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 4nos_1_C DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEFTQLCID LGWKPKYGRF DVVPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV IHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D 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 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.461 176.300 0.269 0.000 0.893 83 R CA 0.000 56.123 56.100 0.038 0.000 0.921 83 R CB 0.000 30.303 30.300 0.005 0.000 0.687 84 H N -0.617 118.590 119.070 0.229 0.000 2.990 84 H HA 0.632 5.181 4.556 -0.011 0.000 0.336 84 H C -1.656 173.759 175.328 0.144 0.000 1.306 84 H CA -0.797 55.398 56.048 0.244 0.000 1.118 84 H CB 1.521 31.383 29.762 0.167 0.000 1.856 84 H HN 0.176 nan 8.280 nan 0.000 0.538 85 V N 1.584 121.699 119.914 0.335 0.000 2.417 85 V HA 0.423 4.537 4.120 -0.011 0.000 0.291 85 V C 0.232 176.464 176.094 0.230 0.000 1.024 85 V CA -0.765 61.629 62.300 0.157 0.000 0.861 85 V CB 1.128 32.887 31.823 -0.107 0.000 0.985 85 V HN 0.806 nan 8.190 nan 0.000 0.436 86 R N 4.999 125.628 120.500 0.215 0.000 2.357 86 R HA 0.705 5.039 4.340 -0.011 0.000 0.296 86 R C -0.550 175.758 176.300 0.014 0.000 1.052 86 R CA -0.294 55.860 56.100 0.090 0.000 0.988 86 R CB 0.823 31.184 30.300 0.101 0.000 1.025 86 R HN 0.808 nan 8.270 nan 0.000 0.469 87 I N -0.464 120.076 120.570 -0.050 0.000 2.892 87 I HA 0.627 4.791 4.170 -0.011 0.000 0.306 87 I C -1.072 174.925 176.117 -0.200 0.000 1.078 87 I CA -1.132 60.133 61.300 -0.059 0.000 1.032 87 I CB 2.255 40.269 38.000 0.024 0.000 1.229 87 I HN 0.520 nan 8.210 nan 0.000 0.435 88 K N 2.458 122.689 120.400 -0.281 0.000 2.477 88 K HA 0.372 4.686 4.320 -0.011 0.000 0.255 88 K C -1.510 174.741 176.600 -0.583 0.000 0.952 88 K CA -0.776 55.183 56.287 -0.547 0.000 0.826 88 K CB 2.092 34.093 32.500 -0.832 0.000 1.331 88 K HN 0.784 nan 8.250 nan 0.000 0.437 89 N N 3.024 121.397 118.700 -0.545 0.000 2.469 89 N HA 0.126 4.860 4.740 -0.011 0.000 0.253 89 N C -0.257 175.048 175.510 -0.342 0.000 0.970 89 N CA -0.325 52.550 53.050 -0.292 0.000 0.940 89 N CB 0.493 38.887 38.487 -0.154 0.000 1.128 89 N HN 0.643 nan 8.380 nan 0.000 0.503 90 W N 2.115 123.485 121.300 0.116 0.000 2.825 90 W HA 0.183 4.837 4.660 -0.011 0.000 0.243 90 W C 1.970 178.514 176.519 0.041 0.000 1.293 90 W CA -0.109 57.293 57.345 0.096 0.000 1.403 90 W CB 0.436 29.990 29.460 0.157 0.000 1.134 90 W HN 0.651 nan 8.180 nan 0.000 0.666 91 G N -0.976 107.918 108.800 0.157 0.000 2.796 91 G HA2 -0.058 3.896 3.960 -0.011 0.000 0.210 91 G HA3 -0.058 3.896 3.960 -0.011 0.000 0.210 91 G C 1.247 176.138 174.900 -0.015 0.000 1.146 91 G CA 0.877 45.961 45.100 -0.027 0.000 0.779 91 G HN 0.218 nan 8.290 nan 0.000 0.535 92 S N -1.959 113.729 115.700 -0.020 0.000 2.733 92 S HA 0.384 4.847 4.470 -0.011 0.000 0.247 92 S C 1.754 176.296 174.600 -0.097 0.000 1.043 92 S CA 1.046 59.216 58.200 -0.051 0.000 1.066 92 S CB 0.405 63.575 63.200 -0.050 0.000 1.045 92 S HN 1.359 nan 8.310 nan 0.000 0.586 93 G N 2.040 110.760 108.800 -0.133 0.000 2.196 93 G HA2 -0.362 3.592 3.960 -0.011 0.000 0.268 93 G HA3 -0.362 3.592 3.960 -0.011 0.000 0.268 93 G C 0.052 174.787 174.900 -0.275 0.000 0.975 93 G CA 0.760 45.742 45.100 -0.198 0.000 0.648 93 G HN 0.688 nan 8.290 nan 0.000 0.538 94 M N 1.984 121.404 119.600 -0.301 0.000 2.238 94 M HA 0.475 4.948 4.480 -0.011 0.000 0.347 94 M C 0.846 176.803 176.300 -0.571 0.000 1.173 94 M CA 1.024 56.081 55.300 -0.406 0.000 1.147 94 M CB 0.554 32.893 32.600 -0.435 0.000 1.547 94 M HN 0.503 nan 8.290 nan 0.000 0.455 95 T N 1.195 115.393 114.554 -0.593 0.000 2.900 95 T HA 0.699 5.042 4.350 -0.011 0.000 0.295 95 T C -0.979 173.338 174.700 -0.637 0.000 1.044 95 T CA -0.777 60.976 62.100 -0.578 0.000 0.995 95 T CB 1.203 69.864 68.868 -0.346 0.000 1.072 95 T HN 0.443 nan 8.240 nan 0.000 0.473 96 F N 0.396 120.126 119.950 -0.367 0.000 2.579 96 F HA 0.617 5.138 4.527 -0.010 0.000 0.324 96 F C 0.271 175.823 175.800 -0.414 0.000 1.058 96 F CA -1.163 56.523 58.000 -0.525 0.000 0.944 96 F CB 2.330 40.632 39.000 -1.164 0.000 1.245 96 F HN 0.562 nan 8.300 nan 0.000 0.477 97 Q N 1.057 120.772 119.800 -0.141 0.000 2.363 97 Q HA 0.210 4.544 4.340 -0.011 0.000 0.265 97 Q C -1.475 174.546 176.000 0.035 0.000 1.032 97 Q CA -0.665 54.991 55.803 -0.244 0.000 0.746 97 Q CB 1.937 30.236 28.738 -0.730 0.000 1.237 97 Q HN 0.396 nan 8.270 nan 0.000 0.475 98 D N 1.745 122.261 120.400 0.193 0.000 2.325 98 D HA 0.049 4.683 4.640 -0.011 0.000 0.251 98 D C 0.487 176.996 176.300 0.348 0.000 1.196 98 D CA 0.304 54.517 54.000 0.356 0.000 0.866 98 D CB 1.275 42.263 40.800 0.314 0.000 1.101 98 D HN 0.650 nan 8.370 nan 0.000 0.476 99 T N 0.981 115.703 114.554 0.281 0.000 2.978 99 T HA -0.049 4.295 4.350 -0.011 0.000 0.248 99 T C 1.937 176.697 174.700 0.100 0.000 1.018 99 T CA -0.272 61.982 62.100 0.256 0.000 1.026 99 T CB 0.037 69.023 68.868 0.196 0.000 1.032 99 T HN 0.251 nan 8.240 nan 0.000 0.485 100 L N 3.097 124.355 121.223 0.059 0.000 2.127 100 L HA -0.130 4.204 4.340 -0.011 0.000 0.211 100 L C 2.637 179.382 176.870 -0.207 0.000 1.089 100 L CA 1.930 56.761 54.840 -0.015 0.000 0.757 100 L CB -0.857 41.229 42.059 0.045 0.000 0.899 100 L HN 0.563 nan 8.230 nan 0.000 0.434 101 H N -2.348 116.329 119.070 -0.655 0.000 2.518 101 H HA -0.205 4.345 4.556 -0.009 0.000 0.294 101 H C 1.402 176.344 175.328 -0.643 0.000 1.083 101 H CA 1.734 57.026 56.048 -1.260 0.000 1.264 101 H CB -0.911 28.068 29.762 -1.305 0.000 1.370 101 H HN 0.542 nan 8.280 nan 0.000 0.560 102 H N 1.241 119.862 119.070 -0.749 0.000 2.546 102 H HA 0.067 4.617 4.556 -0.010 0.000 0.277 102 H C 1.309 176.490 175.328 -0.245 0.000 1.004 102 H CA 0.695 56.436 56.048 -0.511 0.000 1.231 102 H CB 0.309 29.819 29.762 -0.420 0.000 1.382 102 H HN 0.499 nan 8.280 nan 0.000 0.580 103 K N 0.202 120.542 120.400 -0.099 0.000 2.374 103 K HA 0.249 4.563 4.320 -0.011 0.000 0.196 103 K C 0.936 177.536 176.600 -0.000 0.000 1.023 103 K CA -0.110 56.164 56.287 -0.022 0.000 1.103 103 K CB 0.899 33.403 32.500 0.007 0.000 0.848 103 K HN 0.040 nan 8.250 nan 0.000 0.528 104 A N 1.839 124.642 122.820 -0.029 0.000 2.386 104 A HA 0.117 4.431 4.320 -0.011 0.000 0.246 104 A C -0.321 177.268 177.584 0.010 0.000 1.089 104 A CA 0.023 52.083 52.037 0.039 0.000 0.790 104 A CB 0.237 19.281 19.000 0.074 0.000 1.042 104 A HN 0.129 nan 8.150 nan 0.000 0.497 105 K N 0.604 121.007 120.400 0.005 0.000 2.227 105 K HA 0.344 4.657 4.320 -0.011 0.000 0.280 105 K C 0.592 177.191 176.600 -0.002 0.000 1.041 105 K CA 0.206 56.493 56.287 -0.001 0.000 0.905 105 K CB 1.178 33.673 32.500 -0.008 0.000 1.068 105 K HN 0.747 nan 8.250 nan 0.000 0.470 106 G N 3.868 112.670 108.800 0.004 0.000 2.843 106 G HA2 0.088 4.041 3.960 -0.011 0.000 0.275 106 G HA3 0.088 4.041 3.960 -0.011 0.000 0.275 106 G C 0.679 175.584 174.900 0.008 0.000 0.709 106 G CA 0.021 45.126 45.100 0.008 0.000 2.089 106 G HN 0.801 nan 8.290 nan 0.000 0.571 107 I N -1.496 119.077 120.570 0.006 0.000 4.240 107 I HA 0.421 4.585 4.170 -0.011 0.000 0.331 107 I C 0.294 176.421 176.117 0.016 0.000 1.381 107 I CA -0.478 60.827 61.300 0.008 0.000 1.136 107 I CB 0.229 38.232 38.000 0.006 0.000 1.137 107 I HN -0.041 nan 8.210 nan 0.000 0.411 108 L N 2.327 123.562 121.223 0.020 0.000 2.439 108 L HA 0.214 4.548 4.340 -0.011 0.000 0.269 108 L C 1.301 178.190 176.870 0.033 0.000 1.179 108 L CA -0.078 54.780 54.840 0.030 0.000 0.828 108 L CB 1.085 43.167 42.059 0.039 0.000 1.106 108 L HN 0.287 nan 8.230 nan 0.000 0.467 109 T N -2.658 111.919 114.554 0.038 0.000 3.324 109 T HA 0.128 4.472 4.350 -0.011 0.000 0.250 109 T C 0.287 175.008 174.700 0.035 0.000 1.059 109 T CA -0.438 61.684 62.100 0.036 0.000 0.951 109 T CB -0.676 68.217 68.868 0.041 0.000 1.030 109 T HN 0.402 nan 8.240 nan 0.000 0.576 110 C N 3.388 122.709 119.300 0.035 0.000 2.307 110 C HA 0.717 5.171 4.460 -0.011 0.000 0.340 110 C C 0.894 175.900 174.990 0.027 0.000 1.275 110 C CA -1.155 57.883 59.018 0.033 0.000 1.811 110 C CB -0.340 27.422 27.740 0.036 0.000 2.372 110 C HN 0.779 nan 8.230 nan 0.000 0.531 111 R N 1.727 122.241 120.500 0.023 0.000 2.930 111 R HA 0.579 4.913 4.340 -0.011 0.000 0.257 111 R C 0.958 177.268 176.300 0.016 0.000 1.107 111 R CA -0.136 55.976 56.100 0.019 0.000 0.999 111 R CB 0.657 30.968 30.300 0.018 0.000 1.209 111 R HN 0.556 nan 8.270 nan 0.000 0.486 112 S N 0.140 115.848 115.700 0.014 0.000 2.419 112 S HA -0.167 4.297 4.470 -0.011 0.000 0.235 112 S C 0.998 175.603 174.600 0.009 0.000 1.019 112 S CA 1.082 59.288 58.200 0.011 0.000 0.982 112 S CB -0.326 62.880 63.200 0.010 0.000 0.789 112 S HN 0.674 nan 8.310 nan 0.000 0.490 113 K N 1.342 121.748 120.400 0.010 0.000 2.404 113 K HA 0.195 4.509 4.320 -0.011 0.000 0.194 113 K C -0.047 176.559 176.600 0.010 0.000 1.023 113 K CA 0.427 56.719 56.287 0.009 0.000 1.094 113 K CB 0.351 32.857 32.500 0.010 0.000 0.841 113 K HN 0.574 nan 8.250 nan 0.000 0.523 114 S N -0.753 114.954 115.700 0.013 0.000 2.583 114 S HA 0.180 4.643 4.470 -0.011 0.000 0.294 114 S C -1.136 173.475 174.600 0.018 0.000 1.121 114 S CA -1.266 56.943 58.200 0.015 0.000 0.910 114 S CB 0.816 64.026 63.200 0.017 0.000 1.102 114 S HN 0.155 nan 8.310 nan 0.000 0.451 115 C N 5.172 124.483 119.300 0.018 0.000 2.329 115 C HA 0.773 5.226 4.460 -0.011 0.000 0.329 115 C C 0.326 175.335 174.990 0.032 0.000 1.275 115 C CA -0.834 58.197 59.018 0.023 0.000 1.726 115 C CB -0.723 27.026 27.740 0.015 0.000 2.291 115 C HN 0.919 nan 8.230 nan 0.000 0.514 116 L N 4.991 126.239 121.223 0.042 0.000 3.186 116 L HA 0.442 4.776 4.340 -0.011 0.000 0.292 116 L C 1.278 178.191 176.870 0.071 0.000 1.303 116 L CA -0.123 54.749 54.840 0.053 0.000 0.940 116 L CB -0.336 41.753 42.059 0.051 0.000 1.358 116 L HN 0.798 nan 8.230 nan 0.000 0.581 117 G N 0.593 109.438 108.800 0.074 0.000 2.598 117 G HA2 -0.166 3.788 3.960 -0.011 0.000 0.215 117 G HA3 -0.166 3.788 3.960 -0.011 0.000 0.215 117 G C 1.373 176.354 174.900 0.135 0.000 1.131 117 G CA 0.973 46.132 45.100 0.099 0.000 0.785 117 G HN 0.571 nan 8.290 nan 0.000 0.539 118 S N -0.033 115.742 115.700 0.125 0.000 2.575 118 S HA 0.271 4.735 4.470 -0.011 0.000 0.215 118 S C 0.823 175.517 174.600 0.158 0.000 0.966 118 S CA -0.510 57.782 58.200 0.155 0.000 0.911 118 S CB 0.077 63.350 63.200 0.121 0.000 0.780 118 S HN 0.008 nan 8.310 nan 0.000 0.514 119 I N 2.817 123.465 120.570 0.131 0.000 2.581 119 I HA 0.095 4.259 4.170 -0.011 0.000 0.285 119 I C 1.523 177.737 176.117 0.162 0.000 1.129 119 I CA 0.139 61.512 61.300 0.122 0.000 1.397 119 I CB -0.241 37.816 38.000 0.095 0.000 1.399 119 I HN 0.377 nan 8.210 nan 0.000 0.537 120 M N 4.839 124.545 119.600 0.176 0.000 2.067 120 M HA -0.130 4.344 4.480 -0.011 0.000 0.260 120 M C 0.565 176.954 176.300 0.149 0.000 1.069 120 M CA 1.782 57.226 55.300 0.240 0.000 1.117 120 M CB 0.169 32.911 32.600 0.237 0.000 1.334 120 M HN 0.613 nan 8.290 nan 0.000 0.407 121 T N 2.217 116.801 114.554 0.051 0.000 3.390 121 T HA 0.383 4.727 4.350 -0.011 0.000 0.351 121 T C -2.374 172.367 174.700 0.069 0.000 1.759 121 T CA -1.227 60.847 62.100 -0.043 0.000 1.561 121 T CB 0.231 68.942 68.868 -0.262 0.000 1.011 121 T HN 0.306 nan 8.240 nan 0.000 0.689 122 P HA 0.301 nan 4.420 nan 0.000 0.272 122 P C 0.487 177.869 177.300 0.136 0.000 1.240 122 P CA -0.495 62.676 63.100 0.118 0.000 0.791 122 P CB 1.582 33.352 31.700 0.117 0.000 0.978 123 K N 0.018 120.476 120.400 0.096 0.000 2.366 123 K HA -0.023 4.290 4.320 -0.011 0.000 0.198 123 K C 1.962 178.623 176.600 0.102 0.000 1.044 123 K CA 1.058 57.399 56.287 0.090 0.000 0.973 123 K CB -0.111 32.420 32.500 0.052 0.000 0.767 123 K HN 0.490 nan 8.250 nan 0.000 0.475 124 S N 0.676 116.436 115.700 0.101 0.000 2.453 124 S HA -0.038 4.425 4.470 -0.011 0.000 0.231 124 S C 1.559 176.251 174.600 0.153 0.000 1.005 124 S CA 0.669 58.925 58.200 0.093 0.000 0.949 124 S CB -0.141 63.097 63.200 0.064 0.000 0.774 124 S HN 0.212 nan 8.310 nan 0.000 0.510 125 L N 1.262 122.609 121.223 0.207 0.000 2.700 125 L HA 0.291 4.625 4.340 -0.011 0.000 0.234 125 L C -0.163 176.972 176.870 0.443 0.000 1.156 125 L CA -0.027 54.983 54.840 0.283 0.000 0.946 125 L CB 0.097 42.266 42.059 0.184 0.000 1.216 125 L HN 0.171 nan 8.230 nan 0.000 0.493 126 T N 0.165 114.931 114.554 0.354 0.000 2.779 126 T HA 0.397 4.741 4.350 -0.011 0.000 0.280 126 T C -0.351 174.416 174.700 0.111 0.000 0.987 126 T CA -0.408 61.864 62.100 0.287 0.000 0.966 126 T CB 2.092 71.075 68.868 0.193 0.000 0.933 126 T HN -0.047 nan 8.240 nan 0.000 0.442 127 R N 2.134 122.661 120.500 0.045 0.000 2.275 127 R HA 0.608 4.941 4.340 -0.011 0.000 0.326 127 R C 0.489 176.758 176.300 -0.052 0.000 0.973 127 R CA -0.275 55.726 56.100 -0.164 0.000 0.854 127 R CB 0.302 30.369 30.300 -0.388 0.000 1.156 127 R HN 0.808 nan 8.270 nan 0.000 0.487 128 G N 3.278 112.045 108.800 -0.055 0.000 2.525 128 G HA2 0.398 4.351 3.960 -0.011 0.000 0.287 128 G HA3 0.398 4.351 3.960 -0.011 0.000 0.287 128 G C -2.088 172.783 174.900 -0.049 0.000 1.350 128 G CA -1.261 43.813 45.100 -0.043 0.000 1.039 128 G HN 0.477 nan 8.290 nan 0.000 0.513 129 P HA 0.239 nan 4.420 nan 0.000 0.268 129 P C -0.347 176.926 177.300 -0.046 0.000 1.208 129 P CA 0.155 63.227 63.100 -0.046 0.000 0.777 129 P CB 0.546 32.215 31.700 -0.052 0.000 0.875 130 R N 1.639 122.112 120.500 -0.045 0.000 2.750 130 R HA 0.210 4.544 4.340 -0.011 0.000 0.281 130 R C -0.010 176.260 176.300 -0.051 0.000 0.972 130 R CA -0.506 55.567 56.100 -0.045 0.000 0.912 130 R CB 1.727 32.001 30.300 -0.043 0.000 1.187 130 R HN 0.536 nan 8.270 nan 0.000 0.464 131 D N 0.727 121.099 120.400 -0.047 0.000 2.433 131 D HA 0.109 4.742 4.640 -0.011 0.000 0.211 131 D C -0.322 175.950 176.300 -0.047 0.000 1.114 131 D CA 0.121 54.089 54.000 -0.053 0.000 0.837 131 D CB 0.775 41.548 40.800 -0.045 0.000 0.984 131 D HN 0.281 nan 8.370 nan 0.000 0.505 132 K N 0.437 120.814 120.400 -0.038 0.000 2.556 132 K HA 0.425 4.739 4.320 -0.011 0.000 0.274 132 K C -2.960 173.626 176.600 -0.024 0.000 0.966 132 K CA -1.789 54.482 56.287 -0.027 0.000 0.865 132 K CB 2.583 35.071 32.500 -0.019 0.000 1.444 132 K HN -0.177 nan 8.250 nan 0.000 0.433 133 P HA 0.023 nan 4.420 nan 0.000 0.274 133 P C -0.555 176.738 177.300 -0.011 0.000 1.231 133 P CA -0.151 62.942 63.100 -0.011 0.000 0.790 133 P CB 0.332 32.033 31.700 0.001 0.000 0.951 134 T N 4.314 118.860 114.554 -0.014 0.000 2.831 134 T HA 0.099 4.442 4.350 -0.011 0.000 0.291 134 T C -2.017 172.684 174.700 0.002 0.000 0.981 134 T CA -0.165 61.930 62.100 -0.008 0.000 1.174 134 T CB -1.048 67.817 68.868 -0.006 0.000 0.929 134 T HN 0.349 nan 8.240 nan 0.000 0.532 135 P HA 0.051 nan 4.420 nan 0.000 0.263 135 P C -1.847 175.459 177.300 0.009 0.000 1.175 135 P CA -1.094 62.009 63.100 0.004 0.000 0.761 135 P CB 0.194 31.894 31.700 -0.000 0.000 0.794 136 P HA -0.187 nan 4.420 nan 0.000 0.216 136 P C 0.923 178.226 177.300 0.004 0.000 1.150 136 P CA 1.455 64.564 63.100 0.014 0.000 0.837 136 P CB 0.051 31.759 31.700 0.013 0.000 0.786 137 D N -1.007 119.394 120.400 0.001 0.000 2.178 137 D HA -0.154 4.480 4.640 -0.011 0.000 0.202 137 D C 1.918 178.216 176.300 -0.003 0.000 0.974 137 D CA 0.958 54.955 54.000 -0.004 0.000 0.841 137 D CB -0.284 40.513 40.800 -0.004 0.000 0.953 137 D HN 0.336 nan 8.370 nan 0.000 0.478 138 E N -0.100 120.101 120.200 0.001 0.000 2.158 138 E HA -0.118 4.226 4.350 -0.011 0.000 0.191 138 E C 2.035 178.642 176.600 0.011 0.000 0.982 138 E CA 0.278 56.681 56.400 0.004 0.000 0.823 138 E CB 0.082 29.783 29.700 0.002 0.000 0.766 138 E HN 0.117 nan 8.360 nan 0.000 0.468 139 L N 0.536 121.769 121.223 0.016 0.000 2.209 139 L HA 0.013 4.347 4.340 -0.011 0.000 0.207 139 L C 2.130 179.002 176.870 0.005 0.000 1.094 139 L CA 0.771 55.631 54.840 0.034 0.000 0.790 139 L CB -0.321 41.774 42.059 0.060 0.000 0.932 139 L HN 0.240 nan 8.230 nan 0.000 0.447 140 L N 1.305 122.515 121.223 -0.021 0.000 2.013 140 L HA -0.098 4.236 4.340 -0.011 0.000 0.212 140 L C -0.572 176.272 176.870 -0.045 0.000 1.073 140 L CA 2.270 57.076 54.840 -0.058 0.000 0.753 140 L CB -1.900 40.131 42.059 -0.046 0.000 0.890 140 L HN 0.240 nan 8.230 nan 0.000 0.432 141 P HA -0.225 nan 4.420 nan 0.000 0.216 141 P C 1.329 178.644 177.300 0.025 0.000 1.150 141 P CA 1.718 64.818 63.100 0.000 0.000 0.837 141 P CB -0.127 31.575 31.700 0.005 0.000 0.786 142 Q N -0.205 119.620 119.800 0.042 0.000 2.119 142 Q HA -0.053 4.281 4.340 -0.011 0.000 0.201 142 Q C 2.456 178.536 176.000 0.133 0.000 0.972 142 Q CA 1.491 57.350 55.803 0.093 0.000 0.847 142 Q CB -0.671 28.128 28.738 0.102 0.000 0.903 142 Q HN 0.199 nan 8.270 nan 0.000 0.433 143 A N 1.322 124.166 122.820 0.041 0.000 1.877 143 A HA -0.173 4.140 4.320 -0.011 0.000 0.216 143 A C 2.077 179.678 177.584 0.029 0.000 1.186 143 A CA 1.208 53.199 52.037 -0.076 0.000 0.620 143 A CB -0.656 18.012 19.000 -0.553 0.000 0.822 143 A HN 0.298 nan 8.150 nan 0.000 0.443 144 I N -0.694 119.873 120.570 -0.005 0.000 2.361 144 I HA -0.194 3.970 4.170 -0.011 0.000 0.251 144 I C 2.607 178.771 176.117 0.079 0.000 1.133 144 I CA 1.299 62.616 61.300 0.027 0.000 1.413 144 I CB -0.282 37.715 38.000 -0.005 0.000 1.073 144 I HN 0.345 nan 8.210 nan 0.000 0.424 145 E N 1.226 121.484 120.200 0.098 0.000 2.047 145 E HA -0.250 4.093 4.350 -0.011 0.000 0.191 145 E C 2.100 178.778 176.600 0.130 0.000 0.987 145 E CA 1.486 57.948 56.400 0.103 0.000 0.799 145 E CB -0.336 29.431 29.700 0.111 0.000 0.752 145 E HN 0.411 nan 8.360 nan 0.000 0.449 146 F N 1.164 121.181 119.950 0.112 0.000 2.065 146 F HA -0.255 4.265 4.527 -0.012 0.000 0.298 146 F C 2.295 178.185 175.800 0.149 0.000 1.112 146 F CA 1.656 59.753 58.000 0.161 0.000 1.212 146 F CB -0.595 38.530 39.000 0.208 0.000 0.975 146 F HN -0.135 nan 8.300 nan 0.000 0.476 147 V N 1.144 121.061 119.914 0.006 0.000 2.324 147 V HA -0.382 3.732 4.120 -0.011 0.000 0.250 147 V C 2.251 178.328 176.094 -0.027 0.000 1.060 147 V CA 2.276 64.581 62.300 0.009 0.000 1.042 147 V CB -0.939 31.004 31.823 0.201 0.000 0.650 147 V HN 0.401 nan 8.190 nan 0.000 0.450 148 N N -0.156 118.566 118.700 0.037 0.000 2.120 148 N HA -0.208 4.526 4.740 -0.011 0.000 0.188 148 N C 1.897 177.310 175.510 -0.163 0.000 1.024 148 N CA 1.631 54.714 53.050 0.054 0.000 0.852 148 N CB -0.413 38.136 38.487 0.103 0.000 1.003 148 N HN 0.638 nan 8.380 nan 0.000 0.424 149 Q N -0.542 119.144 119.800 -0.190 0.000 2.084 149 Q HA -0.194 4.139 4.340 -0.011 0.000 0.202 149 Q C 1.956 177.668 176.000 -0.480 0.000 0.978 149 Q CA 1.262 56.946 55.803 -0.199 0.000 0.844 149 Q CB -0.139 28.573 28.738 -0.044 0.000 0.898 149 Q HN 0.518 nan 8.270 nan 0.000 0.426 150 Y N -0.577 119.113 120.300 -1.016 0.000 2.220 150 Y HA -0.218 4.325 4.550 -0.012 0.000 0.291 150 Y C 1.359 176.383 175.900 -1.460 0.000 1.129 150 Y CA 1.597 58.729 58.100 -1.614 0.000 1.161 150 Y CB -0.281 37.237 38.460 -1.570 0.000 0.997 150 Y HN 0.143 nan 8.280 nan 0.000 0.522 151 Y N -0.116 119.491 120.300 -1.154 0.000 2.439 151 Y HA 0.042 4.586 4.550 -0.010 0.000 0.292 151 Y C 2.544 177.739 175.900 -1.175 0.000 1.130 151 Y CA 1.103 58.311 58.100 -1.486 0.000 1.254 151 Y CB -0.561 37.081 38.460 -1.364 0.000 1.000 151 Y HN 0.237 nan 8.280 nan 0.000 0.554 152 G N -1.199 107.204 108.800 -0.661 0.000 2.572 152 G HA2 -0.198 3.755 3.960 -0.011 0.000 0.216 152 G HA3 -0.198 3.755 3.960 -0.011 0.000 0.216 152 G C 1.739 176.426 174.900 -0.355 0.000 1.133 152 G CA 0.912 45.791 45.100 -0.368 0.000 0.791 152 G HN 0.442 nan 8.290 nan 0.000 0.538 153 S N 0.101 115.474 115.700 -0.544 0.000 2.515 153 S HA 0.179 4.642 4.470 -0.011 0.000 0.231 153 S C 0.566 175.094 174.600 -0.121 0.000 0.987 153 S CA -0.315 57.720 58.200 -0.275 0.000 0.936 153 S CB -0.345 62.744 63.200 -0.186 0.000 0.766 153 S HN -0.016 nan 8.310 nan 0.000 0.528 154 F N 2.911 122.694 119.950 -0.278 0.000 2.495 154 F HA 0.414 4.936 4.527 -0.009 0.000 0.365 154 F C 1.517 177.251 175.800 -0.109 0.000 1.090 154 F CA -1.636 56.240 58.000 -0.207 0.000 1.235 154 F CB 0.421 39.288 39.000 -0.221 0.000 1.119 154 F HN -0.006 nan 8.300 nan 0.000 0.562 155 K N 1.497 121.968 120.400 0.118 0.000 2.288 155 K HA -0.074 4.240 4.320 -0.011 0.000 0.201 155 K C 0.337 176.970 176.600 0.054 0.000 1.048 155 K CA 0.695 57.016 56.287 0.057 0.000 0.956 155 K CB -0.128 32.389 32.500 0.028 0.000 0.746 155 K HN 0.584 nan 8.250 nan 0.000 0.461 156 E N 1.210 121.450 120.200 0.067 0.000 2.173 156 E HA 0.396 4.740 4.350 -0.011 0.000 0.249 156 E C -0.721 175.957 176.600 0.130 0.000 0.923 156 E CA -0.579 55.847 56.400 0.044 0.000 0.754 156 E CB 0.571 30.248 29.700 -0.038 0.000 1.177 156 E HN -0.014 nan 8.360 nan 0.000 0.430 157 A N 3.727 126.628 122.820 0.135 0.000 2.511 157 A HA 0.129 4.442 4.320 -0.011 0.000 0.242 157 A C 0.123 177.827 177.584 0.199 0.000 1.069 157 A CA -0.086 52.060 52.037 0.182 0.000 0.763 157 A CB 0.132 19.196 19.000 0.106 0.000 1.001 157 A HN 0.497 nan 8.150 nan 0.000 0.498 158 K N 3.938 124.527 120.400 0.315 0.000 2.762 158 K HA 0.178 4.491 4.320 -0.011 0.000 0.180 158 K C 1.019 177.756 176.600 0.227 0.000 1.067 158 K CA -0.534 55.912 56.287 0.266 0.000 0.973 158 K CB 0.548 33.253 32.500 0.342 0.000 1.290 158 K HN 0.729 nan 8.250 nan 0.000 0.604 159 I N -1.276 119.383 120.570 0.147 0.000 2.194 159 I HA -0.295 3.869 4.170 -0.011 0.000 0.246 159 I C 1.109 177.246 176.117 0.032 0.000 1.093 159 I CA 1.751 63.108 61.300 0.096 0.000 1.355 159 I CB -0.724 37.304 38.000 0.047 0.000 1.046 159 I HN 0.286 nan 8.210 nan 0.000 0.413 160 E N 1.724 121.945 120.200 0.035 0.000 2.031 160 E HA -0.173 4.171 4.350 -0.011 0.000 0.193 160 E C 2.206 178.805 176.600 -0.002 0.000 0.994 160 E CA 1.706 58.112 56.400 0.009 0.000 0.800 160 E CB -0.351 29.362 29.700 0.023 0.000 0.752 160 E HN 0.627 nan 8.360 nan 0.000 0.447 161 E N -0.326 119.902 120.200 0.047 0.000 2.204 161 E HA -0.227 4.117 4.350 -0.011 0.000 0.195 161 E C 1.999 178.460 176.600 -0.232 0.000 0.990 161 E CA 0.914 57.346 56.400 0.054 0.000 0.821 161 E CB -0.197 29.672 29.700 0.282 0.000 0.750 161 E HN 0.478 nan 8.360 nan 0.000 0.477 162 H N 0.910 119.638 119.070 -0.570 0.000 2.256 162 H HA -0.088 4.462 4.556 -0.009 0.000 0.299 162 H C 2.359 177.380 175.328 -0.512 0.000 1.071 162 H CA 1.105 56.545 56.048 -1.012 0.000 1.280 162 H CB 0.042 29.456 29.762 -0.579 0.000 1.370 162 H HN 0.048 nan 8.280 nan 0.000 0.490 163 L N 0.434 121.511 121.223 -0.243 0.000 2.021 163 L HA -0.274 4.060 4.340 -0.011 0.000 0.215 163 L C 3.050 179.839 176.870 -0.136 0.000 1.074 163 L CA 1.144 55.848 54.840 -0.227 0.000 0.760 163 L CB -0.688 41.275 42.059 -0.160 0.000 0.889 163 L HN 0.466 nan 8.230 nan 0.000 0.433 164 A N 0.137 122.898 122.820 -0.098 0.000 1.892 164 A HA -0.311 4.003 4.320 -0.011 0.000 0.218 164 A C 2.312 179.881 177.584 -0.024 0.000 1.188 164 A CA 2.301 54.311 52.037 -0.045 0.000 0.631 164 A CB -0.597 18.395 19.000 -0.013 0.000 0.822 164 A HN 0.347 nan 8.150 nan 0.000 0.447 165 R N -0.400 120.079 120.500 -0.034 0.000 2.148 165 R HA -0.025 4.308 4.340 -0.011 0.000 0.227 165 R C 1.695 178.016 176.300 0.034 0.000 1.103 165 R CA 1.715 57.844 56.100 0.048 0.000 0.983 165 R CB -0.832 29.564 30.300 0.160 0.000 0.874 165 R HN 0.295 nan 8.270 nan 0.000 0.451 166 V N 0.257 120.161 119.914 -0.016 0.000 2.323 166 V HA -0.142 3.972 4.120 -0.011 0.000 0.244 166 V C 1.960 178.031 176.094 -0.038 0.000 1.041 166 V CA 2.012 64.296 62.300 -0.028 0.000 1.025 166 V CB -0.453 31.324 31.823 -0.076 0.000 0.656 166 V HN 0.278 nan 8.190 nan 0.000 0.451 167 E N 0.387 120.562 120.200 -0.042 0.000 2.085 167 E HA -0.169 4.174 4.350 -0.011 0.000 0.194 167 E C 2.231 178.822 176.600 -0.013 0.000 0.994 167 E CA 1.564 57.944 56.400 -0.032 0.000 0.801 167 E CB -0.522 29.159 29.700 -0.032 0.000 0.743 167 E HN 0.570 nan 8.360 nan 0.000 0.453 168 A N 0.002 122.825 122.820 0.004 0.000 1.855 168 A HA -0.143 4.171 4.320 -0.011 0.000 0.215 168 A C 2.466 180.066 177.584 0.026 0.000 1.191 168 A CA 1.430 53.482 52.037 0.025 0.000 0.613 168 A CB -0.782 18.247 19.000 0.050 0.000 0.829 168 A HN 0.163 nan 8.150 nan 0.000 0.442 169 V N -0.047 119.877 119.914 0.016 0.000 2.407 169 V HA -0.230 3.884 4.120 -0.011 0.000 0.248 169 V C 2.745 178.794 176.094 -0.074 0.000 1.055 169 V CA 2.458 64.739 62.300 -0.033 0.000 1.049 169 V CB -1.089 30.659 31.823 -0.124 0.000 0.662 169 V HN 0.641 nan 8.190 nan 0.000 0.455 170 T N -0.460 114.059 114.554 -0.058 0.000 2.643 170 T HA -0.220 4.124 4.350 -0.011 0.000 0.264 170 T C 2.028 176.714 174.700 -0.024 0.000 1.045 170 T CA 1.827 63.896 62.100 -0.053 0.000 1.155 170 T CB -0.256 68.586 68.868 -0.044 0.000 0.863 170 T HN 0.275 nan 8.240 nan 0.000 0.420 171 K N 1.449 121.843 120.400 -0.010 0.000 2.152 171 K HA -0.097 4.216 4.320 -0.011 0.000 0.206 171 K C 2.134 178.743 176.600 0.015 0.000 1.048 171 K CA 1.596 57.885 56.287 0.003 0.000 0.933 171 K CB -0.300 32.204 32.500 0.007 0.000 0.721 171 K HN 0.501 nan 8.250 nan 0.000 0.447 172 E N -0.352 119.864 120.200 0.027 0.000 2.107 172 E HA -0.105 4.239 4.350 -0.011 0.000 0.191 172 E C 1.814 178.450 176.600 0.059 0.000 0.982 172 E CA 1.142 57.574 56.400 0.053 0.000 0.809 172 E CB -0.042 29.712 29.700 0.091 0.000 0.756 172 E HN 0.392 nan 8.360 nan 0.000 0.459 173 I N 0.792 121.385 120.570 0.039 0.000 2.406 173 I HA -0.164 4.000 4.170 -0.011 0.000 0.249 173 I C 2.601 178.732 176.117 0.024 0.000 1.122 173 I CA 0.879 62.204 61.300 0.041 0.000 1.431 173 I CB -0.289 37.709 38.000 -0.004 0.000 1.087 173 I HN 0.221 nan 8.210 nan 0.000 0.424 174 E N 0.846 121.052 120.200 0.010 0.000 2.058 174 E HA -0.226 4.118 4.350 -0.011 0.000 0.194 174 E C 2.012 178.620 176.600 0.013 0.000 0.997 174 E CA 2.002 58.406 56.400 0.006 0.000 0.801 174 E CB 0.103 29.803 29.700 0.000 0.000 0.746 174 E HN 0.373 nan 8.360 nan 0.000 0.450 175 T N -0.821 113.744 114.554 0.018 0.000 2.851 175 T HA -0.092 4.252 4.350 -0.011 0.000 0.262 175 T C 1.869 176.584 174.700 0.025 0.000 1.043 175 T CA 1.740 63.852 62.100 0.021 0.000 1.140 175 T CB -0.121 68.761 68.868 0.022 0.000 0.872 175 T HN 0.383 nan 8.240 nan 0.000 0.446 176 T N -1.916 112.658 114.554 0.034 0.000 3.010 176 T HA 0.452 4.795 4.350 -0.011 0.000 0.257 176 T C 1.724 176.446 174.700 0.037 0.000 1.020 176 T CA 0.837 62.958 62.100 0.035 0.000 0.938 176 T CB 0.306 69.198 68.868 0.041 0.000 1.049 176 T HN 0.466 nan 8.240 nan 0.000 0.522 177 G N 0.274 109.098 108.800 0.039 0.000 2.179 177 G HA2 -0.212 3.742 3.960 -0.011 0.000 0.260 177 G HA3 -0.212 3.742 3.960 -0.011 0.000 0.260 177 G C 0.226 175.161 174.900 0.058 0.000 0.977 177 G CA 0.724 45.847 45.100 0.039 0.000 0.641 177 G HN 1.096 nan 8.290 nan 0.000 0.533 178 T N -1.611 112.996 114.554 0.087 0.000 2.648 178 T HA 0.691 5.034 4.350 -0.011 0.000 0.304 178 T C -1.430 173.411 174.700 0.235 0.000 1.312 178 T CA 0.505 62.691 62.100 0.142 0.000 1.023 178 T CB 1.298 70.195 68.868 0.048 0.000 1.612 178 T HN 1.659 nan 8.240 nan 0.000 0.487 179 Y N -0.221 120.067 120.300 -0.020 0.000 2.705 179 Y HA 0.866 5.412 4.550 -0.007 0.000 0.332 179 Y C -1.365 174.528 175.900 -0.013 0.000 1.221 179 Y CA -1.226 56.871 58.100 -0.005 0.000 1.059 179 Y CB 1.062 39.529 38.460 0.012 0.000 1.298 179 Y HN 0.646 nan 8.280 nan 0.000 0.459 180 Q N 1.138 120.893 119.800 -0.075 0.000 2.353 180 Q HA 0.598 4.932 4.340 -0.011 0.000 0.268 180 Q C -1.745 174.196 176.000 -0.099 0.000 1.045 180 Q CA -0.707 55.008 55.803 -0.147 0.000 0.811 180 Q CB 1.842 30.563 28.738 -0.029 0.000 1.305 180 Q HN 0.737 nan 8.270 nan 0.000 0.447 181 L N 2.062 123.203 121.223 -0.136 0.000 2.395 181 L HA 0.404 4.738 4.340 -0.011 0.000 0.269 181 L C 0.542 177.407 176.870 -0.009 0.000 1.133 181 L CA 0.262 55.066 54.840 -0.059 0.000 0.812 181 L CB 0.917 42.915 42.059 -0.101 0.000 1.125 181 L HN 0.893 nan 8.230 nan 0.000 0.452 182 T N -0.785 113.772 114.554 0.006 0.000 2.813 182 T HA 0.297 4.641 4.350 -0.011 0.000 0.297 182 T C 1.365 176.059 174.700 -0.010 0.000 1.036 182 T CA -0.151 61.952 62.100 0.005 0.000 1.044 182 T CB 0.734 69.606 68.868 0.008 0.000 0.993 182 T HN 0.683 nan 8.240 nan 0.000 0.535 183 G N 0.026 108.827 108.800 0.001 0.000 2.422 183 G HA2 -0.195 3.759 3.960 -0.011 0.000 0.218 183 G HA3 -0.195 3.759 3.960 -0.011 0.000 0.218 183 G C 1.175 176.087 174.900 0.021 0.000 1.146 183 G CA 0.932 46.029 45.100 -0.005 0.000 0.769 183 G HN 0.882 nan 8.290 nan 0.000 0.547 184 D N -0.042 120.391 120.400 0.054 0.000 2.224 184 D HA -0.020 4.614 4.640 -0.011 0.000 0.205 184 D C 2.368 178.793 176.300 0.209 0.000 0.965 184 D CA 0.816 54.898 54.000 0.138 0.000 0.852 184 D CB -0.013 40.901 40.800 0.191 0.000 0.947 184 D HN 0.459 nan 8.370 nan 0.000 0.494 185 E N -0.638 119.581 120.200 0.032 0.000 2.107 185 E HA -0.104 4.240 4.350 -0.011 0.000 0.191 185 E C 1.877 178.601 176.600 0.208 0.000 0.982 185 E CA 0.268 56.688 56.400 0.034 0.000 0.809 185 E CB 0.035 29.676 29.700 -0.098 0.000 0.756 185 E HN 0.250 nan 8.360 nan 0.000 0.459 186 L N 1.037 122.289 121.223 0.049 0.000 2.056 186 L HA -0.117 4.217 4.340 -0.011 0.000 0.207 186 L C 1.946 178.822 176.870 0.011 0.000 1.078 186 L CA 1.401 56.211 54.840 -0.051 0.000 0.749 186 L CB -0.157 41.820 42.059 -0.136 0.000 0.901 186 L HN 0.086 nan 8.230 nan 0.000 0.433 187 I N -1.283 119.332 120.570 0.074 0.000 2.142 187 I HA -0.327 3.837 4.170 -0.011 0.000 0.240 187 I C 2.359 178.588 176.117 0.187 0.000 1.078 187 I CA 1.806 63.158 61.300 0.087 0.000 1.343 187 I CB -0.500 37.553 38.000 0.089 0.000 1.046 187 I HN 0.319 nan 8.210 nan 0.000 0.405 188 F N 1.903 121.966 119.950 0.189 0.000 2.065 188 F HA -0.326 4.194 4.527 -0.011 0.000 0.298 188 F C 2.463 178.410 175.800 0.245 0.000 1.112 188 F CA 1.744 59.903 58.000 0.265 0.000 1.212 188 F CB -0.465 38.789 39.000 0.424 0.000 0.975 188 F HN 0.028 nan 8.300 nan 0.000 0.476 189 A N -0.062 122.944 122.820 0.309 0.000 1.908 189 A HA -0.222 4.092 4.320 -0.011 0.000 0.218 189 A C 2.252 179.775 177.584 -0.102 0.000 1.181 189 A CA 2.665 54.772 52.037 0.117 0.000 0.627 189 A CB -1.665 17.398 19.000 0.105 0.000 0.818 189 A HN 0.592 nan 8.150 nan 0.000 0.445 190 T N -1.996 112.516 114.554 -0.071 0.000 2.821 190 T HA -0.087 4.257 4.350 -0.011 0.000 0.267 190 T C 1.847 176.583 174.700 0.059 0.000 1.046 190 T CA 1.510 63.582 62.100 -0.047 0.000 1.139 190 T CB -0.237 68.610 68.868 -0.035 0.000 0.871 190 T HN 0.513 nan 8.240 nan 0.000 0.454 191 K N 0.518 120.972 120.400 0.091 0.000 2.062 191 K HA -0.016 4.298 4.320 -0.011 0.000 0.205 191 K C 2.666 179.352 176.600 0.142 0.000 1.051 191 K CA 1.204 57.659 56.287 0.280 0.000 0.941 191 K CB -0.191 32.500 32.500 0.319 0.000 0.719 191 K HN 0.229 nan 8.250 nan 0.000 0.440 192 Q N 0.842 120.533 119.800 -0.181 0.000 2.084 192 Q HA -0.073 4.261 4.340 -0.011 0.000 0.202 192 Q C 1.782 177.611 176.000 -0.285 0.000 0.978 192 Q CA 1.811 57.365 55.803 -0.416 0.000 0.844 192 Q CB -0.216 28.080 28.738 -0.737 0.000 0.898 192 Q HN 0.322 nan 8.270 nan 0.000 0.426 193 A N -0.902 121.764 122.820 -0.255 0.000 2.067 193 A HA -0.151 4.163 4.320 -0.011 0.000 0.219 193 A C 1.719 179.196 177.584 -0.179 0.000 1.158 193 A CA 1.187 52.985 52.037 -0.398 0.000 0.661 193 A CB -0.954 17.524 19.000 -0.869 0.000 0.801 193 A HN 0.684 nan 8.150 nan 0.000 0.452 194 W N 1.071 122.276 121.300 -0.159 0.000 2.407 194 W HA -0.057 4.596 4.660 -0.011 0.000 0.305 194 W C 2.206 178.594 176.519 -0.219 0.000 1.196 194 W CA 1.257 58.541 57.345 -0.101 0.000 1.311 194 W CB -0.665 28.755 29.460 -0.066 0.000 1.135 194 W HN 0.318 nan 8.180 nan 0.000 0.514 195 R N 0.010 120.347 120.500 -0.272 0.000 2.103 195 R HA -0.197 4.136 4.340 -0.011 0.000 0.242 195 R C 1.468 177.612 176.300 -0.261 0.000 1.142 195 R CA 1.743 57.538 56.100 -0.508 0.000 0.960 195 R CB -0.801 28.990 30.300 -0.847 0.000 0.858 195 R HN 0.096 nan 8.270 nan 0.000 0.439 196 N N 0.428 118.995 118.700 -0.221 0.000 2.515 196 N HA 0.012 4.746 4.740 -0.011 0.000 0.191 196 N C -0.523 174.908 175.510 -0.132 0.000 1.182 196 N CA 0.385 53.351 53.050 -0.140 0.000 0.879 196 N CB 0.392 38.842 38.487 -0.061 0.000 0.984 196 N HN 0.163 nan 8.380 nan 0.000 0.453 197 A N 1.228 123.960 122.820 -0.147 0.000 2.527 197 A HA 0.376 4.690 4.320 -0.011 0.000 0.313 197 A C -1.430 176.099 177.584 -0.092 0.000 1.410 197 A CA -1.182 50.733 52.037 -0.204 0.000 1.060 197 A CB 0.626 19.564 19.000 -0.103 0.000 1.137 197 A HN -0.022 nan 8.150 nan 0.000 0.542 198 P HA -0.071 nan 4.420 nan 0.000 0.221 198 P C 1.015 178.308 177.300 -0.013 0.000 1.150 198 P CA 0.970 64.053 63.100 -0.029 0.000 0.800 198 P CB 0.200 31.882 31.700 -0.030 0.000 0.787 199 R N -1.861 118.594 120.500 -0.074 0.000 2.334 199 R HA 0.174 4.507 4.340 -0.011 0.000 0.220 199 R C 0.110 176.474 176.300 0.107 0.000 0.917 199 R CA -0.115 55.983 56.100 -0.003 0.000 1.073 199 R CB -0.509 29.611 30.300 -0.299 0.000 1.056 199 R HN 0.175 nan 8.270 nan 0.000 0.506 200 C N 0.802 120.139 119.300 0.061 0.000 2.255 200 C HA 0.334 4.787 4.460 -0.011 0.000 0.326 200 C C 1.734 176.780 174.990 0.093 0.000 1.258 200 C CA -0.843 58.236 59.018 0.103 0.000 1.676 200 C CB -0.494 27.337 27.740 0.152 0.000 2.314 200 C HN 0.572 nan 8.230 nan 0.000 0.509 201 I N 4.238 124.839 120.570 0.050 0.000 3.059 201 I HA 0.139 4.303 4.170 -0.011 0.000 0.270 201 I C 1.971 178.201 176.117 0.188 0.000 1.238 201 I CA 1.255 62.583 61.300 0.047 0.000 1.478 201 I CB 0.133 38.107 38.000 -0.044 0.000 1.097 201 I HN 0.931 nan 8.210 nan 0.000 0.455 202 G N -0.029 108.845 108.800 0.124 0.000 3.181 202 G HA2 -0.038 3.916 3.960 -0.011 0.000 0.219 202 G HA3 -0.038 3.916 3.960 -0.011 0.000 0.219 202 G C 1.369 176.211 174.900 -0.097 0.000 1.182 202 G CA -0.314 44.832 45.100 0.077 0.000 0.791 202 G HN 0.277 nan 8.290 nan 0.000 0.537 203 R N -0.264 120.049 120.500 -0.312 0.000 2.303 203 R HA 0.017 4.351 4.340 -0.011 0.000 0.225 203 R C 2.036 177.663 176.300 -1.122 0.000 1.114 203 R CA 0.406 55.898 56.100 -1.013 0.000 1.007 203 R CB -0.235 29.302 30.300 -1.272 0.000 0.861 203 R HN 0.447 nan 8.270 nan 0.000 0.471 204 I N 0.753 120.952 120.570 -0.619 0.000 2.567 204 I HA -0.248 3.916 4.170 -0.011 0.000 0.257 204 I C 1.512 177.454 176.117 -0.291 0.000 1.184 204 I CA 1.181 62.314 61.300 -0.278 0.000 1.451 204 I CB 0.137 38.119 38.000 -0.030 0.000 1.089 204 I HN 0.183 nan 8.210 nan 0.000 0.441 205 Q N 0.550 120.106 119.800 -0.406 0.000 2.472 205 Q HA -0.156 4.177 4.340 -0.011 0.000 0.208 205 Q C 1.699 177.253 176.000 -0.744 0.000 0.958 205 Q CA 0.726 56.310 55.803 -0.366 0.000 0.932 205 Q CB -0.375 28.318 28.738 -0.075 0.000 1.007 205 Q HN 0.789 nan 8.270 nan 0.000 0.508 206 W N 1.283 121.732 121.300 -1.418 0.000 2.285 206 W HA -0.261 4.393 4.660 -0.010 0.000 0.290 206 W C 1.085 177.363 176.519 -0.402 0.000 1.217 206 W CA 1.574 58.079 57.345 -1.401 0.000 1.207 206 W CB -1.178 27.590 29.460 -1.152 0.000 1.136 206 W HN 0.207 nan 8.180 nan 0.000 0.546 207 S N 0.017 115.114 115.700 -1.006 0.000 2.575 207 S HA 0.074 4.538 4.470 -0.011 0.000 0.215 207 S C 0.124 174.539 174.600 -0.307 0.000 0.966 207 S CA -0.178 57.524 58.200 -0.831 0.000 0.911 207 S CB -0.903 61.647 63.200 -1.084 0.000 0.780 207 S HN 0.370 nan 8.310 nan 0.000 0.514 208 N N 1.367 119.990 118.700 -0.129 0.000 2.816 208 N HA 0.577 5.311 4.740 -0.011 0.000 0.236 208 N C -1.668 173.938 175.510 0.160 0.000 1.076 208 N CA -0.437 52.626 53.050 0.020 0.000 0.902 208 N CB 1.342 39.864 38.487 0.058 0.000 1.149 208 N HN 0.206 nan 8.380 nan 0.000 0.506 209 L N 1.698 122.974 121.223 0.088 0.000 2.505 209 L HA 0.339 4.672 4.340 -0.011 0.000 0.266 209 L C -1.239 175.575 176.870 -0.095 0.000 0.954 209 L CA -0.684 54.181 54.840 0.041 0.000 0.852 209 L CB 2.022 44.146 42.059 0.109 0.000 1.282 209 L HN 0.281 nan 8.230 nan 0.000 0.403 210 Q N 3.293 122.973 119.800 -0.200 0.000 2.294 210 Q HA 0.573 4.906 4.340 -0.011 0.000 0.257 210 Q C -1.676 173.948 176.000 -0.627 0.000 0.955 210 Q CA -0.188 55.326 55.803 -0.482 0.000 0.936 210 Q CB 1.404 29.673 28.738 -0.781 0.000 1.188 210 Q HN 0.511 nan 8.270 nan 0.000 0.420 211 V N 6.110 125.676 119.914 -0.579 0.000 2.347 211 V HA 0.391 4.505 4.120 -0.011 0.000 0.280 211 V C -0.765 174.999 176.094 -0.551 0.000 1.021 211 V CA -0.553 61.466 62.300 -0.469 0.000 0.847 211 V CB 0.291 31.964 31.823 -0.250 0.000 0.990 211 V HN 0.658 nan 8.190 nan 0.000 0.444 212 F N 2.787 122.562 119.950 -0.292 0.000 2.350 212 F HA 0.347 4.868 4.527 -0.011 0.000 0.365 212 F C 0.646 176.287 175.800 -0.266 0.000 1.122 212 F CA -0.983 56.859 58.000 -0.262 0.000 1.139 212 F CB 0.807 39.644 39.000 -0.270 0.000 1.220 212 F HN 0.424 nan 8.300 nan 0.000 0.499 213 D N 3.354 123.733 120.400 -0.036 0.000 2.338 213 D HA 0.336 4.970 4.640 -0.011 0.000 0.255 213 D C 0.122 176.342 176.300 -0.134 0.000 1.237 213 D CA 0.295 54.232 54.000 -0.105 0.000 0.883 213 D CB 1.090 41.851 40.800 -0.064 0.000 1.087 213 D HN 0.633 nan 8.370 nan 0.000 0.485 214 A N 4.445 127.091 122.820 -0.290 0.000 2.616 214 A HA 0.171 4.485 4.320 -0.011 0.000 0.294 214 A C 1.475 178.920 177.584 -0.232 0.000 1.091 214 A CA -0.411 51.365 52.037 -0.436 0.000 0.971 214 A CB 0.186 18.570 19.000 -1.027 0.000 1.222 214 A HN 0.487 nan 8.150 nan 0.000 0.521 215 R N -0.170 120.245 120.500 -0.141 0.000 2.328 215 R HA 0.023 4.356 4.340 -0.011 0.000 0.207 215 R C 1.138 177.371 176.300 -0.112 0.000 1.056 215 R CA 1.283 57.328 56.100 -0.092 0.000 1.016 215 R CB 0.036 30.325 30.300 -0.017 0.000 0.872 215 R HN 0.364 nan 8.270 nan 0.000 0.471 216 S N -0.601 115.057 115.700 -0.070 0.000 2.540 216 S HA 0.057 4.521 4.470 -0.011 0.000 0.218 216 S C 0.503 175.098 174.600 -0.008 0.000 0.977 216 S CA -0.491 57.690 58.200 -0.032 0.000 0.918 216 S CB 0.127 63.337 63.200 0.016 0.000 0.806 216 S HN 0.379 nan 8.310 nan 0.000 0.496 217 C N 3.194 122.479 119.300 -0.026 0.000 2.665 217 C HA 0.277 4.731 4.460 -0.011 0.000 0.416 217 C C 1.791 176.829 174.990 0.082 0.000 1.305 217 C CA 0.754 59.827 59.018 0.092 0.000 1.903 217 C CB 0.117 27.951 27.740 0.157 0.000 2.704 217 C HN 0.592 nan 8.230 nan 0.000 0.629 218 S N 1.246 117.112 115.700 0.276 0.000 2.684 218 S HA 0.220 4.684 4.470 -0.011 0.000 0.268 218 S C 0.114 174.903 174.600 0.315 0.000 1.075 218 S CA 0.397 58.825 58.200 0.381 0.000 1.184 218 S CB -0.073 63.248 63.200 0.202 0.000 1.129 218 S HN 1.069 nan 8.310 nan 0.000 0.630 219 T N -1.859 112.837 114.554 0.237 0.000 2.901 219 T HA 0.851 5.195 4.350 -0.011 0.000 0.293 219 T C 1.184 175.927 174.700 0.071 0.000 1.084 219 T CA -0.190 61.978 62.100 0.113 0.000 1.008 219 T CB 1.328 70.251 68.868 0.092 0.000 1.170 219 T HN 0.238 nan 8.240 nan 0.000 0.509 220 A N 1.119 123.963 122.820 0.039 0.000 1.877 220 A HA -0.007 4.306 4.320 -0.011 0.000 0.216 220 A C 2.325 179.826 177.584 -0.138 0.000 1.186 220 A CA 1.941 53.995 52.037 0.029 0.000 0.620 220 A CB -0.966 18.170 19.000 0.226 0.000 0.822 220 A HN 0.883 nan 8.150 nan 0.000 0.443 221 R N 0.345 120.853 120.500 0.014 0.000 2.120 221 R HA -0.142 4.192 4.340 -0.011 0.000 0.234 221 R C 1.975 178.236 176.300 -0.065 0.000 1.123 221 R CA 2.091 58.120 56.100 -0.118 0.000 0.975 221 R CB -0.534 29.869 30.300 0.172 0.000 0.866 221 R HN 0.698 nan 8.270 nan 0.000 0.446 222 E N -0.499 119.713 120.200 0.019 0.000 2.152 222 E HA -0.168 4.176 4.350 -0.011 0.000 0.192 222 E C 1.784 178.480 176.600 0.161 0.000 0.983 222 E CA 1.219 57.659 56.400 0.066 0.000 0.818 222 E CB -0.025 29.755 29.700 0.133 0.000 0.758 222 E HN 0.407 nan 8.360 nan 0.000 0.467 223 M N -0.063 119.599 119.600 0.104 0.000 2.067 223 M HA -0.133 4.341 4.480 -0.011 0.000 0.260 223 M C 2.174 178.552 176.300 0.129 0.000 1.069 223 M CA 1.376 56.741 55.300 0.109 0.000 1.117 223 M CB -0.419 31.997 32.600 -0.307 0.000 1.334 223 M HN 0.194 nan 8.290 nan 0.000 0.407 224 F N 1.606 121.366 119.950 -0.317 0.000 2.154 224 F HA -0.250 4.271 4.527 -0.011 0.000 0.301 224 F C 1.989 177.679 175.800 -0.184 0.000 1.087 224 F CA 1.921 59.688 58.000 -0.388 0.000 1.274 224 F CB -0.345 38.077 39.000 -0.964 0.000 1.009 224 F HN 0.191 nan 8.300 nan 0.000 0.485 225 E N -1.340 118.695 120.200 -0.275 0.000 2.107 225 E HA -0.201 4.142 4.350 -0.011 0.000 0.191 225 E C 1.941 178.374 176.600 -0.279 0.000 0.982 225 E CA 1.389 57.572 56.400 -0.361 0.000 0.809 225 E CB -0.352 29.199 29.700 -0.248 0.000 0.756 225 E HN 0.615 nan 8.360 nan 0.000 0.459 226 H N 0.073 119.071 119.070 -0.119 0.000 2.423 226 H HA -0.013 4.537 4.556 -0.010 0.000 0.297 226 H C 1.994 177.237 175.328 -0.141 0.000 1.075 226 H CA 1.022 57.003 56.048 -0.111 0.000 1.342 226 H CB 0.194 30.006 29.762 0.084 0.000 1.395 226 H HN 0.081 nan 8.280 nan 0.000 0.530 227 I N -0.600 120.010 120.570 0.066 0.000 2.233 227 I HA -0.289 3.874 4.170 -0.011 0.000 0.243 227 I C 2.131 178.164 176.117 -0.139 0.000 1.093 227 I CA 0.644 61.939 61.300 -0.010 0.000 1.380 227 I CB -0.169 37.854 38.000 0.038 0.000 1.067 227 I HN 0.383 nan 8.210 nan 0.000 0.413 228 C N 0.448 119.569 119.300 -0.299 0.000 2.413 228 C HA -0.197 4.256 4.460 -0.011 0.000 0.276 228 C C 2.985 177.856 174.990 -0.197 0.000 1.248 228 C CA 1.232 60.060 59.018 -0.315 0.000 1.742 228 C CB -1.228 26.194 27.740 -0.530 0.000 2.017 228 C HN 0.467 nan 8.230 nan 0.000 0.481 229 R N -0.084 120.277 120.500 -0.232 0.000 2.081 229 R HA -0.177 4.157 4.340 -0.011 0.000 0.235 229 R C 2.198 178.371 176.300 -0.211 0.000 1.131 229 R CA 2.049 58.001 56.100 -0.246 0.000 0.960 229 R CB -0.693 29.376 30.300 -0.385 0.000 0.856 229 R HN 0.800 nan 8.270 nan 0.000 0.436 230 H N -0.539 118.307 119.070 -0.374 0.000 2.270 230 H HA -0.109 4.441 4.556 -0.011 0.000 0.299 230 H C 1.931 177.294 175.328 0.060 0.000 1.077 230 H CA 1.918 57.867 56.048 -0.165 0.000 1.294 230 H CB 0.042 29.738 29.762 -0.110 0.000 1.371 230 H HN 0.079 nan 8.280 nan 0.000 0.491 231 V N 1.126 121.133 119.914 0.155 0.000 2.324 231 V HA -0.305 3.809 4.120 -0.011 0.000 0.250 231 V C 2.655 178.820 176.094 0.118 0.000 1.060 231 V CA 2.309 64.662 62.300 0.089 0.000 1.042 231 V CB -0.666 31.136 31.823 -0.036 0.000 0.650 231 V HN 0.441 nan 8.190 nan 0.000 0.450 232 R N -1.121 119.428 120.500 0.082 0.000 2.066 232 R HA -0.205 4.128 4.340 -0.011 0.000 0.232 232 R C 2.429 178.801 176.300 0.121 0.000 1.131 232 R CA 2.028 58.168 56.100 0.067 0.000 0.955 232 R CB -0.483 29.830 30.300 0.022 0.000 0.851 232 R HN 0.608 nan 8.270 nan 0.000 0.432 233 Y N 0.952 121.306 120.300 0.090 0.000 2.145 233 Y HA -0.189 4.354 4.550 -0.010 0.000 0.286 233 Y C 2.278 178.265 175.900 0.146 0.000 1.145 233 Y CA 2.168 60.355 58.100 0.145 0.000 1.148 233 Y CB -0.357 38.279 38.460 0.294 0.000 0.981 233 Y HN 0.041 nan 8.280 nan 0.000 0.507 234 S N -0.451 115.425 115.700 0.294 0.000 2.355 234 S HA -0.186 4.277 4.470 -0.011 0.000 0.222 234 S C 1.889 176.543 174.600 0.089 0.000 1.031 234 S CA 1.784 60.113 58.200 0.215 0.000 0.993 234 S CB -0.725 62.712 63.200 0.394 0.000 0.859 234 S HN 0.601 nan 8.310 nan 0.000 0.453 235 T N 1.987 116.599 114.554 0.097 0.000 2.803 235 T HA -0.116 4.228 4.350 -0.011 0.000 0.269 235 T C 1.058 175.766 174.700 0.014 0.000 1.052 235 T CA 1.035 63.175 62.100 0.068 0.000 1.136 235 T CB -0.681 68.222 68.868 0.058 0.000 0.864 235 T HN 0.443 nan 8.240 nan 0.000 0.467 236 N N 1.871 120.545 118.700 -0.042 0.000 2.685 236 N HA -0.275 4.458 4.740 -0.011 0.000 0.251 236 N C -0.327 175.156 175.510 -0.046 0.000 1.020 236 N CA 0.783 53.782 53.050 -0.084 0.000 0.762 236 N CB -1.692 36.703 38.487 -0.153 0.000 0.958 236 N HN 0.478 nan 8.380 nan 0.000 0.539 237 N N -2.627 116.059 118.700 -0.023 0.000 2.776 237 N HA -0.190 4.544 4.740 -0.011 0.000 0.250 237 N C 0.962 176.460 175.510 -0.021 0.000 1.112 237 N CA 1.645 54.682 53.050 -0.021 0.000 0.733 237 N CB -1.446 37.025 38.487 -0.027 0.000 1.097 237 N HN 0.958 nan 8.380 nan 0.000 0.558 238 G N -0.003 108.793 108.800 -0.007 0.000 2.232 238 G HA2 -0.318 3.636 3.960 -0.011 0.000 0.226 238 G HA3 -0.318 3.636 3.960 -0.011 0.000 0.226 238 G C 0.064 174.965 174.900 0.001 0.000 0.996 238 G CA 0.297 45.395 45.100 -0.003 0.000 0.626 238 G HN 0.496 nan 8.290 nan 0.000 0.509 239 N N 1.932 120.620 118.700 -0.020 0.000 3.331 239 N HA 0.286 5.020 4.740 -0.011 0.000 0.303 239 N C 0.973 176.473 175.510 -0.016 0.000 1.326 239 N CA -0.681 52.344 53.050 -0.043 0.000 1.207 239 N CB -0.574 37.878 38.487 -0.059 0.000 1.477 239 N HN 0.351 nan 8.380 nan 0.000 0.541 240 I N 1.204 121.805 120.570 0.051 0.000 3.076 240 I HA -0.208 3.956 4.170 -0.011 0.000 0.321 240 I C 0.920 177.193 176.117 0.259 0.000 1.216 240 I CA 1.013 62.419 61.300 0.177 0.000 1.460 240 I CB -0.451 37.748 38.000 0.331 0.000 1.313 240 I HN 0.300 nan 8.210 nan 0.000 0.546 241 R N 3.648 124.286 120.500 0.230 0.000 2.807 241 R HA 0.518 4.852 4.340 -0.011 0.000 0.276 241 R C -0.589 175.876 176.300 0.274 0.000 0.979 241 R CA -0.773 55.481 56.100 0.257 0.000 0.928 241 R CB 2.079 32.391 30.300 0.021 0.000 1.191 241 R HN 0.570 nan 8.270 nan 0.000 0.471 242 S N 0.795 116.624 115.700 0.215 0.000 2.499 242 S HA 0.710 5.174 4.470 -0.011 0.000 0.279 242 S C -0.747 173.867 174.600 0.023 0.000 1.219 242 S CA -0.610 57.609 58.200 0.032 0.000 1.062 242 S CB 1.662 64.769 63.200 -0.155 0.000 0.978 242 S HN 0.674 nan 8.310 nan 0.000 0.489 243 A N 2.697 125.486 122.820 -0.051 0.000 2.606 243 A HA 0.847 5.160 4.320 -0.011 0.000 0.293 243 A C -1.381 176.066 177.584 -0.229 0.000 1.082 243 A CA -0.660 51.227 52.037 -0.251 0.000 0.685 243 A CB 1.193 19.955 19.000 -0.396 0.000 1.284 243 A HN 0.818 nan 8.150 nan 0.000 0.408 244 I N 0.520 120.932 120.570 -0.264 0.000 2.619 244 I HA 0.595 4.758 4.170 -0.011 0.000 0.292 244 I C -1.096 174.979 176.117 -0.070 0.000 1.100 244 I CA -0.208 61.061 61.300 -0.052 0.000 1.043 244 I CB 2.389 40.360 38.000 -0.049 0.000 1.239 244 I HN 0.597 nan 8.210 nan 0.000 0.420 245 T N 6.472 121.047 114.554 0.035 0.000 2.772 245 T HA 0.391 4.734 4.350 -0.011 0.000 0.288 245 T C -0.530 173.929 174.700 -0.402 0.000 0.994 245 T CA -0.341 61.666 62.100 -0.155 0.000 0.951 245 T CB 1.248 70.015 68.868 -0.169 0.000 0.933 245 T HN 0.266 nan 8.240 nan 0.000 0.447 246 V N 5.377 125.040 119.914 -0.418 0.000 2.364 246 V HA 0.432 4.545 4.120 -0.011 0.000 0.272 246 V C -0.154 175.676 176.094 -0.440 0.000 1.036 246 V CA -0.716 61.355 62.300 -0.382 0.000 0.880 246 V CB -0.305 31.281 31.823 -0.394 0.000 0.991 246 V HN 0.675 nan 8.190 nan 0.000 0.460 247 F N 5.480 125.417 119.950 -0.022 0.000 2.291 247 F HA 0.508 5.029 4.527 -0.011 0.000 0.305 247 F C -1.805 173.956 175.800 -0.065 0.000 1.171 247 F CA -2.314 55.628 58.000 -0.097 0.000 1.090 247 F CB 0.055 39.052 39.000 -0.005 0.000 1.436 247 F HN 0.286 nan 8.300 nan 0.000 0.509 248 P HA 0.064 nan 4.420 nan 0.000 0.269 248 P C -1.202 176.110 177.300 0.019 0.000 1.209 248 P CA -0.393 62.613 63.100 -0.157 0.000 0.776 248 P CB 0.277 31.641 31.700 -0.560 0.000 0.876 249 Q N 2.562 122.287 119.800 -0.125 0.000 2.421 249 Q HA 0.105 4.438 4.340 -0.011 0.000 0.255 249 Q C 0.095 175.961 176.000 -0.223 0.000 1.013 249 Q CA -0.509 54.972 55.803 -0.536 0.000 0.895 249 Q CB 0.710 28.823 28.738 -1.043 0.000 1.271 249 Q HN 0.316 nan 8.270 nan 0.000 0.460 250 R N 1.472 121.855 120.500 -0.195 0.000 2.585 250 R HA -0.023 4.311 4.340 -0.011 0.000 0.275 250 R C 0.147 176.413 176.300 -0.056 0.000 1.018 250 R CA 0.789 56.859 56.100 -0.050 0.000 1.072 250 R CB 0.526 30.797 30.300 -0.050 0.000 0.953 250 R HN 0.963 nan 8.270 nan 0.000 0.419 251 S N 2.569 118.287 115.700 0.031 0.000 2.460 251 S HA -0.050 4.414 4.470 -0.011 0.000 0.185 251 S C 0.801 175.417 174.600 0.028 0.000 0.908 251 S CA 0.375 58.599 58.200 0.040 0.000 0.894 251 S CB -0.128 63.147 63.200 0.125 0.000 0.855 251 S HN 0.831 nan 8.310 nan 0.000 0.574 252 D N -0.178 120.249 120.400 0.046 0.000 2.369 252 D HA 0.351 4.984 4.640 -0.011 0.000 0.211 252 D C 1.343 177.611 176.300 -0.054 0.000 1.077 252 D CA 0.609 54.605 54.000 -0.006 0.000 0.842 252 D CB -0.079 40.720 40.800 -0.003 0.000 0.947 252 D HN 0.816 nan 8.370 nan 0.000 0.509 253 G N 0.812 109.583 108.800 -0.049 0.000 2.195 253 G HA2 -0.347 3.607 3.960 -0.011 0.000 0.246 253 G HA3 -0.347 3.607 3.960 -0.011 0.000 0.246 253 G C 1.003 175.836 174.900 -0.112 0.000 0.984 253 G CA 0.339 45.403 45.100 -0.060 0.000 0.633 253 G HN 0.433 nan 8.290 nan 0.000 0.525 254 K N -0.275 119.977 120.400 -0.246 0.000 2.358 254 K HA 0.277 4.591 4.320 -0.011 0.000 0.197 254 K C 0.426 176.717 176.600 -0.516 0.000 1.025 254 K CA 0.217 56.268 56.287 -0.394 0.000 1.104 254 K CB 0.288 32.486 32.500 -0.503 0.000 0.855 254 K HN 0.623 nan 8.250 nan 0.000 0.531 255 H N 0.358 119.438 119.070 0.016 0.000 2.674 255 H HA 0.168 4.718 4.556 -0.011 0.000 0.235 255 H C -1.147 174.210 175.328 0.049 0.000 1.330 255 H CA -0.795 55.259 56.048 0.011 0.000 1.052 255 H CB 0.456 30.254 29.762 0.060 0.000 1.954 255 H HN -0.026 nan 8.280 nan 0.000 0.566 256 D N 0.739 121.197 120.400 0.096 0.000 2.350 256 D HA 0.057 4.691 4.640 -0.011 0.000 0.249 256 D C -0.161 176.177 176.300 0.064 0.000 1.119 256 D CA 0.141 54.233 54.000 0.154 0.000 0.886 256 D CB 0.867 41.735 40.800 0.114 0.000 1.195 256 D HN 0.175 nan 8.370 nan 0.000 0.437 257 F N 2.130 122.125 119.950 0.074 0.000 2.391 257 F HA 0.391 4.911 4.527 -0.011 0.000 0.359 257 F C 0.925 176.754 175.800 0.049 0.000 1.122 257 F CA -0.383 57.620 58.000 0.006 0.000 1.120 257 F CB 0.808 39.800 39.000 -0.012 0.000 1.142 257 F HN -0.088 nan 8.300 nan 0.000 0.483 258 R N 1.675 122.257 120.500 0.136 0.000 2.698 258 R HA 0.657 4.991 4.340 -0.011 0.000 0.275 258 R C -1.737 174.691 176.300 0.213 0.000 1.001 258 R CA -1.090 55.139 56.100 0.214 0.000 0.896 258 R CB 2.691 33.152 30.300 0.268 0.000 1.218 258 R HN 0.287 nan 8.270 nan 0.000 0.462 259 V N 2.303 122.356 119.914 0.232 0.000 2.370 259 V HA 0.121 4.235 4.120 -0.011 0.000 0.279 259 V C 0.061 176.384 176.094 0.381 0.000 1.029 259 V CA -0.370 62.064 62.300 0.224 0.000 0.870 259 V CB 1.107 33.018 31.823 0.146 0.000 0.984 259 V HN 0.798 nan 8.190 nan 0.000 0.451 260 W N 2.248 123.631 121.300 0.139 0.000 2.467 260 W HA 0.033 4.687 4.660 -0.011 0.000 0.275 260 W C 1.005 177.673 176.519 0.248 0.000 1.239 260 W CA -0.390 57.127 57.345 0.287 0.000 1.266 260 W CB -0.722 29.018 29.460 0.468 0.000 1.112 260 W HN 0.530 nan 8.180 nan 0.000 0.576 261 N N 0.102 118.936 118.700 0.223 0.000 2.479 261 N HA 0.223 4.956 4.740 -0.011 0.000 0.257 261 N C 1.145 176.539 175.510 -0.194 0.000 1.232 261 N CA 0.749 53.602 53.050 -0.328 0.000 0.920 261 N CB 0.678 39.016 38.487 -0.250 0.000 1.105 261 N HN -0.057 nan 8.380 nan 0.000 0.444 262 A N 1.781 124.440 122.820 -0.268 0.000 1.930 262 A HA -0.090 4.224 4.320 -0.011 0.000 0.217 262 A C 0.439 177.933 177.584 -0.151 0.000 1.175 262 A CA 1.324 53.283 52.037 -0.131 0.000 0.627 262 A CB -0.083 18.871 19.000 -0.076 0.000 0.815 262 A HN 0.741 nan 8.150 nan 0.000 0.443 263 Q N -1.669 118.013 119.800 -0.195 0.000 2.413 263 Q HA 0.485 4.819 4.340 -0.011 0.000 0.276 263 Q C 0.078 175.936 176.000 -0.238 0.000 1.099 263 Q CA -0.945 54.735 55.803 -0.206 0.000 0.814 263 Q CB 1.702 30.342 28.738 -0.164 0.000 1.379 263 Q HN 0.120 nan 8.270 nan 0.000 0.436 264 L N 0.964 122.040 121.223 -0.245 0.000 1.989 264 L HA -0.023 4.310 4.340 -0.011 0.000 0.211 264 L C 0.498 177.203 176.870 -0.275 0.000 1.071 264 L CA 1.865 56.568 54.840 -0.228 0.000 0.749 264 L CB -0.083 41.822 42.059 -0.257 0.000 0.890 264 L HN 0.552 nan 8.230 nan 0.000 0.431 265 I N -1.242 119.078 120.570 -0.417 0.000 2.433 265 I HA 0.471 4.635 4.170 -0.011 0.000 0.292 265 I C -0.265 175.280 176.117 -0.953 0.000 1.001 265 I CA -0.785 60.122 61.300 -0.654 0.000 1.119 265 I CB 1.917 39.440 38.000 -0.795 0.000 1.289 265 I HN 0.004 nan 8.210 nan 0.000 0.438 266 R N 4.260 124.269 120.500 -0.819 0.000 2.687 266 R HA 0.431 4.765 4.340 -0.011 0.000 0.265 266 R C -2.044 174.012 176.300 -0.408 0.000 1.048 266 R CA -0.726 54.998 56.100 -0.626 0.000 0.884 266 R CB 1.066 31.199 30.300 -0.279 0.000 1.258 266 R HN 0.337 nan 8.270 nan 0.000 0.469 267 Y N 0.932 121.230 120.300 -0.004 0.000 2.354 267 Y HA 0.699 5.243 4.550 -0.010 0.000 0.322 267 Y C 0.813 176.740 175.900 0.045 0.000 1.253 267 Y CA -0.226 57.920 58.100 0.076 0.000 1.272 267 Y CB 1.317 39.912 38.460 0.224 0.000 1.255 267 Y HN 0.716 nan 8.280 nan 0.000 0.500 268 A N 0.661 123.600 122.820 0.200 0.000 2.302 268 A HA 0.702 5.016 4.320 -0.011 0.000 0.285 268 A C 0.280 177.727 177.584 -0.228 0.000 1.105 268 A CA 0.054 52.039 52.037 -0.086 0.000 0.816 268 A CB -0.007 18.881 19.000 -0.186 0.000 1.067 268 A HN 0.886 nan 8.150 nan 0.000 0.489 269 G N -0.068 108.520 108.800 -0.352 0.000 2.530 269 G HA2 0.566 4.519 3.960 -0.011 0.000 0.316 269 G HA3 0.566 4.519 3.960 -0.011 0.000 0.316 269 G C -1.446 173.218 174.900 -0.394 0.000 1.298 269 G CA -0.241 44.701 45.100 -0.262 0.000 0.948 269 G HN 0.494 nan 8.290 nan 0.000 0.486 270 Y N 0.735 121.092 120.300 0.094 0.000 2.328 270 Y HA 0.406 4.950 4.550 -0.010 0.000 0.336 270 Y C 0.362 176.315 175.900 0.088 0.000 0.960 270 Y CA -1.009 57.164 58.100 0.123 0.000 1.134 270 Y CB 2.369 40.952 38.460 0.205 0.000 1.166 270 Y HN 0.470 nan 8.280 nan 0.000 0.464 271 Q N 3.866 123.786 119.800 0.200 0.000 2.323 271 Q HA 0.301 4.635 4.340 -0.011 0.000 0.257 271 Q C -0.963 175.112 176.000 0.126 0.000 1.022 271 Q CA -0.192 55.686 55.803 0.125 0.000 0.919 271 Q CB 0.415 29.205 28.738 0.085 0.000 1.220 271 Q HN 0.467 nan 8.270 nan 0.000 0.427 272 M N 6.504 126.159 119.600 0.093 0.000 2.211 272 M HA 0.219 4.692 4.480 -0.011 0.000 0.356 272 M C -1.671 174.647 176.300 0.031 0.000 1.216 272 M CA -2.503 52.828 55.300 0.053 0.000 1.134 272 M CB 0.346 32.963 32.600 0.028 0.000 1.564 272 M HN 0.402 nan 8.290 nan 0.000 0.463 273 P HA -0.143 nan 4.420 nan 0.000 0.218 273 P C 0.172 177.472 177.300 -0.001 0.000 1.148 273 P CA 1.206 64.309 63.100 0.006 0.000 0.822 273 P CB 0.034 31.730 31.700 -0.006 0.000 0.784 274 D N -0.479 119.915 120.400 -0.009 0.000 2.652 274 D HA 0.080 4.713 4.640 -0.011 0.000 0.247 274 D C 0.658 176.957 176.300 -0.002 0.000 1.232 274 D CA 0.089 54.082 54.000 -0.012 0.000 0.863 274 D CB -1.230 39.555 40.800 -0.024 0.000 1.023 274 D HN 0.082 nan 8.370 nan 0.000 0.474 275 G N 1.311 110.115 108.800 0.006 0.000 2.296 275 G HA2 -0.101 3.852 3.960 -0.011 0.000 0.263 275 G HA3 -0.101 3.852 3.960 -0.011 0.000 0.263 275 G C 0.023 174.931 174.900 0.013 0.000 0.887 275 G CA 0.609 45.715 45.100 0.011 0.000 1.318 275 G HN 0.909 nan 8.290 nan 0.000 0.403 276 S N -0.352 115.360 115.700 0.021 0.000 2.688 276 S HA 0.676 5.140 4.470 -0.011 0.000 0.266 276 S C -0.899 173.724 174.600 0.038 0.000 1.061 276 S CA -0.978 57.236 58.200 0.024 0.000 0.844 276 S CB 1.337 64.548 63.200 0.017 0.000 1.103 276 S HN 1.010 nan 8.310 nan 0.000 0.471 277 I N 0.668 121.259 120.570 0.035 0.000 2.533 277 I HA 0.573 4.736 4.170 -0.011 0.000 0.290 277 I C -0.479 175.667 176.117 0.049 0.000 1.056 277 I CA -0.559 60.769 61.300 0.047 0.000 1.057 277 I CB 2.293 40.303 38.000 0.016 0.000 1.240 277 I HN 0.718 nan 8.210 nan 0.000 0.423 278 R N 4.073 124.645 120.500 0.121 0.000 2.387 278 R HA 0.728 5.061 4.340 -0.011 0.000 0.314 278 R C 0.073 176.469 176.300 0.160 0.000 0.958 278 R CA 0.495 56.685 56.100 0.149 0.000 0.846 278 R CB 1.403 31.840 30.300 0.230 0.000 1.147 278 R HN 0.903 nan 8.270 nan 0.000 0.447 279 G N 2.746 111.550 108.800 0.006 0.000 2.508 279 G HA2 -0.243 3.710 3.960 -0.011 0.000 0.220 279 G HA3 -0.243 3.710 3.960 -0.011 0.000 0.220 279 G C -1.323 173.397 174.900 -0.299 0.000 1.287 279 G CA -0.164 44.897 45.100 -0.066 0.000 0.916 279 G HN 0.653 nan 8.290 nan 0.000 0.574 280 D N 1.386 121.705 120.400 -0.134 0.000 2.352 280 D HA 0.507 5.141 4.640 -0.011 0.000 0.245 280 D C -0.895 175.361 176.300 -0.073 0.000 1.224 280 D CA -1.920 51.993 54.000 -0.144 0.000 0.879 280 D CB 1.238 42.226 40.800 0.315 0.000 1.057 280 D HN 0.001 nan 8.370 nan 0.000 0.491 281 P HA -0.090 nan 4.420 nan 0.000 0.219 281 P C 0.832 178.145 177.300 0.022 0.000 1.146 281 P CA 0.947 64.024 63.100 -0.037 0.000 0.808 281 P CB 0.266 31.940 31.700 -0.043 0.000 0.779 282 A N -0.957 121.898 122.820 0.058 0.000 2.172 282 A HA -0.110 4.204 4.320 -0.011 0.000 0.216 282 A C 1.596 179.238 177.584 0.097 0.000 1.154 282 A CA 1.402 53.495 52.037 0.093 0.000 0.701 282 A CB -1.202 17.878 19.000 0.133 0.000 0.789 282 A HN 0.250 nan 8.150 nan 0.000 0.465 283 N N -1.337 117.411 118.700 0.079 0.000 2.187 283 N HA 0.178 4.911 4.740 -0.011 0.000 0.212 283 N C 0.961 176.496 175.510 0.042 0.000 1.152 283 N CA 0.017 53.115 53.050 0.081 0.000 0.872 283 N CB 0.730 39.265 38.487 0.081 0.000 1.025 283 N HN 0.120 nan 8.380 nan 0.000 0.514 284 V N 1.313 121.235 119.914 0.014 0.000 2.278 284 V HA -0.297 3.817 4.120 -0.011 0.000 0.251 284 V C 2.417 178.507 176.094 -0.008 0.000 1.062 284 V CA 1.848 64.143 62.300 -0.010 0.000 1.038 284 V CB -0.299 31.532 31.823 0.014 0.000 0.646 284 V HN 0.478 nan 8.190 nan 0.000 0.447 285 E N -0.805 119.403 120.200 0.013 0.000 2.072 285 E HA -0.238 4.105 4.350 -0.011 0.000 0.191 285 E C 2.137 178.649 176.600 -0.146 0.000 0.985 285 E CA 1.520 57.899 56.400 -0.036 0.000 0.801 285 E CB -0.144 29.569 29.700 0.022 0.000 0.750 285 E HN 0.588 nan 8.360 nan 0.000 0.452 286 F N 1.366 121.172 119.950 -0.240 0.000 2.186 286 F HA -0.127 4.393 4.527 -0.011 0.000 0.299 286 F C 2.382 178.040 175.800 -0.238 0.000 1.090 286 F CA 1.670 59.461 58.000 -0.349 0.000 1.307 286 F CB -0.398 38.454 39.000 -0.246 0.000 1.019 286 F HN -0.047 nan 8.300 nan 0.000 0.489 287 T N -0.290 114.210 114.554 -0.089 0.000 2.720 287 T HA -0.269 4.075 4.350 -0.011 0.000 0.268 287 T C 1.774 176.415 174.700 -0.098 0.000 1.037 287 T CA 1.674 63.706 62.100 -0.114 0.000 1.144 287 T CB -0.339 68.450 68.868 -0.132 0.000 0.864 287 T HN 0.199 nan 8.240 nan 0.000 0.444 288 Q N 0.757 120.495 119.800 -0.104 0.000 2.124 288 Q HA -0.052 4.281 4.340 -0.011 0.000 0.202 288 Q C 2.110 178.016 176.000 -0.157 0.000 0.977 288 Q CA 1.130 56.888 55.803 -0.075 0.000 0.850 288 Q CB -0.733 27.967 28.738 -0.063 0.000 0.901 288 Q HN 0.470 nan 8.270 nan 0.000 0.429 289 L N -0.390 120.643 121.223 -0.318 0.000 2.017 289 L HA -0.170 4.164 4.340 -0.011 0.000 0.208 289 L C 2.133 178.815 176.870 -0.314 0.000 1.073 289 L CA 1.970 56.587 54.840 -0.372 0.000 0.745 289 L CB -1.187 40.486 42.059 -0.645 0.000 0.894 289 L HN 0.354 nan 8.230 nan 0.000 0.432 290 C N -0.019 119.036 119.300 -0.409 0.000 2.413 290 C HA -0.181 4.273 4.460 -0.011 0.000 0.276 290 C C 2.751 177.756 174.990 0.024 0.000 1.236 290 C CA 1.164 60.036 59.018 -0.244 0.000 1.735 290 C CB -1.067 26.471 27.740 -0.337 0.000 2.031 290 C HN 0.635 nan 8.230 nan 0.000 0.474 291 I N 1.070 121.703 120.570 0.105 0.000 2.264 291 I HA -0.221 3.943 4.170 -0.011 0.000 0.248 291 I C 1.964 178.086 176.117 0.007 0.000 1.111 291 I CA 1.573 62.940 61.300 0.111 0.000 1.382 291 I CB -0.580 37.474 38.000 0.091 0.000 1.060 291 I HN 0.387 nan 8.210 nan 0.000 0.418 292 D N 0.600 120.972 120.400 -0.047 0.000 2.224 292 D HA -0.016 4.617 4.640 -0.011 0.000 0.205 292 D C 1.900 178.145 176.300 -0.092 0.000 0.965 292 D CA 0.940 54.891 54.000 -0.081 0.000 0.852 292 D CB -0.002 40.730 40.800 -0.115 0.000 0.947 292 D HN 0.326 nan 8.370 nan 0.000 0.494 293 L N -0.262 120.911 121.223 -0.083 0.000 2.645 293 L HA 0.205 4.538 4.340 -0.011 0.000 0.234 293 L C 1.435 178.274 176.870 -0.053 0.000 1.165 293 L CA 0.238 55.030 54.840 -0.080 0.000 0.944 293 L CB -0.198 41.803 42.059 -0.096 0.000 1.149 293 L HN 0.117 nan 8.230 nan 0.000 0.446 294 G N -1.103 107.679 108.800 -0.028 0.000 2.213 294 G HA2 -0.315 3.638 3.960 -0.011 0.000 0.236 294 G HA3 -0.315 3.638 3.960 -0.011 0.000 0.236 294 G C 0.002 174.920 174.900 0.031 0.000 0.991 294 G CA -0.230 44.858 45.100 -0.020 0.000 0.629 294 G HN 0.371 nan 8.290 nan 0.000 0.517 295 W N 2.962 124.189 121.300 -0.122 0.000 2.223 295 W HA 0.527 5.181 4.660 -0.010 0.000 0.334 295 W C 0.738 177.204 176.519 -0.089 0.000 1.334 295 W CA 0.076 57.357 57.345 -0.106 0.000 1.246 295 W CB 0.553 29.949 29.460 -0.107 0.000 1.184 295 W HN 0.174 nan 8.180 nan 0.000 0.563 296 K N 8.889 128.818 120.400 -0.785 0.000 2.312 296 K HA 0.222 4.535 4.320 -0.011 0.000 0.287 296 K C -2.100 173.593 176.600 -1.512 0.000 1.062 296 K CA -1.622 54.175 56.287 -0.817 0.000 0.934 296 K CB 0.591 32.775 32.500 -0.527 0.000 1.027 296 K HN 0.202 nan 8.250 nan 0.000 0.478 297 P HA 0.040 nan 4.420 nan 0.000 0.271 297 P C -0.846 175.802 177.300 -1.085 0.000 1.216 297 P CA 0.009 62.364 63.100 -1.241 0.000 0.771 297 P CB 1.036 32.107 31.700 -1.049 0.000 0.864 298 K N 1.548 121.475 120.400 -0.789 0.000 2.335 298 K HA 0.064 4.378 4.320 -0.011 0.000 0.195 298 K C -0.308 176.111 176.600 -0.302 0.000 1.058 298 K CA 0.160 56.216 56.287 -0.385 0.000 0.988 298 K CB -0.187 32.253 32.500 -0.099 0.000 0.880 298 K HN 0.305 nan 8.250 nan 0.000 0.513 299 Y N -0.204 119.766 120.300 -0.550 0.000 3.661 299 Y HA -0.204 4.340 4.550 -0.011 0.000 0.224 299 Y C 0.433 176.173 175.900 -0.266 0.000 1.342 299 Y CA 0.436 58.054 58.100 -0.802 0.000 1.723 299 Y CB -2.133 36.001 38.460 -0.543 0.000 1.546 299 Y HN 0.198 nan 8.280 nan 0.000 0.631 300 G N -0.404 108.472 108.800 0.127 0.000 2.667 300 G HA2 0.619 4.572 3.960 -0.011 0.000 0.310 300 G HA3 0.619 4.572 3.960 -0.011 0.000 0.310 300 G C 0.574 175.596 174.900 0.204 0.000 1.259 300 G CA -0.940 44.263 45.100 0.171 0.000 1.019 300 G HN 0.223 nan 8.290 nan 0.000 0.496 301 R N -1.229 119.287 120.500 0.026 0.000 2.200 301 R HA 0.112 4.445 4.340 -0.011 0.000 0.208 301 R C -0.182 175.737 176.300 -0.635 0.000 1.033 301 R CA 0.853 56.786 56.100 -0.278 0.000 1.000 301 R CB 0.048 30.033 30.300 -0.525 0.000 0.906 301 R HN 0.365 nan 8.270 nan 0.000 0.462 302 F N 0.752 120.693 119.950 -0.014 0.000 2.577 302 F HA 0.265 4.786 4.527 -0.011 0.000 0.342 302 F C -0.830 174.949 175.800 -0.035 0.000 1.479 302 F CA -1.204 56.504 58.000 -0.487 0.000 1.110 302 F CB 0.655 39.137 39.000 -0.863 0.000 1.306 302 F HN -0.285 nan 8.300 nan 0.000 0.554 303 D N 1.628 122.245 120.400 0.362 0.000 2.313 303 D HA 0.230 4.864 4.640 -0.011 0.000 0.239 303 D C 0.090 176.663 176.300 0.456 0.000 1.142 303 D CA -0.019 54.245 54.000 0.440 0.000 0.847 303 D CB 2.381 43.503 40.800 0.537 0.000 1.082 303 D HN -0.037 nan 8.370 nan 0.000 0.480 304 V N 3.438 123.577 119.914 0.375 0.000 2.450 304 V HA 0.001 4.114 4.120 -0.011 0.000 0.281 304 V C 1.002 177.086 176.094 -0.017 0.000 1.019 304 V CA -0.505 61.881 62.300 0.143 0.000 1.062 304 V CB 0.533 32.389 31.823 0.055 0.000 0.979 304 V HN 0.335 nan 8.190 nan 0.000 0.477 305 V N 5.503 125.314 119.914 -0.171 0.000 2.963 305 V HA 0.359 4.472 4.120 -0.011 0.000 0.306 305 V C -1.517 174.336 176.094 -0.402 0.000 1.077 305 V CA -1.457 60.559 62.300 -0.475 0.000 1.124 305 V CB 0.203 31.849 31.823 -0.295 0.000 0.987 305 V HN 0.759 nan 8.190 nan 0.000 0.487 306 P HA 0.267 nan 4.420 nan 0.000 0.272 306 P C -0.438 176.790 177.300 -0.120 0.000 1.230 306 P CA -0.465 62.435 63.100 -0.334 0.000 0.788 306 P CB 0.832 32.247 31.700 -0.474 0.000 0.949 307 L N 1.360 122.578 121.223 -0.007 0.000 2.397 307 L HA 0.206 4.539 4.340 -0.011 0.000 0.271 307 L C 0.320 177.241 176.870 0.085 0.000 1.148 307 L CA -0.579 54.312 54.840 0.084 0.000 0.825 307 L CB 0.842 42.995 42.059 0.156 0.000 1.117 307 L HN 0.121 nan 8.230 nan 0.000 0.456 308 V N 5.566 125.557 119.914 0.129 0.000 2.284 308 V HA 0.319 4.433 4.120 -0.011 0.000 0.274 308 V C 0.085 176.122 176.094 -0.095 0.000 1.023 308 V CA -0.356 61.935 62.300 -0.015 0.000 0.808 308 V CB 1.129 32.992 31.823 0.067 0.000 1.035 308 V HN 0.479 nan 8.190 nan 0.000 0.445 309 L N 4.616 125.790 121.223 -0.082 0.000 2.289 309 L HA 0.604 4.938 4.340 -0.011 0.000 0.285 309 L C 0.036 176.741 176.870 -0.275 0.000 1.049 309 L CA -0.250 54.526 54.840 -0.106 0.000 0.804 309 L CB 1.478 43.545 42.059 0.013 0.000 1.195 309 L HN 0.602 nan 8.230 nan 0.000 0.428 310 Q N 2.986 122.616 119.800 -0.283 0.000 2.333 310 Q HA 0.707 5.040 4.340 -0.011 0.000 0.268 310 Q C -1.426 174.376 176.000 -0.329 0.000 1.007 310 Q CA -0.612 55.002 55.803 -0.316 0.000 0.810 310 Q CB 2.046 30.683 28.738 -0.168 0.000 1.264 310 Q HN 0.776 nan 8.270 nan 0.000 0.452 311 A N 4.062 126.634 122.820 -0.414 0.000 2.350 311 A HA 0.382 4.696 4.320 -0.011 0.000 0.324 311 A C 0.132 177.189 177.584 -0.878 0.000 1.118 311 A CA -0.475 51.100 52.037 -0.770 0.000 0.783 311 A CB 0.911 19.672 19.000 -0.398 0.000 1.236 311 A HN 1.102 nan 8.150 nan 0.000 0.457 312 N N 0.662 118.330 118.700 -1.719 0.000 2.710 312 N HA -0.268 4.465 4.740 -0.011 0.000 0.249 312 N C 1.053 176.442 175.510 -0.202 0.000 1.059 312 N CA 1.495 54.115 53.050 -0.716 0.000 0.720 312 N CB -0.622 37.684 38.487 -0.301 0.000 0.983 312 N HN 2.196 nan 8.380 nan 0.000 0.544 313 G N -0.685 107.986 108.800 -0.215 0.000 2.189 313 G HA2 -0.357 3.597 3.960 -0.011 0.000 0.267 313 G HA3 -0.357 3.597 3.960 -0.011 0.000 0.267 313 G C 0.308 175.206 174.900 -0.003 0.000 0.975 313 G CA 0.867 45.946 45.100 -0.036 0.000 0.644 313 G HN 0.613 nan 8.290 nan 0.000 0.537 314 R N 0.520 120.971 120.500 -0.082 0.000 2.649 314 R HA 0.371 4.705 4.340 -0.011 0.000 0.270 314 R C -0.101 176.136 176.300 -0.106 0.000 1.105 314 R CA -0.603 55.463 56.100 -0.055 0.000 1.193 314 R CB 0.237 30.483 30.300 -0.089 0.000 1.120 314 R HN 0.173 nan 8.270 nan 0.000 0.561 315 D N 2.512 122.858 120.400 -0.091 0.000 2.478 315 D HA 0.013 4.647 4.640 -0.011 0.000 0.234 315 D C -1.979 174.054 176.300 -0.446 0.000 1.154 315 D CA -0.529 53.289 54.000 -0.304 0.000 0.874 315 D CB 0.243 41.039 40.800 -0.006 0.000 1.198 315 D HN 0.231 nan 8.370 nan 0.000 0.455 316 P HA 0.195 nan 4.420 nan 0.000 0.277 316 P C -0.803 176.246 177.300 -0.417 0.000 1.240 316 P CA -0.371 62.278 63.100 -0.752 0.000 0.798 316 P CB 1.212 32.007 31.700 -1.508 0.000 0.979 317 E N 1.011 121.024 120.200 -0.312 0.000 2.238 317 E HA 0.407 4.751 4.350 -0.011 0.000 0.267 317 E C -0.790 175.551 176.600 -0.432 0.000 0.887 317 E CA -1.049 55.156 56.400 -0.325 0.000 0.769 317 E CB 1.340 30.865 29.700 -0.291 0.000 1.187 317 E HN 0.276 nan 8.360 nan 0.000 0.416 318 L N 2.884 123.782 121.223 -0.542 0.000 2.331 318 L HA 0.369 4.703 4.340 -0.011 0.000 0.278 318 L C -0.886 175.454 176.870 -0.883 0.000 1.106 318 L CA 0.502 55.041 54.840 -0.502 0.000 0.824 318 L CB -0.145 41.734 42.059 -0.301 0.000 1.142 318 L HN 0.436 nan 8.230 nan 0.000 0.443 319 F N 1.111 120.862 119.950 -0.332 0.000 2.578 319 F HA 0.450 4.970 4.527 -0.011 0.000 0.311 319 F C 0.145 175.732 175.800 -0.356 0.000 1.094 319 F CA -0.791 56.862 58.000 -0.579 0.000 0.923 319 F CB 1.768 40.081 39.000 -1.145 0.000 1.230 319 F HN 0.359 nan 8.300 nan 0.000 0.450 320 E N 3.492 123.643 120.200 -0.082 0.000 2.133 320 E HA 0.426 4.770 4.350 -0.011 0.000 0.274 320 E C -0.611 176.147 176.600 0.264 0.000 0.930 320 E CA -0.631 55.816 56.400 0.078 0.000 0.770 320 E CB 2.179 31.942 29.700 0.105 0.000 1.104 320 E HN 0.481 nan 8.360 nan 0.000 0.403 321 I N 5.308 126.040 120.570 0.270 0.000 2.683 321 I HA 0.015 4.178 4.170 -0.011 0.000 0.286 321 I C -1.744 174.489 176.117 0.193 0.000 1.175 321 I CA -1.511 59.957 61.300 0.281 0.000 1.429 321 I CB -0.095 37.976 38.000 0.118 0.000 1.371 321 I HN 0.188 nan 8.210 nan 0.000 0.569 322 P HA 0.081 nan 4.420 nan 0.000 0.263 322 P C -2.280 175.070 177.300 0.083 0.000 1.195 322 P CA -1.219 61.956 63.100 0.125 0.000 0.762 322 P CB 0.276 32.033 31.700 0.096 0.000 0.799 323 P HA -0.177 nan 4.420 nan 0.000 0.217 323 P C 0.823 178.156 177.300 0.054 0.000 1.148 323 P CA 1.491 64.635 63.100 0.075 0.000 0.828 323 P CB -0.050 31.699 31.700 0.081 0.000 0.783 324 D N -1.091 119.336 120.400 0.045 0.000 2.348 324 D HA -0.051 4.583 4.640 -0.011 0.000 0.216 324 D C 1.710 178.023 176.300 0.023 0.000 0.970 324 D CA 0.741 54.759 54.000 0.031 0.000 0.889 324 D CB -0.139 40.676 40.800 0.025 0.000 0.912 324 D HN 0.293 nan 8.370 nan 0.000 0.524 325 L N 0.769 122.005 121.223 0.023 0.000 2.477 325 L HA 0.051 4.385 4.340 -0.011 0.000 0.220 325 L C 0.541 177.419 176.870 0.013 0.000 1.106 325 L CA 0.207 55.053 54.840 0.010 0.000 0.851 325 L CB 0.605 42.660 42.059 -0.006 0.000 0.994 325 L HN -0.188 nan 8.230 nan 0.000 0.462 326 V N 2.226 122.153 119.914 0.023 0.000 2.284 326 V HA 0.108 4.222 4.120 -0.011 0.000 0.260 326 V C 0.135 176.254 176.094 0.041 0.000 1.084 326 V CA -0.503 61.810 62.300 0.023 0.000 0.894 326 V CB 0.897 32.734 31.823 0.024 0.000 1.119 326 V HN 0.056 nan 8.190 nan 0.000 0.484 327 L N 5.420 126.668 121.223 0.042 0.000 2.410 327 L HA 0.426 4.760 4.340 -0.011 0.000 0.273 327 L C 0.187 177.083 176.870 0.044 0.000 1.152 327 L CA 0.714 55.573 54.840 0.031 0.000 0.855 327 L CB 0.338 42.409 42.059 0.020 0.000 1.129 327 L HN 0.641 nan 8.230 nan 0.000 0.463 328 E N 3.229 123.435 120.200 0.010 0.000 2.336 328 E HA 0.633 4.976 4.350 -0.011 0.000 0.267 328 E C -1.487 175.047 176.600 -0.110 0.000 0.906 328 E CA -1.041 55.361 56.400 0.003 0.000 0.781 328 E CB 2.484 32.219 29.700 0.058 0.000 1.261 328 E HN 0.375 nan 8.360 nan 0.000 0.436 329 V N 1.503 121.323 119.914 -0.156 0.000 2.443 329 V HA 0.442 4.556 4.120 -0.011 0.000 0.293 329 V C -0.301 175.750 176.094 -0.072 0.000 1.021 329 V CA -0.812 61.348 62.300 -0.233 0.000 0.848 329 V CB 1.360 32.806 31.823 -0.630 0.000 0.998 329 V HN 0.800 nan 8.190 nan 0.000 0.424 330 A N 6.881 129.668 122.820 -0.054 0.000 2.440 330 A HA 0.655 4.969 4.320 -0.011 0.000 0.251 330 A C 0.119 177.739 177.584 0.060 0.000 1.089 330 A CA -0.289 51.743 52.037 -0.008 0.000 0.779 330 A CB 0.166 19.160 19.000 -0.010 0.000 1.022 330 A HN 0.697 nan 8.150 nan 0.000 0.492 331 M N 2.504 122.178 119.600 0.123 0.000 2.120 331 M HA 0.329 4.803 4.480 -0.011 0.000 0.354 331 M C -0.056 176.436 176.300 0.320 0.000 1.287 331 M CA 0.575 56.030 55.300 0.258 0.000 1.103 331 M CB -0.116 32.700 32.600 0.359 0.000 1.623 331 M HN 0.767 nan 8.290 nan 0.000 0.471 332 E N 0.817 121.191 120.200 0.289 0.000 2.367 332 E HA 0.451 4.795 4.350 -0.011 0.000 0.273 332 E C -1.483 175.189 176.600 0.119 0.000 0.903 332 E CA -0.784 55.779 56.400 0.272 0.000 0.764 332 E CB 2.541 32.359 29.700 0.197 0.000 1.252 332 E HN 0.621 nan 8.360 nan 0.000 0.446 333 H N 1.896 120.853 119.070 -0.190 0.000 2.469 333 H HA 0.259 4.808 4.556 -0.011 0.000 0.342 333 H C -1.777 173.240 175.328 -0.518 0.000 1.115 333 H CA -2.264 53.474 56.048 -0.517 0.000 1.204 333 H CB 1.505 30.800 29.762 -0.778 0.000 1.492 333 H HN 0.263 nan 8.280 nan 0.000 0.499 334 P HA -0.122 nan 4.420 nan 0.000 0.228 334 P C -0.007 177.098 177.300 -0.325 0.000 1.151 334 P CA 1.203 63.817 63.100 -0.809 0.000 0.770 334 P CB 0.346 31.463 31.700 -0.972 0.000 0.786 335 K N -3.008 117.303 120.400 -0.148 0.000 2.550 335 K HA 0.095 4.409 4.320 -0.011 0.000 0.205 335 K C 0.071 176.615 176.600 -0.094 0.000 1.429 335 K CA -0.260 55.947 56.287 -0.135 0.000 0.997 335 K CB -0.029 32.349 32.500 -0.203 0.000 1.328 335 K HN -0.155 nan 8.250 nan 0.000 0.546 336 Y N 3.938 124.141 120.300 -0.163 0.000 2.539 336 Y HA 0.155 4.699 4.550 -0.011 0.000 0.352 336 Y C 0.646 176.261 175.900 -0.476 0.000 1.004 336 Y CA -1.074 56.726 58.100 -0.500 0.000 1.278 336 Y CB 0.938 38.730 38.460 -1.114 0.000 1.136 336 Y HN 0.185 nan 8.280 nan 0.000 0.528 337 E N 2.492 122.646 120.200 -0.076 0.000 2.051 337 E HA -0.217 4.127 4.350 -0.011 0.000 0.192 337 E C 1.778 178.378 176.600 0.000 0.000 0.991 337 E CA 1.485 57.890 56.400 0.008 0.000 0.799 337 E CB -0.564 29.202 29.700 0.109 0.000 0.748 337 E HN 0.836 nan 8.360 nan 0.000 0.449 338 W N 0.403 121.799 121.300 0.160 0.000 2.538 338 W HA -0.036 4.617 4.660 -0.011 0.000 0.254 338 W C 1.138 177.731 176.519 0.125 0.000 1.249 338 W CA 0.029 57.435 57.345 0.101 0.000 1.253 338 W CB -0.956 28.525 29.460 0.036 0.000 1.130 338 W HN -0.027 nan 8.180 nan 0.000 0.618 339 F N 2.511 122.106 119.950 -0.593 0.000 2.161 339 F HA -0.125 4.396 4.527 -0.011 0.000 0.300 339 F C 2.758 178.513 175.800 -0.074 0.000 1.089 339 F CA 2.054 59.791 58.000 -0.439 0.000 1.282 339 F CB -0.361 38.366 39.000 -0.454 0.000 1.010 339 F HN -0.262 nan 8.300 nan 0.000 0.485 340 R N 0.250 120.801 120.500 0.085 0.000 2.120 340 R HA -0.169 4.165 4.340 -0.011 0.000 0.234 340 R C 1.888 178.205 176.300 0.030 0.000 1.123 340 R CA 1.607 57.747 56.100 0.067 0.000 0.975 340 R CB -0.507 29.843 30.300 0.083 0.000 0.866 340 R HN 0.432 nan 8.270 nan 0.000 0.446 341 E N 0.540 120.778 120.200 0.064 0.000 2.396 341 E HA -0.160 4.184 4.350 -0.011 0.000 0.200 341 E C 1.601 178.218 176.600 0.028 0.000 1.023 341 E CA 0.616 57.058 56.400 0.070 0.000 0.857 341 E CB -0.035 29.741 29.700 0.128 0.000 0.775 341 E HN 0.362 nan 8.360 nan 0.000 0.525 342 L N 0.379 121.572 121.223 -0.049 0.000 2.418 342 L HA -0.010 4.323 4.340 -0.011 0.000 0.218 342 L C 0.167 177.012 176.870 -0.041 0.000 1.125 342 L CA 0.236 55.017 54.840 -0.098 0.000 0.835 342 L CB -0.280 41.589 42.059 -0.316 0.000 0.953 342 L HN 0.041 nan 8.230 nan 0.000 0.454 343 E N 0.835 121.023 120.200 -0.021 0.000 2.230 343 E HA -0.207 4.137 4.350 -0.011 0.000 0.206 343 E C -0.636 175.995 176.600 0.051 0.000 1.309 343 E CA 0.087 56.507 56.400 0.033 0.000 0.697 343 E CB -1.637 28.116 29.700 0.088 0.000 1.146 343 E HN 0.401 nan 8.360 nan 0.000 0.363 344 L N 0.553 121.740 121.223 -0.059 0.000 2.334 344 L HA 0.681 5.015 4.340 -0.011 0.000 0.270 344 L C 0.414 177.159 176.870 -0.209 0.000 1.018 344 L CA -0.644 54.119 54.840 -0.128 0.000 0.811 344 L CB 1.465 43.361 42.059 -0.272 0.000 1.271 344 L HN 0.175 nan 8.230 nan 0.000 0.443 345 K N -0.174 119.967 120.400 -0.432 0.000 2.615 345 K HA 0.493 4.807 4.320 -0.011 0.000 0.291 345 K C -2.049 174.573 176.600 0.038 0.000 1.017 345 K CA -1.072 55.102 56.287 -0.187 0.000 0.882 345 K CB 2.159 34.467 32.500 -0.320 0.000 1.522 345 K HN 0.580 nan 8.250 nan 0.000 0.412 346 W N 1.541 122.810 121.300 -0.051 0.000 3.074 346 W HA 0.369 5.022 4.660 -0.011 0.000 0.332 346 W C -1.296 175.273 176.519 0.084 0.000 1.253 346 W CA -0.867 56.498 57.345 0.033 0.000 1.180 346 W CB 1.735 31.072 29.460 -0.205 0.000 1.445 346 W HN 0.698 nan 8.180 nan 0.000 0.573 347 Y N 0.851 121.067 120.300 -0.140 0.000 2.304 347 Y HA 0.555 5.099 4.550 -0.011 0.000 0.327 347 Y C 0.765 176.845 175.900 0.299 0.000 1.209 347 Y CA 0.014 58.095 58.100 -0.032 0.000 1.299 347 Y CB 0.388 38.689 38.460 -0.266 0.000 1.249 347 Y HN 0.348 nan 8.280 nan 0.000 0.519 348 A N 2.473 125.521 122.820 0.380 0.000 2.016 348 A HA 0.065 4.378 4.320 -0.011 0.000 0.217 348 A C 0.469 178.391 177.584 0.563 0.000 1.162 348 A CA 0.313 52.635 52.037 0.475 0.000 0.662 348 A CB -0.277 18.831 19.000 0.181 0.000 0.812 348 A HN 0.667 nan 8.150 nan 0.000 0.450 349 L N 1.950 123.443 121.223 0.451 0.000 2.262 349 L HA 0.407 4.741 4.340 -0.011 0.000 0.288 349 L C -2.527 174.479 176.870 0.227 0.000 1.035 349 L CA -2.213 52.788 54.840 0.268 0.000 0.820 349 L CB 1.527 43.667 42.059 0.136 0.000 1.204 349 L HN -0.027 nan 8.230 nan 0.000 0.424 350 P HA 0.360 nan 4.420 nan 0.000 0.291 350 P C -1.500 175.708 177.300 -0.154 0.000 1.378 350 P CA -0.342 62.617 63.100 -0.235 0.000 0.853 350 P CB 1.347 32.539 31.700 -0.847 0.000 1.002 351 A N 4.280 127.014 122.820 -0.144 0.000 2.335 351 A HA 0.480 4.793 4.320 -0.011 0.000 0.304 351 A C -0.517 176.872 177.584 -0.324 0.000 1.118 351 A CA -0.716 51.181 52.037 -0.234 0.000 0.757 351 A CB 1.321 20.169 19.000 -0.253 0.000 1.188 351 A HN 0.305 nan 8.150 nan 0.000 0.460 352 V N 2.745 122.331 119.914 -0.547 0.000 2.408 352 V HA 0.415 4.529 4.120 -0.011 0.000 0.267 352 V C 1.144 176.799 176.094 -0.732 0.000 1.047 352 V CA 0.792 62.707 62.300 -0.641 0.000 0.937 352 V CB 0.973 32.301 31.823 -0.825 0.000 0.999 352 V HN 1.123 nan 8.190 nan 0.000 0.472 353 A N 4.541 127.129 122.820 -0.386 0.000 2.140 353 A HA 0.100 4.414 4.320 -0.011 0.000 0.209 353 A C 1.387 178.908 177.584 -0.106 0.000 1.181 353 A CA 0.475 52.369 52.037 -0.237 0.000 0.824 353 A CB -0.068 18.846 19.000 -0.143 0.000 0.879 353 A HN 0.820 nan 8.150 nan 0.000 0.480 354 N N -0.530 118.116 118.700 -0.091 0.000 2.279 354 N HA 0.231 4.965 4.740 -0.011 0.000 0.226 354 N C -0.081 175.462 175.510 0.056 0.000 1.126 354 N CA -0.078 52.974 53.050 0.004 0.000 0.846 354 N CB -0.331 38.151 38.487 -0.007 0.000 1.050 354 N HN 0.375 nan 8.380 nan 0.000 0.502 355 M N 0.242 119.880 119.600 0.063 0.000 2.471 355 M HA 0.371 4.844 4.480 -0.011 0.000 0.309 355 M C -0.555 175.900 176.300 0.258 0.000 1.186 355 M CA -0.954 54.458 55.300 0.186 0.000 1.008 355 M CB 2.140 34.881 32.600 0.235 0.000 1.551 355 M HN 0.057 nan 8.290 nan 0.000 0.477 356 L N 2.772 124.176 121.223 0.301 0.000 2.305 356 L HA 0.512 4.846 4.340 -0.011 0.000 0.284 356 L C -1.316 175.775 176.870 0.369 0.000 1.013 356 L CA -1.010 54.017 54.840 0.311 0.000 0.819 356 L CB 1.189 43.391 42.059 0.240 0.000 1.227 356 L HN 0.577 nan 8.230 nan 0.000 0.417 357 L N 5.010 126.443 121.223 0.350 0.000 2.326 357 L HA 0.478 4.811 4.340 -0.011 0.000 0.278 357 L C -0.451 176.574 176.870 0.258 0.000 1.092 357 L CA 0.450 55.402 54.840 0.187 0.000 0.810 357 L CB 1.156 43.265 42.059 0.083 0.000 1.153 357 L HN 0.641 nan 8.230 nan 0.000 0.439 358 E N 4.564 124.885 120.200 0.201 0.000 2.187 358 E HA 0.597 4.941 4.350 -0.011 0.000 0.268 358 E C -1.951 174.737 176.600 0.147 0.000 0.896 358 E CA -0.533 56.004 56.400 0.229 0.000 0.766 358 E CB 1.831 31.742 29.700 0.352 0.000 1.142 358 E HN 0.519 nan 8.360 nan 0.000 0.408 359 V N 1.820 121.806 119.914 0.120 0.000 2.711 359 V HA 0.373 4.487 4.120 -0.011 0.000 0.304 359 V C 0.645 176.748 176.094 0.014 0.000 1.097 359 V CA -0.518 61.792 62.300 0.017 0.000 0.906 359 V CB 1.663 33.390 31.823 -0.159 0.000 1.015 359 V HN 0.862 nan 8.190 nan 0.000 0.427 360 G N 2.642 111.520 108.800 0.131 0.000 2.451 360 G HA2 0.090 4.044 3.960 -0.011 0.000 0.296 360 G HA3 0.090 4.044 3.960 -0.011 0.000 0.296 360 G C 1.389 176.428 174.900 0.231 0.000 0.922 360 G CA 1.569 46.823 45.100 0.257 0.000 1.074 360 G HN 2.528 nan 8.290 nan 0.000 0.509 361 G N -2.189 106.697 108.800 0.144 0.000 2.299 361 G HA2 -0.172 3.781 3.960 -0.011 0.000 0.237 361 G HA3 -0.172 3.781 3.960 -0.011 0.000 0.237 361 G C 0.454 175.377 174.900 0.037 0.000 1.027 361 G CA 0.415 45.576 45.100 0.102 0.000 0.619 361 G HN 1.125 nan 8.290 nan 0.000 0.513 362 L N 1.526 122.748 121.223 -0.002 0.000 2.439 362 L HA 0.591 4.924 4.340 -0.011 0.000 0.269 362 L C 0.580 177.352 176.870 -0.163 0.000 1.179 362 L CA 0.246 54.970 54.840 -0.193 0.000 0.828 362 L CB 0.841 42.676 42.059 -0.372 0.000 1.106 362 L HN 0.397 nan 8.230 nan 0.000 0.467 363 E N 2.222 122.245 120.200 -0.295 0.000 2.246 363 E HA 0.349 4.693 4.350 -0.011 0.000 0.266 363 E C -1.472 174.976 176.600 -0.252 0.000 0.880 363 E CA -0.269 56.051 56.400 -0.134 0.000 0.762 363 E CB 1.400 31.052 29.700 -0.079 0.000 1.180 363 E HN 0.231 nan 8.360 nan 0.000 0.416 364 F N 4.060 124.034 119.950 0.038 0.000 2.307 364 F HA 0.263 4.784 4.527 -0.011 0.000 0.369 364 F C -1.485 174.392 175.800 0.127 0.000 1.076 364 F CA -2.012 56.028 58.000 0.068 0.000 1.149 364 F CB 1.269 40.295 39.000 0.043 0.000 1.410 364 F HN 0.334 nan 8.300 nan 0.000 0.481 365 P HA 0.014 nan 4.420 nan 0.000 0.239 365 P C 0.423 177.890 177.300 0.279 0.000 1.184 365 P CA 0.586 63.827 63.100 0.233 0.000 0.760 365 P CB 0.451 32.252 31.700 0.167 0.000 0.884 366 G N 0.128 109.147 108.800 0.366 0.000 2.805 366 G HA2 0.437 4.390 3.960 -0.011 0.000 0.283 366 G HA3 0.437 4.390 3.960 -0.011 0.000 0.283 366 G C -0.412 174.736 174.900 0.413 0.000 1.508 366 G CA -0.419 44.949 45.100 0.447 0.000 1.042 366 G HN 0.209 nan 8.290 nan 0.000 0.543 367 C N 1.298 120.766 119.300 0.281 0.000 3.104 367 C HA 0.441 4.895 4.460 -0.011 0.000 0.206 367 C C -2.392 172.666 174.990 0.113 0.000 1.429 367 C CA -1.914 57.200 59.018 0.160 0.000 1.105 367 C CB 0.246 28.118 27.740 0.219 0.000 1.904 367 C HN 0.519 nan 8.230 nan 0.000 0.626 368 P HA 0.278 nan 4.420 nan 0.000 0.264 368 P C -0.575 176.709 177.300 -0.027 0.000 1.183 368 P CA 1.114 64.132 63.100 -0.137 0.000 0.763 368 P CB 0.392 32.031 31.700 -0.101 0.000 0.807 369 F N 0.289 120.175 119.950 -0.107 0.000 2.613 369 F HA 0.690 5.211 4.527 -0.011 0.000 0.314 369 F C -0.565 175.134 175.800 -0.169 0.000 1.075 369 F CA -1.193 56.723 58.000 -0.139 0.000 0.945 369 F CB 1.699 40.451 39.000 -0.413 0.000 1.310 369 F HN 0.351 nan 8.300 nan 0.000 0.467 370 N N -0.063 118.707 118.700 0.117 0.000 2.610 370 N HA 0.757 5.491 4.740 -0.011 0.000 0.264 370 N C -1.290 174.140 175.510 -0.134 0.000 1.348 370 N CA -0.397 52.653 53.050 -0.000 0.000 0.819 370 N CB 2.022 40.560 38.487 0.084 0.000 1.521 370 N HN 1.101 nan 8.380 nan 0.000 0.497 371 G N -0.885 107.803 108.800 -0.187 0.000 3.085 371 G HA2 0.672 4.625 3.960 -0.011 0.000 0.264 371 G HA3 0.672 4.625 3.960 -0.011 0.000 0.264 371 G C -1.783 173.035 174.900 -0.137 0.000 1.206 371 G CA -0.795 44.094 45.100 -0.351 0.000 0.809 371 G HN 0.688 nan 8.290 nan 0.000 0.592 372 W N -1.720 119.594 121.300 0.022 0.000 2.762 372 W HA 0.822 5.476 4.660 -0.010 0.000 0.355 372 W C -1.262 175.263 176.519 0.011 0.000 1.124 372 W CA -2.034 55.338 57.345 0.044 0.000 1.141 372 W CB 0.329 29.854 29.460 0.107 0.000 1.432 372 W HN 0.399 nan 8.180 nan 0.000 0.586 373 Y N 1.956 122.464 120.300 0.346 0.000 2.326 373 Y HA 0.273 4.816 4.550 -0.010 0.000 0.333 373 Y C 0.659 176.630 175.900 0.118 0.000 1.240 373 Y CA -0.648 57.529 58.100 0.128 0.000 1.365 373 Y CB 1.089 39.512 38.460 -0.062 0.000 1.289 373 Y HN 0.351 nan 8.280 nan 0.000 0.548 374 M N 2.196 121.964 119.600 0.280 0.000 2.227 374 M HA 0.348 4.821 4.480 -0.011 0.000 0.335 374 M C 1.051 177.353 176.300 0.003 0.000 1.053 374 M CA -0.219 55.165 55.300 0.140 0.000 0.973 374 M CB 1.347 34.012 32.600 0.108 0.000 1.623 374 M HN 0.869 nan 8.290 nan 0.000 0.434 375 G N 1.688 110.436 108.800 -0.086 0.000 2.503 375 G HA2 -0.290 3.664 3.960 -0.011 0.000 0.221 375 G HA3 -0.290 3.664 3.960 -0.011 0.000 0.221 375 G C 1.092 175.843 174.900 -0.248 0.000 1.131 375 G CA 1.809 46.778 45.100 -0.219 0.000 0.756 375 G HN 0.861 nan 8.290 nan 0.000 0.572 376 T N -0.409 114.022 114.554 -0.204 0.000 2.881 376 T HA -0.062 4.282 4.350 -0.011 0.000 0.270 376 T C 1.923 176.462 174.700 -0.268 0.000 1.068 376 T CA 1.578 63.511 62.100 -0.277 0.000 1.131 376 T CB -0.265 68.382 68.868 -0.368 0.000 0.871 376 T HN 0.557 nan 8.240 nan 0.000 0.479 377 E N 1.078 121.140 120.200 -0.230 0.000 2.077 377 E HA -0.043 4.300 4.350 -0.011 0.000 0.193 377 E C 2.142 178.474 176.600 -0.446 0.000 0.989 377 E CA 1.301 57.571 56.400 -0.216 0.000 0.800 377 E CB -0.350 29.358 29.700 0.013 0.000 0.746 377 E HN 0.564 nan 8.360 nan 0.000 0.452 378 I N 0.703 120.857 120.570 -0.693 0.000 2.141 378 I HA -0.111 4.053 4.170 -0.011 0.000 0.236 378 I C 2.659 178.240 176.117 -0.893 0.000 1.071 378 I CA 1.181 61.796 61.300 -1.142 0.000 1.345 378 I CB -0.708 36.517 38.000 -1.293 0.000 1.066 378 I HN 0.129 nan 8.210 nan 0.000 0.406 379 G N 0.578 109.096 108.800 -0.469 0.000 2.402 379 G HA2 -0.132 3.822 3.960 -0.011 0.000 0.216 379 G HA3 -0.132 3.822 3.960 -0.011 0.000 0.216 379 G C 1.649 176.517 174.900 -0.054 0.000 1.162 379 G CA 1.002 46.041 45.100 -0.101 0.000 0.777 379 G HN 0.222 nan 8.290 nan 0.000 0.539 380 V N 0.571 120.393 119.914 -0.154 0.000 2.300 380 V HA 0.005 4.119 4.120 -0.011 0.000 0.241 380 V C 2.877 178.908 176.094 -0.105 0.000 1.034 380 V CA 1.258 63.489 62.300 -0.116 0.000 1.021 380 V CB -0.428 31.293 31.823 -0.171 0.000 0.662 380 V HN 0.144 nan 8.190 nan 0.000 0.458 381 R N 0.750 121.149 120.500 -0.169 0.000 2.060 381 R HA -0.074 4.259 4.340 -0.011 0.000 0.225 381 R C 2.025 178.258 176.300 -0.112 0.000 1.155 381 R CA 1.709 57.728 56.100 -0.135 0.000 0.930 381 R CB -1.221 28.988 30.300 -0.152 0.000 0.829 381 R HN 0.498 nan 8.270 nan 0.000 0.433 382 D N 0.324 120.552 120.400 -0.286 0.000 2.117 382 D HA -0.129 4.505 4.640 -0.011 0.000 0.197 382 D C 1.886 178.178 176.300 -0.014 0.000 0.987 382 D CA 1.123 54.933 54.000 -0.316 0.000 0.829 382 D CB -0.184 39.927 40.800 -1.148 0.000 0.961 382 D HN 0.099 nan 8.370 nan 0.000 0.460 383 F N 0.176 120.042 119.950 -0.141 0.000 2.387 383 F HA 0.040 4.561 4.527 -0.010 0.000 0.294 383 F C 2.322 178.178 175.800 0.093 0.000 1.093 383 F CA -0.223 57.788 58.000 0.018 0.000 1.420 383 F CB -0.480 38.501 39.000 -0.031 0.000 1.086 383 F HN 0.031 nan 8.300 nan 0.000 0.531 384 C N -1.358 118.074 119.300 0.220 0.000 3.019 384 C HA 0.189 4.642 4.460 -0.011 0.000 0.295 384 C C 0.453 175.500 174.990 0.094 0.000 1.256 384 C CA -0.625 58.479 59.018 0.143 0.000 1.706 384 C CB -0.508 27.285 27.740 0.088 0.000 2.153 384 C HN 0.073 nan 8.230 nan 0.000 0.618 385 D N 1.101 121.547 120.400 0.077 0.000 2.472 385 D HA 0.063 4.696 4.640 -0.011 0.000 0.237 385 D C 1.124 177.468 176.300 0.074 0.000 1.141 385 D CA 0.308 54.340 54.000 0.053 0.000 0.875 385 D CB 0.963 41.790 40.800 0.045 0.000 1.192 385 D HN -0.026 nan 8.370 nan 0.000 0.450 386 V N 2.051 121.999 119.914 0.056 0.000 2.759 386 V HA -0.166 3.948 4.120 -0.011 0.000 0.256 386 V C 1.688 177.813 176.094 0.053 0.000 1.080 386 V CA 1.293 63.629 62.300 0.060 0.000 1.101 386 V CB -0.273 31.580 31.823 0.051 0.000 0.698 386 V HN 0.480 nan 8.190 nan 0.000 0.477 387 Q N -0.376 119.453 119.800 0.049 0.000 2.212 387 Q HA 0.243 4.577 4.340 -0.011 0.000 0.213 387 Q C 0.740 176.767 176.000 0.045 0.000 0.874 387 Q CA 0.127 55.955 55.803 0.042 0.000 0.965 387 Q CB 0.518 29.282 28.738 0.043 0.000 1.074 387 Q HN 0.509 nan 8.270 nan 0.000 0.473 388 R N -1.427 119.109 120.500 0.060 0.000 3.117 388 R HA 0.254 4.587 4.340 -0.011 0.000 0.137 388 R C 1.298 177.617 176.300 0.031 0.000 0.996 388 R CA -0.602 55.548 56.100 0.084 0.000 0.604 388 R CB -0.930 29.483 30.300 0.189 0.000 1.038 388 R HN -0.011 nan 8.270 nan 0.000 0.389 389 Y N 1.719 122.141 120.300 0.204 0.000 2.352 389 Y HA -0.036 4.507 4.550 -0.011 0.000 0.292 389 Y C 0.775 176.768 175.900 0.156 0.000 1.136 389 Y CA 1.523 59.757 58.100 0.223 0.000 1.227 389 Y CB -0.221 38.472 38.460 0.388 0.000 0.991 389 Y HN 0.558 nan 8.280 nan 0.000 0.545 390 N N 0.840 119.686 118.700 0.244 0.000 2.688 390 N HA -0.219 4.515 4.740 -0.011 0.000 0.258 390 N C 0.506 176.117 175.510 0.168 0.000 1.016 390 N CA 0.328 53.478 53.050 0.167 0.000 0.747 390 N CB -0.961 37.591 38.487 0.109 0.000 0.895 390 N HN 0.623 nan 8.380 nan 0.000 0.543 391 I N -2.897 117.785 120.570 0.187 0.000 3.728 391 I HA 0.011 4.174 4.170 -0.011 0.000 0.307 391 I C 1.951 178.161 176.117 0.156 0.000 1.276 391 I CA -0.334 61.048 61.300 0.136 0.000 1.285 391 I CB -0.051 37.983 38.000 0.056 0.000 1.038 391 I HN 0.162 nan 8.210 nan 0.000 0.445 392 L N 2.513 123.849 121.223 0.189 0.000 1.991 392 L HA -0.290 4.043 4.340 -0.011 0.000 0.221 392 L C 2.679 179.783 176.870 0.390 0.000 1.079 392 L CA 2.755 57.745 54.840 0.248 0.000 0.778 392 L CB -0.820 41.340 42.059 0.168 0.000 0.893 392 L HN 0.606 nan 8.230 nan 0.000 0.437 393 E N -0.889 119.532 120.200 0.368 0.000 2.085 393 E HA -0.270 4.074 4.350 -0.011 0.000 0.194 393 E C 2.115 178.761 176.600 0.078 0.000 0.994 393 E CA 1.887 58.449 56.400 0.270 0.000 0.801 393 E CB -0.422 29.382 29.700 0.173 0.000 0.743 393 E HN 0.582 nan 8.360 nan 0.000 0.453 394 E N -0.137 120.111 120.200 0.079 0.000 2.051 394 E HA -0.152 4.192 4.350 -0.011 0.000 0.192 394 E C 2.159 178.762 176.600 0.005 0.000 0.991 394 E CA 1.589 57.996 56.400 0.012 0.000 0.799 394 E CB 0.034 29.748 29.700 0.024 0.000 0.748 394 E HN 0.279 nan 8.360 nan 0.000 0.449 395 V N 0.428 120.410 119.914 0.113 0.000 2.427 395 V HA -0.186 3.928 4.120 -0.011 0.000 0.248 395 V C 2.378 178.553 176.094 0.134 0.000 1.051 395 V CA 1.801 64.224 62.300 0.205 0.000 1.048 395 V CB -0.828 31.207 31.823 0.353 0.000 0.666 395 V HN 0.392 nan 8.190 nan 0.000 0.456 396 G N -0.243 108.673 108.800 0.194 0.000 2.433 396 G HA2 -0.246 3.708 3.960 -0.011 0.000 0.216 396 G HA3 -0.246 3.708 3.960 -0.011 0.000 0.216 396 G C 1.741 176.578 174.900 -0.106 0.000 1.186 396 G CA 0.713 45.921 45.100 0.182 0.000 0.779 396 G HN 0.395 nan 8.290 nan 0.000 0.543 397 R N -0.049 120.328 120.500 -0.205 0.000 2.083 397 R HA -0.039 4.295 4.340 -0.011 0.000 0.237 397 R C 2.814 178.918 176.300 -0.327 0.000 1.137 397 R CA 1.346 57.288 56.100 -0.265 0.000 0.951 397 R CB -0.306 29.855 30.300 -0.232 0.000 0.851 397 R HN 0.270 nan 8.270 nan 0.000 0.434 398 R N 0.012 120.250 120.500 -0.436 0.000 2.120 398 R HA -0.051 4.282 4.340 -0.011 0.000 0.234 398 R C 2.115 177.853 176.300 -0.936 0.000 1.123 398 R CA 1.326 56.912 56.100 -0.857 0.000 0.975 398 R CB -0.104 29.377 30.300 -1.365 0.000 0.866 398 R HN 0.230 nan 8.270 nan 0.000 0.446 399 M N -0.764 118.517 119.600 -0.532 0.000 2.619 399 M HA 0.094 4.567 4.480 -0.011 0.000 0.251 399 M C 0.784 176.948 176.300 -0.226 0.000 1.106 399 M CA 0.796 55.896 55.300 -0.333 0.000 1.086 399 M CB 0.639 33.191 32.600 -0.080 0.000 1.465 399 M HN 0.414 nan 8.290 nan 0.000 0.506 400 G N 1.841 110.494 108.800 -0.244 0.000 2.182 400 G HA2 -0.221 3.733 3.960 -0.011 0.000 0.248 400 G HA3 -0.221 3.733 3.960 -0.011 0.000 0.248 400 G C -0.120 174.716 174.900 -0.107 0.000 1.042 400 G CA -0.218 44.778 45.100 -0.173 0.000 0.775 400 G HN 0.398 nan 8.290 nan 0.000 0.501 401 L N -0.984 120.177 121.223 -0.102 0.000 2.431 401 L HA 0.492 4.825 4.340 -0.011 0.000 0.260 401 L C 0.983 177.755 176.870 -0.164 0.000 1.098 401 L CA -0.899 53.908 54.840 -0.056 0.000 0.800 401 L CB 0.563 42.672 42.059 0.083 0.000 1.210 401 L HN 0.094 nan 8.230 nan 0.000 0.465 402 E N 0.532 120.646 120.200 -0.144 0.000 1.802 402 E HA 0.001 4.345 4.350 -0.011 0.000 0.265 402 E C 0.668 176.895 176.600 -0.622 0.000 1.168 402 E CA -0.089 56.137 56.400 -0.290 0.000 1.033 402 E CB 0.248 29.770 29.700 -0.296 0.000 1.095 402 E HN 0.646 nan 8.360 nan 0.000 0.436 403 T N -1.281 112.779 114.554 -0.822 0.000 3.098 403 T HA -0.153 4.191 4.350 -0.011 0.000 0.266 403 T C 1.434 175.766 174.700 -0.613 0.000 1.145 403 T CA 0.850 62.039 62.100 -1.519 0.000 1.092 403 T CB -0.195 67.938 68.868 -1.225 0.000 0.908 403 T HN 0.506 nan 8.240 nan 0.000 0.526 404 H N -0.300 118.596 119.070 -0.289 0.000 2.595 404 H HA 0.391 4.940 4.556 -0.011 0.000 0.265 404 H C 0.403 175.763 175.328 0.053 0.000 0.953 404 H CA -0.234 55.770 56.048 -0.073 0.000 1.197 404 H CB 0.187 29.904 29.762 -0.075 0.000 1.438 404 H HN 0.264 nan 8.280 nan 0.000 0.531 405 K N 1.678 121.880 120.400 -0.330 0.000 2.334 405 K HA 0.250 4.563 4.320 -0.011 0.000 0.265 405 K C 0.787 177.487 176.600 0.166 0.000 1.039 405 K CA -0.342 55.884 56.287 -0.102 0.000 0.920 405 K CB 1.708 34.063 32.500 -0.242 0.000 1.160 405 K HN 0.091 nan 8.250 nan 0.000 0.451 406 L N 1.863 123.189 121.223 0.171 0.000 2.079 406 L HA -0.210 4.124 4.340 -0.011 0.000 0.210 406 L C 2.143 179.043 176.870 0.050 0.000 1.081 406 L CA 1.391 56.306 54.840 0.126 0.000 0.752 406 L CB -0.240 41.855 42.059 0.061 0.000 0.896 406 L HN 0.701 nan 8.230 nan 0.000 0.433 407 A N -0.307 122.540 122.820 0.046 0.000 2.178 407 A HA -0.153 4.161 4.320 -0.011 0.000 0.218 407 A C 2.368 179.973 177.584 0.035 0.000 1.157 407 A CA 1.445 53.498 52.037 0.026 0.000 0.689 407 A CB -0.505 18.509 19.000 0.023 0.000 0.787 407 A HN 0.543 nan 8.150 nan 0.000 0.465 408 S N -0.555 115.188 115.700 0.072 0.000 2.522 408 S HA 0.105 4.569 4.470 -0.011 0.000 0.227 408 S C 0.888 175.545 174.600 0.095 0.000 0.986 408 S CA 0.584 58.836 58.200 0.087 0.000 0.929 408 S CB -0.725 62.537 63.200 0.104 0.000 0.769 408 S HN 0.776 nan 8.310 nan 0.000 0.529 409 L N 0.639 121.886 121.223 0.039 0.000 3.843 409 L HA -0.186 4.148 4.340 -0.011 0.000 0.411 409 L C 1.699 178.555 176.870 -0.023 0.000 1.205 409 L CA 0.840 55.651 54.840 -0.048 0.000 0.945 409 L CB -2.503 39.544 42.059 -0.020 0.000 1.929 409 L HN 0.771 nan 8.230 nan 0.000 0.934 410 W N 0.282 121.577 121.300 -0.009 0.000 2.363 410 W HA -0.163 4.491 4.660 -0.010 0.000 0.296 410 W C 1.688 178.221 176.519 0.023 0.000 1.212 410 W CA 1.322 58.667 57.345 0.001 0.000 1.260 410 W CB -0.715 28.731 29.460 -0.022 0.000 1.131 410 W HN 0.274 nan 8.180 nan 0.000 0.530 411 K N 1.009 120.870 120.400 -0.898 0.000 2.147 411 K HA -0.154 4.160 4.320 -0.011 0.000 0.205 411 K C 1.398 177.822 176.600 -0.294 0.000 1.049 411 K CA 2.259 58.038 56.287 -0.847 0.000 0.936 411 K CB -0.302 31.585 32.500 -1.022 0.000 0.722 411 K HN 0.148 nan 8.250 nan 0.000 0.446 412 D N 0.490 120.770 120.400 -0.200 0.000 2.194 412 D HA -0.094 4.539 4.640 -0.011 0.000 0.204 412 D C 1.894 178.197 176.300 0.005 0.000 0.964 412 D CA 0.756 54.708 54.000 -0.081 0.000 0.846 412 D CB 0.111 40.871 40.800 -0.065 0.000 0.962 412 D HN 0.201 nan 8.370 nan 0.000 0.490 413 Q N 0.614 120.441 119.800 0.046 0.000 2.049 413 Q HA -0.025 4.308 4.340 -0.011 0.000 0.198 413 Q C 2.347 178.440 176.000 0.155 0.000 0.971 413 Q CA 1.233 57.103 55.803 0.112 0.000 0.833 413 Q CB -0.187 28.638 28.738 0.144 0.000 0.896 413 Q HN 0.277 nan 8.270 nan 0.000 0.434 414 A N 0.816 123.744 122.820 0.180 0.000 1.865 414 A HA -0.173 4.141 4.320 -0.011 0.000 0.217 414 A C 2.318 180.015 177.584 0.188 0.000 1.191 414 A CA 1.577 53.755 52.037 0.235 0.000 0.623 414 A CB -1.144 18.034 19.000 0.296 0.000 0.826 414 A HN 0.262 nan 8.150 nan 0.000 0.444 415 V N -0.112 119.863 119.914 0.101 0.000 2.380 415 V HA -0.230 3.884 4.120 -0.011 0.000 0.251 415 V C 2.463 178.609 176.094 0.086 0.000 1.063 415 V CA 2.396 64.743 62.300 0.077 0.000 1.055 415 V CB -0.395 31.428 31.823 0.001 0.000 0.657 415 V HN 0.351 nan 8.190 nan 0.000 0.455 416 V N -0.046 119.923 119.914 0.091 0.000 2.358 416 V HA -0.152 3.962 4.120 -0.011 0.000 0.246 416 V C 2.581 178.750 176.094 0.125 0.000 1.047 416 V CA 2.084 64.442 62.300 0.096 0.000 1.035 416 V CB -0.658 31.223 31.823 0.096 0.000 0.658 416 V HN 0.579 nan 8.190 nan 0.000 0.452 417 E N -0.185 120.128 120.200 0.188 0.000 2.152 417 E HA -0.070 4.274 4.350 -0.011 0.000 0.192 417 E C 2.162 178.882 176.600 0.201 0.000 0.983 417 E CA 0.957 57.519 56.400 0.271 0.000 0.818 417 E CB -0.161 29.746 29.700 0.346 0.000 0.758 417 E HN 0.556 nan 8.360 nan 0.000 0.467 418 I N 1.641 122.339 120.570 0.214 0.000 2.252 418 I HA -0.239 3.925 4.170 -0.011 0.000 0.245 418 I C 2.076 178.278 176.117 0.142 0.000 1.102 418 I CA 0.830 62.278 61.300 0.247 0.000 1.385 418 I CB -0.190 37.999 38.000 0.315 0.000 1.064 418 I HN 0.070 nan 8.210 nan 0.000 0.414 419 N N 0.623 119.376 118.700 0.088 0.000 2.331 419 N HA -0.046 4.688 4.740 -0.011 0.000 0.180 419 N C 1.934 177.437 175.510 -0.011 0.000 1.019 419 N CA 1.080 54.145 53.050 0.025 0.000 0.881 419 N CB 0.180 38.666 38.487 -0.001 0.000 0.972 419 N HN 0.370 nan 8.380 nan 0.000 0.435 420 I N 1.141 121.688 120.570 -0.038 0.000 2.353 420 I HA -0.170 3.994 4.170 -0.011 0.000 0.248 420 I C 2.434 178.405 176.117 -0.243 0.000 1.119 420 I CA 0.408 61.620 61.300 -0.146 0.000 1.417 420 I CB -0.180 37.696 38.000 -0.206 0.000 1.078 420 I HN 0.030 nan 8.210 nan 0.000 0.421 421 A N 0.588 123.232 122.820 -0.294 0.000 1.883 421 A HA -0.176 4.137 4.320 -0.011 0.000 0.217 421 A C 2.416 179.991 177.584 -0.015 0.000 1.186 421 A CA 1.889 53.735 52.037 -0.318 0.000 0.624 421 A CB -1.002 17.598 19.000 -0.667 0.000 0.822 421 A HN 0.225 nan 8.150 nan 0.000 0.444 422 V N 1.259 121.199 119.914 0.045 0.000 2.233 422 V HA -0.310 3.804 4.120 -0.011 0.000 0.247 422 V C 2.503 178.623 176.094 0.042 0.000 1.050 422 V CA 2.224 64.569 62.300 0.075 0.000 1.010 422 V CB -0.953 30.837 31.823 -0.055 0.000 0.637 422 V HN 0.722 nan 8.190 nan 0.000 0.444 423 I N -0.670 119.887 120.570 -0.022 0.000 2.614 423 I HA -0.207 3.957 4.170 -0.011 0.000 0.258 423 I C 2.449 178.600 176.117 0.056 0.000 1.189 423 I CA 2.214 63.508 61.300 -0.009 0.000 1.462 423 I CB -0.966 37.019 38.000 -0.025 0.000 1.092 423 I HN 0.411 nan 8.210 nan 0.000 0.442 424 H N 1.610 120.644 119.070 -0.060 0.000 2.363 424 H HA -0.022 4.528 4.556 -0.011 0.000 0.301 424 H C 2.222 177.543 175.328 -0.011 0.000 1.074 424 H CA 1.950 57.949 56.048 -0.081 0.000 1.354 424 H CB -0.059 29.582 29.762 -0.201 0.000 1.397 424 H HN 0.188 nan 8.280 nan 0.000 0.516 425 S N -0.330 115.309 115.700 -0.101 0.000 2.368 425 S HA -0.076 4.388 4.470 -0.011 0.000 0.224 425 S C 1.790 176.374 174.600 -0.027 0.000 1.029 425 S CA 1.093 59.225 58.200 -0.113 0.000 0.988 425 S CB -0.386 62.864 63.200 0.084 0.000 0.838 425 S HN 0.322 nan 8.310 nan 0.000 0.462 426 F N 2.121 122.014 119.950 -0.096 0.000 2.186 426 F HA -0.070 4.451 4.527 -0.011 0.000 0.299 426 F C 2.605 178.355 175.800 -0.083 0.000 1.090 426 F CA 0.976 58.940 58.000 -0.059 0.000 1.307 426 F CB -0.618 38.368 39.000 -0.023 0.000 1.019 426 F HN 0.225 nan 8.300 nan 0.000 0.489 427 Q N -0.161 119.685 119.800 0.076 0.000 2.079 427 Q HA -0.234 4.100 4.340 -0.011 0.000 0.200 427 Q C 2.235 178.188 176.000 -0.077 0.000 0.974 427 Q CA 1.524 57.322 55.803 -0.007 0.000 0.840 427 Q CB -0.264 28.465 28.738 -0.016 0.000 0.898 427 Q HN 0.354 nan 8.270 nan 0.000 0.430 428 K N 0.379 120.677 120.400 -0.170 0.000 2.147 428 K HA -0.156 4.158 4.320 -0.011 0.000 0.205 428 K C 1.417 177.940 176.600 -0.127 0.000 1.049 428 K CA 1.049 57.222 56.287 -0.190 0.000 0.936 428 K CB 0.323 32.621 32.500 -0.336 0.000 0.722 428 K HN 0.079 nan 8.250 nan 0.000 0.446 429 Q N 0.399 120.122 119.800 -0.129 0.000 2.320 429 Q HA 0.060 4.393 4.340 -0.011 0.000 0.201 429 Q C -0.536 175.408 176.000 -0.093 0.000 0.910 429 Q CA 0.230 55.962 55.803 -0.118 0.000 0.946 429 Q CB 0.050 28.687 28.738 -0.168 0.000 1.062 429 Q HN 0.372 nan 8.270 nan 0.000 0.503 430 N N -0.652 118.006 118.700 -0.070 0.000 2.740 430 N HA -0.145 4.589 4.740 -0.011 0.000 0.248 430 N C -1.200 174.286 175.510 -0.039 0.000 1.062 430 N CA 0.386 53.407 53.050 -0.049 0.000 0.704 430 N CB -1.229 37.229 38.487 -0.049 0.000 0.968 430 N HN -0.000 nan 8.380 nan 0.000 0.547 431 V N 0.304 120.205 119.914 -0.022 0.000 2.435 431 V HA 0.332 4.445 4.120 -0.011 0.000 0.290 431 V C 0.951 177.148 176.094 0.171 0.000 1.030 431 V CA -0.693 61.625 62.300 0.029 0.000 0.881 431 V CB 1.845 33.590 31.823 -0.130 0.000 0.983 431 V HN 0.184 nan 8.190 nan 0.000 0.445 432 T N 6.071 120.688 114.554 0.105 0.000 2.946 432 T HA 0.430 4.773 4.350 -0.011 0.000 0.311 432 T C -0.240 174.564 174.700 0.173 0.000 1.063 432 T CA 0.818 62.916 62.100 -0.003 0.000 1.139 432 T CB 0.130 68.858 68.868 -0.233 0.000 0.994 432 T HN 0.609 nan 8.240 nan 0.000 0.547 433 I N 2.235 122.811 120.570 0.009 0.000 2.746 433 I HA 0.460 4.623 4.170 -0.011 0.000 0.290 433 I C -1.672 174.441 176.117 -0.005 0.000 1.600 433 I CA -0.758 60.558 61.300 0.026 0.000 1.019 433 I CB 1.720 39.622 38.000 -0.164 0.000 1.426 433 I HN 0.659 nan 8.210 nan 0.000 0.460 434 M N 6.977 126.633 119.600 0.093 0.000 2.395 434 M HA 0.407 4.881 4.480 -0.011 0.000 0.307 434 M C -1.362 174.985 176.300 0.079 0.000 1.091 434 M CA -0.626 54.734 55.300 0.101 0.000 0.919 434 M CB 1.560 34.296 32.600 0.227 0.000 1.662 434 M HN 0.611 nan 8.290 nan 0.000 0.440 435 D N 2.690 123.121 120.400 0.051 0.000 2.362 435 D HA 0.005 4.639 4.640 -0.011 0.000 0.242 435 D C 0.568 176.886 176.300 0.030 0.000 1.132 435 D CA 0.016 54.041 54.000 0.041 0.000 0.907 435 D CB 0.697 41.501 40.800 0.008 0.000 1.195 435 D HN 0.956 nan 8.370 nan 0.000 0.429 436 H N 0.254 119.241 119.070 -0.138 0.000 2.422 436 H HA -0.185 4.364 4.556 -0.011 0.000 0.298 436 H C 1.413 176.646 175.328 -0.159 0.000 1.098 436 H CA 1.482 57.421 56.048 -0.181 0.000 1.315 436 H CB -0.347 29.253 29.762 -0.270 0.000 1.382 436 H HN 0.466 nan 8.280 nan 0.000 0.523 437 H N 0.699 119.591 119.070 -0.296 0.000 2.326 437 H HA -0.008 4.541 4.556 -0.011 0.000 0.301 437 H C 2.439 177.749 175.328 -0.029 0.000 1.081 437 H CA 1.390 57.338 56.048 -0.167 0.000 1.334 437 H CB -0.147 29.482 29.762 -0.222 0.000 1.385 437 H HN 0.421 nan 8.280 nan 0.000 0.504 438 S N 0.719 116.479 115.700 0.100 0.000 2.368 438 S HA -0.082 4.382 4.470 -0.011 0.000 0.224 438 S C 2.480 177.155 174.600 0.124 0.000 1.029 438 S CA 0.849 59.109 58.200 0.100 0.000 0.988 438 S CB -0.260 62.988 63.200 0.079 0.000 0.838 438 S HN 0.526 nan 8.310 nan 0.000 0.462 439 A N 1.820 124.714 122.820 0.123 0.000 1.865 439 A HA 0.039 4.353 4.320 -0.011 0.000 0.217 439 A C 2.387 180.081 177.584 0.183 0.000 1.191 439 A CA 1.847 53.979 52.037 0.159 0.000 0.623 439 A CB -1.243 17.842 19.000 0.142 0.000 0.826 439 A HN 0.521 nan 8.150 nan 0.000 0.444 440 A N -0.420 122.490 122.820 0.150 0.000 1.908 440 A HA -0.195 4.119 4.320 -0.011 0.000 0.218 440 A C 1.941 179.667 177.584 0.238 0.000 1.181 440 A CA 1.717 53.863 52.037 0.182 0.000 0.627 440 A CB -0.555 18.522 19.000 0.128 0.000 0.818 440 A HN 0.650 nan 8.150 nan 0.000 0.445 441 E N 0.046 120.357 120.200 0.186 0.000 2.150 441 E HA -0.139 4.205 4.350 -0.011 0.000 0.193 441 E C 2.383 179.087 176.600 0.172 0.000 0.985 441 E CA 1.283 57.784 56.400 0.169 0.000 0.814 441 E CB -0.144 29.631 29.700 0.125 0.000 0.752 441 E HN 0.822 nan 8.360 nan 0.000 0.466 442 S N 0.631 116.439 115.700 0.180 0.000 2.371 442 S HA -0.161 4.302 4.470 -0.011 0.000 0.224 442 S C 1.921 176.641 174.600 0.200 0.000 1.029 442 S CA 0.453 58.752 58.200 0.165 0.000 0.978 442 S CB -0.555 62.741 63.200 0.159 0.000 0.833 442 S HN 0.305 nan 8.310 nan 0.000 0.466 443 F N 2.469 122.504 119.950 0.142 0.000 2.126 443 F HA -0.066 4.454 4.527 -0.011 0.000 0.299 443 F C 2.289 178.222 175.800 0.222 0.000 1.096 443 F CA 1.602 59.718 58.000 0.192 0.000 1.255 443 F CB -0.332 38.759 39.000 0.152 0.000 0.997 443 F HN 0.103 nan 8.300 nan 0.000 0.479 444 M N -0.019 119.712 119.600 0.217 0.000 2.213 444 M HA -0.181 4.292 4.480 -0.011 0.000 0.263 444 M C 2.125 178.455 176.300 0.050 0.000 1.062 444 M CA 1.508 56.896 55.300 0.146 0.000 1.105 444 M CB -1.169 31.558 32.600 0.211 0.000 1.385 444 M HN 0.096 nan 8.290 nan 0.000 0.417 445 K N -0.184 120.250 120.400 0.056 0.000 2.116 445 K HA -0.144 4.170 4.320 -0.011 0.000 0.203 445 K C 1.922 178.516 176.600 -0.011 0.000 1.052 445 K CA 0.948 57.261 56.287 0.044 0.000 0.952 445 K CB -0.588 31.951 32.500 0.066 0.000 0.729 445 K HN 0.235 nan 8.250 nan 0.000 0.446 446 Y N 0.752 120.947 120.300 -0.175 0.000 2.097 446 Y HA -0.228 4.316 4.550 -0.011 0.000 0.282 446 Y C 2.110 177.809 175.900 -0.335 0.000 1.152 446 Y CA 2.395 60.345 58.100 -0.251 0.000 1.136 446 Y CB -0.575 37.674 38.460 -0.352 0.000 0.975 446 Y HN 0.113 nan 8.280 nan 0.000 0.498 447 M N 0.077 119.194 119.600 -0.805 0.000 2.106 447 M HA -0.321 4.153 4.480 -0.011 0.000 0.259 447 M C 2.477 178.469 176.300 -0.513 0.000 1.068 447 M CA 2.328 57.175 55.300 -0.754 0.000 1.100 447 M CB -0.351 31.989 32.600 -0.434 0.000 1.351 447 M HN 0.525 nan 8.290 nan 0.000 0.404 448 Q N 0.112 119.782 119.800 -0.216 0.000 2.084 448 Q HA -0.202 4.131 4.340 -0.011 0.000 0.202 448 Q C 1.499 177.423 176.000 -0.126 0.000 0.978 448 Q CA 2.128 57.911 55.803 -0.034 0.000 0.844 448 Q CB -0.174 28.673 28.738 0.182 0.000 0.898 448 Q HN 0.716 nan 8.270 nan 0.000 0.426 449 N N -0.230 118.369 118.700 -0.168 0.000 2.069 449 N HA -0.176 4.558 4.740 -0.011 0.000 0.191 449 N C 1.677 177.047 175.510 -0.232 0.000 1.031 449 N CA 1.032 54.001 53.050 -0.136 0.000 0.852 449 N CB 0.026 38.473 38.487 -0.066 0.000 1.018 449 N HN 0.207 nan 8.380 nan 0.000 0.423 450 E N 0.633 120.550 120.200 -0.471 0.000 2.058 450 E HA -0.179 4.165 4.350 -0.011 0.000 0.194 450 E C 1.735 178.024 176.600 -0.518 0.000 0.997 450 E CA 1.230 57.281 56.400 -0.581 0.000 0.801 450 E CB -0.428 28.716 29.700 -0.926 0.000 0.746 450 E HN 0.526 nan 8.360 nan 0.000 0.450 451 Y N 0.761 120.774 120.300 -0.477 0.000 2.333 451 Y HA -0.125 4.419 4.550 -0.011 0.000 0.290 451 Y C 2.604 178.387 175.900 -0.194 0.000 1.144 451 Y CA 1.290 59.158 58.100 -0.387 0.000 1.228 451 Y CB -0.140 37.912 38.460 -0.680 0.000 0.985 451 Y HN -0.018 nan 8.280 nan 0.000 0.542 452 R N -0.074 120.401 120.500 -0.041 0.000 2.075 452 R HA -0.116 4.218 4.340 -0.011 0.000 0.226 452 R C 2.337 178.617 176.300 -0.032 0.000 1.114 452 R CA 1.499 57.596 56.100 -0.006 0.000 0.972 452 R CB -0.145 30.157 30.300 0.004 0.000 0.869 452 R HN 0.408 nan 8.270 nan 0.000 0.437 453 S N 0.724 116.379 115.700 -0.074 0.000 2.348 453 S HA -0.112 4.352 4.470 -0.011 0.000 0.219 453 S C 1.733 176.288 174.600 -0.075 0.000 1.033 453 S CA 0.761 58.926 58.200 -0.059 0.000 0.974 453 S CB -0.155 63.017 63.200 -0.047 0.000 0.868 453 S HN 0.551 nan 8.310 nan 0.000 0.459 454 R N 0.439 120.857 120.500 -0.137 0.000 2.535 454 R HA 0.529 4.862 4.340 -0.011 0.000 0.323 454 R C 1.043 177.271 176.300 -0.121 0.000 0.979 454 R CA 0.141 56.167 56.100 -0.125 0.000 1.120 454 R CB -0.295 29.915 30.300 -0.151 0.000 1.306 454 R HN 0.450 nan 8.270 nan 0.000 0.540 455 G N 0.060 108.789 108.800 -0.119 0.000 2.249 455 G HA2 -0.129 3.825 3.960 -0.011 0.000 0.273 455 G HA3 -0.129 3.825 3.960 -0.011 0.000 0.273 455 G C 0.178 175.009 174.900 -0.115 0.000 1.036 455 G CA 0.178 45.262 45.100 -0.026 0.000 0.824 455 G HN 0.894 nan 8.290 nan 0.000 0.504 456 G N -2.634 105.812 108.800 -0.590 0.000 2.368 456 G HA2 0.594 4.548 3.960 -0.011 0.000 0.293 456 G HA3 0.594 4.548 3.960 -0.011 0.000 0.293 456 G C -0.894 173.396 174.900 -1.016 0.000 1.467 456 G CA 0.250 44.892 45.100 -0.765 0.000 0.804 456 G HN 1.805 nan 8.290 nan 0.000 0.535 457 C N 2.375 121.245 119.300 -0.716 0.000 3.199 457 C HA 0.536 4.990 4.460 -0.011 0.000 0.376 457 C C -2.632 172.183 174.990 -0.292 0.000 1.023 457 C CA -1.133 57.563 59.018 -0.538 0.000 1.304 457 C CB 0.589 27.918 27.740 -0.684 0.000 1.676 457 C HN 0.655 nan 8.230 nan 0.000 0.553 458 P HA 0.362 nan 4.420 nan 0.000 0.264 458 P C -0.463 176.724 177.300 -0.188 0.000 1.193 458 P CA 0.842 63.501 63.100 -0.735 0.000 0.763 458 P CB 0.956 32.062 31.700 -0.991 0.000 0.810 459 A N 2.618 125.421 122.820 -0.029 0.000 2.488 459 A HA 0.432 4.745 4.320 -0.011 0.000 0.298 459 A C -1.187 176.469 177.584 0.120 0.000 1.044 459 A CA -0.533 51.574 52.037 0.117 0.000 0.693 459 A CB 1.377 20.548 19.000 0.285 0.000 1.272 459 A HN 0.436 nan 8.150 nan 0.000 0.402 460 D N 1.883 122.346 120.400 0.105 0.000 2.473 460 D HA 0.170 4.804 4.640 -0.011 0.000 0.226 460 D C 0.804 177.236 176.300 0.220 0.000 1.089 460 D CA -0.570 53.528 54.000 0.163 0.000 0.883 460 D CB 0.330 41.194 40.800 0.106 0.000 1.029 460 D HN 0.581 nan 8.370 nan 0.000 0.517 461 W N 4.609 125.953 121.300 0.074 0.000 2.304 461 W HA -0.255 4.398 4.660 -0.011 0.000 0.315 461 W C 1.678 178.234 176.519 0.063 0.000 1.233 461 W CA 1.407 58.780 57.345 0.047 0.000 1.261 461 W CB -0.072 29.405 29.460 0.028 0.000 1.150 461 W HN 0.475 nan 8.180 nan 0.000 0.494 462 I N -1.165 119.708 120.570 0.505 0.000 2.335 462 I HA -0.301 3.863 4.170 -0.011 0.000 0.251 462 I C 1.787 178.018 176.117 0.190 0.000 1.129 462 I CA 1.464 63.003 61.300 0.398 0.000 1.402 462 I CB -0.713 37.538 38.000 0.419 0.000 1.069 462 I HN 0.133 nan 8.210 nan 0.000 0.424 463 W N -0.331 120.967 121.300 -0.004 0.000 2.588 463 W HA 0.049 4.704 4.660 -0.009 0.000 0.277 463 W C 2.125 178.554 176.519 -0.150 0.000 1.221 463 W CA 0.013 57.329 57.345 -0.048 0.000 1.355 463 W CB -0.355 29.103 29.460 -0.004 0.000 1.083 463 W HN -0.067 nan 8.180 nan 0.000 0.581 464 L N -0.124 121.075 121.223 -0.041 0.000 2.141 464 L HA -0.016 4.318 4.340 -0.011 0.000 0.209 464 L C 0.749 177.413 176.870 -0.344 0.000 1.094 464 L CA 0.866 55.543 54.840 -0.273 0.000 0.763 464 L CB -1.512 40.258 42.059 -0.480 0.000 0.908 464 L HN -0.380 nan 8.230 nan 0.000 0.437 465 V N 1.377 121.023 119.914 -0.447 0.000 2.470 465 V HA 0.158 4.272 4.120 -0.011 0.000 0.276 465 V C -1.823 174.102 176.094 -0.282 0.000 1.040 465 V CA -1.395 60.629 62.300 -0.460 0.000 1.008 465 V CB 0.529 31.855 31.823 -0.828 0.000 0.990 465 V HN 0.134 nan 8.190 nan 0.000 0.477 466 P HA 0.181 nan 4.420 nan 0.000 0.272 466 P C -1.948 175.236 177.300 -0.194 0.000 1.230 466 P CA -1.258 61.730 63.100 -0.185 0.000 0.788 466 P CB 0.147 31.764 31.700 -0.139 0.000 0.949 467 P HA 0.033 nan 4.420 nan 0.000 0.245 467 P C -0.118 177.081 177.300 -0.169 0.000 1.212 467 P CA 0.986 63.974 63.100 -0.187 0.000 0.774 467 P CB 0.012 31.592 31.700 -0.201 0.000 0.999 468 M N -4.650 114.826 119.600 -0.207 0.000 2.470 468 M HA 0.505 4.979 4.480 -0.011 0.000 0.285 468 M C -0.418 175.820 176.300 -0.104 0.000 1.213 468 M CA -0.575 54.628 55.300 -0.163 0.000 0.901 468 M CB 1.929 34.406 32.600 -0.204 0.000 1.718 468 M HN -0.365 nan 8.290 nan 0.000 0.469 469 S N 0.981 116.668 115.700 -0.022 0.000 3.581 469 S HA -0.180 4.283 4.470 -0.011 0.000 0.354 469 S C 1.135 175.743 174.600 0.013 0.000 1.059 469 S CA 0.931 59.157 58.200 0.043 0.000 1.060 469 S CB -1.811 61.505 63.200 0.194 0.000 0.908 469 S HN 1.221 nan 8.310 nan 0.000 0.475 470 G N 2.147 110.922 108.800 -0.043 0.000 2.599 470 G HA2 -0.345 3.608 3.960 -0.011 0.000 0.219 470 G HA3 -0.345 3.608 3.960 -0.011 0.000 0.219 470 G C 1.457 176.238 174.900 -0.198 0.000 1.193 470 G CA 1.598 46.666 45.100 -0.053 0.000 0.778 470 G HN 1.255 nan 8.290 nan 0.000 0.589 471 S N 0.115 115.460 115.700 -0.591 0.000 2.522 471 S HA 0.115 4.579 4.470 -0.011 0.000 0.227 471 S C 2.059 176.590 174.600 -0.116 0.000 0.986 471 S CA 0.433 58.097 58.200 -0.894 0.000 0.929 471 S CB -0.042 62.370 63.200 -1.313 0.000 0.769 471 S HN 0.208 nan 8.310 nan 0.000 0.529 472 I N 3.095 123.647 120.570 -0.030 0.000 2.830 472 I HA 0.011 4.175 4.170 -0.011 0.000 0.263 472 I C 1.447 177.668 176.117 0.172 0.000 1.230 472 I CA 0.746 62.100 61.300 0.090 0.000 1.480 472 I CB -2.015 36.056 38.000 0.119 0.000 1.095 472 I HN 0.515 nan 8.210 nan 0.000 0.455 473 T N -1.110 113.550 114.554 0.176 0.000 2.928 473 T HA 0.342 4.685 4.350 -0.011 0.000 0.284 473 T C -1.473 173.396 174.700 0.282 0.000 1.008 473 T CA -1.727 60.499 62.100 0.211 0.000 1.057 473 T CB 2.301 71.256 68.868 0.146 0.000 1.018 473 T HN -0.101 nan 8.240 nan 0.000 0.493 474 P HA -0.000 nan 4.420 nan 0.000 0.223 474 P C 1.666 179.182 177.300 0.360 0.000 1.151 474 P CA 0.302 63.608 63.100 0.344 0.000 0.787 474 P CB -0.107 31.739 31.700 0.244 0.000 0.788 475 V N -0.075 119.988 119.914 0.248 0.000 2.407 475 V HA -0.224 3.890 4.120 -0.011 0.000 0.248 475 V C 2.372 178.524 176.094 0.097 0.000 1.055 475 V CA 1.676 64.064 62.300 0.148 0.000 1.049 475 V CB -1.541 30.262 31.823 -0.033 0.000 0.662 475 V HN -0.011 nan 8.190 nan 0.000 0.455 476 F N 1.260 121.149 119.950 -0.101 0.000 2.202 476 F HA -0.214 4.306 4.527 -0.010 0.000 0.301 476 F C 2.032 177.963 175.800 0.219 0.000 1.082 476 F CA 2.029 59.989 58.000 -0.067 0.000 1.313 476 F CB -0.315 38.555 39.000 -0.217 0.000 1.024 476 F HN 0.363 nan 8.300 nan 0.000 0.495 477 H N -1.607 117.838 119.070 0.626 0.000 2.551 477 H HA 0.184 4.734 4.556 -0.011 0.000 0.271 477 H C 0.216 175.797 175.328 0.421 0.000 0.984 477 H CA 0.002 56.374 56.048 0.539 0.000 1.164 477 H CB -0.027 30.016 29.762 0.468 0.000 1.437 477 H HN 0.146 nan 8.280 nan 0.000 0.550 478 Q N 1.736 121.823 119.800 0.478 0.000 2.278 478 Q HA 0.175 4.508 4.340 -0.011 0.000 0.257 478 Q C -0.717 175.527 176.000 0.406 0.000 0.928 478 Q CA -0.432 55.594 55.803 0.373 0.000 0.932 478 Q CB 0.806 29.767 28.738 0.371 0.000 1.221 478 Q HN 0.331 nan 8.270 nan 0.000 0.434 479 E N 3.405 123.756 120.200 0.251 0.000 2.313 479 E HA 0.389 4.733 4.350 -0.011 0.000 0.276 479 E C -0.642 176.108 176.600 0.250 0.000 1.031 479 E CA -0.030 56.496 56.400 0.212 0.000 0.857 479 E CB 0.999 30.777 29.700 0.130 0.000 1.040 479 E HN 0.602 nan 8.360 nan 0.000 0.408 480 M N 2.256 122.008 119.600 0.255 0.000 2.631 480 M HA 0.446 4.920 4.480 -0.011 0.000 0.288 480 M C -1.200 175.230 176.300 0.218 0.000 1.260 480 M CA -0.698 54.770 55.300 0.280 0.000 0.842 480 M CB 1.883 34.687 32.600 0.340 0.000 1.743 480 M HN 0.205 nan 8.290 nan 0.000 0.461 481 L N 1.755 123.129 121.223 0.250 0.000 2.325 481 L HA 0.508 4.842 4.340 -0.011 0.000 0.281 481 L C -0.865 176.169 176.870 0.273 0.000 1.004 481 L CA -0.767 54.227 54.840 0.256 0.000 0.823 481 L CB 1.622 43.858 42.059 0.294 0.000 1.236 481 L HN 0.643 nan 8.230 nan 0.000 0.415 482 N N 3.550 122.384 118.700 0.223 0.000 2.438 482 N HA 0.538 5.272 4.740 -0.011 0.000 0.282 482 N C -1.419 174.239 175.510 0.247 0.000 1.037 482 N CA -0.069 53.061 53.050 0.132 0.000 0.942 482 N CB 0.809 39.360 38.487 0.106 0.000 1.136 482 N HN 0.403 nan 8.380 nan 0.000 0.481 483 Y N -0.530 119.783 120.300 0.023 0.000 2.641 483 Y HA 0.510 5.054 4.550 -0.010 0.000 0.333 483 Y C -1.478 174.378 175.900 -0.072 0.000 1.174 483 Y CA -1.304 56.784 58.100 -0.018 0.000 1.057 483 Y CB 0.489 38.954 38.460 0.008 0.000 1.322 483 Y HN 0.023 nan 8.280 nan 0.000 0.457 484 V N 4.248 124.146 119.914 -0.027 0.000 2.333 484 V HA 0.393 4.507 4.120 -0.011 0.000 0.274 484 V C 0.110 176.092 176.094 -0.188 0.000 1.028 484 V CA -0.341 61.718 62.300 -0.401 0.000 0.851 484 V CB 0.467 31.881 31.823 -0.681 0.000 1.000 484 V HN 0.738 nan 8.190 nan 0.000 0.456 485 L N 3.000 124.174 121.223 -0.083 0.000 2.751 485 L HA 0.699 5.033 4.340 -0.011 0.000 0.241 485 L C 0.357 177.261 176.870 0.057 0.000 1.146 485 L CA -0.422 54.445 54.840 0.045 0.000 0.879 485 L CB 1.461 43.572 42.059 0.088 0.000 1.687 485 L HN 0.583 nan 8.230 nan 0.000 0.527 486 S N -0.401 115.361 115.700 0.103 0.000 2.614 486 S HA 0.508 4.972 4.470 -0.011 0.000 0.275 486 S C -2.683 172.009 174.600 0.153 0.000 1.161 486 S CA -1.116 57.173 58.200 0.148 0.000 0.969 486 S CB 1.712 65.010 63.200 0.163 0.000 1.059 486 S HN 0.122 nan 8.310 nan 0.000 0.482 487 P HA 0.466 nan 4.420 nan 0.000 0.272 487 P C -1.294 176.009 177.300 0.005 0.000 1.230 487 P CA -0.151 62.980 63.100 0.052 0.000 0.788 487 P CB 0.284 31.957 31.700 -0.044 0.000 0.949 488 F N 0.918 120.709 119.950 -0.264 0.000 2.654 488 F HA 0.438 4.959 4.527 -0.010 0.000 0.308 488 F C -1.599 173.893 175.800 -0.513 0.000 1.108 488 F CA -0.772 56.978 58.000 -0.417 0.000 0.957 488 F CB 1.236 39.965 39.000 -0.451 0.000 1.309 488 F HN 0.174 nan 8.300 nan 0.000 0.446 489 Y N 4.485 124.240 120.300 -0.908 0.000 2.385 489 Y HA 0.437 4.982 4.550 -0.009 0.000 0.341 489 Y C -0.889 174.663 175.900 -0.579 0.000 0.965 489 Y CA -0.637 57.150 58.100 -0.522 0.000 1.180 489 Y CB 0.355 38.515 38.460 -0.499 0.000 1.139 489 Y HN 0.386 nan 8.280 nan 0.000 0.502 490 Y N 1.221 121.564 120.300 0.071 0.000 2.432 490 Y HA 0.365 4.908 4.550 -0.011 0.000 0.322 490 Y C -0.081 175.822 175.900 0.006 0.000 1.246 490 Y CA -0.972 57.173 58.100 0.076 0.000 1.268 490 Y CB 0.756 39.318 38.460 0.171 0.000 1.276 490 Y HN 0.426 nan 8.280 nan 0.000 0.499 491 Y N 0.391 120.863 120.300 0.286 0.000 2.282 491 Y HA 0.380 4.923 4.550 -0.010 0.000 0.335 491 Y C 0.029 176.004 175.900 0.125 0.000 1.335 491 Y CA -0.999 57.188 58.100 0.145 0.000 1.529 491 Y CB 0.487 39.001 38.460 0.089 0.000 1.429 491 Y HN 0.440 nan 8.280 nan 0.000 0.563 492 Q N -0.856 119.083 119.800 0.233 0.000 2.534 492 Q HA 0.488 4.822 4.340 -0.011 0.000 0.290 492 Q C -1.693 174.290 176.000 -0.028 0.000 0.991 492 Q CA -1.119 54.732 55.803 0.080 0.000 0.783 492 Q CB 2.638 31.399 28.738 0.038 0.000 1.470 492 Q HN 0.299 nan 8.270 nan 0.000 0.406 493 V N 1.471 121.328 119.914 -0.095 0.000 2.614 493 V HA 0.041 4.155 4.120 -0.011 0.000 0.291 493 V C 0.014 175.897 176.094 -0.352 0.000 1.049 493 V CA -0.110 62.076 62.300 -0.190 0.000 1.038 493 V CB 0.720 32.443 31.823 -0.166 0.000 0.980 493 V HN 0.670 nan 8.190 nan 0.000 0.481 494 E N 2.662 122.533 120.200 -0.548 0.000 2.529 494 E HA 0.113 4.457 4.350 -0.011 0.000 0.259 494 E C 1.252 177.215 176.600 -1.062 0.000 0.966 494 E CA 0.522 56.312 56.400 -1.017 0.000 0.937 494 E CB 0.586 29.271 29.700 -1.693 0.000 0.923 494 E HN 0.797 nan 8.360 nan 0.000 0.468 495 A N 4.173 126.362 122.820 -1.051 0.000 1.948 495 A HA -0.212 4.102 4.320 -0.011 0.000 0.220 495 A C 1.692 178.655 177.584 -1.034 0.000 1.177 495 A CA 1.909 53.304 52.037 -1.071 0.000 0.636 495 A CB -0.895 17.106 19.000 -1.666 0.000 0.815 495 A HN 0.953 nan 8.150 nan 0.000 0.449 496 W N -0.312 120.404 121.300 -0.973 0.000 2.525 496 W HA 0.086 4.740 4.660 -0.010 0.000 0.259 496 W C 1.441 177.916 176.519 -0.073 0.000 1.253 496 W CA 0.931 58.017 57.345 -0.431 0.000 1.262 496 W CB -0.134 29.271 29.460 -0.090 0.000 1.122 496 W HN 0.134 nan 8.180 nan 0.000 0.607 497 K N 0.428 120.647 120.400 -0.301 0.000 2.228 497 K HA 0.009 4.322 4.320 -0.011 0.000 0.202 497 K C 1.354 177.926 176.600 -0.046 0.000 1.051 497 K CA 1.626 57.842 56.287 -0.117 0.000 0.960 497 K CB -0.196 32.152 32.500 -0.252 0.000 0.743 497 K HN 0.252 nan 8.250 nan 0.000 0.458 498 T N -2.535 111.959 114.554 -0.100 0.000 3.252 498 T HA 0.098 4.441 4.350 -0.011 0.000 0.286 498 T C -0.429 174.275 174.700 0.006 0.000 1.013 498 T CA -0.580 61.492 62.100 -0.047 0.000 0.914 498 T CB -0.266 68.547 68.868 -0.092 0.000 1.131 498 T HN 0.053 nan 8.240 nan 0.000 0.529 499 H N 1.329 120.375 119.070 -0.040 0.000 2.562 499 H HA 0.557 5.107 4.556 -0.011 0.000 0.314 499 H C -0.590 174.716 175.328 -0.036 0.000 1.079 499 H CA -0.614 55.391 56.048 -0.071 0.000 1.349 499 H CB 0.952 30.664 29.762 -0.084 0.000 1.432 499 H HN 0.064 nan 8.280 nan 0.000 0.479 500 V N 6.694 126.236 119.914 -0.620 0.000 2.339 500 V HA 0.034 4.148 4.120 -0.011 0.000 0.261 500 V C -0.260 175.435 176.094 -0.666 0.000 1.058 500 V CA -0.653 61.411 62.300 -0.394 0.000 0.897 500 V CB -0.774 30.907 31.823 -0.237 0.000 1.052 500 V HN 0.730 nan 8.190 nan 0.000 0.480 501 W N 4.504 125.644 121.300 -0.266 0.000 2.251 501 W HA 0.360 5.014 4.660 -0.010 0.000 0.327 501 W C 0.921 177.417 176.519 -0.039 0.000 1.361 501 W CA -0.134 57.173 57.345 -0.063 0.000 1.234 501 W CB 0.426 29.943 29.460 0.095 0.000 1.212 501 W HN 0.640 nan 8.180 nan 0.000 0.557 502 Q N 1.649 121.564 119.800 0.191 0.000 2.364 502 Q HA 0.848 5.181 4.340 -0.011 0.000 0.204 502 Q C -0.310 175.777 176.000 0.146 0.000 1.002 502 Q CA -0.230 55.645 55.803 0.119 0.000 1.012 502 Q CB 1.257 30.029 28.738 0.057 0.000 1.188 502 Q HN 0.522 nan 8.270 nan 0.000 0.522 503 D N 0.000 120.456 120.400 0.093 0.000 6.856 503 D HA 0.000 4.634 4.640 -0.011 0.000 0.175 503 D CA 0.000 nan 54.000 nan 0.000 0.868 503 D CB 0.000 nan 40.800 nan 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683