.340 0.000 0.000 0.268 287 Q C -1.211 174.765 176.000 -0.040 0.000 1.027 287 Q CA -0.583 55.197 55.803 -0.039 0.000 0.759 287 Q CB 1.459 30.148 28.738 -0.082 0.000 1.244 287 Q HN 0.720 nan 8.270 nan 0.000 0.464 288 L N 2.823 124.028 121.223 -0.029 0.000 2.453 288 L HA 0.194 4.534 4.340 0.000 0.000 0.261 288 L C 1.335 178.185 176.870 -0.034 0.000 1.179 288 L CA -0.409 54.404 54.840 -0.044 0.000 0.813 288 L CB 0.304 42.339 42.059 -0.040 0.000 1.110 288 L HN 0.750 nan 8.230 nan 0.000 0.466 289 N N -1.360 117.314 118.700 -0.043 0.000 2.254 289 N HA 0.020 4.760 4.740 0.000 0.000 0.190 289 N C -0.182 175.312 175.510 -0.026 0.000 1.107 289 N CA -0.101 52.930 53.050 -0.031 0.000 0.869 289 N CB 0.612 39.078 38.487 -0.035 0.000 0.983 289 N HN 0.521 nan 8.380 nan 0.000 0.487 290 T N 0.027 114.563 114.554 -0.031 0.000 2.921 290 T HA 0.349 4.699 4.350 0.000 0.000 0.297 290 T C -0.830 173.862 174.700 -0.013 0.000 1.013 290 T CA -0.494 61.593 62.100 -0.023 0.000 0.990 290 T CB 1.970 70.819 68.868 -0.032 0.000 1.023 290 T HN -0.053 nan 8.240 nan 0.000 0.447 291 S N 1.635 117.334 115.700 -0.001 0.000 2.580 291 S HA 0.526 4.996 4.470 0.000 0.000 0.274 291 S C -0.116 174.497 174.600 0.021 0.000 1.329 291 S CA -0.589 57.617 58.200 0.010 0.000 1.036 291 S CB 0.560 63.764 63.200 0.006 0.000 0.919 291 S HN 0.496 nan 8.310 nan 0.000 0.515 292 V N 3.252 123.191 119.914 0.042 0.000 2.483 292 V HA 0.306 4.426 4.120 0.000 0.000 0.297 292 V C -0.396 175.708 176.094 0.017 0.000 1.027 292 V CA -0.871 61.466 62.300 0.062 0.000 0.855 292 V CB 1.685 33.615 31.823 0.177 0.000 0.995 292 V HN 0.793 nan 8.190 nan 0.000 0.424 293 E N 3.548 123.746 120.200 -0.003 0.000 2.384 293 E HA 0.397 4.747 4.350 0.000 0.000 0.266 293 E C -0.435 176.125 176.600 -0.068 0.000 1.012 293 E CA 0.250 56.629 56.400 -0.035 0.000 0.901 293 E CB 1.442 31.126 29.700 -0.026 0.000 0.967 293 E HN 0.634 nan 8.360 nan 0.000 0.435 294 I N 3.101 123.608 120.570 -0.105 0.000 2.439 294 I HA 0.293 4.463 4.170 0.000 0.000 0.285 294 I C -1.424 174.615 176.117 -0.131 0.000 1.021 294 I CA -0.825 60.391 61.300 -0.140 0.000 1.091 294 I CB 0.822 38.696 38.000 -0.211 0.000 1.242 294 I HN 0.380 nan 8.210 nan 0.000 0.439 295 N N 7.070 125.717 118.700 -0.087 0.000 2.417 295 N HA 0.448 5.189 4.740 0.000 0.000 0.274 295 N C -1.361 174.111 175.510 -0.064 0.000 0.987 295 N CA -0.290 52.715 53.050 -0.075 0.000 0.912 295 N CB 1.712 40.178 38.487 -0.036 0.000 1.177 295 N HN 0.455 nan 8.380 nan 0.000 0.490 296 c N 0.353 118.891 118.600 -0.103 0.000 2.561 296 c HA 0.765 5.335 4.570 0.000 0.000 0.319 296 c C 0.698 174.744 174.090 -0.074 0.000 1.198 296 c CA -0.667 55.614 56.329 -0.080 0.000 1.665 296 c CB 1.740 44.176 42.510 -0.123 0.000 2.258 296 c HN 0.672 nan 8.230 nan 0.000 0.493 297 T N -0.256 114.281 114.554 -0.028 0.000 2.893 297 T HA 0.528 4.878 4.350 0.000 0.000 0.293 297 T C 1.043 175.888 174.700 0.241 0.000 1.027 297 T CA 0.336 62.449 62.100 0.022 0.000 0.988 297 T CB 1.389 70.165 68.868 -0.155 0.000 1.043 297 T HN 0.917 nan 8.240 nan 0.000 0.461 298 G N 2.138 111.101 108.800 0.271 0.000 2.535 298 G HA2 0.295 4.255 3.960 0.000 0.000 0.218 298 G HA3 0.295 4.255 3.960 0.000 0.000 0.218 298 G C 0.801 175.712 174.900 0.018 0.000 1.122 298 G CA 0.589 45.776 45.100 0.145 0.000 0.769 298 G HN 1.054 nan 8.290 nan 0.000 0.549 330 H N -2.227 116.953 119.070 0.183 0.000 3.003 330 H HA 0.648 5.204 4.556 0.000 0.000 0.327 330 H C -1.636 173.805 175.328 0.188 0.000 1.353 330 H CA -0.785 55.365 56.048 0.170 0.000 1.142 330 H CB 1.255 31.079 29.762 0.103 0.000 1.864 330 H HN 0.067 nan 8.280 nan 0.000 0.529 331 c N 1.596 120.360 118.600 0.273 0.000 2.455 331 c HA 0.462 5.033 4.570 0.000 0.000 0.320 331 c C -0.251 173.928 174.090 0.148 0.000 1.226 331 c CA -0.667 55.755 56.329 0.156 0.000 1.569 331 c CB 0.899 43.488 42.510 0.132 0.000 2.200 331 c HN 0.648 nan 8.230 nan 0.000 0.491 332 N N 1.758 120.513 118.700 0.093 0.000 2.399 332 N HA 0.775 5.515 4.740 0.000 0.000 0.295 332 N C -1.152 174.340 175.510 -0.030 0.000 1.048 332 N CA -0.302 52.778 53.050 0.051 0.000 0.886 332 N CB 1.380 39.916 38.487 0.081 0.000 1.185 332 N HN 0.464 nan 8.380 nan 0.000 0.487 333 I N 0.739 121.271 120.570 -0.063 0.000 2.582 333 I HA 0.414 4.585 4.170 0.000 0.000 0.292 333 I C 0.040 176.133 176.117 -0.040 0.000 1.066 333 I CA -0.972 60.271 61.300 -0.096 0.000 1.053 333 I CB 1.876 39.730 38.000 -0.243 0.000 1.241 333 I HN 0.461 nan 8.210 nan 0.000 0.421 334 A N 5.501 128.321 122.820 -0.000 0.000 2.491 334 A HA 0.248 4.568 4.320 0.000 0.000 0.261 334 A C 1.479 179.101 177.584 0.064 0.000 1.101 334 A CA -0.035 52.018 52.037 0.028 0.000 0.772 334 A CB -0.021 18.998 19.000 0.032 0.000 1.043 334 A HN 0.929 nan 8.150 nan 0.000 0.501 335 R N 2.650 123.184 120.500 0.055 0.000 2.081 335 R HA -0.158 4.182 4.340 0.000 0.000 0.235 335 R C 2.061 178.426 176.300 0.108 0.000 1.131 335 R CA 1.758 57.910 56.100 0.087 0.000 0.960 335 R CB -0.229 30.104 30.300 0.055 0.000 0.856 335 R HN 0.814 nan 8.270 nan 0.000 0.436 336 A N 1.205 124.068 122.820 0.071 0.000 1.902 336 A HA -0.166 4.155 4.320 0.000 0.000 0.217 336 A C 1.987 179.606 177.584 0.058 0.000 1.181 336 A CA 1.522 53.594 52.037 0.059 0.000 0.623 336 A CB -0.320 18.703 19.000 0.038 0.000 0.818 336 A HN 0.324 nan 8.150 nan 0.000 0.443 337 K N -1.454 118.987 120.400 0.068 0.000 2.026 337 K HA -0.170 4.150 4.320 0.000 0.000 0.208 337 K C 2.017 178.664 176.600 0.077 0.000 1.048 337 K CA 1.400 57.722 56.287 0.060 0.000 0.929 337 K CB -0.300 32.241 32.500 0.069 0.000 0.713 337 K HN 0.795 nan 8.250 nan 0.000 0.439 338 W N 2.212 123.466 121.300 -0.076 0.000 2.358 338 W HA -0.224 4.436 4.660 0.000 0.000 0.303 338 W C 1.602 178.057 176.519 -0.107 0.000 1.208 338 W CA 1.477 58.751 57.345 -0.119 0.000 1.274 338 W CB -0.194 29.181 29.460 -0.142 0.000 1.138 338 W HN 0.165 nan 8.180 nan 0.000 0.515 339 N N 0.815 119.519 118.700 0.007 0.000 2.120 339 N HA -0.239 4.501 4.740 0.000 0.000 0.188 339 N C 1.469 176.923 175.510 -0.094 0.000 1.024 339 N CA 1.975 55.035 53.050 0.017 0.000 0.852 339 N CB -0.674 37.905 38.487 0.154 0.000 1.003 339 N HN 0.055 nan 8.380 nan 0.000 0.424 340 N N -0.708 117.935 118.700 -0.096 0.000 2.120 340 N HA -0.106 4.634 4.740 0.000 0.000 0.188 340 N C 1.312 176.651 175.510 -0.284 0.000 1.024 340 N CA 1.783 54.752 53.050 -0.135 0.000 0.852 340 N CB -0.520 37.923 38.487 -0.074 0.000 1.003 340 N HN 0.145 nan 8.380 nan 0.000 0.424 341 T N 0.883 115.215 114.554 -0.370 0.000 2.684 341 T HA -0.099 4.251 4.350 0.000 0.000 0.267 341 T C 1.889 176.166 174.700 -0.705 0.000 1.036 341 T CA 1.256 63.046 62.100 -0.516 0.000 1.148 341 T CB -0.382 68.093 68.868 -0.655 0.000 0.863 341 T HN 0.181 nan 8.240 nan 0.000 0.436 342 L N 0.727 121.389 121.223 -0.934 0.000 2.046 342 L HA -0.118 4.222 4.340 0.000 0.000 0.208 342 L C 2.787 178.956 176.870 -1.168 0.000 1.077 342 L CA 1.388 55.582 54.840 -1.076 0.000 0.747 342 L CB -0.510 40.968 42.059 -0.969 0.000 0.896 342 L HN 0.220 nan 8.230 nan 0.000 0.432 343 K N 0.181 119.834 120.400 -1.245 0.000 2.063 343 K HA -0.235 4.085 4.320 0.000 0.000 0.208 343 K C 2.074 178.395 176.600 -0.466 0.000 1.048 343 K CA 1.639 57.271 56.287 -1.092 0.000 0.928 343 K CB -0.011 32.166 32.500 -0.537 0.000 0.713 343 K HN 0.418 nan 8.250 nan 0.000 0.442 344 Q N 0.182 119.764 119.800 -0.364 0.000 2.119 344 Q HA -0.097 4.243 4.340 0.000 0.000 0.201 344 Q C 2.202 178.087 176.000 -0.190 0.000 0.972 344 Q CA 1.396 57.074 55.803 -0.210 0.000 0.847 344 Q CB -0.043 28.580 28.738 -0.190 0.000 0.903 344 Q HN 0.376 nan 8.270 nan 0.000 0.433 345 I N 0.594 121.007 120.570 -0.262 0.000 2.202 345 I HA -0.248 3.922 4.170 0.000 0.000 0.242 345 I C 2.450 178.503 176.117 -0.107 0.000 1.091 345 I CA 0.897 62.093 61.300 -0.173 0.000 1.368 345 I CB -0.424 37.467 38.000 -0.183 0.000 1.058 345 I HN 0.145 nan 8.210 nan 0.000 0.410 346 A N -0.062 122.694 122.820 -0.107 0.000 1.908 346 A HA -0.262 4.058 4.320 0.000 0.000 0.218 346 A C 2.502 180.189 177.584 0.172 0.000 1.181 346 A CA 2.300 54.343 52.037 0.010 0.000 0.627 346 A CB -0.917 18.033 19.000 -0.084 0.000 0.818 346 A HN 0.397 nan 8.150 nan 0.000 0.445 347 S N -0.727 115.085 115.700 0.186 0.000 2.370 347 S HA -0.202 4.268 4.470 0.000 0.000 0.226 347 S C 2.120 176.679 174.600 -0.069 0.000 1.033 347 S CA 1.766 59.987 58.200 0.036 0.000 1.011 347 S CB -0.282 62.945 63.200 0.044 0.000 0.852 347 S HN 0.460 nan 8.310 nan 0.000 0.457 348 K N 0.973 121.330 120.400 -0.073 0.000 2.097 348 K HA 0.069 4.389 4.320 0.000 0.000 0.205 348 K C 2.093 178.623 176.600 -0.117 0.000 1.050 348 K CA 0.939 57.164 56.287 -0.102 0.000 0.938 348 K CB -0.770 31.671 32.500 -0.097 0.000 0.718 348 K HN 0.443 nan 8.250 nan 0.000 0.442 349 L N 0.789 121.954 121.223 -0.097 0.000 2.093 349 L HA -0.137 4.203 4.340 0.000 0.000 0.208 349 L C 2.491 179.422 176.870 0.102 0.000 1.085 349 L CA 1.250 56.067 54.840 -0.039 0.000 0.755 349 L CB -0.349 41.532 42.059 -0.297 0.000 0.904 349 L HN 0.209 nan 8.230 nan 0.000 0.435 350 R N 0.151 120.669 120.500 0.030 0.000 2.193 350 R HA -0.140 4.200 4.340 0.000 0.000 0.213 350 R C 1.893 178.157 176.300 -0.060 0.000 1.055 350 R CA 1.078 57.193 56.100 0.025 0.000 0.995 350 R CB -0.516 29.752 30.300 -0.052 0.000 0.893 350 R HN 0.360 nan 8.270 nan 0.000 0.459 351 E N 0.907 121.037 120.200 -0.117 0.000 2.268 351 E HA -0.244 4.106 4.350 0.000 0.000 0.195 351 E C 1.735 178.210 176.600 -0.208 0.000 0.995 351 E CA 1.083 57.394 56.400 -0.149 0.000 0.836 351 E CB 0.220 29.831 29.700 -0.148 0.000 0.763 351 E HN 0.421 nan 8.360 nan 0.000 0.491 352 Q N -0.903 118.727 119.800 -0.283 0.000 2.349 352 Q HA 0.061 4.401 4.340 0.000 0.000 0.209 352 Q C 0.897 176.527 176.000 -0.617 0.000 0.920 352 Q CA 1.003 56.460 55.803 -0.576 0.000 0.901 352 Q CB 0.052 28.204 28.738 -0.977 0.000 1.021 352 Q HN 0.313 nan 8.270 nan 0.000 0.519 353 F N -0.770 119.105 119.950 -0.126 0.000 2.720 353 F HA 0.546 5.073 4.527 0.000 0.000 0.301 353 F C 0.565 176.342 175.800 -0.038 0.000 1.103 353 F CA 0.459 58.429 58.000 -0.050 0.000 1.291 353 F CB 1.707 40.729 39.000 0.037 0.000 1.086 353 F HN 0.090 nan 8.300 nan 0.000 0.592 354 G N 0.481 109.326 108.800 0.075 0.000 2.462 354 G HA2 -0.123 3.837 3.960 0.000 0.000 0.424 354 G HA3 -0.123 3.837 3.960 0.000 0.000 0.424 354 G C -0.503 174.396 174.900 -0.001 0.000 1.573 354 G CA -0.895 44.222 45.100 0.030 0.000 0.913 354 G HN 0.143 nan 8.290 nan 0.000 0.672 355 N N 0.435 119.111 118.700 -0.040 0.000 2.459 355 N HA -0.066 4.674 4.740 0.000 0.000 0.181 355 N C 1.648 177.121 175.510 -0.063 0.000 1.046 355 N CA 0.587 53.588 53.050 -0.082 0.000 0.904 355 N CB 0.147 38.581 38.487 -0.088 0.000 0.964 355 N HN 0.330 nan 8.380 nan 0.000 0.444 356 N N 0.863 119.552 118.700 -0.019 0.000 2.268 356 N HA 0.019 4.759 4.740 0.000 0.000 0.204 356 N C -0.867 174.663 175.510 0.033 0.000 1.124 356 N CA 0.182 53.235 53.050 0.004 0.000 0.838 356 N CB 0.250 38.741 38.487 0.007 0.000 0.994 356 N HN -0.001 nan 8.380 nan 0.000 0.489 357 K N 0.765 121.192 120.400 0.045 0.000 2.276 357 K HA 0.177 4.497 4.320 0.000 0.000 0.283 357 K C -0.259 176.422 176.600 0.135 0.000 1.044 357 K CA -0.109 56.227 56.287 0.081 0.000 0.944 357 K CB 0.840 33.402 32.500 0.103 0.000 1.012 357 K HN -0.017 nan 8.250 nan 0.000 0.472 358 T N 3.728 118.360 114.554 0.131 0.000 2.832 358 T HA 0.259 4.609 4.350 0.000 0.000 0.296 358 T C 0.522 175.328 174.700 0.177 0.000 0.968 358 T CA -0.397 61.810 62.100 0.179 0.000 1.107 358 T CB 0.434 69.369 68.868 0.111 0.000 0.916 358 T HN 0.205 nan 8.240 nan 0.000 0.517 359 I N 4.648 125.371 120.570 0.254 0.000 2.321 359 I HA 0.415 4.585 4.170 0.000 0.000 0.291 359 I C 0.081 176.254 176.117 0.094 0.000 0.998 359 I CA -0.606 60.798 61.300 0.174 0.000 1.227 359 I CB 0.888 38.980 38.000 0.154 0.000 1.368 359 I HN 0.560 nan 8.210 nan 0.000 0.466 360 I N 6.304 126.876 120.570 0.004 0.000 2.433 360 I HA 0.382 4.552 4.170 0.000 0.000 0.292 360 I C -0.759 175.324 176.117 -0.056 0.000 1.001 360 I CA -0.559 60.759 61.300 0.029 0.000 1.119 360 I CB 1.691 39.717 38.000 0.043 0.000 1.289 360 I HN 0.240 nan 8.210 nan 0.000 0.438 361 F N 5.134 125.294 119.950 0.349 0.000 2.420 361 F HA 0.555 5.082 4.527 0.000 0.000 0.342 361 F C 0.270 176.252 175.800 0.302 0.000 1.113 361 F CA -0.524 57.704 58.000 0.380 0.000 1.059 361 F CB 1.330 40.620 39.000 0.483 0.000 1.128 361 F HN 0.245 nan 8.300 nan 0.000 0.475 362 K N 1.764 122.413 120.400 0.415 0.000 2.443 362 K HA 0.329 4.649 4.320 0.000 0.000 0.251 362 K C -0.916 175.843 176.600 0.265 0.000 0.972 362 K CA -1.261 55.196 56.287 0.284 0.000 0.833 362 K CB 2.438 35.029 32.500 0.152 0.000 1.317 362 K HN 0.687 nan 8.250 nan 0.000 0.441 363 Q N 0.314 120.248 119.800 0.223 0.000 2.524 363 Q HA 0.082 4.422 4.340 0.000 0.000 0.246 363 Q C -0.038 176.014 176.000 0.087 0.000 1.063 363 Q CA -0.229 55.681 55.803 0.179 0.000 0.945 363 Q CB 0.573 29.409 28.738 0.162 0.000 1.292 363 Q HN 0.423 nan 8.270 nan 0.000 0.518 364 S N 0.484 116.216 115.700 0.053 0.000 2.558 364 S HA -0.049 4.421 4.470 0.000 0.000 0.293 364 S C 0.916 175.536 174.600 0.033 0.000 1.292 364 S CA 0.075 58.289 58.200 0.024 0.000 1.063 364 S CB 0.237 63.457 63.200 0.033 0.000 0.831 364 S HN 0.721 nan 8.310 nan 0.000 0.499 365 S N 3.558 119.267 115.700 0.015 0.000 2.522 365 S HA 0.444 4.914 4.470 0.000 0.000 0.227 365 S C 1.038 175.645 174.600 0.011 0.000 0.986 365 S CA 0.166 58.374 58.200 0.012 0.000 0.929 365 S CB -0.623 62.576 63.200 -0.002 0.000 0.769 365 S HN 1.619 nan 8.310 nan 0.000 0.529 366 G N -1.371 107.437 108.800 0.013 0.000 2.369 366 G HA2 0.529 4.489 3.960 0.000 0.000 0.307 366 G HA3 0.529 4.489 3.960 0.000 0.000 0.307 366 G C -0.238 174.664 174.900 0.003 0.000 1.327 366 G CA -0.334 44.773 45.100 0.011 0.000 0.963 366 G HN 1.559 nan 8.290 nan 0.000 0.590 367 G N -0.796 108.004 108.800 -0.001 0.000 2.280 367 G HA2 0.426 4.386 3.960 0.000 0.000 0.277 367 G HA3 0.426 4.386 3.960 0.000 0.000 0.277 367 G C -1.085 173.807 174.900 -0.014 0.000 1.288 367 G CA 0.241 45.335 45.100 -0.010 0.000 1.075 367 G HN 1.146 nan 8.290 nan 0.000 0.480 368 D N 1.407 121.790 120.400 -0.029 0.000 2.423 368 D HA 0.355 4.996 4.640 0.000 0.000 0.238 368 D C -1.103 175.181 176.300 -0.026 0.000 1.142 368 D CA -0.868 53.105 54.000 -0.045 0.000 0.884 368 D CB 1.073 41.824 40.800 -0.081 0.000 1.199 368 D HN 0.029 nan 8.370 nan 0.000 0.438 369 P HA -0.139 nan 4.420 nan 0.000 0.216 369 P C 0.737 178.111 177.300 0.124 0.000 1.150 369 P CA 1.223 64.376 63.100 0.088 0.000 0.843 369 P CB 0.313 32.047 31.700 0.058 0.000 0.787 370 E N -1.625 118.510 120.200 -0.108 0.000 2.338 370 E HA -0.100 4.250 4.350 0.000 0.000 0.197 370 E C 1.568 178.058 176.600 -0.183 0.000 1.007 370 E CA 0.725 56.800 56.400 -0.542 0.000 0.849 370 E CB -0.586 28.394 29.700 -1.199 0.000 0.774 370 E HN 0.233 nan 8.360 nan 0.000 0.506 371 I N -1.304 119.225 120.570 -0.069 0.000 3.339 371 I HA -0.053 4.117 4.170 0.000 0.000 0.285 371 I C 1.595 177.745 176.117 0.054 0.000 1.201 371 I CA 0.316 61.618 61.300 0.004 0.000 1.434 371 I CB 0.421 38.408 38.000 -0.022 0.000 1.152 371 I HN -0.084 nan 8.210 nan 0.000 0.443 372 V N 0.226 120.179 119.914 0.064 0.000 2.719 372 V HA -0.050 4.070 4.120 0.000 0.000 0.252 372 V C 1.192 177.371 176.094 0.142 0.000 1.065 372 V CA 1.503 63.855 62.300 0.086 0.000 1.086 372 V CB -1.079 30.789 31.823 0.074 0.000 0.700 372 V HN 0.548 nan 8.190 nan 0.000 0.467 373 T N -2.482 112.186 114.554 0.191 0.000 2.952 373 T HA 0.418 4.768 4.350 0.000 0.000 0.286 373 T C -0.312 174.580 174.700 0.321 0.000 1.024 373 T CA -0.552 61.706 62.100 0.263 0.000 1.029 373 T CB 1.484 70.542 68.868 0.318 0.000 1.094 373 T HN 0.304 nan 8.240 nan 0.000 0.515 374 H N 0.464 119.698 119.070 0.273 0.000 3.017 374 H HA 0.370 4.926 4.556 0.000 0.000 0.276 374 H C -1.299 174.284 175.328 0.426 0.000 1.062 374 H CA -1.139 55.099 56.048 0.317 0.000 1.486 374 H CB -0.174 29.755 29.762 0.279 0.000 1.507 374 H HN 0.697 nan 8.280 nan 0.000 0.508 375 W N 8.480 129.745 121.300 -0.058 0.000 2.632 375 W HA 0.488 5.148 4.660 0.000 0.000 0.328 375 W C -1.962 174.493 176.519 -0.106 0.000 1.044 375 W CA -1.034 56.150 57.345 -0.269 0.000 1.225 375 W CB 0.610 29.878 29.460 -0.320 0.000 1.396 375 W HN 0.534 nan 8.180 nan 0.000 0.499 376 F N 2.974 122.403 119.950 -0.868 0.000 2.858 376 F HA 0.440 4.967 4.527 0.000 0.000 0.319 376 F C -1.559 173.849 175.800 -0.652 0.000 1.166 376 F CA -1.463 56.086 58.000 -0.752 0.000 0.899 376 F CB 0.934 39.626 39.000 -0.515 0.000 1.332 376 F HN 0.330 nan 8.300 nan 0.000 0.461 377 N N 0.773 119.263 118.700 -0.350 0.000 2.372 377 N HA 0.521 5.262 4.740 0.000 0.000 0.291 377 N C -1.983 173.426 175.510 -0.168 0.000 1.024 377 N CA -0.136 52.644 53.050 -0.450 0.000 0.873 377 N CB 2.041 40.130 38.487 -0.664 0.000 1.206 377 N HN 0.957 nan 8.380 nan 0.000 0.486 378 c N 2.410 120.917 118.600 -0.154 0.000 2.481 378 c HA 0.649 5.219 4.570 0.000 0.000 0.324 378 c C 1.221 175.307 174.090 -0.007 0.000 1.170 378 c CA 0.526 56.789 56.329 -0.109 0.000 1.361 378 c CB -0.376 41.903 42.510 -0.386 0.000 1.977 378 c HN 0.952 nan 8.230 nan 0.000 0.459 379 G N 3.709 112.497 108.800 -0.021 0.000 2.258 379 G HA2 0.142 4.102 3.960 0.000 0.000 0.274 379 G HA3 0.142 4.102 3.960 0.000 0.000 0.274 379 G C 1.370 176.250 174.900 -0.033 0.000 1.021 379 G CA 1.398 46.496 45.100 -0.003 0.000 0.798 379 G HN 2.862 nan 8.290 nan 0.000 0.507 380 G N -1.951 106.787 108.800 -0.104 0.000 2.176 380 G HA2 -0.216 3.745 3.960 0.000 0.000 0.253 380 G HA3 -0.216 3.745 3.960 0.000 0.000 0.253 380 G C 0.082 174.770 174.900 -0.353 0.000 0.979 380 G CA 0.891 45.866 45.100 -0.209 0.000 0.641 380 G HN 0.969 nan 8.290 nan 0.000 0.530 381 E N -0.461 119.589 120.200 -0.249 0.000 2.202 381 E HA 0.619 4.969 4.350 0.000 0.000 0.272 381 E C -0.617 175.799 176.600 -0.307 0.000 0.951 381 E CA -0.854 55.421 56.400 -0.209 0.000 0.813 381 E CB 0.935 30.612 29.700 -0.038 0.000 1.151 381 E HN 0.141 nan 8.360 nan 0.000 0.398 382 F N 1.643 121.562 119.950 -0.052 0.000 2.404 382 F HA 0.274 4.801 4.527 0.000 0.000 0.358 382 F C 0.139 175.905 175.800 -0.056 0.000 1.120 382 F CA -0.473 57.490 58.000 -0.061 0.000 1.144 382 F CB 0.357 39.467 39.000 0.184 0.000 1.133 382 F HN 0.262 nan 8.300 nan 0.000 0.495 383 F N 2.846 122.505 119.950 -0.484 0.000 2.404 383 F HA 0.398 4.925 4.527 0.000 0.000 0.339 383 F C -0.650 174.893 175.800 -0.429 0.000 1.105 383 F CA -0.996 56.683 58.000 -0.535 0.000 1.087 383 F CB 0.879 39.083 39.000 -1.326 0.000 1.143 383 F HN 0.248 nan 8.300 nan 0.000 0.491 384 Y N 2.037 122.367 120.300 0.050 0.000 2.426 384 Y HA 0.410 4.960 4.550 0.000 0.000 0.325 384 Y C -0.527 175.475 175.900 0.170 0.000 0.989 384 Y CA -1.081 57.120 58.100 0.168 0.000 1.284 384 Y CB 1.232 39.784 38.460 0.153 0.000 1.104 384 Y HN 0.422 nan 8.280 nan 0.000 0.481 385 c N 3.146 121.942 118.600 0.327 0.000 2.303 385 c HA 0.301 4.871 4.570 0.000 0.000 0.326 385 c C 0.485 174.759 174.090 0.306 0.000 1.285 385 c CA -1.249 55.286 56.329 0.342 0.000 1.675 385 c CB 0.323 43.100 42.510 0.446 0.000 2.289 385 c HN 0.732 nan 8.230 nan 0.000 0.512 386 N N 1.829 120.672 118.700 0.239 0.000 2.427 386 N HA -0.024 4.716 4.740 0.000 0.000 0.269 386 N C 0.967 176.594 175.510 0.195 0.000 1.235 386 N CA 0.269 53.439 53.050 0.201 0.000 0.934 386 N CB 0.870 39.448 38.487 0.153 0.000 1.121 386 N HN 0.849 nan 8.380 nan 0.000 0.480 387 S N 1.290 117.129 115.700 0.233 0.000 2.597 387 S HA 0.024 4.494 4.470 0.000 0.000 0.224 387 S C 1.424 176.191 174.600 0.278 0.000 0.955 387 S CA -0.256 58.095 58.200 0.251 0.000 0.933 387 S CB -0.005 63.436 63.200 0.402 0.000 0.788 387 S HN 0.469 nan 8.310 nan 0.000 0.488 388 T N 3.250 117.934 114.554 0.216 0.000 2.699 388 T HA -0.203 4.147 4.350 0.000 0.000 0.268 388 T C 1.745 176.543 174.700 0.163 0.000 1.036 388 T CA 1.958 64.182 62.100 0.206 0.000 1.147 388 T CB -0.400 68.556 68.868 0.146 0.000 0.862 388 T HN 0.594 nan 8.240 nan 0.000 0.446 389 Q N 0.087 119.938 119.800 0.084 0.000 2.291 389 Q HA 0.077 4.417 4.340 0.000 0.000 0.206 389 Q C 2.145 178.121 176.000 -0.039 0.000 0.976 389 Q CA 0.759 56.579 55.803 0.029 0.000 0.875 389 Q CB -0.236 28.499 28.738 -0.005 0.000 0.927 389 Q HN 0.499 nan 8.270 nan 0.000 0.450 390 L N -1.137 119.991 121.223 -0.158 0.000 2.375 390 L HA 0.052 4.392 4.340 0.000 0.000 0.215 390 L C 0.167 176.777 176.870 -0.434 0.000 1.108 390 L CA 0.367 54.919 54.840 -0.480 0.000 0.830 390 L CB 0.353 41.798 42.059 -1.023 0.000 0.959 390 L HN 0.123 nan 8.230 nan 0.000 0.457 391 F N -0.150 119.935 119.950 0.225 0.000 2.531 391 F HA 0.308 4.836 4.527 0.000 0.000 0.333 391 F C 0.104 176.068 175.800 0.273 0.000 1.292 391 F CA -0.587 57.582 58.000 0.281 0.000 1.184 391 F CB 0.409 39.574 39.000 0.274 0.000 1.426 391 F HN -0.127 nan 8.300 nan 0.000 0.559 392 N N 1.707 120.621 118.700 0.356 0.000 2.679 392 N HA 0.177 4.917 4.740 0.000 0.000 0.240 392 N C -1.361 174.278 175.510 0.216 0.000 1.537 392 N CA -0.066 53.140 53.050 0.260 0.000 0.793 392 N CB 0.627 39.218 38.487 0.173 0.000 1.391 392 N HN 0.272 nan 8.380 nan 0.000 0.524 393 S N -1.070 114.814 115.700 0.307 0.000 2.596 393 S HA 0.725 5.195 4.470 0.000 0.000 0.270 393 S C -0.964 173.730 174.600 0.156 0.000 1.155 393 S CA -0.616 57.683 58.200 0.165 0.000 0.827 393 S CB 1.867 65.181 63.200 0.190 0.000 1.130 393 S HN 0.004 nan 8.310 nan 0.000 0.467 394 T N 1.674 116.126 114.554 -0.170 0.000 2.824 394 T HA 0.608 4.958 4.350 0.000 0.000 0.282 394 T C -1.636 172.807 174.700 -0.428 0.000 0.993 394 T CA -0.243 61.780 62.100 -0.128 0.000 0.967 394 T CB 0.511 69.329 68.868 -0.084 0.000 0.960 394 T HN 0.632 nan 8.240 nan 0.000 0.441 395 W N 1.714 122.966 121.300 -0.080 0.000 2.785 395 W HA 0.593 5.253 4.660 0.000 0.000 0.333 395 W C -0.419 175.962 176.519 -0.230 0.000 1.062 395 W CA -1.303 55.849 57.345 -0.321 0.000 1.233 395 W CB 0.509 29.701 29.460 -0.447 0.000 1.413 395 W HN 0.783 nan 8.180 nan 0.000 0.489 396 F N 1.316 121.407 119.950 0.235 0.000 3.074 396 F HA -0.364 4.163 4.527 0.000 0.000 0.287 396 F C 0.728 176.573 175.800 0.075 0.000 0.932 396 F CA -0.012 58.071 58.000 0.137 0.000 0.995 396 F CB -1.654 37.427 39.000 0.136 0.000 0.966 396 F HN 0.380 nan 8.300 nan 0.000 0.721 411 S N -0.390 115.312 115.700 0.005 0.000 2.592 411 S HA 0.306 4.777 4.470 0.000 0.000 0.271 411 S C 1.287 175.891 174.600 0.008 0.000 1.326 411 S CA 0.850 59.052 58.200 0.003 0.000 1.024 411 S CB 1.260 64.459 63.200 -0.001 0.000 0.921 411 S HN 0.651 nan 8.310 nan 0.000 0.527 412 D N 2.194 122.598 120.400 0.007 0.000 2.149 412 D HA -0.083 4.558 4.640 0.000 0.000 0.198 412 D C 0.254 176.562 176.300 0.012 0.000 0.990 412 D CA 1.460 55.467 54.000 0.011 0.000 0.839 412 D CB 0.070 40.876 40.800 0.009 0.000 0.948 412 D HN 0.484 nan 8.370 nan 0.000 0.460 413 T N 0.183 114.740 114.554 0.005 0.000 2.807 413 T HA 0.453 4.803 4.350 0.000 0.000 0.279 413 T C -0.062 174.632 174.700 -0.009 0.000 0.993 413 T CA -0.644 61.456 62.100 0.000 0.000 0.970 413 T CB 1.696 70.565 68.868 0.001 0.000 0.950 413 T HN -0.013 nan 8.240 nan 0.000 0.441 414 I N 3.051 123.608 120.570 -0.021 0.000 2.352 414 I HA 0.231 4.402 4.170 0.000 0.000 0.290 414 I C 0.341 176.436 176.117 -0.036 0.000 1.036 414 I CA -0.279 60.996 61.300 -0.041 0.000 1.336 414 I CB 0.885 38.830 38.000 -0.091 0.000 1.407 414 I HN 0.499 nan 8.210 nan 0.000 0.497 415 T N 7.561 122.103 114.554 -0.021 0.000 2.788 415 T HA 0.392 4.743 4.350 0.000 0.000 0.296 415 T C -0.240 174.478 174.700 0.030 0.000 1.009 415 T CA -0.487 61.615 62.100 0.004 0.000 0.949 415 T CB 0.639 69.473 68.868 -0.056 0.000 0.946 415 T HN 0.099 nan 8.240 nan 0.000 0.453 416 L N 7.201 128.469 121.223 0.074 0.000 2.290 416 L HA 0.399 4.739 4.340 0.000 0.000 0.284 416 L C -1.931 175.042 176.870 0.172 0.000 1.078 416 L CA -2.519 52.384 54.840 0.105 0.000 0.815 416 L CB 0.397 42.524 42.059 0.114 0.000 1.162 416 L HN 0.345 nan 8.230 nan 0.000 0.435 417 P HA 0.219 nan 4.420 nan 0.000 0.276 417 P C -0.969 176.446 177.300 0.192 0.000 1.230 417 P CA -0.342 62.855 63.100 0.162 0.000 0.776 417 P CB 0.993 32.759 31.700 0.110 0.000 0.888 418 c N 3.098 121.821 118.600 0.205 0.000 2.971 418 c HA 0.725 5.295 4.570 0.000 0.000 0.310 418 c C 0.145 174.300 174.090 0.108 0.000 1.285 418 c CA -0.517 55.937 56.329 0.208 0.000 1.593 418 c CB 2.112 44.812 42.510 0.315 0.000 2.076 418 c HN 0.628 nan 8.230 nan 0.000 0.472 419 R N 1.026 121.575 120.500 0.081 0.000 2.574 419 R HA 0.716 5.056 4.340 0.000 0.000 0.288 419 R C -1.655 174.605 176.300 -0.068 0.000 1.004 419 R CA -0.381 55.717 56.100 -0.003 0.000 0.895 419 R CB 0.842 31.152 30.300 0.017 0.000 1.191 419 R HN 0.794 nan 8.270 nan 0.000 0.444 420 I N 4.475 124.922 120.570 -0.205 0.000 2.365 420 I HA 0.289 4.459 4.170 0.000 0.000 0.291 420 I C -0.045 176.043 176.117 -0.048 0.000 1.004 420 I CA -0.373 60.790 61.300 -0.228 0.000 1.311 420 I CB 1.461 39.224 38.000 -0.396 0.000 1.401 420 I HN 0.477 nan 8.210 nan 0.000 0.491 421 K N 4.910 125.366 120.400 0.094 0.000 2.281 421 K HA 0.431 4.751 4.320 0.000 0.000 0.242 421 K C -0.285 176.412 176.600 0.163 0.000 0.971 421 K CA -0.741 55.572 56.287 0.043 0.000 0.834 421 K CB 2.063 34.457 32.500 -0.178 0.000 1.181 421 K HN 0.355 nan 8.250 nan 0.000 0.435 422 Q N 0.269 120.136 119.800 0.111 0.000 2.396 422 Q HA 0.275 4.615 4.340 0.000 0.000 0.220 422 Q C -0.097 176.010 176.000 0.179 0.000 0.900 422 Q CA 0.562 56.474 55.803 0.182 0.000 0.925 422 Q CB 0.577 29.385 28.738 0.116 0.000 1.065 422 Q HN 0.454 nan 8.270 nan 0.000 0.535 423 I N 2.245 122.860 120.570 0.076 0.000 2.330 423 I HA 0.372 4.542 4.170 0.000 0.000 0.289 423 I C -0.469 175.659 176.117 0.019 0.000 1.001 423 I CA -0.918 60.403 61.300 0.035 0.000 1.193 423 I CB 1.044 39.035 38.000 -0.015 0.000 1.345 423 I HN 0.081 nan 8.210 nan 0.000 0.461 424 I N 3.331 123.924 120.570 0.038 0.000 2.934 424 I HA 0.565 4.735 4.170 0.000 0.000 0.306 424 I C -0.897 175.202 176.117 -0.029 0.000 1.110 424 I CA -0.862 60.455 61.300 0.028 0.000 1.019 424 I CB 2.103 40.112 38.000 0.016 0.000 1.227 424 I HN 0.312 nan 8.210 nan 0.000 0.434 425 N N 5.611 124.263 118.700 -0.080 0.000 2.444 425 N HA 0.378 5.118 4.740 0.000 0.000 0.271 425 N C -0.709 174.736 175.510 -0.109 0.000 1.069 425 N CA -0.193 52.794 53.050 -0.105 0.000 0.965 425 N CB 1.438 39.842 38.487 -0.138 0.000 1.092 425 N HN 0.620 nan 8.380 nan 0.000 0.476 426 M N 1.800 121.366 119.600 -0.056 0.000 2.238 426 M HA 0.098 4.578 4.480 0.000 0.000 0.347 426 M C 1.557 177.846 176.300 -0.018 0.000 1.173 426 M CA -0.318 54.961 55.300 -0.034 0.000 1.147 426 M CB 1.047 33.594 32.600 -0.088 0.000 1.547 426 M HN 0.686 nan 8.290 nan 0.000 0.455 427 W N 1.478 122.786 121.300 0.015 0.000 2.576 427 W HA -0.005 4.655 4.660 0.000 0.000 0.270 427 W C 0.813 177.347 176.519 0.026 0.000 1.255 427 W CA 0.330 57.681 57.345 0.011 0.000 1.314 427 W CB -0.604 28.907 29.460 0.084 0.000 1.101 427 W HN 0.629 nan 8.180 nan 0.000 0.595 428 Q N 1.934 121.229 119.800 -0.841 0.000 2.079 428 Q HA -0.075 4.265 4.340 0.000 0.000 0.200 428 Q C 0.651 176.505 176.000 -0.245 0.000 0.974 428 Q CA 2.087 57.409 55.803 -0.802 0.000 0.840 428 Q CB -0.143 28.044 28.738 -0.918 0.000 0.898 428 Q HN 0.439 nan 8.270 nan 0.000 0.430 429 K N -2.518 117.776 120.400 -0.177 0.000 2.571 429 K HA 0.414 4.735 4.320 0.000 0.000 0.289 429 K C -1.109 175.457 176.600 -0.057 0.000 1.028 429 K CA -0.854 55.391 56.287 -0.071 0.000 0.895 429 K CB 1.026 33.485 32.500 -0.068 0.000 1.534 429 K HN -0.279 nan 8.250 nan 0.000 0.421 430 V N 1.685 121.579 119.914 -0.033 0.000 2.324 430 V HA 0.103 4.223 4.120 0.000 0.000 0.244 430 V C -0.551 175.519 176.094 -0.040 0.000 1.144 430 V CA 0.097 62.379 62.300 -0.031 0.000 1.158 430 V CB -1.293 30.518 31.823 -0.020 0.000 1.254 430 V HN 0.647 nan 8.190 nan 0.000 0.492 431 c N 3.840 122.410 118.600 -0.050 0.000 3.241 431 c HA 0.555 5.125 4.570 0.000 0.000 0.312 431 c C -0.059 174.001 174.090 -0.050 0.000 1.350 431 c CA -1.489 54.810 56.329 -0.049 0.000 1.415 431 c CB 2.527 45.004 42.510 -0.055 0.000 1.770 431 c HN 0.679 nan 8.230 nan 0.000 0.466 432 K N 0.880 121.251 120.400 -0.048 0.000 2.203 432 K HA 0.818 5.138 4.320 0.000 0.000 0.251 432 K C -0.702 175.864 176.600 -0.056 0.000 0.944 432 K CA -0.105 56.154 56.287 -0.047 0.000 0.829 432 K CB 1.987 34.459 32.500 -0.046 0.000 1.125 432 K HN 0.848 nan 8.250 nan 0.000 0.430 433 A N 2.843 125.631 122.820 -0.053 0.000 2.435 433 A HA 0.646 4.966 4.320 0.000 0.000 0.304 433 A C -1.279 176.229 177.584 -0.128 0.000 1.064 433 A CA -0.751 51.214 52.037 -0.121 0.000 0.727 433 A CB 1.456 20.385 19.000 -0.118 0.000 1.284 433 A HN 0.761 nan 8.150 nan 0.000 0.415 434 M N 1.789 121.252 119.600 -0.229 0.000 2.383 434 M HA 0.665 5.146 4.480 0.000 0.000 0.325 434 M C -1.954 174.173 176.300 -0.288 0.000 1.092 434 M CA -0.401 54.817 55.300 -0.136 0.000 0.961 434 M CB 1.346 33.902 32.600 -0.073 0.000 1.672 434 M HN 0.758 nan 8.290 nan 0.000 0.438 435 Y N 1.414 121.761 120.300 0.079 0.000 2.598 435 Y HA 0.728 5.278 4.550 0.000 0.000 0.340 435 Y C 0.333 176.282 175.900 0.081 0.000 1.038 435 Y CA -0.861 57.305 58.100 0.109 0.000 1.100 435 Y CB 1.719 40.299 38.460 0.199 0.000 1.281 435 Y HN 0.743 nan 8.280 nan 0.000 0.488 436 A N 2.426 125.389 122.820 0.237 0.000 2.386 436 A HA 0.481 4.801 4.320 0.000 0.000 0.248 436 A C -2.489 175.175 177.584 0.134 0.000 1.082 436 A CA -1.310 50.811 52.037 0.140 0.000 0.789 436 A CB -0.498 18.567 19.000 0.109 0.000 1.025 436 A HN 0.458 nan 8.150 nan 0.000 0.490 437 P HA 0.251 nan 4.420 nan 0.000 0.271 437 P C -2.480 174.850 177.300 0.050 0.000 1.233 437 P CA -0.850 62.286 63.100 0.061 0.000 0.789 437 P CB -0.418 31.305 31.700 0.037 0.000 0.951 438 P HA 0.058 nan 4.420 nan 0.000 0.272 438 P C 0.391 177.703 177.300 0.020 0.000 1.223 438 P CA 0.169 63.280 63.100 0.019 0.000 0.784 438 P CB 0.110 31.808 31.700 -0.003 0.000 0.923 439 I N -1.719 118.863 120.570 0.020 0.000 4.227 439 I HA 0.201 4.371 4.170 0.000 0.000 0.334 439 I C 0.092 176.219 176.117 0.015 0.000 1.341 439 I CA 0.347 61.658 61.300 0.019 0.000 1.123 439 I CB -0.356 37.656 38.000 0.021 0.000 1.097 439 I HN 0.153 nan 8.210 nan 0.000 0.399 440 S N 1.270 116.979 115.700 0.016 0.000 2.489 440 S HA 0.684 5.154 4.470 0.000 0.000 0.291 440 S C 1.014 175.624 174.600 0.018 0.000 1.151 440 S CA 0.047 58.257 58.200 0.016 0.000 1.082 440 S CB 1.429 64.639 63.200 0.018 0.000 1.019 440 S HN 0.437 nan 8.310 nan 0.000 0.492 441 G N 2.317 111.127 108.800 0.017 0.000 3.088 441 G HA2 0.180 4.141 3.960 0.000 0.000 0.217 441 G HA3 0.180 4.141 3.960 0.000 0.000 0.217 441 G C 0.326 175.240 174.900 0.022 0.000 1.159 441 G CA -0.120 44.991 45.100 0.018 0.000 0.760 441 G HN 0.671 nan 8.290 nan 0.000 0.550 442 Q N 0.649 120.463 119.800 0.024 0.000 3.075 442 Q HA 0.340 4.680 4.340 0.000 0.000 0.318 442 Q C -0.804 175.215 176.000 0.032 0.000 0.907 442 Q CA -0.315 55.503 55.803 0.025 0.000 0.882 442 Q CB 0.845 29.593 28.738 0.017 0.000 1.386 442 Q HN 0.299 nan 8.270 nan 0.000 0.408 443 I N 2.247 122.850 120.570 0.055 0.000 2.337 443 I HA 0.311 4.481 4.170 0.000 0.000 0.291 443 I C -0.052 176.110 176.117 0.074 0.000 1.046 443 I CA -0.154 61.196 61.300 0.083 0.000 1.324 443 I CB 0.308 38.403 38.000 0.159 0.000 1.409 443 I HN 0.058 nan 8.210 nan 0.000 0.494 444 R N 5.534 126.049 120.500 0.025 0.000 2.575 444 R HA 0.628 4.968 4.340 0.000 0.000 0.293 444 R C -1.635 174.635 176.300 -0.050 0.000 0.983 444 R CA -0.558 55.535 56.100 -0.013 0.000 0.887 444 R CB 1.991 32.283 30.300 -0.013 0.000 1.184 444 R HN 0.537 nan 8.270 nan 0.000 0.445 445 c N 1.202 119.744 118.600 -0.097 0.000 2.626 445 c HA 0.604 5.175 4.570 0.000 0.000 0.310 445 c C 0.026 174.041 174.090 -0.124 0.000 1.191 445 c CA -0.849 55.409 56.329 -0.119 0.000 1.517 445 c CB 2.002 44.410 42.510 -0.171 0.000 2.102 445 c HN 0.884 nan 8.230 nan 0.000 0.479 446 S N 2.048 117.687 115.700 -0.101 0.000 2.596 446 S HA 0.813 5.284 4.470 0.000 0.000 0.318 446 S C -0.719 173.820 174.600 -0.101 0.000 1.097 446 S CA -0.263 57.879 58.200 -0.096 0.000 1.080 446 S CB 1.186 64.349 63.200 -0.062 0.000 0.991 446 S HN 0.717 nan 8.310 nan 0.000 0.471 447 S N 2.800 118.423 115.700 -0.128 0.000 2.689 447 S HA 0.583 5.053 4.470 0.000 0.000 0.306 447 S C -0.792 173.756 174.600 -0.087 0.000 1.104 447 S CA -1.036 57.095 58.200 -0.114 0.000 0.973 447 S CB 0.975 64.074 63.200 -0.168 0.000 1.121 447 S HN 0.786 nan 8.310 nan 0.000 0.523 448 N N 1.498 120.163 118.700 -0.058 0.000 2.424 448 N HA 0.423 5.163 4.740 0.000 0.000 0.271 448 N C -0.878 174.613 175.510 -0.031 0.000 0.985 448 N CA -0.299 52.730 53.050 -0.035 0.000 0.921 448 N CB 0.858 39.337 38.487 -0.013 0.000 1.149 448 N HN 0.502 nan 8.380 nan 0.000 0.492 449 I N 1.630 122.185 120.570 -0.025 0.000 2.517 449 I HA -0.000 4.170 4.170 0.000 0.000 0.285 449 I C 1.474 177.611 176.117 0.033 0.000 1.106 449 I CA 0.311 61.612 61.300 0.001 0.000 1.402 449 I CB 0.478 38.502 38.000 0.041 0.000 1.399 449 I HN 0.573 nan 8.210 nan 0.000 0.535 450 T N 0.878 115.451 114.554 0.033 0.000 3.004 450 T HA 0.444 4.794 4.350 0.000 0.000 0.266 450 T C 0.440 175.161 174.700 0.035 0.000 0.986 450 T CA -0.050 62.070 62.100 0.033 0.000 0.902 450 T CB 0.646 69.537 68.868 0.038 0.000 1.118 450 T HN 0.735 nan 8.240 nan 0.000 0.522 451 G N 0.574 109.403 108.800 0.048 0.000 2.559 451 G HA2 0.592 4.552 3.960 0.000 0.000 0.291 451 G HA3 0.592 4.552 3.960 0.000 0.000 0.291 451 G C -2.520 172.428 174.900 0.080 0.000 1.424 451 G CA -0.876 44.253 45.100 0.049 0.000 0.786 451 G HN 0.242 nan 8.290 nan 0.000 0.485 452 L N -0.981 120.294 121.223 0.086 0.000 2.415 452 L HA 0.688 5.028 4.340 0.000 0.000 0.256 452 L C -0.592 176.337 176.870 0.098 0.000 1.010 452 L CA -0.546 54.370 54.840 0.127 0.000 0.826 452 L CB 2.267 44.445 42.059 0.198 0.000 1.405 452 L HN 0.472 nan 8.230 nan 0.000 0.410 453 L N 2.876 124.155 121.223 0.093 0.000 2.319 453 L HA 0.651 4.991 4.340 0.000 0.000 0.281 453 L C -0.989 175.922 176.870 0.068 0.000 1.005 453 L CA -0.276 54.609 54.840 0.074 0.000 0.828 453 L CB 1.255 43.343 42.059 0.049 0.000 1.227 453 L HN 0.363 nan 8.230 nan 0.000 0.415 454 L N 2.349 123.633 121.223 0.101 0.000 2.323 454 L HA 0.760 5.100 4.340 0.000 0.000 0.265 454 L C 0.033 176.984 176.870 0.133 0.000 1.012 454 L CA -0.609 54.307 54.840 0.126 0.000 0.820 454 L CB 2.601 44.796 42.059 0.228 0.000 1.334 454 L HN 0.571 nan 8.230 nan 0.000 0.427 455 T N -1.589 113.036 114.554 0.118 0.000 2.907 455 T HA 0.545 4.895 4.350 0.000 0.000 0.292 455 T C -0.659 174.072 174.700 0.052 0.000 1.043 455 T CA -0.917 61.233 62.100 0.083 0.000 1.003 455 T CB 2.360 71.234 68.868 0.010 0.000 1.084 455 T HN 0.595 nan 8.240 nan 0.000 0.483 456 R N 0.813 121.279 120.500 -0.057 0.000 2.474 456 R HA 0.348 4.688 4.340 0.000 0.000 0.295 456 R C -0.013 176.104 176.300 -0.305 0.000 0.980 456 R CA -0.497 55.364 56.100 -0.398 0.000 0.934 456 R CB 0.900 30.879 30.300 -0.534 0.000 1.101 456 R HN 0.715 nan 8.270 nan 0.000 0.469 457 D N 2.300 122.484 120.400 -0.359 0.000 2.084 457 D HA 0.007 4.647 4.640 0.000 0.000 0.194 457 D C 1.104 177.285 176.300 -0.197 0.000 0.990 457 D CA 1.879 55.745 54.000 -0.224 0.000 0.826 457 D CB -0.278 40.400 40.800 -0.204 0.000 0.971 457 D HN 0.820 nan 8.370 nan 0.000 0.453 458 G N -0.219 108.429 108.800 -0.254 0.000 2.564 458 G HA2 0.159 4.120 3.960 0.000 0.000 0.273 458 G HA3 0.159 4.120 3.960 0.000 0.000 0.273 458 G C 0.554 175.382 174.900 -0.121 0.000 1.242 458 G CA 0.123 45.115 45.100 -0.180 0.000 0.951 458 G HN 1.260 nan 8.290 nan 0.000 0.564 459 G N -1.881 106.870 108.800 -0.081 0.000 2.690 459 G HA2 0.225 4.185 3.960 0.000 0.000 0.686 459 G HA3 0.225 4.185 3.960 0.000 0.000 0.686 459 G C -0.427 174.443 174.900 -0.049 0.000 1.277 459 G CA 0.445 45.509 45.100 -0.059 0.000 0.799 459 G HN 1.696 nan 8.290 nan 0.000 0.613 460 N N 0.586 119.265 118.700 -0.035 0.000 2.406 460 N HA 0.424 5.164 4.740 0.000 0.000 0.274 460 N C -0.120 175.372 175.510 -0.029 0.000 1.249 460 N CA 0.961 53.994 53.050 -0.027 0.000 0.951 460 N CB 1.226 39.701 38.487 -0.020 0.000 1.241 460 N HN 0.767 nan 8.380 nan 0.000 0.485 461 S N 1.313 116.994 115.700 -0.031 0.000 2.619 461 S HA 0.213 4.683 4.470 0.000 0.000 0.280 461 S C 0.707 175.294 174.600 -0.022 0.000 1.150 461 S CA -0.917 57.264 58.200 -0.030 0.000 0.978 461 S CB 0.409 63.583 63.200 -0.043 0.000 1.041 461 S HN 0.602 nan 8.310 nan 0.000 0.485 462 N N 3.836 122.526 118.700 -0.016 0.000 2.461 462 N HA -0.051 4.689 4.740 0.000 0.000 0.188 462 N C 0.140 175.644 175.510 -0.010 0.000 1.134 462 N CA 0.013 53.057 53.050 -0.010 0.000 0.878 462 N CB -0.358 38.124 38.487 -0.008 0.000 0.972 462 N HN 0.513 nan 8.380 nan 0.000 0.456 463 N N 1.811 120.502 118.700 -0.015 0.000 2.513 463 N HA -0.040 4.700 4.740 0.000 0.000 0.268 463 N C -0.684 174.818 175.510 -0.013 0.000 1.180 463 N CA 0.196 53.238 53.050 -0.014 0.000 0.948 463 N CB 0.585 39.060 38.487 -0.020 0.000 1.083 463 N HN 0.196 nan 8.380 nan 0.000 0.455 464 E N 1.384 121.583 120.200 -0.002 0.000 2.325 464 E HA 0.103 4.453 4.350 0.000 0.000 0.295 464 E C -0.525 176.082 176.600 0.013 0.000 1.461 464 E CA -0.304 56.100 56.400 0.007 0.000 1.698 464 E CB 0.024 29.734 29.700 0.016 0.000 1.496 464 E HN 0.529 nan 8.360 nan 0.000 0.474 465 S N 0.223 115.918 115.700 -0.009 0.000 2.588 465 S HA 0.507 4.977 4.470 0.000 0.000 0.275 465 S C -0.646 173.909 174.600 -0.075 0.000 1.130 465 S CA -1.115 57.079 58.200 -0.011 0.000 0.855 465 S CB 2.512 65.709 63.200 -0.006 0.000 1.116 465 S HN -0.005 nan 8.310 nan 0.000 0.472 466 E N 1.298 121.442 120.200 -0.093 0.000 2.234 466 E HA 0.474 4.824 4.350 0.000 0.000 0.266 466 E C -0.956 175.423 176.600 -0.368 0.000 0.877 466 E CA -0.657 55.562 56.400 -0.301 0.000 0.758 466 E CB 1.849 31.333 29.700 -0.360 0.000 1.170 466 E HN 0.605 nan 8.360 nan 0.000 0.415 467 I N 2.970 123.214 120.570 -0.545 0.000 2.359 467 I HA 0.408 4.578 4.170 0.000 0.000 0.294 467 I C -0.244 175.477 176.117 -0.660 0.000 0.987 467 I CA -0.614 60.450 61.300 -0.392 0.000 1.225 467 I CB 0.020 37.887 38.000 -0.222 0.000 1.366 467 I HN 0.350 nan 8.210 nan 0.000 0.466 468 F N 5.249 125.121 119.950 -0.130 0.000 2.520 468 F HA 0.626 5.154 4.527 0.000 0.000 0.322 468 F C 0.405 176.246 175.800 0.069 0.000 1.103 468 F CA -0.707 57.265 58.000 -0.047 0.000 0.926 468 F CB 1.763 40.732 39.000 -0.051 0.000 1.154 468 F HN 0.274 nan 8.300 nan 0.000 0.453 469 R N 2.371 122.964 120.500 0.155 0.000 2.750 469 R HA 0.493 4.833 4.340 0.000 0.000 0.281 469 R C -2.850 173.367 176.300 -0.139 0.000 0.972 469 R CA -2.183 53.921 56.100 0.008 0.000 0.912 469 R CB 2.068 32.362 30.300 -0.010 0.000 1.187 469 R HN 0.268 nan 8.270 nan 0.000 0.464 470 P HA 0.059 nan 4.420 nan 0.000 0.268 470 P C -0.564 176.650 177.300 -0.144 0.000 1.205 470 P CA 0.164 62.994 63.100 -0.450 0.000 0.771 470 P CB 1.264 32.547 31.700 -0.695 0.000 0.858 471 G N 0.506 109.273 108.800 -0.057 0.000 3.214 471 G HA2 0.730 4.690 3.960 0.000 0.000 0.188 471 G HA3 0.730 4.690 3.960 0.000 0.000 0.188 471 G C -0.101 174.812 174.900 0.022 0.000 1.126 471 G CA -0.319 44.777 45.100 -0.007 0.000 0.796 471 G HN 0.800 nan 8.290 nan 0.000 0.631 472 G N -2.737 106.075 108.800 0.019 0.000 2.610 472 G HA2 0.458 4.418 3.960 0.000 0.000 0.304 472 G HA3 0.458 4.418 3.960 0.000 0.000 0.304 472 G C 0.841 175.750 174.900 0.015 0.000 1.309 472 G CA 0.903 46.013 45.100 0.018 0.000 0.906 472 G HN 2.543 nan 8.290 nan 0.000 0.521 473 G N -1.205 107.601 108.800 0.011 0.000 2.796 473 G HA2 0.035 3.995 3.960 0.000 0.000 0.198 473 G HA3 0.035 3.995 3.960 0.000 0.000 0.198 473 G C 0.125 175.036 174.900 0.018 0.000 1.062 473 G CA 1.024 46.135 45.100 0.019 0.000 0.752 473 G HN 1.666 nan 8.290 nan 0.000 0.487 474 D N 1.957 122.346 120.400 -0.019 0.000 2.365 474 D HA 0.465 5.105 4.640 0.000 0.000 0.237 474 D C 1.891 178.090 176.300 -0.168 0.000 1.190 474 D CA -0.516 53.459 54.000 -0.042 0.000 0.867 474 D CB 0.522 41.295 40.800 -0.045 0.000 1.050 474 D HN 0.070 nan 8.370 nan 0.000 0.491 475 M N 3.050 122.530 119.600 -0.201 0.000 2.549 475 M HA -0.027 4.453 4.480 0.000 0.000 0.260 475 M C 1.641 177.313 176.300 -1.047 0.000 1.076 475 M CA 0.665 55.585 55.300 -0.634 0.000 1.090 475 M CB -0.518 31.690 32.600 -0.653 0.000 1.418 475 M HN 0.368 nan 8.290 nan 0.000 0.486 476 R N 0.393 120.549 120.500 -0.572 0.000 2.120 476 R HA -0.142 4.198 4.340 0.000 0.000 0.234 476 R C 1.608 177.735 176.300 -0.288 0.000 1.123 476 R CA 1.102 56.968 56.100 -0.391 0.000 0.975 476 R CB -0.202 29.965 30.300 -0.221 0.000 0.866 476 R HN 0.369 nan 8.270 nan 0.000 0.446 477 D N 0.324 120.572 120.400 -0.253 0.000 2.117 477 D HA -0.108 4.532 4.640 0.000 0.000 0.198 477 D C 1.392 177.577 176.300 -0.192 0.000 0.982 477 D CA 1.136 55.059 54.000 -0.127 0.000 0.828 477 D CB -0.320 40.457 40.800 -0.039 0.000 0.967 477 D HN 0.159 nan 8.370 nan 0.000 0.464 478 N N 0.503 118.961 118.700 -0.404 0.000 2.061 478 N HA -0.180 4.561 4.740 0.000 0.000 0.193 478 N C 1.811 177.262 175.510 -0.100 0.000 1.030 478 N CA 1.168 53.986 53.050 -0.386 0.000 0.856 478 N CB -0.709 37.316 38.487 -0.769 0.000 1.023 478 N HN 0.480 nan 8.380 nan 0.000 0.424 479 W N 0.856 122.174 121.300 0.030 0.000 2.388 479 W HA 0.066 4.726 4.660 0.000 0.000 0.294 479 W C 2.417 178.956 176.519 0.034 0.000 1.212 479 W CA -0.341 57.027 57.345 0.038 0.000 1.271 479 W CB -0.210 29.273 29.460 0.038 0.000 1.126 479 W HN -0.006 nan 8.180 nan 0.000 0.535 480 R N 1.242 121.833 120.500 0.151 0.000 2.127 480 R HA -0.179 4.161 4.340 0.000 0.000 0.238 480 R C 2.424 178.772 176.300 0.080 0.000 1.134 480 R CA 1.853 57.972 56.100 0.032 0.000 0.975 480 R CB -0.452 29.762 30.300 -0.144 0.000 0.865 480 R HN 0.197 nan 8.270 nan 0.000 0.447 481 S N -0.163 115.593 115.700 0.094 0.000 2.474 481 S HA -0.073 4.397 4.470 0.000 0.000 0.235 481 S C 1.363 176.156 174.600 0.321 0.000 0.997 481 S CA 0.854 59.135 58.200 0.134 0.000 0.949 481 S CB 0.116 63.363 63.200 0.078 0.000 0.766 481 S HN 0.285 nan 8.310 nan 0.000 0.517 482 E N 0.758 121.154 120.200 0.326 0.000 2.330 482 E HA 0.309 4.660 4.350 0.000 0.000 0.200 482 E C 1.661 178.452 176.600 0.318 0.000 0.922 482 E CA 0.272 56.892 56.400 0.365 0.000 0.935 482 E CB -0.095 29.804 29.700 0.332 0.000 0.917 482 E HN 0.505 nan 8.360 nan 0.000 0.491 483 L N 1.429 122.811 121.223 0.265 0.000 2.592 483 L HA 0.032 4.372 4.340 0.000 0.000 0.227 483 L C 2.036 178.979 176.870 0.123 0.000 1.127 483 L CA -0.013 54.981 54.840 0.256 0.000 0.884 483 L CB -0.352 41.811 42.059 0.174 0.000 1.065 483 L HN 0.160 nan 8.230 nan 0.000 0.457 484 Y N 0.943 121.281 120.300 0.062 0.000 2.384 484 Y HA -0.236 4.314 4.550 0.000 0.000 0.289 484 Y C 2.074 177.993 175.900 0.032 0.000 1.152 484 Y CA 1.194 59.272 58.100 -0.036 0.000 1.258 484 Y CB -0.768 37.601 38.460 -0.152 0.000 0.979 484 Y HN 0.214 nan 8.280 nan 0.000 0.549 485 K N -1.087 118.823 120.400 -0.817 0.000 2.374 485 K HA 0.173 4.493 4.320 0.000 0.000 0.196 485 K C -1.049 175.240 176.600 -0.519 0.000 1.023 485 K CA -0.233 55.599 56.287 -0.758 0.000 1.103 485 K CB -0.191 31.658 32.500 -1.085 0.000 0.848 485 K HN 0.338 nan 8.250 nan 0.000 0.528 486 Y N 2.000 122.336 120.300 0.060 0.000 2.509 486 Y HA 0.375 4.925 4.550 0.000 0.000 0.341 486 Y C -0.291 175.785 175.900 0.292 0.000 1.038 486 Y CA -1.044 57.182 58.100 0.211 0.000 1.089 486 Y CB 2.006 40.514 38.460 0.079 0.000 1.241 486 Y HN -0.043 nan 8.280 nan 0.000 0.468 487 K N -0.665 119.962 120.400 0.378 0.000 2.556 487 K HA 0.794 5.114 4.320 0.000 0.000 0.274 487 K C -2.295 174.349 176.600 0.073 0.000 0.966 487 K CA -0.978 55.379 56.287 0.118 0.000 0.865 487 K CB 1.976 34.392 32.500 -0.140 0.000 1.444 487 K HN 0.384 nan 8.250 nan 0.000 0.433 488 V N 1.995 121.926 119.914 0.028 0.000 2.435 488 V HA 0.472 4.592 4.120 0.000 0.000 0.290 488 V C -0.448 175.720 176.094 0.123 0.000 1.030 488 V CA -0.576 61.757 62.300 0.056 0.000 0.881 488 V CB 1.451 33.242 31.823 -0.053 0.000 0.983 488 V HN 0.634 nan 8.190 nan 0.000 0.445 489 V N 2.649 122.679 119.914 0.194 0.000 2.769 489 V HA 0.718 4.838 4.120 0.000 0.000 0.312 489 V C -0.442 175.775 176.094 0.207 0.000 1.061 489 V CA -1.434 60.974 62.300 0.179 0.000 0.931 489 V CB 1.861 33.712 31.823 0.046 0.000 1.010 489 V HN 0.693 nan 8.190 nan 0.000 0.433 490 K N 3.214 123.635 120.400 0.036 0.000 2.401 490 K HA 0.487 4.807 4.320 0.000 0.000 0.278 490 K C -0.121 176.367 176.600 -0.186 0.000 1.018 490 K CA 0.232 56.330 56.287 -0.315 0.000 0.981 490 K CB 0.462 32.787 32.500 -0.292 0.000 0.933 490 K HN 0.673 nan 8.250 nan 0.000 0.477 491 I N 0.000 120.434 120.570 -0.226 0.000 2.984 491 I HA 0.000 4.170 4.170 0.000 0.000 0.288 491 I CA 0.000 61.229 61.300 -0.118 0.000 1.566 491 I CB 0.000 37.945 38.000 -0.092 0.000 1.214 491 I HN 0.000 nan 8.210 nan 0.000 0.494