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 2nsi_1_A 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 LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ 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 0.000 176.518 176.300 0.363 0.000 0.893 83 R CA 0.000 56.349 56.100 0.415 0.000 0.921 83 R CB 0.000 30.577 30.300 0.461 0.000 0.687 84 H N 1.599 120.787 119.070 0.198 0.000 2.481 84 H HA 0.444 4.997 4.556 -0.004 0.000 0.333 84 H C -0.711 174.677 175.328 0.101 0.000 1.066 84 H CA -0.503 55.650 56.048 0.176 0.000 1.209 84 H CB 2.131 31.962 29.762 0.115 0.000 1.445 84 H HN 0.188 nan 8.280 nan 0.000 0.488 85 V N 3.849 123.838 119.914 0.127 0.000 2.384 85 V HA 0.309 4.427 4.120 -0.004 0.000 0.287 85 V C 0.375 176.495 176.094 0.043 0.000 1.020 85 V CA -0.901 61.392 62.300 -0.012 0.000 0.850 85 V CB 1.232 32.896 31.823 -0.266 0.000 0.987 85 V HN 0.666 nan 8.190 nan 0.000 0.436 86 R N 5.668 126.193 120.500 0.041 0.000 2.298 86 R HA 0.604 4.941 4.340 -0.004 0.000 0.310 86 R C -0.645 175.664 176.300 0.016 0.000 1.068 86 R CA -0.257 55.862 56.100 0.032 0.000 0.957 86 R CB 0.562 30.869 30.300 0.013 0.000 1.003 86 R HN 0.841 nan 8.270 nan 0.000 0.454 87 I N 0.499 121.079 120.570 0.017 0.000 2.608 87 I HA 0.546 4.713 4.170 -0.004 0.000 0.295 87 I C -1.175 174.921 176.117 -0.035 0.000 1.049 87 I CA -1.063 60.250 61.300 0.021 0.000 1.063 87 I CB 2.181 40.219 38.000 0.065 0.000 1.248 87 I HN 0.486 nan 8.210 nan 0.000 0.424 88 K N 3.388 123.712 120.400 -0.127 0.000 2.318 88 K HA 0.399 4.716 4.320 -0.004 0.000 0.249 88 K C -1.074 175.356 176.600 -0.284 0.000 0.942 88 K CA -0.768 55.317 56.287 -0.337 0.000 0.808 88 K CB 1.725 33.780 32.500 -0.742 0.000 1.189 88 K HN 0.745 nan 8.250 nan 0.000 0.428 89 N N 3.673 122.239 118.700 -0.223 0.000 2.699 89 N HA 0.111 4.849 4.740 -0.004 0.000 0.232 89 N C -0.221 175.258 175.510 -0.051 0.000 1.027 89 N CA -0.522 52.527 53.050 -0.002 0.000 0.920 89 N CB 0.126 38.668 38.487 0.092 0.000 1.148 89 N HN 0.636 nan 8.380 nan 0.000 0.509 90 W N 2.134 123.520 121.300 0.142 0.000 2.389 90 W HA 0.003 4.661 4.660 -0.004 0.000 0.267 90 W C 2.061 178.621 176.519 0.068 0.000 1.219 90 W CA 0.800 58.213 57.345 0.114 0.000 1.189 90 W CB -0.091 29.462 29.460 0.154 0.000 1.129 90 W HN 0.614 nan 8.180 nan 0.000 0.581 91 G N -0.360 108.575 108.800 0.226 0.000 2.395 91 G HA2 -0.201 3.756 3.960 -0.004 0.000 0.214 91 G HA3 -0.201 3.756 3.960 -0.004 0.000 0.214 91 G C 1.539 176.456 174.900 0.027 0.000 1.177 91 G CA 1.301 46.415 45.100 0.023 0.000 0.794 91 G HN 0.303 nan 8.290 nan 0.000 0.532 92 S N -1.079 114.642 115.700 0.035 0.000 2.503 92 S HA 0.375 4.843 4.470 -0.004 0.000 0.215 92 S C 1.954 176.526 174.600 -0.046 0.000 1.003 92 S CA 1.034 59.233 58.200 -0.003 0.000 0.910 92 S CB 0.295 63.495 63.200 0.000 0.000 0.790 92 S HN 1.527 nan 8.310 nan 0.000 0.514 93 G N 1.568 110.324 108.800 -0.074 0.000 2.234 93 G HA2 -0.341 3.616 3.960 -0.004 0.000 0.260 93 G HA3 -0.341 3.616 3.960 -0.004 0.000 0.260 93 G C 0.067 174.838 174.900 -0.214 0.000 0.987 93 G CA 0.377 45.389 45.100 -0.148 0.000 0.625 93 G HN 0.642 nan 8.290 nan 0.000 0.532 94 M N 2.171 121.646 119.600 -0.208 0.000 2.269 94 M HA 0.428 4.906 4.480 -0.004 0.000 0.350 94 M C 0.534 176.575 176.300 -0.430 0.000 1.429 94 M CA 0.965 56.075 55.300 -0.317 0.000 1.063 94 M CB 0.544 32.940 32.600 -0.340 0.000 1.841 94 M HN 0.282 nan 8.290 nan 0.000 0.455 95 T N 4.846 119.125 114.554 -0.458 0.000 2.855 95 T HA 0.642 4.989 4.350 -0.004 0.000 0.281 95 T C -1.156 173.226 174.700 -0.530 0.000 1.007 95 T CA -0.496 61.359 62.100 -0.408 0.000 1.009 95 T CB 0.502 69.213 68.868 -0.261 0.000 0.983 95 T HN 0.529 nan 8.240 nan 0.000 0.455 96 F N 1.953 121.754 119.950 -0.247 0.000 2.556 96 F HA 0.583 5.107 4.527 -0.004 0.000 0.327 96 F C 0.413 176.112 175.800 -0.169 0.000 1.059 96 F CA -0.929 56.872 58.000 -0.331 0.000 0.953 96 F CB 1.991 40.485 39.000 -0.843 0.000 1.227 96 F HN 0.260 nan 8.300 nan 0.000 0.478 97 Q N 1.861 121.771 119.800 0.183 0.000 2.401 97 Q HA 0.149 4.486 4.340 -0.004 0.000 0.260 97 Q C -1.336 174.851 176.000 0.313 0.000 1.034 97 Q CA -0.381 55.556 55.803 0.225 0.000 0.737 97 Q CB 1.899 30.793 28.738 0.260 0.000 1.227 97 Q HN 0.609 nan 8.270 nan 0.000 0.488 98 D N 1.425 122.005 120.400 0.300 0.000 2.312 98 D HA 0.107 4.744 4.640 -0.004 0.000 0.252 98 D C 0.631 177.089 176.300 0.263 0.000 1.150 98 D CA 0.320 54.536 54.000 0.359 0.000 0.870 98 D CB 1.208 42.214 40.800 0.342 0.000 1.153 98 D HN 0.557 nan 8.370 nan 0.000 0.457 99 T N 0.862 115.511 114.554 0.158 0.000 2.964 99 T HA -0.045 4.302 4.350 -0.004 0.000 0.250 99 T C 1.843 176.463 174.700 -0.134 0.000 0.982 99 T CA -0.270 61.815 62.100 -0.024 0.000 0.959 99 T CB -0.090 68.669 68.868 -0.181 0.000 1.141 99 T HN 0.243 nan 8.240 nan 0.000 0.494 100 L N 3.179 124.360 121.223 -0.069 0.000 2.349 100 L HA -0.058 4.279 4.340 -0.004 0.000 0.220 100 L C 2.471 179.108 176.870 -0.388 0.000 1.130 100 L CA 1.704 56.457 54.840 -0.145 0.000 0.791 100 L CB -0.813 41.219 42.059 -0.045 0.000 0.918 100 L HN 0.587 nan 8.230 nan 0.000 0.444 101 H N -3.086 115.605 119.070 -0.632 0.000 2.518 101 H HA -0.161 4.393 4.556 -0.004 0.000 0.289 101 H C 1.673 176.650 175.328 -0.585 0.000 1.051 101 H CA 1.750 57.170 56.048 -1.047 0.000 1.280 101 H CB -0.755 28.524 29.762 -0.805 0.000 1.380 101 H HN 0.548 nan 8.280 nan 0.000 0.566 102 H N 1.010 119.608 119.070 -0.788 0.000 2.363 102 H HA 0.013 4.566 4.556 -0.004 0.000 0.301 102 H C 2.325 177.482 175.328 -0.285 0.000 1.074 102 H CA 1.250 56.999 56.048 -0.499 0.000 1.354 102 H CB 0.333 29.819 29.762 -0.459 0.000 1.397 102 H HN 0.260 nan 8.280 nan 0.000 0.516 103 K N 1.099 121.420 120.400 -0.131 0.000 2.515 103 K HA 0.044 4.361 4.320 -0.004 0.000 0.196 103 K C 0.074 176.633 176.600 -0.068 0.000 1.038 103 K CA 0.273 56.515 56.287 -0.076 0.000 0.967 103 K CB 0.119 32.582 32.500 -0.062 0.000 0.780 103 K HN 0.186 nan 8.250 nan 0.000 0.483 104 A N 2.656 125.397 122.820 -0.131 0.000 2.366 104 A HA 0.133 4.450 4.320 -0.004 0.000 0.272 104 A C -0.529 177.027 177.584 -0.047 0.000 1.135 104 A CA -0.607 51.382 52.037 -0.079 0.000 0.804 104 A CB 0.213 19.129 19.000 -0.140 0.000 1.064 104 A HN 0.355 nan 8.150 nan 0.000 0.499 105 K N 2.639 123.025 120.400 -0.022 0.000 2.368 105 K HA 0.229 4.546 4.320 -0.004 0.000 0.282 105 K C 0.493 177.087 176.600 -0.010 0.000 1.035 105 K CA 0.297 56.577 56.287 -0.013 0.000 0.973 105 K CB 0.490 32.987 32.500 -0.005 0.000 0.957 105 K HN 0.580 nan 8.250 nan 0.000 0.474 106 G N 4.590 113.387 108.800 -0.004 0.000 3.284 106 G HA2 0.207 4.165 3.960 -0.004 0.000 0.251 106 G HA3 0.207 4.165 3.960 -0.004 0.000 0.251 106 G C 0.246 175.150 174.900 0.007 0.000 0.913 106 G CA -0.647 44.455 45.100 0.003 0.000 1.947 106 G HN 0.772 nan 8.290 nan 0.000 0.635 107 I N -1.326 119.247 120.570 0.006 0.000 2.503 107 I HA 0.651 4.818 4.170 -0.004 0.000 0.277 107 I C -1.143 174.986 176.117 0.020 0.000 1.078 107 I CA -0.921 60.386 61.300 0.011 0.000 1.184 107 I CB 0.980 38.987 38.000 0.012 0.000 1.353 107 I HN -0.188 nan 8.210 nan 0.000 0.490 108 L N 3.864 125.101 121.223 0.024 0.000 2.388 108 L HA 0.481 4.819 4.340 -0.004 0.000 0.264 108 L C 1.236 178.124 176.870 0.031 0.000 0.998 108 L CA -0.138 54.721 54.840 0.032 0.000 0.817 108 L CB 2.383 44.463 42.059 0.036 0.000 1.338 108 L HN 0.364 nan 8.230 nan 0.000 0.414 109 T N -0.873 113.703 114.554 0.035 0.000 3.035 109 T HA -0.022 4.325 4.350 -0.004 0.000 0.268 109 T C 0.655 175.371 174.700 0.028 0.000 1.109 109 T CA 0.690 62.808 62.100 0.031 0.000 1.119 109 T CB -0.292 68.596 68.868 0.033 0.000 0.900 109 T HN 0.750 nan 8.240 nan 0.000 0.503 110 C N 2.210 121.528 119.300 0.030 0.000 2.365 110 C HA 0.916 5.373 4.460 -0.004 0.000 0.374 110 C C 0.388 175.392 174.990 0.023 0.000 1.318 110 C CA -1.424 57.610 59.018 0.027 0.000 2.239 110 C CB 0.939 28.697 27.740 0.030 0.000 2.144 110 C HN 0.648 nan 8.230 nan 0.000 0.581 111 R N -1.007 119.505 120.500 0.019 0.000 3.034 111 R HA 0.476 4.814 4.340 -0.004 0.000 0.264 111 R C -0.451 175.857 176.300 0.013 0.000 1.030 111 R CA -0.299 55.811 56.100 0.016 0.000 0.903 111 R CB 0.667 30.976 30.300 0.014 0.000 1.414 111 R HN 0.534 nan 8.270 nan 0.000 0.429 112 S N -0.062 115.645 115.700 0.011 0.000 2.699 112 S HA 0.125 4.592 4.470 -0.004 0.000 0.251 112 S C 0.089 174.694 174.600 0.008 0.000 1.179 112 S CA 0.108 58.313 58.200 0.009 0.000 1.200 112 S CB -0.508 62.697 63.200 0.010 0.000 0.848 112 S HN 0.555 nan 8.310 nan 0.000 0.472 113 K N -0.672 119.732 120.400 0.008 0.000 2.548 113 K HA 0.095 4.412 4.320 -0.004 0.000 0.193 113 K C -0.517 176.087 176.600 0.007 0.000 1.714 113 K CA 0.045 56.336 56.287 0.007 0.000 1.024 113 K CB 0.048 32.553 32.500 0.008 0.000 1.484 113 K HN 0.289 nan 8.250 nan 0.000 0.602 114 S N 0.306 116.011 115.700 0.009 0.000 2.194 114 S HA 0.117 4.584 4.470 -0.004 0.000 0.249 114 S C -0.693 173.914 174.600 0.013 0.000 0.777 114 S CA -0.747 57.459 58.200 0.010 0.000 0.947 114 S CB -0.345 62.862 63.200 0.011 0.000 1.282 114 S HN 0.324 nan 8.310 nan 0.000 0.383 115 C N 5.668 124.975 119.300 0.012 0.000 2.624 115 C HA 0.336 4.794 4.460 -0.004 0.000 0.397 115 C C 1.312 176.316 174.990 0.022 0.000 1.331 115 C CA -0.475 58.553 59.018 0.017 0.000 1.716 115 C CB -1.368 26.380 27.740 0.013 0.000 2.452 115 C HN 0.883 nan 8.230 nan 0.000 0.586 116 L N 6.862 128.101 121.223 0.028 0.000 2.930 116 L HA 0.197 4.534 4.340 -0.004 0.000 0.250 116 L C 1.445 178.342 176.870 0.045 0.000 1.320 116 L CA 0.687 55.547 54.840 0.033 0.000 1.163 116 L CB -1.497 40.581 42.059 0.032 0.000 1.542 116 L HN 1.003 nan 8.230 nan 0.000 0.428 117 G N -1.098 107.730 108.800 0.046 0.000 2.320 117 G HA2 0.348 4.305 3.960 -0.004 0.000 0.300 117 G HA3 0.348 4.305 3.960 -0.004 0.000 0.300 117 G C 0.609 175.553 174.900 0.074 0.000 1.126 117 G CA 0.295 45.433 45.100 0.063 0.000 0.896 117 G HN 0.296 nan 8.290 nan 0.000 0.436 118 S N 1.253 117.016 115.700 0.105 0.000 2.066 118 S HA -0.161 4.306 4.470 -0.004 0.000 0.234 118 S C 0.164 174.834 174.600 0.116 0.000 1.363 118 S CA -0.489 57.783 58.200 0.119 0.000 1.043 118 S CB -1.307 61.943 63.200 0.084 0.000 1.319 118 S HN 0.504 nan 8.310 nan 0.000 0.645 119 I N 3.139 123.769 120.570 0.101 0.000 2.371 119 I HA 0.329 4.496 4.170 -0.004 0.000 0.290 119 I C 1.711 177.889 176.117 0.102 0.000 1.028 119 I CA -0.101 61.246 61.300 0.080 0.000 1.345 119 I CB 0.854 38.882 38.000 0.046 0.000 1.407 119 I HN 0.443 nan 8.210 nan 0.000 0.501 120 M N 5.014 124.675 119.600 0.102 0.000 2.073 120 M HA -0.157 4.321 4.480 -0.004 0.000 0.258 120 M C 0.757 177.032 176.300 -0.041 0.000 1.070 120 M CA 1.981 57.360 55.300 0.132 0.000 1.103 120 M CB -0.178 32.478 32.600 0.093 0.000 1.321 120 M HN 0.686 nan 8.290 nan 0.000 0.405 121 T N -1.381 113.101 114.554 -0.119 0.000 3.209 121 T HA 0.558 4.906 4.350 -0.004 0.000 0.366 121 T C -2.603 172.027 174.700 -0.117 0.000 1.293 121 T CA -1.526 60.406 62.100 -0.279 0.000 1.417 121 T CB 0.344 68.973 68.868 -0.399 0.000 1.013 121 T HN 0.039 nan 8.240 nan 0.000 0.572 122 P HA 0.265 nan 4.420 nan 0.000 0.269 122 P C 1.121 178.442 177.300 0.034 0.000 1.215 122 P CA -0.631 62.476 63.100 0.012 0.000 0.780 122 P CB 0.864 32.588 31.700 0.039 0.000 0.898 123 K N 1.077 121.498 120.400 0.034 0.000 2.209 123 K HA -0.092 4.226 4.320 -0.004 0.000 0.204 123 K C 1.810 178.455 176.600 0.074 0.000 1.048 123 K CA 1.737 58.049 56.287 0.042 0.000 0.940 123 K CB -0.671 31.842 32.500 0.023 0.000 0.729 123 K HN 0.600 nan 8.250 nan 0.000 0.451 124 S N 0.344 116.092 115.700 0.080 0.000 2.419 124 S HA -0.082 4.385 4.470 -0.004 0.000 0.233 124 S C 1.940 176.658 174.600 0.198 0.000 1.016 124 S CA 0.772 59.033 58.200 0.102 0.000 0.974 124 S CB -0.316 62.927 63.200 0.072 0.000 0.786 124 S HN 0.259 nan 8.310 nan 0.000 0.492 125 L N 1.297 122.665 121.223 0.241 0.000 2.567 125 L HA 0.179 4.516 4.340 -0.004 0.000 0.225 125 L C 0.302 177.508 176.870 0.560 0.000 1.119 125 L CA 0.151 55.240 54.840 0.416 0.000 0.871 125 L CB -0.375 41.935 42.059 0.418 0.000 1.036 125 L HN 0.282 nan 8.230 nan 0.000 0.459 126 T N -0.307 114.457 114.554 0.351 0.000 2.907 126 T HA 0.395 4.743 4.350 -0.004 0.000 0.284 126 T C -0.091 174.690 174.700 0.135 0.000 1.004 126 T CA -0.431 61.832 62.100 0.271 0.000 1.063 126 T CB 2.065 71.013 68.868 0.132 0.000 0.992 126 T HN -0.075 nan 8.240 nan 0.000 0.483 127 R N 1.375 121.918 120.500 0.072 0.000 2.513 127 R HA 0.483 4.820 4.340 -0.004 0.000 0.283 127 R C 0.457 176.732 176.300 -0.041 0.000 1.535 127 R CA -0.400 55.640 56.100 -0.101 0.000 1.315 127 R CB 0.041 30.187 30.300 -0.255 0.000 1.163 127 R HN 0.869 nan 8.270 nan 0.000 0.573 128 G N 3.045 111.817 108.800 -0.046 0.000 2.661 128 G HA2 0.189 4.147 3.960 -0.004 0.000 0.272 128 G HA3 0.189 4.147 3.960 -0.004 0.000 0.272 128 G C -1.937 172.933 174.900 -0.051 0.000 1.296 128 G CA -0.650 44.423 45.100 -0.045 0.000 0.998 128 G HN 0.529 nan 8.290 nan 0.000 0.553 129 P HA 0.398 nan 4.420 nan 0.000 0.279 129 P C -0.748 176.527 177.300 -0.040 0.000 1.276 129 P CA -0.457 62.615 63.100 -0.046 0.000 0.801 129 P CB 1.318 32.983 31.700 -0.057 0.000 1.127 130 R N -0.533 119.948 120.500 -0.031 0.000 2.817 130 R HA 0.510 4.848 4.340 -0.004 0.000 0.268 130 R C -0.461 175.830 176.300 -0.015 0.000 1.027 130 R CA -0.740 55.344 56.100 -0.026 0.000 0.928 130 R CB 0.813 31.095 30.300 -0.030 0.000 1.228 130 R HN 0.309 nan 8.270 nan 0.000 0.469 131 D N -0.213 120.180 120.400 -0.013 0.000 2.514 131 D HA 0.165 4.803 4.640 -0.004 0.000 0.225 131 D C -0.550 175.749 176.300 -0.001 0.000 1.159 131 D CA -0.151 53.847 54.000 -0.003 0.000 0.823 131 D CB 0.664 41.459 40.800 -0.008 0.000 1.097 131 D HN 0.426 nan 8.370 nan 0.000 0.519 132 K N 0.949 121.344 120.400 -0.010 0.000 2.427 132 K HA 0.526 4.844 4.320 -0.004 0.000 0.252 132 K C -2.877 173.711 176.600 -0.020 0.000 0.931 132 K CA -1.878 54.402 56.287 -0.013 0.000 0.793 132 K CB 2.591 35.083 32.500 -0.012 0.000 1.211 132 K HN -0.216 nan 8.250 nan 0.000 0.426 133 P HA -0.040 nan 4.420 nan 0.000 0.269 133 P C -0.752 176.533 177.300 -0.026 0.000 1.217 133 P CA -0.116 62.965 63.100 -0.032 0.000 0.783 133 P CB 0.316 31.995 31.700 -0.034 0.000 0.898 134 T N 3.409 117.946 114.554 -0.028 0.000 2.817 134 T HA 0.145 4.492 4.350 -0.004 0.000 0.295 134 T C -2.147 172.549 174.700 -0.006 0.000 0.958 134 T CA -0.871 61.218 62.100 -0.019 0.000 1.157 134 T CB -0.711 68.145 68.868 -0.019 0.000 0.898 134 T HN 0.276 nan 8.240 nan 0.000 0.536 135 P HA 0.063 nan 4.420 nan 0.000 0.256 135 P C -1.796 175.508 177.300 0.007 0.000 1.173 135 P CA -1.043 62.056 63.100 -0.001 0.000 0.768 135 P CB 0.145 31.843 31.700 -0.003 0.000 0.758 136 P HA -0.240 nan 4.420 nan 0.000 0.217 136 P C 0.944 178.250 177.300 0.009 0.000 1.151 136 P CA 1.522 64.632 63.100 0.015 0.000 0.849 136 P CB -0.030 31.676 31.700 0.010 0.000 0.787 137 D N -0.546 119.856 120.400 0.004 0.000 2.144 137 D HA -0.171 4.467 4.640 -0.004 0.000 0.199 137 D C 1.854 178.156 176.300 0.004 0.000 0.984 137 D CA 1.283 55.283 54.000 0.001 0.000 0.834 137 D CB -0.191 40.608 40.800 -0.001 0.000 0.955 137 D HN 0.521 nan 8.370 nan 0.000 0.465 138 E N 0.531 120.735 120.200 0.007 0.000 2.385 138 E HA -0.058 4.290 4.350 -0.004 0.000 0.194 138 E C 2.138 178.751 176.600 0.021 0.000 1.013 138 E CA 0.047 56.453 56.400 0.010 0.000 0.866 138 E CB -0.152 29.550 29.700 0.005 0.000 0.832 138 E HN 0.090 nan 8.360 nan 0.000 0.500 139 L N 0.814 122.054 121.223 0.029 0.000 2.179 139 L HA 0.043 4.380 4.340 -0.004 0.000 0.208 139 L C 2.068 178.967 176.870 0.048 0.000 1.096 139 L CA 0.987 55.862 54.840 0.058 0.000 0.779 139 L CB -0.349 41.758 42.059 0.080 0.000 0.922 139 L HN 0.267 nan 8.230 nan 0.000 0.443 140 L N 0.467 121.697 121.223 0.011 0.000 1.989 140 L HA -0.079 4.259 4.340 -0.004 0.000 0.211 140 L C -0.489 176.377 176.870 -0.007 0.000 1.071 140 L CA 2.060 56.886 54.840 -0.024 0.000 0.749 140 L CB -1.744 40.299 42.059 -0.027 0.000 0.890 140 L HN 0.171 nan 8.230 nan 0.000 0.431 141 P HA -0.208 nan 4.420 nan 0.000 0.216 141 P C 1.450 178.781 177.300 0.052 0.000 1.153 141 P CA 1.663 64.777 63.100 0.024 0.000 0.858 141 P CB -0.092 31.621 31.700 0.021 0.000 0.789 142 Q N -0.809 119.032 119.800 0.068 0.000 2.079 142 Q HA -0.104 4.233 4.340 -0.004 0.000 0.200 142 Q C 2.266 178.366 176.000 0.166 0.000 0.974 142 Q CA 1.539 57.410 55.803 0.113 0.000 0.840 142 Q CB -0.751 28.051 28.738 0.108 0.000 0.898 142 Q HN 0.177 nan 8.270 nan 0.000 0.430 143 A N 1.376 124.266 122.820 0.118 0.000 1.877 143 A HA -0.189 4.129 4.320 -0.004 0.000 0.216 143 A C 2.047 179.701 177.584 0.116 0.000 1.186 143 A CA 1.256 53.342 52.037 0.080 0.000 0.620 143 A CB -0.524 18.293 19.000 -0.306 0.000 0.822 143 A HN 0.235 nan 8.150 nan 0.000 0.443 144 I N -0.092 120.510 120.570 0.054 0.000 2.179 144 I HA -0.184 3.983 4.170 -0.004 0.000 0.242 144 I C 2.464 178.659 176.117 0.130 0.000 1.088 144 I CA 1.344 62.688 61.300 0.073 0.000 1.357 144 I CB -1.619 36.402 38.000 0.034 0.000 1.051 144 I HN 0.357 nan 8.210 nan 0.000 0.409 145 E N 0.610 120.890 120.200 0.133 0.000 2.086 145 E HA -0.280 4.067 4.350 -0.004 0.000 0.200 145 E C 2.178 178.892 176.600 0.191 0.000 1.012 145 E CA 1.566 58.051 56.400 0.143 0.000 0.812 145 E CB -0.503 29.279 29.700 0.136 0.000 0.743 145 E HN 0.455 nan 8.360 nan 0.000 0.453 146 F N 1.170 121.200 119.950 0.133 0.000 2.075 146 F HA -0.222 4.302 4.527 -0.004 0.000 0.297 146 F C 2.323 178.236 175.800 0.188 0.000 1.113 146 F CA 1.396 59.502 58.000 0.177 0.000 1.218 146 F CB -0.623 38.498 39.000 0.201 0.000 0.984 146 F HN -0.174 nan 8.300 nan 0.000 0.472 147 V N 1.372 121.292 119.914 0.009 0.000 2.370 147 V HA -0.395 3.723 4.120 -0.004 0.000 0.252 147 V C 2.229 178.339 176.094 0.027 0.000 1.068 147 V CA 2.232 64.520 62.300 -0.019 0.000 1.061 147 V CB -1.083 30.864 31.823 0.207 0.000 0.656 147 V HN 0.405 nan 8.190 nan 0.000 0.455 148 N N -0.041 118.710 118.700 0.084 0.000 2.106 148 N HA -0.193 4.544 4.740 -0.004 0.000 0.188 148 N C 1.919 177.407 175.510 -0.037 0.000 1.029 148 N CA 1.662 54.778 53.050 0.110 0.000 0.848 148 N CB -0.458 38.118 38.487 0.148 0.000 1.007 148 N HN 0.649 nan 8.380 nan 0.000 0.423 149 Q N -0.461 119.296 119.800 -0.073 0.000 2.096 149 Q HA -0.213 4.125 4.340 -0.004 0.000 0.204 149 Q C 1.974 177.787 176.000 -0.310 0.000 0.982 149 Q CA 1.327 57.079 55.803 -0.084 0.000 0.850 149 Q CB -0.188 28.578 28.738 0.046 0.000 0.901 149 Q HN 0.481 nan 8.270 nan 0.000 0.422 150 Y N -0.268 119.578 120.300 -0.757 0.000 2.114 150 Y HA -0.286 4.261 4.550 -0.005 0.000 0.284 150 Y C 1.529 176.941 175.900 -0.814 0.000 1.143 150 Y CA 1.983 59.330 58.100 -1.255 0.000 1.135 150 Y CB -0.507 37.204 38.460 -1.248 0.000 0.980 150 Y HN 0.179 nan 8.280 nan 0.000 0.499 151 Y N -0.071 119.966 120.300 -0.439 0.000 2.439 151 Y HA 0.019 4.567 4.550 -0.003 0.000 0.292 151 Y C 2.580 178.347 175.900 -0.221 0.000 1.130 151 Y CA 1.133 59.031 58.100 -0.337 0.000 1.254 151 Y CB -0.746 37.291 38.460 -0.705 0.000 1.000 151 Y HN 0.246 nan 8.280 nan 0.000 0.554 152 G N -1.161 107.552 108.800 -0.146 0.000 2.534 152 G HA2 -0.209 3.748 3.960 -0.004 0.000 0.217 152 G HA3 -0.209 3.748 3.960 -0.004 0.000 0.217 152 G C 1.810 176.631 174.900 -0.133 0.000 1.128 152 G CA 0.987 46.039 45.100 -0.080 0.000 0.784 152 G HN 0.467 nan 8.290 nan 0.000 0.542 153 S N 0.183 115.688 115.700 -0.324 0.000 2.387 153 S HA 0.148 4.615 4.470 -0.004 0.000 0.226 153 S C 0.860 175.229 174.600 -0.385 0.000 1.026 153 S CA -0.257 57.720 58.200 -0.372 0.000 0.972 153 S CB -0.392 62.448 63.200 -0.600 0.000 0.814 153 S HN 0.070 nan 8.310 nan 0.000 0.477 154 F N 3.779 123.556 119.950 -0.287 0.000 2.563 154 F HA 0.247 4.772 4.527 -0.003 0.000 0.363 154 F C 1.918 177.654 175.800 -0.105 0.000 1.123 154 F CA -0.609 57.272 58.000 -0.198 0.000 1.307 154 F CB 0.570 39.441 39.000 -0.215 0.000 1.115 154 F HN 0.062 nan 8.300 nan 0.000 0.592 155 K N 1.747 122.212 120.400 0.108 0.000 1.963 155 K HA -0.168 4.150 4.320 -0.004 0.000 0.216 155 K C 0.004 176.644 176.600 0.065 0.000 1.045 155 K CA 1.250 57.572 56.287 0.058 0.000 0.954 155 K CB -0.975 31.552 32.500 0.043 0.000 0.732 155 K HN 0.590 nan 8.250 nan 0.000 0.442 156 E N 1.800 122.042 120.200 0.070 0.000 2.194 156 E HA 0.486 4.833 4.350 -0.004 0.000 0.284 156 E C -0.781 175.844 176.600 0.041 0.000 1.035 156 E CA -0.480 55.945 56.400 0.041 0.000 0.836 156 E CB 1.139 30.851 29.700 0.020 0.000 1.070 156 E HN 0.408 nan 8.360 nan 0.000 0.401 157 A N 4.472 127.314 122.820 0.037 0.000 2.540 157 A HA 0.089 4.406 4.320 -0.004 0.000 0.239 157 A C 0.015 177.596 177.584 -0.004 0.000 1.061 157 A CA -0.334 51.725 52.037 0.038 0.000 0.758 157 A CB 0.133 19.160 19.000 0.045 0.000 0.991 157 A HN 0.472 nan 8.150 nan 0.000 0.502 158 K N 4.288 124.674 120.400 -0.024 0.000 2.559 158 K HA 0.170 4.487 4.320 -0.004 0.000 0.236 158 K C 0.788 177.334 176.600 -0.090 0.000 1.185 158 K CA -0.502 55.740 56.287 -0.074 0.000 1.157 158 K CB 0.070 32.510 32.500 -0.100 0.000 1.782 158 K HN 0.664 nan 8.250 nan 0.000 0.419 159 I N 0.559 121.100 120.570 -0.049 0.000 2.185 159 I HA -0.331 3.836 4.170 -0.004 0.000 0.246 159 I C 2.238 178.294 176.117 -0.102 0.000 1.088 159 I CA 1.599 62.864 61.300 -0.059 0.000 1.347 159 I CB -0.660 37.308 38.000 -0.053 0.000 1.041 159 I HN 0.420 nan 8.210 nan 0.000 0.415 160 E N 1.677 121.823 120.200 -0.090 0.000 2.000 160 E HA -0.231 4.117 4.350 -0.004 0.000 0.199 160 E C 2.101 178.632 176.600 -0.114 0.000 1.011 160 E CA 1.913 58.261 56.400 -0.087 0.000 0.836 160 E CB -0.263 29.400 29.700 -0.062 0.000 0.778 160 E HN 0.484 nan 8.360 nan 0.000 0.462 161 E N -0.857 119.270 120.200 -0.122 0.000 2.130 161 E HA -0.278 4.069 4.350 -0.004 0.000 0.196 161 E C 2.157 178.560 176.600 -0.328 0.000 0.998 161 E CA 1.313 57.635 56.400 -0.130 0.000 0.806 161 E CB -0.366 29.320 29.700 -0.023 0.000 0.738 161 E HN 0.513 nan 8.360 nan 0.000 0.459 162 H N 0.607 119.219 119.070 -0.763 0.000 2.253 162 H HA -0.149 4.405 4.556 -0.004 0.000 0.296 162 H C 2.378 177.428 175.328 -0.464 0.000 1.074 162 H CA 1.223 56.639 56.048 -1.053 0.000 1.263 162 H CB -0.000 29.311 29.762 -0.752 0.000 1.363 162 H HN 0.102 nan 8.280 nan 0.000 0.489 163 L N 0.907 121.997 121.223 -0.222 0.000 2.042 163 L HA -0.178 4.159 4.340 -0.004 0.000 0.210 163 L C 2.567 179.371 176.870 -0.111 0.000 1.076 163 L CA 1.896 56.617 54.840 -0.198 0.000 0.749 163 L CB -1.506 40.449 42.059 -0.174 0.000 0.893 163 L HN 0.503 nan 8.230 nan 0.000 0.432 164 A N 0.081 122.845 122.820 -0.093 0.000 1.908 164 A HA -0.292 4.026 4.320 -0.004 0.000 0.218 164 A C 2.331 179.907 177.584 -0.013 0.000 1.181 164 A CA 1.979 53.988 52.037 -0.047 0.000 0.627 164 A CB -0.581 18.398 19.000 -0.035 0.000 0.818 164 A HN 0.472 nan 8.150 nan 0.000 0.445 165 R N -0.097 120.405 120.500 0.004 0.000 2.062 165 R HA -0.073 4.265 4.340 -0.004 0.000 0.231 165 R C 1.884 178.220 176.300 0.060 0.000 1.136 165 R CA 2.043 58.191 56.100 0.080 0.000 0.948 165 R CB -1.232 29.197 30.300 0.215 0.000 0.845 165 R HN 0.254 nan 8.270 nan 0.000 0.430 166 V N 0.900 120.842 119.914 0.046 0.000 2.324 166 V HA -0.268 3.849 4.120 -0.004 0.000 0.250 166 V C 2.212 178.295 176.094 -0.019 0.000 1.060 166 V CA 2.336 64.646 62.300 0.018 0.000 1.042 166 V CB -0.613 31.198 31.823 -0.019 0.000 0.650 166 V HN 0.381 nan 8.190 nan 0.000 0.450 167 E N 0.214 120.399 120.200 -0.025 0.000 2.007 167 E HA -0.152 4.195 4.350 -0.004 0.000 0.194 167 E C 2.310 178.900 176.600 -0.017 0.000 0.999 167 E CA 1.506 57.890 56.400 -0.028 0.000 0.811 167 E CB -0.617 29.066 29.700 -0.029 0.000 0.762 167 E HN 0.506 nan 8.360 nan 0.000 0.450 168 A N 0.135 122.954 122.820 -0.001 0.000 1.927 168 A HA -0.240 4.078 4.320 -0.004 0.000 0.220 168 A C 2.455 180.044 177.584 0.008 0.000 1.185 168 A CA 1.970 54.015 52.037 0.013 0.000 0.639 168 A CB -0.957 18.062 19.000 0.033 0.000 0.820 168 A HN 0.202 nan 8.150 nan 0.000 0.451 169 V N -0.431 119.476 119.914 -0.012 0.000 2.270 169 V HA -0.231 3.886 4.120 -0.004 0.000 0.245 169 V C 2.746 178.771 176.094 -0.114 0.000 1.043 169 V CA 2.473 64.723 62.300 -0.084 0.000 1.014 169 V CB -1.477 30.245 31.823 -0.168 0.000 0.645 169 V HN 0.632 nan 8.190 nan 0.000 0.447 170 T N 0.121 114.621 114.554 -0.090 0.000 2.635 170 T HA -0.315 4.033 4.350 -0.004 0.000 0.267 170 T C 1.916 176.590 174.700 -0.043 0.000 1.040 170 T CA 2.158 64.214 62.100 -0.073 0.000 1.156 170 T CB -0.305 68.532 68.868 -0.052 0.000 0.863 170 T HN 0.422 nan 8.240 nan 0.000 0.430 171 K N 1.421 121.805 120.400 -0.026 0.000 2.001 171 K HA -0.190 4.127 4.320 -0.004 0.000 0.214 171 K C 2.285 178.885 176.600 -0.000 0.000 1.050 171 K CA 2.100 58.381 56.287 -0.011 0.000 0.934 171 K CB -0.415 32.082 32.500 -0.004 0.000 0.718 171 K HN 0.444 nan 8.250 nan 0.000 0.443 172 E N -0.037 120.169 120.200 0.010 0.000 2.097 172 E HA -0.213 4.134 4.350 -0.004 0.000 0.196 172 E C 1.987 178.614 176.600 0.045 0.000 1.000 172 E CA 1.821 58.244 56.400 0.039 0.000 0.804 172 E CB -0.149 29.597 29.700 0.077 0.000 0.740 172 E HN 0.460 nan 8.360 nan 0.000 0.454 173 I N 1.253 121.834 120.570 0.019 0.000 2.226 173 I HA -0.261 3.906 4.170 -0.004 0.000 0.245 173 I C 2.416 178.544 176.117 0.019 0.000 1.100 173 I CA 1.580 62.897 61.300 0.029 0.000 1.374 173 I CB -0.483 37.500 38.000 -0.028 0.000 1.057 173 I HN 0.257 nan 8.210 nan 0.000 0.413 174 E N 0.519 120.721 120.200 0.002 0.000 2.299 174 E HA -0.121 4.226 4.350 -0.004 0.000 0.193 174 E C 1.802 178.405 176.600 0.005 0.000 0.998 174 E CA 1.482 57.883 56.400 0.001 0.000 0.851 174 E CB -0.319 29.378 29.700 -0.006 0.000 0.795 174 E HN 0.535 nan 8.360 nan 0.000 0.492 175 T N -1.180 113.380 114.554 0.009 0.000 3.051 175 T HA -0.004 4.343 4.350 -0.004 0.000 0.255 175 T C 1.988 176.696 174.700 0.012 0.000 1.085 175 T CA 1.083 63.188 62.100 0.009 0.000 1.109 175 T CB 0.160 69.033 68.868 0.010 0.000 0.921 175 T HN 0.255 nan 8.240 nan 0.000 0.488 176 T N -3.427 111.139 114.554 0.020 0.000 2.975 176 T HA 0.537 4.884 4.350 -0.004 0.000 0.261 176 T C 1.882 176.593 174.700 0.018 0.000 0.984 176 T CA 0.740 62.852 62.100 0.019 0.000 0.911 176 T CB 0.123 69.007 68.868 0.027 0.000 1.127 176 T HN 0.872 nan 8.240 nan 0.000 0.514 177 G N 0.260 109.075 108.800 0.025 0.000 2.217 177 G HA2 -0.191 3.766 3.960 -0.004 0.000 0.246 177 G HA3 -0.191 3.766 3.960 -0.004 0.000 0.246 177 G C 0.234 175.162 174.900 0.047 0.000 0.990 177 G CA 0.624 45.738 45.100 0.024 0.000 0.627 177 G HN 1.013 nan 8.290 nan 0.000 0.522 178 T N -1.460 113.141 114.554 0.077 0.000 2.630 178 T HA 0.696 5.043 4.350 -0.004 0.000 0.300 178 T C -1.688 173.168 174.700 0.260 0.000 1.261 178 T CA 0.605 62.789 62.100 0.140 0.000 1.060 178 T CB 1.187 70.063 68.868 0.014 0.000 1.670 178 T HN 1.674 nan 8.240 nan 0.000 0.473 179 Y N -0.576 119.709 120.300 -0.023 0.000 2.677 179 Y HA 0.779 5.326 4.550 -0.004 0.000 0.334 179 Y C -1.497 174.399 175.900 -0.006 0.000 1.196 179 Y CA -1.221 56.875 58.100 -0.006 0.000 1.059 179 Y CB 0.675 39.143 38.460 0.014 0.000 1.315 179 Y HN 0.415 nan 8.280 nan 0.000 0.455 180 Q N 2.083 121.906 119.800 0.040 0.000 2.266 180 Q HA 0.567 4.904 4.340 -0.004 0.000 0.261 180 Q C -0.986 175.035 176.000 0.035 0.000 0.985 180 Q CA -0.836 54.943 55.803 -0.040 0.000 0.873 180 Q CB 2.763 31.508 28.738 0.013 0.000 1.306 180 Q HN 0.855 nan 8.270 nan 0.000 0.447 181 L N 1.225 122.440 121.223 -0.013 0.000 2.357 181 L HA 0.376 4.714 4.340 -0.004 0.000 0.273 181 L C 1.049 177.938 176.870 0.032 0.000 1.080 181 L CA -0.648 54.214 54.840 0.036 0.000 0.803 181 L CB 1.219 43.267 42.059 -0.017 0.000 1.174 181 L HN 0.699 nan 8.230 nan 0.000 0.443 182 T N -0.863 113.706 114.554 0.024 0.000 2.766 182 T HA 0.152 4.499 4.350 -0.004 0.000 0.295 182 T C 1.346 176.048 174.700 0.003 0.000 1.024 182 T CA -0.103 62.002 62.100 0.008 0.000 1.018 182 T CB 1.307 70.167 68.868 -0.013 0.000 1.002 182 T HN 0.705 nan 8.240 nan 0.000 0.532 183 G N 0.455 109.265 108.800 0.016 0.000 2.514 183 G HA2 -0.274 3.683 3.960 -0.004 0.000 0.217 183 G HA3 -0.274 3.683 3.960 -0.004 0.000 0.217 183 G C 1.182 176.104 174.900 0.036 0.000 1.198 183 G CA 1.171 46.280 45.100 0.016 0.000 0.780 183 G HN 0.895 nan 8.290 nan 0.000 0.565 184 D N -0.029 120.416 120.400 0.075 0.000 2.218 184 D HA -0.038 4.600 4.640 -0.004 0.000 0.204 184 D C 2.385 178.815 176.300 0.218 0.000 0.976 184 D CA 1.002 55.098 54.000 0.159 0.000 0.853 184 D CB -0.075 40.871 40.800 0.244 0.000 0.939 184 D HN 0.513 nan 8.370 nan 0.000 0.481 185 E N -0.706 119.510 120.200 0.026 0.000 2.077 185 E HA -0.155 4.193 4.350 -0.004 0.000 0.193 185 E C 1.907 178.649 176.600 0.237 0.000 0.989 185 E CA 0.472 56.849 56.400 -0.038 0.000 0.800 185 E CB -0.050 29.534 29.700 -0.194 0.000 0.746 185 E HN 0.243 nan 8.360 nan 0.000 0.452 186 L N 1.141 122.413 121.223 0.082 0.000 1.994 186 L HA -0.173 4.165 4.340 -0.004 0.000 0.208 186 L C 2.020 178.905 176.870 0.025 0.000 1.071 186 L CA 1.564 56.397 54.840 -0.012 0.000 0.745 186 L CB -0.390 41.613 42.059 -0.093 0.000 0.892 186 L HN 0.144 nan 8.230 nan 0.000 0.431 187 I N -1.086 119.520 120.570 0.060 0.000 2.118 187 I HA -0.377 3.790 4.170 -0.004 0.000 0.241 187 I C 2.427 178.625 176.117 0.135 0.000 1.070 187 I CA 2.043 63.377 61.300 0.057 0.000 1.327 187 I CB -0.525 37.514 38.000 0.064 0.000 1.034 187 I HN 0.366 nan 8.210 nan 0.000 0.405 188 F N 1.791 121.811 119.950 0.116 0.000 2.095 188 F HA -0.273 4.252 4.527 -0.003 0.000 0.298 188 F C 2.479 178.375 175.800 0.160 0.000 1.104 188 F CA 1.611 59.703 58.000 0.155 0.000 1.232 188 F CB -0.453 38.709 39.000 0.270 0.000 0.987 188 F HN 0.015 nan 8.300 nan 0.000 0.475 189 A N 0.136 123.070 122.820 0.191 0.000 1.908 189 A HA -0.239 4.078 4.320 -0.004 0.000 0.218 189 A C 2.281 179.755 177.584 -0.184 0.000 1.181 189 A CA 2.815 54.857 52.037 0.009 0.000 0.627 189 A CB -1.700 17.313 19.000 0.022 0.000 0.818 189 A HN 0.592 nan 8.150 nan 0.000 0.445 190 T N -1.499 112.976 114.554 -0.132 0.000 2.708 190 T HA -0.157 4.191 4.350 -0.004 0.000 0.266 190 T C 1.822 176.533 174.700 0.018 0.000 1.037 190 T CA 1.550 63.593 62.100 -0.093 0.000 1.146 190 T CB -0.388 68.444 68.868 -0.060 0.000 0.865 190 T HN 0.541 nan 8.240 nan 0.000 0.435 191 K N 0.601 121.025 120.400 0.040 0.000 2.097 191 K HA -0.090 4.227 4.320 -0.004 0.000 0.206 191 K C 2.648 179.292 176.600 0.074 0.000 1.049 191 K CA 1.398 57.801 56.287 0.194 0.000 0.933 191 K CB -0.212 32.413 32.500 0.208 0.000 0.717 191 K HN 0.276 nan 8.250 nan 0.000 0.442 192 Q N 0.765 120.417 119.800 -0.246 0.000 2.083 192 Q HA -0.025 4.312 4.340 -0.004 0.000 0.198 192 Q C 1.910 177.739 176.000 -0.285 0.000 0.969 192 Q CA 1.706 57.253 55.803 -0.427 0.000 0.838 192 Q CB -0.238 28.080 28.738 -0.701 0.000 0.900 192 Q HN 0.315 nan 8.270 nan 0.000 0.436 193 A N -0.561 122.093 122.820 -0.276 0.000 1.972 193 A HA -0.176 4.142 4.320 -0.004 0.000 0.219 193 A C 1.809 179.321 177.584 -0.119 0.000 1.169 193 A CA 1.429 53.224 52.037 -0.404 0.000 0.635 193 A CB -1.099 17.300 19.000 -1.001 0.000 0.810 193 A HN 0.692 nan 8.150 nan 0.000 0.446 194 W N 1.006 122.267 121.300 -0.066 0.000 2.378 194 W HA -0.115 4.542 4.660 -0.004 0.000 0.313 194 W C 2.275 178.700 176.519 -0.157 0.000 1.197 194 W CA 1.511 58.831 57.345 -0.042 0.000 1.304 194 W CB -0.772 28.654 29.460 -0.057 0.000 1.148 194 W HN 0.360 nan 8.180 nan 0.000 0.494 195 R N 0.475 120.886 120.500 -0.149 0.000 2.159 195 R HA -0.176 4.162 4.340 -0.004 0.000 0.237 195 R C 1.376 177.521 176.300 -0.258 0.000 1.131 195 R CA 1.746 57.572 56.100 -0.457 0.000 0.982 195 R CB -0.506 29.218 30.300 -0.959 0.000 0.868 195 R HN 0.107 nan 8.270 nan 0.000 0.453 196 N N 0.108 118.702 118.700 -0.176 0.000 2.336 196 N HA 0.039 4.776 4.740 -0.004 0.000 0.189 196 N C -0.512 174.955 175.510 -0.071 0.000 1.113 196 N CA 0.526 53.523 53.050 -0.088 0.000 0.858 196 N CB 0.798 39.276 38.487 -0.014 0.000 0.970 196 N HN 0.147 nan 8.380 nan 0.000 0.471 197 A N 2.629 125.371 122.820 -0.130 0.000 2.457 197 A HA 0.229 4.546 4.320 -0.004 0.000 0.298 197 A C -1.088 176.447 177.584 -0.082 0.000 1.288 197 A CA -1.081 50.824 52.037 -0.220 0.000 0.956 197 A CB 0.421 19.320 19.000 -0.169 0.000 1.135 197 A HN -0.002 nan 8.150 nan 0.000 0.535 198 P HA -0.126 nan 4.420 nan 0.000 0.228 198 P C 0.790 178.082 177.300 -0.013 0.000 1.151 198 P CA 0.965 64.055 63.100 -0.016 0.000 0.770 198 P CB 0.236 31.922 31.700 -0.023 0.000 0.786 199 R N -1.600 118.860 120.500 -0.067 0.000 2.334 199 R HA 0.147 4.485 4.340 -0.004 0.000 0.212 199 R C 0.691 177.024 176.300 0.055 0.000 0.897 199 R CA -0.154 55.934 56.100 -0.019 0.000 1.056 199 R CB -0.148 30.014 30.300 -0.230 0.000 1.046 199 R HN 0.145 nan 8.270 nan 0.000 0.513 200 C N 1.137 120.454 119.300 0.029 0.000 2.394 200 C HA 0.281 4.739 4.460 -0.004 0.000 0.362 200 C C 1.832 176.854 174.990 0.053 0.000 1.268 200 C CA -0.687 58.372 59.018 0.068 0.000 1.828 200 C CB -0.576 27.254 27.740 0.150 0.000 2.442 200 C HN 0.549 nan 8.230 nan 0.000 0.549 201 I N 4.325 124.889 120.570 -0.011 0.000 3.226 201 I HA 0.196 4.363 4.170 -0.004 0.000 0.277 201 I C 1.843 178.040 176.117 0.133 0.000 1.243 201 I CA 1.058 62.310 61.300 -0.080 0.000 1.459 201 I CB 0.042 37.937 38.000 -0.176 0.000 1.093 201 I HN 0.881 nan 8.210 nan 0.000 0.453 202 G N 0.252 109.102 108.800 0.082 0.000 3.383 202 G HA2 0.029 3.987 3.960 -0.004 0.000 0.251 202 G HA3 0.029 3.987 3.960 -0.004 0.000 0.251 202 G C 1.239 176.129 174.900 -0.017 0.000 1.203 202 G CA -0.374 44.757 45.100 0.052 0.000 0.852 202 G HN 0.252 nan 8.290 nan 0.000 0.531 203 R N -0.226 120.160 120.500 -0.190 0.000 2.355 203 R HA 0.049 4.386 4.340 -0.004 0.000 0.219 203 R C 1.976 177.746 176.300 -0.883 0.000 1.107 203 R CA 0.283 55.940 56.100 -0.739 0.000 1.021 203 R CB -0.161 29.540 30.300 -0.998 0.000 0.852 203 R HN 0.486 nan 8.270 nan 0.000 0.475 204 I N 0.680 120.944 120.570 -0.510 0.000 2.756 204 I HA -0.214 3.953 4.170 -0.004 0.000 0.262 204 I C 1.216 177.221 176.117 -0.187 0.000 1.225 204 I CA 1.154 62.362 61.300 -0.152 0.000 1.472 204 I CB 0.177 38.183 38.000 0.010 0.000 1.094 204 I HN 0.166 nan 8.210 nan 0.000 0.454 205 Q N 0.593 120.197 119.800 -0.327 0.000 2.320 205 Q HA -0.077 4.260 4.340 -0.004 0.000 0.201 205 Q C 1.546 177.058 176.000 -0.814 0.000 0.910 205 Q CA 0.200 55.796 55.803 -0.346 0.000 0.946 205 Q CB -0.153 28.550 28.738 -0.059 0.000 1.062 205 Q HN 0.778 nan 8.270 nan 0.000 0.503 206 W N 1.134 121.665 121.300 -1.283 0.000 2.313 206 W HA -0.229 4.428 4.660 -0.005 0.000 0.293 206 W C 1.212 177.408 176.519 -0.538 0.000 1.216 206 W CA 1.515 57.995 57.345 -1.442 0.000 1.223 206 W CB -1.163 27.650 29.460 -1.079 0.000 1.138 206 W HN 0.144 nan 8.180 nan 0.000 0.535 207 S N 0.784 115.760 115.700 -1.206 0.000 2.436 207 S HA -0.075 4.393 4.470 -0.004 0.000 0.228 207 S C 0.398 174.774 174.600 -0.373 0.000 1.014 207 S CA 0.444 58.075 58.200 -0.949 0.000 0.950 207 S CB -0.799 61.736 63.200 -1.108 0.000 0.784 207 S HN 0.169 nan 8.310 nan 0.000 0.504 208 N N 1.772 120.332 118.700 -0.234 0.000 2.521 208 N HA 0.602 5.339 4.740 -0.004 0.000 0.236 208 N C -1.274 174.320 175.510 0.140 0.000 1.067 208 N CA -0.226 52.808 53.050 -0.026 0.000 0.939 208 N CB 1.066 39.573 38.487 0.033 0.000 1.201 208 N HN 0.304 nan 8.380 nan 0.000 0.511 209 L N 1.614 122.892 121.223 0.090 0.000 2.493 209 L HA 0.396 4.733 4.340 -0.004 0.000 0.265 209 L C -1.260 175.578 176.870 -0.054 0.000 0.954 209 L CA -0.778 54.121 54.840 0.099 0.000 0.844 209 L CB 2.003 44.176 42.059 0.191 0.000 1.302 209 L HN 0.283 nan 8.230 nan 0.000 0.405 210 Q N 3.185 122.900 119.800 -0.143 0.000 2.274 210 Q HA 0.636 4.974 4.340 -0.004 0.000 0.256 210 Q C -1.704 173.923 176.000 -0.622 0.000 0.927 210 Q CA -0.241 55.300 55.803 -0.436 0.000 0.939 210 Q CB 1.479 29.812 28.738 -0.675 0.000 1.201 210 Q HN 0.514 nan 8.270 nan 0.000 0.426 211 V N 5.676 125.226 119.914 -0.607 0.000 2.384 211 V HA 0.449 4.566 4.120 -0.004 0.000 0.287 211 V C -0.813 174.910 176.094 -0.620 0.000 1.020 211 V CA -0.622 61.367 62.300 -0.518 0.000 0.850 211 V CB 0.624 32.285 31.823 -0.270 0.000 0.987 211 V HN 0.656 nan 8.190 nan 0.000 0.436 212 F N 2.552 122.317 119.950 -0.308 0.000 2.361 212 F HA 0.383 4.907 4.527 -0.004 0.000 0.364 212 F C 0.516 176.143 175.800 -0.288 0.000 1.120 212 F CA -0.990 56.835 58.000 -0.293 0.000 1.102 212 F CB 1.008 39.806 39.000 -0.338 0.000 1.183 212 F HN 0.428 nan 8.300 nan 0.000 0.476 213 D N 3.301 123.672 120.400 -0.050 0.000 2.352 213 D HA 0.376 5.014 4.640 -0.004 0.000 0.245 213 D C 0.085 176.290 176.300 -0.158 0.000 1.224 213 D CA 0.201 54.138 54.000 -0.104 0.000 0.879 213 D CB 1.108 41.872 40.800 -0.060 0.000 1.057 213 D HN 0.624 nan 8.370 nan 0.000 0.491 214 A N 4.630 127.291 122.820 -0.264 0.000 2.676 214 A HA 0.171 4.488 4.320 -0.004 0.000 0.297 214 A C 1.541 179.076 177.584 -0.083 0.000 1.132 214 A CA -0.410 51.407 52.037 -0.365 0.000 0.972 214 A CB 0.106 18.667 19.000 -0.732 0.000 1.197 214 A HN 0.525 nan 8.150 nan 0.000 0.524 215 R N 0.255 120.722 120.500 -0.054 0.000 2.235 215 R HA -0.071 4.267 4.340 -0.004 0.000 0.213 215 R C 1.942 178.207 176.300 -0.058 0.000 1.059 215 R CA 1.357 57.441 56.100 -0.028 0.000 0.997 215 R CB -0.008 30.302 30.300 0.015 0.000 0.884 215 R HN 0.631 nan 8.270 nan 0.000 0.462 216 S N -0.191 115.499 115.700 -0.016 0.000 2.461 216 S HA -0.060 4.407 4.470 -0.004 0.000 0.228 216 S C 1.272 175.897 174.600 0.042 0.000 1.005 216 S CA -0.227 57.984 58.200 0.017 0.000 0.942 216 S CB -0.374 62.859 63.200 0.055 0.000 0.776 216 S HN 0.323 nan 8.310 nan 0.000 0.514 217 C N 3.178 122.518 119.300 0.068 0.000 2.641 217 C HA 0.401 4.859 4.460 -0.004 0.000 0.412 217 C C 1.879 176.912 174.990 0.072 0.000 1.312 217 C CA 0.630 59.737 59.018 0.148 0.000 1.838 217 C CB 0.253 28.144 27.740 0.252 0.000 2.682 217 C HN 0.738 nan 8.230 nan 0.000 0.627 218 S N 1.348 117.185 115.700 0.229 0.000 2.617 218 S HA 0.185 4.652 4.470 -0.004 0.000 0.278 218 S C 0.225 175.036 174.600 0.352 0.000 1.082 218 S CA 0.200 58.607 58.200 0.345 0.000 1.228 218 S CB 0.012 63.334 63.200 0.204 0.000 1.130 218 S HN 0.876 nan 8.310 nan 0.000 0.621 219 T N 0.651 115.344 114.554 0.232 0.000 2.908 219 T HA 0.733 5.080 4.350 -0.004 0.000 0.290 219 T C 1.248 175.983 174.700 0.058 0.000 1.034 219 T CA 0.096 62.266 62.100 0.117 0.000 1.010 219 T CB 1.460 70.386 68.868 0.097 0.000 1.068 219 T HN 0.294 nan 8.240 nan 0.000 0.481 220 A N 3.236 126.055 122.820 -0.002 0.000 1.892 220 A HA -0.099 4.219 4.320 -0.004 0.000 0.218 220 A C 2.196 179.684 177.584 -0.160 0.000 1.188 220 A CA 2.403 54.408 52.037 -0.054 0.000 0.631 220 A CB -0.750 18.304 19.000 0.090 0.000 0.822 220 A HN 0.915 nan 8.150 nan 0.000 0.447 221 R N -0.057 120.458 120.500 0.025 0.000 2.091 221 R HA -0.188 4.149 4.340 -0.004 0.000 0.238 221 R C 2.006 178.291 176.300 -0.025 0.000 1.136 221 R CA 1.999 58.097 56.100 -0.003 0.000 0.959 221 R CB -0.397 30.029 30.300 0.210 0.000 0.856 221 R HN 0.673 nan 8.270 nan 0.000 0.437 222 E N 0.029 120.249 120.200 0.034 0.000 2.118 222 E HA -0.230 4.118 4.350 -0.004 0.000 0.195 222 E C 2.104 178.777 176.600 0.120 0.000 0.992 222 E CA 1.835 58.273 56.400 0.062 0.000 0.804 222 E CB -0.110 29.672 29.700 0.136 0.000 0.741 222 E HN 0.446 nan 8.360 nan 0.000 0.458 223 M N -0.069 119.574 119.600 0.072 0.000 2.080 223 M HA -0.186 4.292 4.480 -0.004 0.000 0.260 223 M C 2.244 178.620 176.300 0.127 0.000 1.068 223 M CA 1.398 56.749 55.300 0.085 0.000 1.109 223 M CB -0.429 32.004 32.600 -0.279 0.000 1.342 223 M HN 0.128 nan 8.290 nan 0.000 0.405 224 F N 1.647 121.412 119.950 -0.308 0.000 2.091 224 F HA -0.248 4.277 4.527 -0.004 0.000 0.299 224 F C 2.068 177.782 175.800 -0.144 0.000 1.103 224 F CA 2.054 59.837 58.000 -0.361 0.000 1.228 224 F CB -0.436 38.059 39.000 -0.842 0.000 0.984 224 F HN 0.174 nan 8.300 nan 0.000 0.477 225 E N -1.249 118.806 120.200 -0.242 0.000 2.110 225 E HA -0.232 4.115 4.350 -0.004 0.000 0.193 225 E C 2.178 178.609 176.600 -0.281 0.000 0.988 225 E CA 1.272 57.473 56.400 -0.333 0.000 0.804 225 E CB -0.421 29.152 29.700 -0.213 0.000 0.745 225 E HN 0.516 nan 8.360 nan 0.000 0.458 226 H N 0.392 119.404 119.070 -0.097 0.000 2.387 226 H HA -0.050 4.503 4.556 -0.004 0.000 0.299 226 H C 2.217 177.449 175.328 -0.160 0.000 1.090 226 H CA 1.067 57.055 56.048 -0.100 0.000 1.332 226 H CB -0.025 29.784 29.762 0.077 0.000 1.386 226 H HN 0.189 nan 8.280 nan 0.000 0.516 227 I N -0.234 120.363 120.570 0.045 0.000 2.252 227 I HA -0.274 3.894 4.170 -0.004 0.000 0.245 227 I C 2.610 178.644 176.117 -0.138 0.000 1.102 227 I CA 0.755 62.048 61.300 -0.013 0.000 1.385 227 I CB -0.280 37.734 38.000 0.024 0.000 1.064 227 I HN 0.202 nan 8.210 nan 0.000 0.414 228 C N 0.281 119.406 119.300 -0.292 0.000 2.425 228 C HA -0.150 4.308 4.460 -0.004 0.000 0.277 228 C C 2.949 177.828 174.990 -0.184 0.000 1.280 228 C CA 0.801 59.642 59.018 -0.296 0.000 1.744 228 C CB -1.255 26.201 27.740 -0.473 0.000 1.989 228 C HN 0.452 nan 8.230 nan 0.000 0.491 229 R N -0.160 120.212 120.500 -0.213 0.000 2.075 229 R HA -0.147 4.191 4.340 -0.004 0.000 0.232 229 R C 2.208 178.383 176.300 -0.207 0.000 1.126 229 R CA 1.648 57.613 56.100 -0.225 0.000 0.963 229 R CB -0.563 29.537 30.300 -0.333 0.000 0.858 229 R HN 0.769 nan 8.270 nan 0.000 0.435 230 H N -0.646 118.189 119.070 -0.392 0.000 2.290 230 H HA -0.122 4.432 4.556 -0.004 0.000 0.298 230 H C 1.886 177.247 175.328 0.054 0.000 1.087 230 H CA 1.833 57.750 56.048 -0.218 0.000 1.291 230 H CB 0.153 29.826 29.762 -0.148 0.000 1.369 230 H HN 0.057 nan 8.280 nan 0.000 0.492 231 V N 0.896 120.871 119.914 0.100 0.000 2.287 231 V HA -0.274 3.844 4.120 -0.004 0.000 0.248 231 V C 2.608 178.753 176.094 0.085 0.000 1.053 231 V CA 2.194 64.515 62.300 0.036 0.000 1.027 231 V CB -0.656 31.132 31.823 -0.058 0.000 0.646 231 V HN 0.405 nan 8.190 nan 0.000 0.447 232 R N -1.226 119.310 120.500 0.059 0.000 2.083 232 R HA -0.242 4.095 4.340 -0.004 0.000 0.237 232 R C 2.372 178.742 176.300 0.118 0.000 1.137 232 R CA 2.376 58.511 56.100 0.059 0.000 0.951 232 R CB -0.476 29.842 30.300 0.029 0.000 0.851 232 R HN 0.663 nan 8.270 nan 0.000 0.434 233 Y N 0.607 120.959 120.300 0.087 0.000 2.089 233 Y HA -0.205 4.343 4.550 -0.004 0.000 0.282 233 Y C 2.399 178.397 175.900 0.163 0.000 1.139 233 Y CA 2.166 60.359 58.100 0.154 0.000 1.123 233 Y CB -0.460 38.176 38.460 0.293 0.000 0.980 233 Y HN -0.001 nan 8.280 nan 0.000 0.493 234 S N -0.330 115.535 115.700 0.275 0.000 2.370 234 S HA -0.218 4.250 4.470 -0.004 0.000 0.226 234 S C 1.900 176.523 174.600 0.039 0.000 1.033 234 S CA 1.760 60.053 58.200 0.156 0.000 1.011 234 S CB -0.743 62.659 63.200 0.336 0.000 0.852 234 S HN 0.611 nan 8.310 nan 0.000 0.457 235 T N 1.647 116.231 114.554 0.050 0.000 2.684 235 T HA -0.135 4.213 4.350 -0.004 0.000 0.267 235 T C 1.072 175.765 174.700 -0.011 0.000 1.036 235 T CA 1.345 63.465 62.100 0.033 0.000 1.148 235 T CB -0.644 68.241 68.868 0.029 0.000 0.863 235 T HN 0.489 nan 8.240 nan 0.000 0.436 236 N N 1.676 120.342 118.700 -0.055 0.000 2.716 236 N HA -0.275 4.463 4.740 -0.004 0.000 0.250 236 N C 0.120 175.600 175.510 -0.050 0.000 1.033 236 N CA 0.972 53.968 53.050 -0.088 0.000 0.727 236 N CB -2.148 36.244 38.487 -0.158 0.000 0.950 236 N HN 0.652 nan 8.380 nan 0.000 0.541 237 N N -1.778 116.905 118.700 -0.029 0.000 2.735 237 N HA -0.253 4.485 4.740 -0.004 0.000 0.248 237 N C 0.917 176.409 175.510 -0.030 0.000 1.083 237 N CA 1.485 54.520 53.050 -0.026 0.000 0.703 237 N CB -1.262 37.209 38.487 -0.026 0.000 1.005 237 N HN 1.132 nan 8.380 nan 0.000 0.550 238 G N -0.483 108.304 108.800 -0.022 0.000 2.339 238 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.209 238 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.209 238 G C -0.082 174.807 174.900 -0.018 0.000 1.015 238 G CA 0.142 45.229 45.100 -0.022 0.000 0.635 238 G HN 0.438 nan 8.290 nan 0.000 0.499 239 N N 2.584 121.260 118.700 -0.039 0.000 2.807 239 N HA 0.392 5.130 4.740 -0.004 0.000 0.259 239 N C 0.630 176.119 175.510 -0.035 0.000 1.149 239 N CA -0.223 52.790 53.050 -0.061 0.000 1.042 239 N CB 0.145 38.587 38.487 -0.074 0.000 1.367 239 N HN 0.360 nan 8.380 nan 0.000 0.516 240 I N 1.258 121.841 120.570 0.022 0.000 2.845 240 I HA -0.117 4.050 4.170 -0.004 0.000 0.296 240 I C 1.024 177.261 176.117 0.200 0.000 1.216 240 I CA 0.724 62.104 61.300 0.133 0.000 1.438 240 I CB -0.211 37.956 38.000 0.278 0.000 1.342 240 I HN 0.206 nan 8.210 nan 0.000 0.577 241 R N 3.724 124.323 120.500 0.164 0.000 2.686 241 R HA 0.453 4.790 4.340 -0.004 0.000 0.286 241 R C -0.490 175.967 176.300 0.261 0.000 0.969 241 R CA -0.721 55.494 56.100 0.191 0.000 0.898 241 R CB 2.006 32.255 30.300 -0.085 0.000 1.183 241 R HN 0.554 nan 8.270 nan 0.000 0.456 242 S N 1.123 116.976 115.700 0.256 0.000 2.545 242 S HA 0.642 5.109 4.470 -0.004 0.000 0.275 242 S C -0.451 174.247 174.600 0.163 0.000 1.299 242 S CA -0.429 57.844 58.200 0.122 0.000 1.048 242 S CB 1.503 64.701 63.200 -0.003 0.000 0.938 242 S HN 0.705 nan 8.310 nan 0.000 0.496 243 A N 2.398 125.289 122.820 0.117 0.000 2.601 243 A HA 0.822 5.139 4.320 -0.004 0.000 0.291 243 A C -1.479 176.073 177.584 -0.054 0.000 1.075 243 A CA -0.657 51.362 52.037 -0.031 0.000 0.671 243 A CB 1.100 20.095 19.000 -0.008 0.000 1.277 243 A HN 0.810 nan 8.150 nan 0.000 0.417 244 I N 0.251 120.665 120.570 -0.260 0.000 2.752 244 I HA 0.612 4.779 4.170 -0.004 0.000 0.295 244 I C -1.227 174.792 176.117 -0.162 0.000 1.219 244 I CA -0.136 61.119 61.300 -0.075 0.000 1.030 244 I CB 2.408 40.386 38.000 -0.037 0.000 1.259 244 I HN 0.594 nan 8.210 nan 0.000 0.423 245 T N 6.346 120.867 114.554 -0.055 0.000 2.772 245 T HA 0.420 4.768 4.350 -0.004 0.000 0.288 245 T C -0.604 173.858 174.700 -0.396 0.000 0.994 245 T CA -0.315 61.661 62.100 -0.205 0.000 0.951 245 T CB 1.284 70.017 68.868 -0.225 0.000 0.933 245 T HN 0.265 nan 8.240 nan 0.000 0.447 246 V N 5.315 125.004 119.914 -0.374 0.000 2.383 246 V HA 0.467 4.585 4.120 -0.004 0.000 0.275 246 V C -0.342 175.577 176.094 -0.292 0.000 1.036 246 V CA -0.678 61.437 62.300 -0.308 0.000 0.889 246 V CB 0.145 31.786 31.823 -0.304 0.000 0.985 246 V HN 0.670 nan 8.190 nan 0.000 0.459 247 F N 5.039 125.030 119.950 0.068 0.000 2.411 247 F HA 0.541 5.065 4.527 -0.004 0.000 0.324 247 F C -1.889 173.949 175.800 0.062 0.000 1.086 247 F CA -2.764 55.255 58.000 0.031 0.000 1.028 247 F CB 0.463 39.535 39.000 0.121 0.000 1.284 247 F HN 0.296 nan 8.300 nan 0.000 0.501 248 P HA -0.058 nan 4.420 nan 0.000 0.261 248 P C -0.974 176.289 177.300 -0.063 0.000 1.165 248 P CA 0.191 63.197 63.100 -0.157 0.000 0.759 248 P CB 0.086 31.373 31.700 -0.688 0.000 0.772 249 Q N 3.045 122.698 119.800 -0.245 0.000 2.474 249 Q HA 0.098 4.435 4.340 -0.004 0.000 0.256 249 Q C 0.246 176.044 176.000 -0.336 0.000 1.048 249 Q CA -0.536 54.839 55.803 -0.712 0.000 0.922 249 Q CB 0.660 28.708 28.738 -1.150 0.000 1.288 249 Q HN 0.343 nan 8.270 nan 0.000 0.484 250 R N 1.043 121.354 120.500 -0.315 0.000 2.537 250 R HA 0.025 4.363 4.340 -0.004 0.000 0.280 250 R C 0.039 176.254 176.300 -0.142 0.000 1.058 250 R CA 0.671 56.695 56.100 -0.126 0.000 1.057 250 R CB 0.578 30.821 30.300 -0.095 0.000 0.973 250 R HN 0.963 nan 8.270 nan 0.000 0.438 251 S N 2.572 118.231 115.700 -0.069 0.000 2.696 251 S HA -0.043 4.424 4.470 -0.004 0.000 0.172 251 S C 0.934 175.492 174.600 -0.071 0.000 0.767 251 S CA 0.245 58.390 58.200 -0.091 0.000 0.856 251 S CB -0.213 62.922 63.200 -0.107 0.000 0.782 251 S HN 0.816 nan 8.310 nan 0.000 0.582 252 D N 0.476 120.839 120.400 -0.062 0.000 2.354 252 D HA 0.253 4.891 4.640 -0.004 0.000 0.209 252 D C 1.412 177.717 176.300 0.009 0.000 1.015 252 D CA 0.879 54.858 54.000 -0.034 0.000 0.867 252 D CB -0.353 40.417 40.800 -0.050 0.000 0.933 252 D HN 0.919 nan 8.370 nan 0.000 0.520 253 G N 0.690 109.511 108.800 0.035 0.000 2.175 253 G HA2 -0.305 3.652 3.960 -0.004 0.000 0.244 253 G HA3 -0.305 3.652 3.960 -0.004 0.000 0.244 253 G C 0.976 175.918 174.900 0.071 0.000 0.982 253 G CA 0.383 45.505 45.100 0.037 0.000 0.641 253 G HN 0.449 nan 8.290 nan 0.000 0.527 254 K N -0.825 119.670 120.400 0.157 0.000 2.391 254 K HA 0.198 4.516 4.320 -0.004 0.000 0.197 254 K C 0.408 177.098 176.600 0.151 0.000 1.087 254 K CA 0.194 56.575 56.287 0.156 0.000 1.012 254 K CB 0.416 33.034 32.500 0.197 0.000 0.925 254 K HN 0.418 nan 8.250 nan 0.000 0.547 255 H N 1.181 120.274 119.070 0.039 0.000 2.499 255 H HA 0.220 4.774 4.556 -0.004 0.000 0.262 255 H C -1.069 174.341 175.328 0.138 0.000 1.363 255 H CA -0.872 55.220 56.048 0.073 0.000 1.072 255 H CB -0.279 29.545 29.762 0.104 0.000 1.602 255 H HN -0.029 nan 8.280 nan 0.000 0.526 256 D N 0.400 120.902 120.400 0.170 0.000 2.350 256 D HA 0.069 4.707 4.640 -0.004 0.000 0.249 256 D C -0.198 176.200 176.300 0.163 0.000 1.119 256 D CA 0.076 54.187 54.000 0.184 0.000 0.886 256 D CB 0.645 41.515 40.800 0.116 0.000 1.195 256 D HN 0.162 nan 8.370 nan 0.000 0.437 257 F N 2.863 122.854 119.950 0.070 0.000 2.361 257 F HA 0.344 4.869 4.527 -0.004 0.000 0.364 257 F C 0.790 176.638 175.800 0.080 0.000 1.117 257 F CA -0.616 57.399 58.000 0.025 0.000 1.071 257 F CB 0.702 39.701 39.000 -0.002 0.000 1.188 257 F HN 0.183 nan 8.300 nan 0.000 0.464 258 R N 1.614 122.224 120.500 0.183 0.000 2.680 258 R HA 0.758 5.095 4.340 -0.004 0.000 0.269 258 R C -2.274 174.208 176.300 0.302 0.000 1.026 258 R CA -1.055 55.197 56.100 0.254 0.000 0.889 258 R CB 1.315 31.751 30.300 0.226 0.000 1.241 258 R HN 0.179 nan 8.270 nan 0.000 0.463 259 V N 2.109 122.209 119.914 0.311 0.000 2.465 259 V HA 0.136 4.254 4.120 -0.004 0.000 0.279 259 V C 0.037 176.402 176.094 0.451 0.000 1.045 259 V CA -0.421 62.074 62.300 0.325 0.000 0.938 259 V CB 0.924 32.882 31.823 0.226 0.000 0.986 259 V HN 0.759 nan 8.190 nan 0.000 0.467 260 W N 1.820 123.224 121.300 0.173 0.000 2.576 260 W HA 0.090 4.748 4.660 -0.004 0.000 0.270 260 W C 0.950 177.638 176.519 0.282 0.000 1.255 260 W CA -0.653 56.881 57.345 0.315 0.000 1.314 260 W CB -0.815 28.944 29.460 0.497 0.000 1.101 260 W HN 0.508 nan 8.180 nan 0.000 0.595 261 N N 0.346 119.220 118.700 0.290 0.000 2.458 261 N HA 0.212 4.950 4.740 -0.004 0.000 0.258 261 N C 1.175 176.583 175.510 -0.170 0.000 1.219 261 N CA 0.746 53.652 53.050 -0.240 0.000 0.902 261 N CB 0.835 39.214 38.487 -0.181 0.000 1.076 261 N HN -0.039 nan 8.380 nan 0.000 0.455 262 A N 2.446 125.100 122.820 -0.277 0.000 1.898 262 A HA -0.111 4.206 4.320 -0.004 0.000 0.216 262 A C 0.438 177.929 177.584 -0.155 0.000 1.181 262 A CA 1.367 53.326 52.037 -0.129 0.000 0.620 262 A CB -0.058 18.895 19.000 -0.080 0.000 0.819 262 A HN 0.745 nan 8.150 nan 0.000 0.442 263 Q N -1.685 117.992 119.800 -0.204 0.000 2.423 263 Q HA 0.559 4.896 4.340 -0.004 0.000 0.278 263 Q C 0.294 176.149 176.000 -0.243 0.000 1.097 263 Q CA -0.637 55.039 55.803 -0.212 0.000 0.809 263 Q CB 1.914 30.555 28.738 -0.161 0.000 1.391 263 Q HN 0.265 nan 8.270 nan 0.000 0.428 264 L N 0.561 121.638 121.223 -0.244 0.000 1.994 264 L HA -0.037 4.300 4.340 -0.004 0.000 0.208 264 L C 0.642 177.346 176.870 -0.277 0.000 1.071 264 L CA 1.389 56.099 54.840 -0.217 0.000 0.745 264 L CB -0.059 41.862 42.059 -0.230 0.000 0.892 264 L HN 0.518 nan 8.230 nan 0.000 0.431 265 I N -0.288 120.033 120.570 -0.415 0.000 2.354 265 I HA 0.352 4.520 4.170 -0.004 0.000 0.292 265 I C -0.083 175.411 176.117 -1.038 0.000 0.989 265 I CA -0.317 60.584 61.300 -0.664 0.000 1.188 265 I CB 1.621 39.172 38.000 -0.748 0.000 1.342 265 I HN 0.123 nan 8.210 nan 0.000 0.457 266 R N 4.542 124.549 120.500 -0.821 0.000 2.594 266 R HA 0.403 4.740 4.340 -0.004 0.000 0.265 266 R C -1.730 174.346 176.300 -0.373 0.000 1.070 266 R CA -0.701 55.005 56.100 -0.657 0.000 0.909 266 R CB 1.777 31.900 30.300 -0.295 0.000 1.243 266 R HN 0.312 nan 8.270 nan 0.000 0.455 267 Y N 0.938 121.220 120.300 -0.029 0.000 2.326 267 Y HA 0.451 4.999 4.550 -0.004 0.000 0.333 267 Y C 0.907 176.828 175.900 0.035 0.000 1.240 267 Y CA -0.186 57.958 58.100 0.073 0.000 1.365 267 Y CB 0.972 39.590 38.460 0.264 0.000 1.289 267 Y HN 0.677 nan 8.280 nan 0.000 0.548 268 A N 0.881 123.805 122.820 0.172 0.000 2.304 268 A HA 0.673 4.991 4.320 -0.004 0.000 0.271 268 A C 0.368 177.797 177.584 -0.258 0.000 1.091 268 A CA 0.157 52.107 52.037 -0.145 0.000 0.812 268 A CB -0.076 18.732 19.000 -0.321 0.000 1.056 268 A HN 0.908 nan 8.150 nan 0.000 0.489 269 G N 0.142 108.705 108.800 -0.395 0.000 2.702 269 G HA2 0.571 4.529 3.960 -0.004 0.000 0.295 269 G HA3 0.571 4.529 3.960 -0.004 0.000 0.295 269 G C -1.317 173.414 174.900 -0.283 0.000 1.446 269 G CA -0.244 44.704 45.100 -0.253 0.000 0.983 269 G HN 0.513 nan 8.290 nan 0.000 0.520 270 Y N 0.400 120.760 120.300 0.100 0.000 2.429 270 Y HA 0.502 5.050 4.550 -0.004 0.000 0.342 270 Y C 0.463 176.431 175.900 0.113 0.000 1.004 270 Y CA -0.968 57.213 58.100 0.134 0.000 1.075 270 Y CB 2.344 40.944 38.460 0.233 0.000 1.214 270 Y HN 0.444 nan 8.280 nan 0.000 0.455 271 Q N 3.939 123.896 119.800 0.261 0.000 2.390 271 Q HA 0.327 4.665 4.340 -0.004 0.000 0.249 271 Q C -0.825 175.261 176.000 0.144 0.000 0.996 271 Q CA -0.839 55.059 55.803 0.157 0.000 0.899 271 Q CB 0.573 29.376 28.738 0.109 0.000 1.216 271 Q HN 0.591 nan 8.270 nan 0.000 0.465 272 M N 4.507 124.169 119.600 0.104 0.000 2.232 272 M HA 0.132 4.609 4.480 -0.004 0.000 0.321 272 M C -1.621 174.682 176.300 0.004 0.000 1.101 272 M CA -2.288 53.032 55.300 0.034 0.000 1.181 272 M CB -0.562 32.045 32.600 0.012 0.000 1.432 272 M HN 0.403 nan 8.290 nan 0.000 0.457 273 P HA -0.182 nan 4.420 nan 0.000 0.216 273 P C 0.568 177.856 177.300 -0.020 0.000 1.153 273 P CA 1.431 64.510 63.100 -0.035 0.000 0.858 273 P CB -0.047 31.613 31.700 -0.067 0.000 0.789 274 D N -1.801 118.586 120.400 -0.021 0.000 2.352 274 D HA 0.009 4.647 4.640 -0.004 0.000 0.232 274 D C 1.454 177.754 176.300 -0.000 0.000 1.055 274 D CA 0.889 54.882 54.000 -0.012 0.000 0.891 274 D CB -0.846 39.945 40.800 -0.016 0.000 0.897 274 D HN 0.284 nan 8.370 nan 0.000 0.529 275 G N 0.369 109.173 108.800 0.007 0.000 2.268 275 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.240 275 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.240 275 G C 0.546 175.461 174.900 0.024 0.000 1.010 275 G CA 0.553 45.663 45.100 0.018 0.000 0.618 275 G HN 0.854 nan 8.290 nan 0.000 0.516 276 S N 0.094 115.806 115.700 0.020 0.000 2.606 276 S HA 0.641 5.109 4.470 -0.004 0.000 0.257 276 S C 0.255 174.879 174.600 0.040 0.000 1.327 276 S CA 0.089 58.303 58.200 0.024 0.000 0.984 276 S CB 1.205 64.415 63.200 0.016 0.000 0.941 276 S HN 0.780 nan 8.310 nan 0.000 0.576 277 I N 0.700 121.293 120.570 0.038 0.000 2.498 277 I HA 0.446 4.613 4.170 -0.004 0.000 0.290 277 I C 0.193 176.339 176.117 0.048 0.000 1.032 277 I CA -0.539 60.793 61.300 0.053 0.000 1.073 277 I CB 1.925 39.943 38.000 0.031 0.000 1.251 277 I HN 0.648 nan 8.210 nan 0.000 0.426 278 R N 4.440 125.008 120.500 0.113 0.000 2.338 278 R HA 0.694 5.032 4.340 -0.004 0.000 0.317 278 R C 0.177 176.549 176.300 0.120 0.000 0.968 278 R CA 0.353 56.528 56.100 0.125 0.000 0.849 278 R CB 1.457 31.881 30.300 0.207 0.000 1.128 278 R HN 0.937 nan 8.270 nan 0.000 0.448 279 G N 2.892 111.684 108.800 -0.013 0.000 2.466 279 G HA2 -0.250 3.707 3.960 -0.004 0.000 0.218 279 G HA3 -0.250 3.707 3.960 -0.004 0.000 0.218 279 G C -1.221 173.435 174.900 -0.407 0.000 1.237 279 G CA -0.179 44.885 45.100 -0.061 0.000 0.954 279 G HN 0.615 nan 8.290 nan 0.000 0.580 280 D N 1.702 122.004 120.400 -0.165 0.000 2.393 280 D HA 0.524 5.161 4.640 -0.004 0.000 0.232 280 D C -0.850 175.406 176.300 -0.073 0.000 1.192 280 D CA -1.906 52.001 54.000 -0.155 0.000 0.882 280 D CB 1.226 42.230 40.800 0.339 0.000 1.038 280 D HN -0.006 nan 8.370 nan 0.000 0.499 281 P HA -0.142 nan 4.420 nan 0.000 0.217 281 P C 0.933 178.252 177.300 0.032 0.000 1.148 281 P CA 1.191 64.273 63.100 -0.030 0.000 0.828 281 P CB 0.260 31.940 31.700 -0.034 0.000 0.783 282 A N -1.063 121.796 122.820 0.065 0.000 2.121 282 A HA -0.155 4.162 4.320 -0.004 0.000 0.218 282 A C 1.992 179.645 177.584 0.115 0.000 1.154 282 A CA 1.222 53.321 52.037 0.102 0.000 0.679 282 A CB -1.257 17.823 19.000 0.132 0.000 0.795 282 A HN 0.222 nan 8.150 nan 0.000 0.458 283 N N -0.161 118.601 118.700 0.103 0.000 2.251 283 N HA 0.122 4.859 4.740 -0.004 0.000 0.217 283 N C 0.945 176.501 175.510 0.077 0.000 1.124 283 N CA 0.099 53.214 53.050 0.109 0.000 0.843 283 N CB 0.304 38.855 38.487 0.106 0.000 1.024 283 N HN 0.194 nan 8.380 nan 0.000 0.501 284 V N 0.938 120.883 119.914 0.051 0.000 2.261 284 V HA -0.227 3.891 4.120 -0.004 0.000 0.246 284 V C 2.320 178.426 176.094 0.020 0.000 1.047 284 V CA 1.755 64.070 62.300 0.025 0.000 1.015 284 V CB -0.486 31.361 31.823 0.040 0.000 0.642 284 V HN 0.426 nan 8.190 nan 0.000 0.446 285 E N -0.459 119.768 120.200 0.045 0.000 2.058 285 E HA -0.288 4.059 4.350 -0.004 0.000 0.194 285 E C 2.113 178.634 176.600 -0.131 0.000 0.997 285 E CA 1.858 58.257 56.400 -0.002 0.000 0.801 285 E CB -0.230 29.519 29.700 0.080 0.000 0.746 285 E HN 0.547 nan 8.360 nan 0.000 0.450 286 F N 1.456 121.267 119.950 -0.232 0.000 2.134 286 F HA -0.202 4.322 4.527 -0.004 0.000 0.299 286 F C 2.589 178.231 175.800 -0.264 0.000 1.097 286 F CA 2.219 60.001 58.000 -0.364 0.000 1.264 286 F CB -0.681 38.188 39.000 -0.219 0.000 1.001 286 F HN 0.127 nan 8.300 nan 0.000 0.479 287 T N -2.214 112.263 114.554 -0.128 0.000 2.746 287 T HA -0.230 4.117 4.350 -0.004 0.000 0.267 287 T C 1.950 176.549 174.700 -0.170 0.000 1.039 287 T CA 1.222 63.206 62.100 -0.193 0.000 1.142 287 T CB -0.613 68.169 68.868 -0.144 0.000 0.866 287 T HN 0.234 nan 8.240 nan 0.000 0.444 288 Q N 0.686 120.409 119.800 -0.128 0.000 2.112 288 Q HA -0.052 4.285 4.340 -0.004 0.000 0.206 288 Q C 2.308 178.210 176.000 -0.164 0.000 0.987 288 Q CA 1.309 57.062 55.803 -0.083 0.000 0.858 288 Q CB -0.805 27.897 28.738 -0.061 0.000 0.905 288 Q HN 0.568 nan 8.270 nan 0.000 0.420 289 L N 0.024 121.052 121.223 -0.325 0.000 1.994 289 L HA -0.193 4.145 4.340 -0.004 0.000 0.208 289 L C 2.437 179.110 176.870 -0.327 0.000 1.071 289 L CA 1.839 56.456 54.840 -0.372 0.000 0.745 289 L CB -0.952 40.734 42.059 -0.622 0.000 0.892 289 L HN 0.220 nan 8.230 nan 0.000 0.431 290 C N -0.352 118.683 119.300 -0.442 0.000 2.413 290 C HA -0.183 4.274 4.460 -0.004 0.000 0.277 290 C C 2.728 177.713 174.990 -0.008 0.000 1.265 290 C CA 0.992 59.831 59.018 -0.298 0.000 1.752 290 C CB -1.089 26.385 27.740 -0.443 0.000 1.998 290 C HN 0.593 nan 8.230 nan 0.000 0.489 291 I N 1.088 121.687 120.570 0.048 0.000 2.179 291 I HA -0.188 3.979 4.170 -0.004 0.000 0.242 291 I C 2.140 178.254 176.117 -0.004 0.000 1.088 291 I CA 1.604 62.961 61.300 0.094 0.000 1.357 291 I CB -0.622 37.430 38.000 0.087 0.000 1.051 291 I HN 0.312 nan 8.210 nan 0.000 0.409 292 D N 0.919 121.282 120.400 -0.062 0.000 2.182 292 D HA -0.142 4.495 4.640 -0.004 0.000 0.201 292 D C 2.056 178.284 176.300 -0.120 0.000 0.986 292 D CA 1.257 55.197 54.000 -0.099 0.000 0.847 292 D CB -0.213 40.508 40.800 -0.132 0.000 0.942 292 D HN 0.349 nan 8.370 nan 0.000 0.467 293 L N -0.785 120.368 121.223 -0.116 0.000 2.599 293 L HA 0.178 4.516 4.340 -0.004 0.000 0.230 293 L C 1.647 178.472 176.870 -0.076 0.000 1.141 293 L CA 0.454 55.222 54.840 -0.119 0.000 0.877 293 L CB 0.033 42.010 42.059 -0.137 0.000 1.009 293 L HN 0.170 nan 8.230 nan 0.000 0.447 294 G N -1.397 107.380 108.800 -0.039 0.000 2.253 294 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.209 294 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.209 294 G C -0.081 174.833 174.900 0.023 0.000 0.997 294 G CA -0.406 44.677 45.100 -0.028 0.000 0.640 294 G HN 0.258 nan 8.290 nan 0.000 0.496 295 W N 4.210 125.435 121.300 -0.125 0.000 2.264 295 W HA 0.536 5.193 4.660 -0.004 0.000 0.331 295 W C 0.908 177.374 176.519 -0.088 0.000 1.364 295 W CA 0.298 57.580 57.345 -0.106 0.000 1.253 295 W CB 0.528 29.922 29.460 -0.109 0.000 1.215 295 W HN 0.374 nan 8.180 nan 0.000 0.561 296 K N 8.518 128.516 120.400 -0.670 0.000 2.248 296 K HA 0.433 4.750 4.320 -0.004 0.000 0.281 296 K C -2.362 173.555 176.600 -1.137 0.000 1.054 296 K CA -1.622 54.274 56.287 -0.651 0.000 0.903 296 K CB 0.988 33.236 32.500 -0.421 0.000 1.077 296 K HN 0.194 nan 8.250 nan 0.000 0.474 297 P HA -0.032 nan 4.420 nan 0.000 0.268 297 P C -0.665 176.121 177.300 -0.857 0.000 1.204 297 P CA -0.235 62.328 63.100 -0.895 0.000 0.768 297 P CB 0.781 31.896 31.700 -0.975 0.000 0.842 298 K N 1.791 121.830 120.400 -0.601 0.000 2.374 298 K HA 0.044 4.362 4.320 -0.004 0.000 0.196 298 K C 0.156 176.605 176.600 -0.251 0.000 1.023 298 K CA -0.419 55.689 56.287 -0.298 0.000 1.103 298 K CB -0.476 31.984 32.500 -0.067 0.000 0.848 298 K HN 0.385 nan 8.250 nan 0.000 0.528 299 Y N 0.592 120.508 120.300 -0.639 0.000 3.001 299 Y HA -0.224 4.324 4.550 -0.004 0.000 0.207 299 Y C 0.830 176.596 175.900 -0.223 0.000 1.231 299 Y CA 0.797 58.415 58.100 -0.804 0.000 1.024 299 Y CB -1.989 36.150 38.460 -0.536 0.000 1.267 299 Y HN 0.162 nan 8.280 nan 0.000 0.501 300 G N -0.523 108.377 108.800 0.166 0.000 2.533 300 G HA2 0.581 4.539 3.960 -0.004 0.000 0.304 300 G HA3 0.581 4.539 3.960 -0.004 0.000 0.304 300 G C 0.421 175.446 174.900 0.208 0.000 1.263 300 G CA -1.083 44.123 45.100 0.177 0.000 0.964 300 G HN 0.223 nan 8.290 nan 0.000 0.479 301 R N -0.499 119.995 120.500 -0.010 0.000 2.120 301 R HA -0.011 4.326 4.340 -0.004 0.000 0.234 301 R C -0.077 175.902 176.300 -0.536 0.000 1.123 301 R CA 1.139 57.068 56.100 -0.285 0.000 0.975 301 R CB -0.081 29.877 30.300 -0.569 0.000 0.866 301 R HN 0.382 nan 8.270 nan 0.000 0.446 302 F N 1.037 120.959 119.950 -0.046 0.000 2.523 302 F HA 0.264 4.789 4.527 -0.004 0.000 0.322 302 F C -0.888 174.821 175.800 -0.152 0.000 1.361 302 F CA -1.337 56.370 58.000 -0.488 0.000 1.151 302 F CB 0.619 39.189 39.000 -0.718 0.000 1.391 302 F HN -0.290 nan 8.300 nan 0.000 0.566 303 D N 1.321 121.874 120.400 0.256 0.000 2.329 303 D HA 0.277 4.915 4.640 -0.004 0.000 0.232 303 D C -0.035 176.513 176.300 0.413 0.000 1.088 303 D CA -0.155 54.069 54.000 0.372 0.000 0.835 303 D CB 2.350 43.429 40.800 0.465 0.000 1.078 303 D HN -0.044 nan 8.370 nan 0.000 0.495 304 V N 3.206 123.339 119.914 0.366 0.000 2.479 304 V HA 0.051 4.168 4.120 -0.004 0.000 0.281 304 V C 1.031 177.140 176.094 0.026 0.000 1.031 304 V CA -0.603 61.804 62.300 0.179 0.000 1.038 304 V CB 0.694 32.576 31.823 0.099 0.000 0.981 304 V HN 0.377 nan 8.190 nan 0.000 0.478 305 V N 5.415 125.240 119.914 -0.149 0.000 3.237 305 V HA 0.405 4.523 4.120 -0.004 0.000 0.305 305 V C -1.532 174.344 176.094 -0.364 0.000 1.096 305 V CA -1.180 60.849 62.300 -0.451 0.000 1.130 305 V CB 0.211 31.869 31.823 -0.275 0.000 1.048 305 V HN 0.765 nan 8.190 nan 0.000 0.484 306 P HA 0.315 nan 4.420 nan 0.000 0.276 306 P C -1.032 176.212 177.300 -0.093 0.000 1.261 306 P CA -0.673 62.257 63.100 -0.283 0.000 0.800 306 P CB 0.961 32.413 31.700 -0.413 0.000 1.066 307 L N 1.213 122.453 121.223 0.027 0.000 2.265 307 L HA 0.179 4.516 4.340 -0.004 0.000 0.288 307 L C -0.106 176.833 176.870 0.115 0.000 1.058 307 L CA -0.320 54.587 54.840 0.113 0.000 0.809 307 L CB 0.658 42.836 42.059 0.197 0.000 1.179 307 L HN 0.063 nan 8.230 nan 0.000 0.429 308 V N 6.486 126.474 119.914 0.123 0.000 2.304 308 V HA 0.257 4.375 4.120 -0.004 0.000 0.262 308 V C -0.113 175.933 176.094 -0.081 0.000 1.061 308 V CA -0.640 61.651 62.300 -0.016 0.000 0.872 308 V CB 0.802 32.632 31.823 0.011 0.000 1.077 308 V HN 0.357 nan 8.190 nan 0.000 0.480 309 L N 4.522 125.707 121.223 -0.064 0.000 2.282 309 L HA 0.495 4.832 4.340 -0.004 0.000 0.288 309 L C 0.086 176.825 176.870 -0.219 0.000 1.033 309 L CA 0.241 55.023 54.840 -0.095 0.000 0.807 309 L CB 1.374 43.391 42.059 -0.071 0.000 1.209 309 L HN 0.645 nan 8.230 nan 0.000 0.423 310 Q N 2.702 122.377 119.800 -0.209 0.000 2.348 310 Q HA 0.769 5.107 4.340 -0.004 0.000 0.265 310 Q C -1.282 174.517 176.000 -0.335 0.000 0.998 310 Q CA -0.639 55.029 55.803 -0.224 0.000 0.831 310 Q CB 1.705 30.461 28.738 0.031 0.000 1.251 310 Q HN 0.772 nan 8.270 nan 0.000 0.456 311 A N 4.225 126.764 122.820 -0.469 0.000 2.331 311 A HA 0.424 4.741 4.320 -0.004 0.000 0.320 311 A C 0.187 177.223 177.584 -0.913 0.000 1.138 311 A CA -0.438 51.011 52.037 -0.981 0.000 0.790 311 A CB 0.842 19.474 19.000 -0.613 0.000 1.206 311 A HN 1.010 nan 8.150 nan 0.000 0.470 312 N N 0.536 118.371 118.700 -1.442 0.000 2.708 312 N HA -0.237 4.501 4.740 -0.004 0.000 0.251 312 N C 1.065 176.407 175.510 -0.280 0.000 1.123 312 N CA 2.505 55.294 53.050 -0.434 0.000 0.739 312 N CB -0.931 37.461 38.487 -0.158 0.000 1.113 312 N HN 2.168 nan 8.380 nan 0.000 0.561 313 G N -1.038 107.619 108.800 -0.239 0.000 2.205 313 G HA2 -0.370 3.587 3.960 -0.004 0.000 0.261 313 G HA3 -0.370 3.587 3.960 -0.004 0.000 0.261 313 G C 0.383 175.261 174.900 -0.036 0.000 0.980 313 G CA 0.723 45.765 45.100 -0.097 0.000 0.632 313 G HN 0.586 nan 8.290 nan 0.000 0.533 314 R N 0.740 121.166 120.500 -0.124 0.000 2.863 314 R HA 0.327 4.664 4.340 -0.004 0.000 0.273 314 R C 0.020 176.304 176.300 -0.025 0.000 1.057 314 R CA -0.153 55.911 56.100 -0.060 0.000 1.191 314 R CB 0.131 30.368 30.300 -0.106 0.000 1.104 314 R HN 0.229 nan 8.270 nan 0.000 0.519 315 D N 2.152 122.562 120.400 0.017 0.000 2.423 315 D HA 0.054 4.692 4.640 -0.004 0.000 0.238 315 D C -1.965 174.211 176.300 -0.207 0.000 1.142 315 D CA -0.816 53.147 54.000 -0.061 0.000 0.884 315 D CB 0.290 41.211 40.800 0.202 0.000 1.199 315 D HN 0.247 nan 8.370 nan 0.000 0.438 316 P HA 0.191 nan 4.420 nan 0.000 0.276 316 P C -0.779 176.372 177.300 -0.249 0.000 1.252 316 P CA -0.328 62.487 63.100 -0.475 0.000 0.802 316 P CB 1.185 32.254 31.700 -1.052 0.000 1.035 317 E N 0.448 120.554 120.200 -0.157 0.000 2.293 317 E HA 0.417 4.764 4.350 -0.004 0.000 0.270 317 E C -0.599 175.912 176.600 -0.148 0.000 0.879 317 E CA -0.901 55.410 56.400 -0.148 0.000 0.756 317 E CB 1.787 31.425 29.700 -0.103 0.000 1.208 317 E HN 0.358 nan 8.360 nan 0.000 0.428 318 L N 2.328 123.357 121.223 -0.323 0.000 2.371 318 L HA 0.462 4.800 4.340 -0.004 0.000 0.272 318 L C -0.681 175.838 176.870 -0.585 0.000 1.124 318 L CA -0.210 54.468 54.840 -0.270 0.000 0.816 318 L CB 0.174 42.115 42.059 -0.198 0.000 1.129 318 L HN 0.447 nan 8.230 nan 0.000 0.448 319 F N 0.494 120.278 119.950 -0.276 0.000 2.671 319 F HA 0.279 4.803 4.527 -0.004 0.000 0.332 319 F C 0.165 175.786 175.800 -0.298 0.000 1.189 319 F CA -0.664 57.026 58.000 -0.517 0.000 0.988 319 F CB 1.432 39.804 39.000 -1.045 0.000 1.258 319 F HN 0.419 nan 8.300 nan 0.000 0.471 320 E N 3.924 124.098 120.200 -0.044 0.000 2.344 320 E HA 0.283 4.631 4.350 -0.004 0.000 0.270 320 E C -0.168 176.575 176.600 0.238 0.000 1.021 320 E CA -0.214 56.246 56.400 0.101 0.000 0.887 320 E CB 1.244 31.024 29.700 0.132 0.000 0.997 320 E HN 0.497 nan 8.360 nan 0.000 0.429 321 I N 5.560 126.280 120.570 0.251 0.000 2.471 321 I HA 0.066 4.234 4.170 -0.004 0.000 0.286 321 I C -1.998 174.236 176.117 0.196 0.000 1.079 321 I CA -1.924 59.545 61.300 0.282 0.000 1.398 321 I CB 0.277 38.363 38.000 0.142 0.000 1.403 321 I HN 0.176 nan 8.210 nan 0.000 0.530 322 P HA 0.015 nan 4.420 nan 0.000 0.261 322 P C -1.755 175.597 177.300 0.086 0.000 1.203 322 P CA -0.869 62.309 63.100 0.130 0.000 0.767 322 P CB 0.046 31.808 31.700 0.103 0.000 0.785 323 P HA -0.234 nan 4.420 nan 0.000 0.218 323 P C 0.408 177.740 177.300 0.052 0.000 1.146 323 P CA 1.502 64.646 63.100 0.072 0.000 0.820 323 P CB 0.082 31.831 31.700 0.080 0.000 0.778 324 D N 0.030 120.457 120.400 0.045 0.000 2.178 324 D HA -0.103 4.534 4.640 -0.004 0.000 0.201 324 D C 1.922 178.235 176.300 0.022 0.000 0.980 324 D CA 0.821 54.840 54.000 0.031 0.000 0.842 324 D CB -0.588 40.229 40.800 0.028 0.000 0.948 324 D HN 0.230 nan 8.370 nan 0.000 0.472 325 L N 0.395 121.630 121.223 0.021 0.000 2.492 325 L HA 0.068 4.405 4.340 -0.004 0.000 0.223 325 L C 0.183 177.058 176.870 0.007 0.000 1.132 325 L CA 0.080 54.924 54.840 0.007 0.000 0.850 325 L CB 0.237 42.291 42.059 -0.009 0.000 0.966 325 L HN -0.071 nan 8.230 nan 0.000 0.454 326 V N 2.253 122.178 119.914 0.017 0.000 2.304 326 V HA 0.129 4.246 4.120 -0.004 0.000 0.262 326 V C -0.011 176.102 176.094 0.031 0.000 1.061 326 V CA -0.443 61.866 62.300 0.016 0.000 0.872 326 V CB 1.094 32.929 31.823 0.020 0.000 1.077 326 V HN 0.057 nan 8.190 nan 0.000 0.480 327 L N 5.896 127.139 121.223 0.033 0.000 2.281 327 L HA 0.509 4.846 4.340 -0.004 0.000 0.285 327 L C 0.112 177.004 176.870 0.037 0.000 1.074 327 L CA 0.671 55.526 54.840 0.024 0.000 0.817 327 L CB 0.550 42.618 42.059 0.014 0.000 1.168 327 L HN 0.643 nan 8.230 nan 0.000 0.434 328 E N 3.195 123.401 120.200 0.010 0.000 2.299 328 E HA 0.681 5.029 4.350 -0.004 0.000 0.260 328 E C -1.432 175.110 176.600 -0.098 0.000 0.944 328 E CA -1.085 55.319 56.400 0.007 0.000 0.815 328 E CB 2.454 32.183 29.700 0.049 0.000 1.252 328 E HN 0.394 nan 8.360 nan 0.000 0.418 329 V N 1.348 121.185 119.914 -0.128 0.000 2.525 329 V HA 0.451 4.569 4.120 -0.004 0.000 0.299 329 V C -0.510 175.532 176.094 -0.087 0.000 1.034 329 V CA -0.834 61.327 62.300 -0.232 0.000 0.863 329 V CB 1.482 32.934 31.823 -0.618 0.000 0.999 329 V HN 0.791 nan 8.190 nan 0.000 0.423 330 A N 6.900 129.676 122.820 -0.073 0.000 2.409 330 A HA 0.675 4.993 4.320 -0.004 0.000 0.262 330 A C 0.086 177.688 177.584 0.029 0.000 1.113 330 A CA -0.313 51.714 52.037 -0.016 0.000 0.790 330 A CB 0.182 19.175 19.000 -0.011 0.000 1.046 330 A HN 0.701 nan 8.150 nan 0.000 0.496 331 M N 2.817 122.480 119.600 0.105 0.000 2.162 331 M HA 0.306 4.783 4.480 -0.004 0.000 0.356 331 M C 0.146 176.567 176.300 0.201 0.000 1.303 331 M CA 0.357 55.763 55.300 0.175 0.000 1.116 331 M CB -0.014 32.779 32.600 0.323 0.000 1.632 331 M HN 0.861 nan 8.290 nan 0.000 0.469 332 E N 1.701 121.938 120.200 0.062 0.000 2.335 332 E HA 0.351 4.699 4.350 -0.004 0.000 0.280 332 E C -1.345 175.185 176.600 -0.116 0.000 0.918 332 E CA -0.852 55.584 56.400 0.060 0.000 0.765 332 E CB 1.807 31.566 29.700 0.098 0.000 1.218 332 E HN 0.630 nan 8.360 nan 0.000 0.425 333 H N 3.810 122.655 119.070 -0.374 0.000 2.502 333 H HA 0.197 4.750 4.556 -0.004 0.000 0.327 333 H C -1.603 173.494 175.328 -0.386 0.000 1.099 333 H CA -1.992 53.750 56.048 -0.509 0.000 1.323 333 H CB 1.745 31.113 29.762 -0.657 0.000 1.450 333 H HN 0.476 nan 8.280 nan 0.000 0.502 334 P HA -0.138 nan 4.420 nan 0.000 0.215 334 P C 0.657 177.792 177.300 -0.276 0.000 1.153 334 P CA 1.480 64.143 63.100 -0.729 0.000 0.853 334 P CB 0.747 31.833 31.700 -1.025 0.000 0.788 335 K N -1.528 118.813 120.400 -0.097 0.000 2.121 335 K HA 0.031 4.348 4.320 -0.004 0.000 0.203 335 K C 0.586 177.244 176.600 0.098 0.000 1.041 335 K CA 0.476 56.757 56.287 -0.011 0.000 0.969 335 K CB -0.219 32.226 32.500 -0.091 0.000 0.799 335 K HN 0.068 nan 8.250 nan 0.000 0.456 336 Y N 3.071 123.297 120.300 -0.124 0.000 2.624 336 Y HA 0.064 4.611 4.550 -0.004 0.000 0.354 336 Y C 1.025 176.633 175.900 -0.486 0.000 1.051 336 Y CA -0.645 57.101 58.100 -0.590 0.000 1.377 336 Y CB -0.312 37.337 38.460 -1.351 0.000 1.168 336 Y HN 0.157 nan 8.280 nan 0.000 0.525 337 E N 3.100 123.248 120.200 -0.087 0.000 2.274 337 E HA -0.159 4.189 4.350 -0.004 0.000 0.194 337 E C 1.458 178.104 176.600 0.077 0.000 0.996 337 E CA 0.903 57.315 56.400 0.019 0.000 0.840 337 E CB -0.079 29.669 29.700 0.080 0.000 0.772 337 E HN 0.881 nan 8.360 nan 0.000 0.491 338 W N -0.132 121.266 121.300 0.163 0.000 2.611 338 W HA -0.064 4.593 4.660 -0.004 0.000 0.251 338 W C 1.308 177.894 176.519 0.112 0.000 1.265 338 W CA -0.182 57.218 57.345 0.093 0.000 1.295 338 W CB -0.783 28.686 29.460 0.016 0.000 1.129 338 W HN -0.053 nan 8.180 nan 0.000 0.630 339 F N 2.781 122.627 119.950 -0.173 0.000 2.161 339 F HA -0.144 4.380 4.527 -0.004 0.000 0.300 339 F C 2.699 178.553 175.800 0.089 0.000 1.089 339 F CA 2.093 60.048 58.000 -0.075 0.000 1.282 339 F CB -0.357 38.491 39.000 -0.253 0.000 1.010 339 F HN -0.255 nan 8.300 nan 0.000 0.485 340 R N 0.111 120.782 120.500 0.284 0.000 2.127 340 R HA -0.194 4.144 4.340 -0.004 0.000 0.238 340 R C 1.950 178.344 176.300 0.157 0.000 1.134 340 R CA 1.710 57.937 56.100 0.210 0.000 0.975 340 R CB -0.591 29.800 30.300 0.152 0.000 0.865 340 R HN 0.428 nan 8.270 nan 0.000 0.447 341 E N 0.748 121.045 120.200 0.163 0.000 2.204 341 E HA -0.150 4.198 4.350 -0.004 0.000 0.195 341 E C 1.859 178.506 176.600 0.079 0.000 0.990 341 E CA 0.770 57.244 56.400 0.124 0.000 0.821 341 E CB -0.070 29.718 29.700 0.146 0.000 0.750 341 E HN 0.347 nan 8.360 nan 0.000 0.477 342 L N 0.650 121.898 121.223 0.042 0.000 2.275 342 L HA -0.096 4.241 4.340 -0.004 0.000 0.215 342 L C 0.286 177.180 176.870 0.040 0.000 1.119 342 L CA 0.591 55.415 54.840 -0.027 0.000 0.790 342 L CB -0.478 41.451 42.059 -0.215 0.000 0.919 342 L HN 0.120 nan 8.230 nan 0.000 0.443 343 E N 0.786 121.036 120.200 0.084 0.000 2.246 343 E HA -0.198 4.149 4.350 -0.004 0.000 0.211 343 E C -0.620 176.079 176.600 0.164 0.000 1.278 343 E CA 0.020 56.495 56.400 0.124 0.000 0.694 343 E CB -1.501 28.280 29.700 0.134 0.000 1.166 343 E HN 0.405 nan 8.360 nan 0.000 0.370 344 L N 0.688 121.971 121.223 0.100 0.000 2.334 344 L HA 0.669 5.007 4.340 -0.004 0.000 0.270 344 L C 0.462 177.281 176.870 -0.083 0.000 1.018 344 L CA -0.540 54.313 54.840 0.021 0.000 0.811 344 L CB 1.427 43.421 42.059 -0.107 0.000 1.271 344 L HN 0.206 nan 8.230 nan 0.000 0.443 345 K N -0.223 119.987 120.400 -0.318 0.000 2.617 345 K HA 0.520 4.837 4.320 -0.004 0.000 0.293 345 K C -2.059 174.588 176.600 0.077 0.000 1.034 345 K CA -1.068 55.122 56.287 -0.161 0.000 0.884 345 K CB 2.188 34.504 32.500 -0.308 0.000 1.541 345 K HN 0.592 nan 8.250 nan 0.000 0.409 346 W N 1.535 122.811 121.300 -0.040 0.000 3.275 346 W HA 0.289 4.947 4.660 -0.004 0.000 0.306 346 W C -1.382 175.184 176.519 0.079 0.000 1.259 346 W CA -0.771 56.602 57.345 0.047 0.000 1.194 346 W CB 1.376 30.742 29.460 -0.156 0.000 1.375 346 W HN 0.685 nan 8.180 nan 0.000 0.564 347 Y N 1.258 121.372 120.300 -0.310 0.000 2.379 347 Y HA 0.488 5.036 4.550 -0.004 0.000 0.337 347 Y C 0.801 176.871 175.900 0.283 0.000 1.238 347 Y CA 0.299 58.339 58.100 -0.101 0.000 1.405 347 Y CB 0.141 38.408 38.460 -0.321 0.000 1.310 347 Y HN 0.335 nan 8.280 nan 0.000 0.569 348 A N 2.357 125.412 122.820 0.391 0.000 2.081 348 A HA 0.143 4.461 4.320 -0.004 0.000 0.214 348 A C 0.365 178.255 177.584 0.509 0.000 1.158 348 A CA 0.113 52.445 52.037 0.491 0.000 0.724 348 A CB -0.167 18.977 19.000 0.240 0.000 0.826 348 A HN 0.647 nan 8.150 nan 0.000 0.463 349 L N 2.167 123.630 121.223 0.399 0.000 2.264 349 L HA 0.395 4.733 4.340 -0.004 0.000 0.287 349 L C -2.510 174.442 176.870 0.137 0.000 1.039 349 L CA -2.161 52.807 54.840 0.214 0.000 0.829 349 L CB 1.550 43.665 42.059 0.095 0.000 1.211 349 L HN -0.013 nan 8.230 nan 0.000 0.427 350 P HA 0.361 nan 4.420 nan 0.000 0.291 350 P C -1.443 175.702 177.300 -0.257 0.000 1.340 350 P CA -0.345 62.533 63.100 -0.370 0.000 0.799 350 P CB 1.407 32.519 31.700 -0.980 0.000 0.917 351 A N 4.291 126.976 122.820 -0.225 0.000 2.411 351 A HA 0.451 4.769 4.320 -0.004 0.000 0.285 351 A C -0.477 176.858 177.584 -0.416 0.000 1.129 351 A CA -0.653 51.184 52.037 -0.333 0.000 0.736 351 A CB 1.169 19.978 19.000 -0.319 0.000 1.186 351 A HN 0.284 nan 8.150 nan 0.000 0.445 352 V N 2.557 122.062 119.914 -0.682 0.000 2.455 352 V HA 0.419 4.536 4.120 -0.004 0.000 0.273 352 V C 1.167 176.810 176.094 -0.751 0.000 1.045 352 V CA 0.835 62.690 62.300 -0.743 0.000 0.976 352 V CB 0.708 31.930 31.823 -1.003 0.000 0.993 352 V HN 1.110 nan 8.190 nan 0.000 0.475 353 A N 4.404 127.000 122.820 -0.373 0.000 2.013 353 A HA 0.056 4.373 4.320 -0.004 0.000 0.204 353 A C 1.641 179.191 177.584 -0.056 0.000 1.262 353 A CA 0.583 52.507 52.037 -0.188 0.000 0.800 353 A CB -0.349 18.597 19.000 -0.090 0.000 0.909 353 A HN 0.914 nan 8.150 nan 0.000 0.472 354 N N -0.783 117.888 118.700 -0.049 0.000 2.627 354 N HA 0.058 4.796 4.740 -0.004 0.000 0.196 354 N C 0.425 175.965 175.510 0.049 0.000 1.268 354 N CA 0.175 53.237 53.050 0.020 0.000 0.904 354 N CB -0.262 38.233 38.487 0.013 0.000 1.016 354 N HN 0.426 nan 8.380 nan 0.000 0.448 355 M N 0.712 120.344 119.600 0.054 0.000 2.573 355 M HA 0.353 4.831 4.480 -0.004 0.000 0.309 355 M C -0.633 175.800 176.300 0.222 0.000 1.202 355 M CA -1.035 54.344 55.300 0.131 0.000 0.975 355 M CB 2.187 34.867 32.600 0.132 0.000 1.600 355 M HN 0.117 nan 8.290 nan 0.000 0.479 356 L N 2.253 123.626 121.223 0.250 0.000 2.329 356 L HA 0.601 4.938 4.340 -0.004 0.000 0.279 356 L C -1.562 175.507 176.870 0.331 0.000 1.014 356 L CA -0.984 54.025 54.840 0.281 0.000 0.814 356 L CB 1.481 43.676 42.059 0.226 0.000 1.257 356 L HN 0.592 nan 8.230 nan 0.000 0.424 357 L N 4.752 126.158 121.223 0.305 0.000 2.282 357 L HA 0.476 4.814 4.340 -0.004 0.000 0.288 357 L C -0.532 176.467 176.870 0.215 0.000 1.033 357 L CA 0.219 55.145 54.840 0.144 0.000 0.807 357 L CB 1.235 43.299 42.059 0.008 0.000 1.209 357 L HN 0.640 nan 8.230 nan 0.000 0.423 358 E N 4.958 125.261 120.200 0.173 0.000 2.133 358 E HA 0.438 4.785 4.350 -0.004 0.000 0.274 358 E C -1.867 174.783 176.600 0.083 0.000 0.930 358 E CA -0.447 56.074 56.400 0.201 0.000 0.770 358 E CB 1.586 31.502 29.700 0.359 0.000 1.104 358 E HN 0.496 nan 8.360 nan 0.000 0.403 359 V N 3.222 123.161 119.914 0.041 0.000 2.447 359 V HA 0.339 4.457 4.120 -0.004 0.000 0.292 359 V C 0.698 176.706 176.094 -0.143 0.000 1.021 359 V CA -0.324 61.899 62.300 -0.129 0.000 0.850 359 V CB 1.408 33.053 31.823 -0.297 0.000 1.005 359 V HN 0.892 nan 8.190 nan 0.000 0.426 360 G N 3.533 112.320 108.800 -0.021 0.000 2.421 360 G HA2 0.072 4.029 3.960 -0.004 0.000 0.300 360 G HA3 0.072 4.029 3.960 -0.004 0.000 0.300 360 G C 1.290 176.285 174.900 0.159 0.000 0.974 360 G CA 1.200 46.385 45.100 0.141 0.000 1.062 360 G HN 2.279 nan 8.290 nan 0.000 0.514 361 G N -1.664 107.196 108.800 0.100 0.000 2.299 361 G HA2 -0.248 3.709 3.960 -0.004 0.000 0.237 361 G HA3 -0.248 3.709 3.960 -0.004 0.000 0.237 361 G C 0.648 175.559 174.900 0.019 0.000 1.027 361 G CA 0.353 45.501 45.100 0.079 0.000 0.619 361 G HN 1.233 nan 8.290 nan 0.000 0.513 362 L N 1.002 122.211 121.223 -0.023 0.000 2.452 362 L HA 0.585 4.922 4.340 -0.004 0.000 0.267 362 L C 0.475 177.291 176.870 -0.090 0.000 1.188 362 L CA -0.036 54.716 54.840 -0.148 0.000 0.821 362 L CB 0.757 42.667 42.059 -0.248 0.000 1.102 362 L HN 0.280 nan 8.230 nan 0.000 0.470 363 E N 1.646 121.704 120.200 -0.236 0.000 2.272 363 E HA 0.448 4.795 4.350 -0.004 0.000 0.269 363 E C -1.640 174.792 176.600 -0.281 0.000 0.877 363 E CA -0.499 55.839 56.400 -0.104 0.000 0.755 363 E CB 2.207 31.860 29.700 -0.077 0.000 1.192 363 E HN 0.235 nan 8.360 nan 0.000 0.422 364 F N 3.098 123.062 119.950 0.025 0.000 2.532 364 F HA 0.262 4.787 4.527 -0.005 0.000 0.365 364 F C -1.640 174.231 175.800 0.120 0.000 1.112 364 F CA -1.976 56.062 58.000 0.063 0.000 1.082 364 F CB 1.560 40.587 39.000 0.045 0.000 1.319 364 F HN 0.319 nan 8.300 nan 0.000 0.457 365 P HA -0.007 nan 4.420 nan 0.000 0.226 365 P C 0.611 178.079 177.300 0.279 0.000 1.153 365 P CA 0.710 63.942 63.100 0.219 0.000 0.777 365 P CB 0.574 32.367 31.700 0.154 0.000 0.794 366 G N 0.487 109.514 108.800 0.377 0.000 2.671 366 G HA2 0.447 4.405 3.960 -0.004 0.000 0.318 366 G HA3 0.447 4.405 3.960 -0.004 0.000 0.318 366 G C -0.477 174.689 174.900 0.442 0.000 1.250 366 G CA -0.358 45.033 45.100 0.485 0.000 1.028 366 G HN 0.298 nan 8.290 nan 0.000 0.501 367 C N 1.251 120.734 119.300 0.305 0.000 3.354 367 C HA 0.475 4.933 4.460 -0.004 0.000 0.314 367 C C -3.057 172.054 174.990 0.201 0.000 1.019 367 C CA -2.165 56.967 59.018 0.191 0.000 1.293 367 C CB 0.627 28.497 27.740 0.216 0.000 1.747 367 C HN 0.423 nan 8.230 nan 0.000 0.580 368 P HA 0.553 nan 4.420 nan 0.000 0.280 368 P C -0.546 176.817 177.300 0.106 0.000 1.244 368 P CA 0.326 63.408 63.100 -0.030 0.000 0.784 368 P CB 0.321 32.008 31.700 -0.023 0.000 0.913 369 F N 0.469 120.353 119.950 -0.111 0.000 2.599 369 F HA 0.705 5.229 4.527 -0.004 0.000 0.311 369 F C -0.674 174.995 175.800 -0.218 0.000 1.076 369 F CA -1.029 56.882 58.000 -0.148 0.000 0.937 369 F CB 1.755 40.521 39.000 -0.389 0.000 1.282 369 F HN 0.229 nan 8.300 nan 0.000 0.460 370 N N 0.337 119.046 118.700 0.015 0.000 2.525 370 N HA 0.794 5.532 4.740 -0.004 0.000 0.270 370 N C -1.222 174.191 175.510 -0.163 0.000 1.321 370 N CA -0.453 52.529 53.050 -0.113 0.000 0.797 370 N CB 2.120 40.571 38.487 -0.059 0.000 1.529 370 N HN 1.074 nan 8.380 nan 0.000 0.491 371 G N -0.929 107.741 108.800 -0.217 0.000 3.085 371 G HA2 0.647 4.604 3.960 -0.004 0.000 0.264 371 G HA3 0.647 4.604 3.960 -0.004 0.000 0.264 371 G C -1.885 172.947 174.900 -0.114 0.000 1.206 371 G CA -0.807 44.109 45.100 -0.306 0.000 0.809 371 G HN 0.698 nan 8.290 nan 0.000 0.592 372 W N -1.372 119.904 121.300 -0.040 0.000 2.719 372 W HA 0.825 5.482 4.660 -0.004 0.000 0.352 372 W C -1.269 175.219 176.519 -0.052 0.000 1.085 372 W CA -2.152 55.182 57.345 -0.018 0.000 1.187 372 W CB 0.394 29.885 29.460 0.052 0.000 1.417 372 W HN 0.421 nan 8.180 nan 0.000 0.557 373 Y N 2.315 122.779 120.300 0.273 0.000 2.426 373 Y HA 0.237 4.785 4.550 -0.004 0.000 0.344 373 Y C 0.682 176.613 175.900 0.051 0.000 1.256 373 Y CA -0.577 57.560 58.100 0.062 0.000 1.451 373 Y CB 0.987 39.392 38.460 -0.092 0.000 1.342 373 Y HN 0.464 nan 8.280 nan 0.000 0.600 374 M N 2.074 121.805 119.600 0.218 0.000 2.181 374 M HA 0.383 4.861 4.480 -0.004 0.000 0.323 374 M C 1.019 177.279 176.300 -0.066 0.000 1.004 374 M CA -0.201 55.147 55.300 0.080 0.000 0.941 374 M CB 1.423 34.062 32.600 0.065 0.000 1.579 374 M HN 0.816 nan 8.290 nan 0.000 0.427 375 G N 2.169 110.900 108.800 -0.115 0.000 2.783 375 G HA2 -0.417 3.540 3.960 -0.004 0.000 0.225 375 G HA3 -0.417 3.540 3.960 -0.004 0.000 0.225 375 G C 1.146 175.901 174.900 -0.242 0.000 1.191 375 G CA 2.387 47.371 45.100 -0.193 0.000 0.774 375 G HN 0.920 nan 8.290 nan 0.000 0.632 376 T N -0.798 113.639 114.554 -0.195 0.000 2.737 376 T HA -0.158 4.189 4.350 -0.004 0.000 0.269 376 T C 1.965 176.486 174.700 -0.298 0.000 1.040 376 T CA 1.966 63.899 62.100 -0.279 0.000 1.142 376 T CB -0.509 68.146 68.868 -0.355 0.000 0.861 376 T HN 0.601 nan 8.240 nan 0.000 0.456 377 E N 0.891 120.937 120.200 -0.257 0.000 2.086 377 E HA -0.122 4.226 4.350 -0.004 0.000 0.200 377 E C 2.204 178.509 176.600 -0.493 0.000 1.012 377 E CA 1.796 58.044 56.400 -0.253 0.000 0.812 377 E CB -0.353 29.326 29.700 -0.035 0.000 0.743 377 E HN 0.624 nan 8.360 nan 0.000 0.453 378 I N 0.123 120.243 120.570 -0.749 0.000 2.270 378 I HA -0.068 4.100 4.170 -0.004 0.000 0.239 378 I C 2.631 178.133 176.117 -1.026 0.000 1.080 378 I CA 0.833 61.395 61.300 -1.230 0.000 1.383 378 I CB -0.692 36.448 38.000 -1.433 0.000 1.097 378 I HN 0.122 nan 8.210 nan 0.000 0.420 379 G N 1.066 109.500 108.800 -0.611 0.000 2.514 379 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.217 379 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.217 379 G C 1.650 176.464 174.900 -0.143 0.000 1.198 379 G CA 1.371 46.315 45.100 -0.261 0.000 0.780 379 G HN 0.217 nan 8.290 nan 0.000 0.565 380 V N 0.576 120.370 119.914 -0.200 0.000 2.302 380 V HA -0.018 4.100 4.120 -0.004 0.000 0.243 380 V C 2.935 178.947 176.094 -0.136 0.000 1.036 380 V CA 1.521 63.734 62.300 -0.146 0.000 1.020 380 V CB -0.434 31.273 31.823 -0.193 0.000 0.657 380 V HN 0.159 nan 8.190 nan 0.000 0.453 381 R N 0.618 120.995 120.500 -0.205 0.000 2.060 381 R HA -0.046 4.291 4.340 -0.004 0.000 0.225 381 R C 2.038 178.257 176.300 -0.135 0.000 1.155 381 R CA 1.532 57.534 56.100 -0.164 0.000 0.930 381 R CB -1.332 28.857 30.300 -0.185 0.000 0.829 381 R HN 0.462 nan 8.270 nan 0.000 0.433 382 D N 0.422 120.635 120.400 -0.312 0.000 2.133 382 D HA -0.153 4.485 4.640 -0.004 0.000 0.195 382 D C 1.837 178.171 176.300 0.058 0.000 0.997 382 D CA 1.217 55.020 54.000 -0.327 0.000 0.840 382 D CB -0.148 39.934 40.800 -1.196 0.000 0.947 382 D HN 0.108 nan 8.370 nan 0.000 0.452 383 F N -0.012 119.865 119.950 -0.120 0.000 2.446 383 F HA 0.062 4.587 4.527 -0.004 0.000 0.292 383 F C 2.387 178.234 175.800 0.078 0.000 1.096 383 F CA -0.337 57.679 58.000 0.027 0.000 1.438 383 F CB -0.663 38.332 39.000 -0.007 0.000 1.107 383 F HN 0.036 nan 8.300 nan 0.000 0.546 384 C N -1.204 118.221 119.300 0.208 0.000 2.611 384 C HA 0.144 4.602 4.460 -0.004 0.000 0.282 384 C C 0.449 175.489 174.990 0.083 0.000 1.321 384 C CA -0.595 58.500 59.018 0.128 0.000 1.747 384 C CB -0.584 27.196 27.740 0.067 0.000 2.124 384 C HN 0.101 nan 8.230 nan 0.000 0.531 385 D N 1.265 121.704 120.400 0.065 0.000 2.533 385 D HA 0.052 4.689 4.640 -0.004 0.000 0.236 385 D C 1.153 177.494 176.300 0.068 0.000 1.137 385 D CA 0.339 54.365 54.000 0.044 0.000 0.867 385 D CB 0.865 41.686 40.800 0.035 0.000 1.170 385 D HN -0.002 nan 8.370 nan 0.000 0.474 386 V N 2.980 122.923 119.914 0.048 0.000 2.407 386 V HA -0.258 3.860 4.120 -0.004 0.000 0.248 386 V C 2.318 178.440 176.094 0.048 0.000 1.055 386 V CA 1.696 64.027 62.300 0.051 0.000 1.049 386 V CB -0.595 31.252 31.823 0.040 0.000 0.662 386 V HN 0.672 nan 8.190 nan 0.000 0.455 387 Q N -0.214 119.613 119.800 0.044 0.000 2.482 387 Q HA -0.044 4.293 4.340 -0.004 0.000 0.209 387 Q C 1.243 177.270 176.000 0.044 0.000 0.961 387 Q CA 0.695 56.523 55.803 0.042 0.000 0.945 387 Q CB 0.095 28.859 28.738 0.044 0.000 1.012 387 Q HN 0.469 nan 8.270 nan 0.000 0.515 388 R N -0.256 120.284 120.500 0.066 0.000 2.893 388 R HA 0.247 4.585 4.340 -0.004 0.000 0.159 388 R C 1.584 177.910 176.300 0.044 0.000 1.366 388 R CA -0.482 55.674 56.100 0.094 0.000 0.929 388 R CB -1.156 29.265 30.300 0.201 0.000 1.796 388 R HN 0.056 nan 8.270 nan 0.000 0.464 389 Y N 1.458 121.893 120.300 0.224 0.000 2.421 389 Y HA -0.036 4.511 4.550 -0.004 0.000 0.292 389 Y C 0.558 176.543 175.900 0.141 0.000 1.136 389 Y CA 1.123 59.354 58.100 0.217 0.000 1.255 389 Y CB -0.303 38.364 38.460 0.345 0.000 0.991 389 Y HN 0.543 nan 8.280 nan 0.000 0.552 390 N N 1.090 119.935 118.700 0.241 0.000 2.620 390 N HA -0.219 4.518 4.740 -0.004 0.000 0.293 390 N C 0.368 175.965 175.510 0.145 0.000 1.178 390 N CA 0.373 53.519 53.050 0.159 0.000 0.750 390 N CB -0.733 37.816 38.487 0.103 0.000 0.949 390 N HN 0.625 nan 8.380 nan 0.000 0.555 391 I N -0.842 119.817 120.570 0.148 0.000 4.082 391 I HA 0.091 4.258 4.170 -0.004 0.000 0.337 391 I C 1.620 177.807 176.117 0.116 0.000 1.352 391 I CA -0.540 60.819 61.300 0.098 0.000 1.097 391 I CB 0.042 38.061 38.000 0.031 0.000 1.048 391 I HN 0.266 nan 8.210 nan 0.000 0.393 392 L N 2.265 123.577 121.223 0.148 0.000 1.997 392 L HA -0.246 4.092 4.340 -0.004 0.000 0.216 392 L C 2.544 179.595 176.870 0.302 0.000 1.074 392 L CA 2.503 57.459 54.840 0.194 0.000 0.763 392 L CB -0.646 41.486 42.059 0.122 0.000 0.890 392 L HN 0.484 nan 8.230 nan 0.000 0.434 393 E N -0.267 120.088 120.200 0.258 0.000 2.033 393 E HA -0.315 4.033 4.350 -0.004 0.000 0.199 393 E C 2.085 178.707 176.600 0.037 0.000 1.011 393 E CA 1.851 58.364 56.400 0.187 0.000 0.815 393 E CB -0.353 29.405 29.700 0.097 0.000 0.755 393 E HN 0.547 nan 8.360 nan 0.000 0.451 394 E N -0.177 120.034 120.200 0.018 0.000 2.033 394 E HA -0.206 4.142 4.350 -0.004 0.000 0.199 394 E C 2.164 178.708 176.600 -0.093 0.000 1.011 394 E CA 2.400 58.766 56.400 -0.057 0.000 0.815 394 E CB -0.592 29.080 29.700 -0.047 0.000 0.755 394 E HN 0.284 nan 8.360 nan 0.000 0.451 395 V N -0.809 119.110 119.914 0.007 0.000 2.720 395 V HA -0.026 4.092 4.120 -0.004 0.000 0.256 395 V C 2.050 178.177 176.094 0.054 0.000 1.082 395 V CA 2.134 64.471 62.300 0.062 0.000 1.101 395 V CB -1.091 30.900 31.823 0.279 0.000 0.693 395 V HN 0.327 nan 8.190 nan 0.000 0.479 396 G N 0.619 109.479 108.800 0.100 0.000 2.402 396 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.216 396 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.216 396 G C 1.745 176.528 174.900 -0.194 0.000 1.162 396 G CA 0.820 45.963 45.100 0.073 0.000 0.777 396 G HN 0.548 nan 8.290 nan 0.000 0.539 397 R N -0.022 120.311 120.500 -0.278 0.000 2.066 397 R HA 0.035 4.372 4.340 -0.004 0.000 0.232 397 R C 2.691 178.762 176.300 -0.381 0.000 1.131 397 R CA 0.787 56.693 56.100 -0.323 0.000 0.955 397 R CB -0.348 29.780 30.300 -0.286 0.000 0.851 397 R HN 0.150 nan 8.270 nan 0.000 0.432 398 R N 0.770 120.958 120.500 -0.520 0.000 2.105 398 R HA -0.065 4.272 4.340 -0.004 0.000 0.239 398 R C 2.049 177.824 176.300 -0.876 0.000 1.135 398 R CA 1.342 56.859 56.100 -0.971 0.000 0.967 398 R CB -0.352 28.927 30.300 -1.703 0.000 0.861 398 R HN 0.340 nan 8.270 nan 0.000 0.442 399 M N -0.451 118.885 119.600 -0.440 0.000 2.595 399 M HA 0.091 4.568 4.480 -0.004 0.000 0.248 399 M C 0.660 176.856 176.300 -0.173 0.000 1.119 399 M CA 0.733 55.919 55.300 -0.190 0.000 1.079 399 M CB 0.265 32.899 32.600 0.056 0.000 1.472 399 M HN 0.343 nan 8.290 nan 0.000 0.501 400 G N 2.216 110.881 108.800 -0.225 0.000 2.272 400 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.280 400 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.280 400 G C -0.220 174.606 174.900 -0.123 0.000 1.067 400 G CA -0.103 44.891 45.100 -0.177 0.000 0.902 400 G HN 0.399 nan 8.290 nan 0.000 0.500 401 L N -1.007 120.137 121.223 -0.131 0.000 2.400 401 L HA 0.460 4.797 4.340 -0.004 0.000 0.264 401 L C 1.029 177.773 176.870 -0.209 0.000 1.061 401 L CA -0.960 53.830 54.840 -0.084 0.000 0.799 401 L CB 0.744 42.831 42.059 0.046 0.000 1.240 401 L HN 0.148 nan 8.230 nan 0.000 0.461 402 E N 0.501 120.615 120.200 -0.143 0.000 1.842 402 E HA -0.022 4.325 4.350 -0.004 0.000 0.278 402 E C 0.673 176.951 176.600 -0.537 0.000 1.171 402 E CA -0.035 56.247 56.400 -0.197 0.000 1.127 402 E CB -0.001 29.680 29.700 -0.031 0.000 1.100 402 E HN 0.632 nan 8.360 nan 0.000 0.456 403 T N -2.057 111.919 114.554 -0.964 0.000 3.219 403 T HA -0.137 4.211 4.350 -0.004 0.000 0.264 403 T C 0.898 174.902 174.700 -1.160 0.000 1.178 403 T CA 1.026 62.044 62.100 -1.802 0.000 1.057 403 T CB -0.201 67.717 68.868 -1.582 0.000 0.919 403 T HN 0.454 nan 8.240 nan 0.000 0.545 404 H N -0.513 118.355 119.070 -0.337 0.000 2.788 404 H HA 0.394 4.947 4.556 -0.004 0.000 0.262 404 H C 0.857 176.209 175.328 0.040 0.000 0.968 404 H CA -0.178 55.813 56.048 -0.093 0.000 1.218 404 H CB 0.557 30.263 29.762 -0.092 0.000 1.443 404 H HN 0.227 nan 8.280 nan 0.000 0.478 405 K N 2.149 122.635 120.400 0.143 0.000 2.263 405 K HA 0.101 4.419 4.320 -0.004 0.000 0.282 405 K C 0.483 177.250 176.600 0.278 0.000 1.089 405 K CA -0.123 56.267 56.287 0.171 0.000 0.907 405 K CB 0.441 33.012 32.500 0.119 0.000 1.148 405 K HN 0.251 nan 8.250 nan 0.000 0.470 406 L N 3.138 124.513 121.223 0.253 0.000 2.042 406 L HA -0.193 4.145 4.340 -0.004 0.000 0.210 406 L C 2.121 179.072 176.870 0.135 0.000 1.076 406 L CA 1.520 56.491 54.840 0.220 0.000 0.749 406 L CB -0.322 41.812 42.059 0.126 0.000 0.893 406 L HN 0.784 nan 8.230 nan 0.000 0.432 407 A N -0.414 122.473 122.820 0.112 0.000 2.225 407 A HA -0.156 4.162 4.320 -0.004 0.000 0.215 407 A C 2.336 179.975 177.584 0.091 0.000 1.164 407 A CA 1.453 53.536 52.037 0.077 0.000 0.710 407 A CB -0.513 18.525 19.000 0.064 0.000 0.780 407 A HN 0.562 nan 8.150 nan 0.000 0.473 408 S N -0.728 115.061 115.700 0.148 0.000 2.527 408 S HA 0.136 4.604 4.470 -0.004 0.000 0.222 408 S C 0.890 175.578 174.600 0.146 0.000 0.985 408 S CA 0.586 58.881 58.200 0.158 0.000 0.921 408 S CB -0.666 62.662 63.200 0.214 0.000 0.772 408 S HN 0.833 nan 8.310 nan 0.000 0.529 409 L N 0.601 121.880 121.223 0.094 0.000 4.040 409 L HA -0.179 4.158 4.340 -0.004 0.000 0.410 409 L C 1.667 178.542 176.870 0.008 0.000 1.187 409 L CA 0.768 55.604 54.840 -0.007 0.000 0.956 409 L CB -2.580 39.485 42.059 0.010 0.000 2.022 409 L HN 0.751 nan 8.230 nan 0.000 0.897 410 W N 0.300 121.610 121.300 0.016 0.000 2.358 410 W HA -0.174 4.484 4.660 -0.004 0.000 0.303 410 W C 1.751 178.286 176.519 0.025 0.000 1.208 410 W CA 1.387 58.741 57.345 0.016 0.000 1.274 410 W CB -0.736 28.719 29.460 -0.009 0.000 1.138 410 W HN 0.231 nan 8.180 nan 0.000 0.515 411 K N 1.045 120.798 120.400 -1.079 0.000 2.074 411 K HA -0.201 4.116 4.320 -0.004 0.000 0.209 411 K C 1.532 177.914 176.600 -0.363 0.000 1.048 411 K CA 2.586 58.245 56.287 -1.047 0.000 0.926 411 K CB -0.301 31.539 32.500 -1.100 0.000 0.713 411 K HN 0.136 nan 8.250 nan 0.000 0.444 412 D N 0.082 120.341 120.400 -0.234 0.000 2.103 412 D HA -0.131 4.506 4.640 -0.004 0.000 0.199 412 D C 1.934 178.232 176.300 -0.004 0.000 0.978 412 D CA 0.948 54.890 54.000 -0.097 0.000 0.829 412 D CB 0.016 40.774 40.800 -0.070 0.000 0.981 412 D HN 0.169 nan 8.370 nan 0.000 0.464 413 Q N 0.321 120.149 119.800 0.048 0.000 2.096 413 Q HA -0.150 4.187 4.340 -0.004 0.000 0.204 413 Q C 2.258 178.354 176.000 0.160 0.000 0.982 413 Q CA 1.385 57.258 55.803 0.116 0.000 0.850 413 Q CB -0.184 28.647 28.738 0.155 0.000 0.901 413 Q HN 0.300 nan 8.270 nan 0.000 0.422 414 A N 0.229 123.154 122.820 0.174 0.000 1.877 414 A HA -0.169 4.148 4.320 -0.004 0.000 0.216 414 A C 2.255 179.952 177.584 0.189 0.000 1.186 414 A CA 1.560 53.736 52.037 0.232 0.000 0.620 414 A CB -1.021 18.137 19.000 0.264 0.000 0.822 414 A HN 0.303 nan 8.150 nan 0.000 0.443 415 V N -0.206 119.765 119.914 0.094 0.000 2.407 415 V HA -0.195 3.923 4.120 -0.004 0.000 0.248 415 V C 2.446 178.593 176.094 0.087 0.000 1.055 415 V CA 2.317 64.661 62.300 0.073 0.000 1.049 415 V CB -0.379 31.439 31.823 -0.007 0.000 0.662 415 V HN 0.336 nan 8.190 nan 0.000 0.455 416 V N -0.184 119.782 119.914 0.086 0.000 2.295 416 V HA -0.230 3.887 4.120 -0.004 0.000 0.246 416 V C 2.551 178.716 176.094 0.119 0.000 1.049 416 V CA 2.378 64.734 62.300 0.092 0.000 1.024 416 V CB -0.765 31.112 31.823 0.089 0.000 0.648 416 V HN 0.560 nan 8.190 nan 0.000 0.447 417 E N 0.078 120.383 120.200 0.174 0.000 2.077 417 E HA -0.153 4.195 4.350 -0.004 0.000 0.193 417 E C 1.986 178.731 176.600 0.242 0.000 0.989 417 E CA 1.287 57.824 56.400 0.229 0.000 0.800 417 E CB -0.329 29.549 29.700 0.298 0.000 0.746 417 E HN 0.597 nan 8.360 nan 0.000 0.452 418 I N 0.768 121.505 120.570 0.278 0.000 2.226 418 I HA -0.268 3.900 4.170 -0.004 0.000 0.245 418 I C 1.949 178.162 176.117 0.159 0.000 1.100 418 I CA 0.906 62.398 61.300 0.320 0.000 1.374 418 I CB -0.327 37.891 38.000 0.364 0.000 1.057 418 I HN 0.150 nan 8.210 nan 0.000 0.413 419 N N 0.895 119.653 118.700 0.097 0.000 2.309 419 N HA -0.062 4.675 4.740 -0.004 0.000 0.182 419 N C 1.960 177.464 175.510 -0.009 0.000 1.018 419 N CA 1.157 54.221 53.050 0.025 0.000 0.876 419 N CB 0.100 38.593 38.487 0.011 0.000 0.972 419 N HN 0.382 nan 8.380 nan 0.000 0.434 420 I N 1.180 121.737 120.570 -0.021 0.000 2.252 420 I HA -0.195 3.973 4.170 -0.004 0.000 0.245 420 I C 2.435 178.439 176.117 -0.187 0.000 1.102 420 I CA 0.561 61.797 61.300 -0.107 0.000 1.385 420 I CB -0.252 37.651 38.000 -0.162 0.000 1.064 420 I HN 0.033 nan 8.210 nan 0.000 0.414 421 A N 0.591 123.266 122.820 -0.241 0.000 1.908 421 A HA -0.171 4.146 4.320 -0.004 0.000 0.218 421 A C 2.426 179.930 177.584 -0.133 0.000 1.181 421 A CA 1.865 53.685 52.037 -0.361 0.000 0.627 421 A CB -0.982 17.544 19.000 -0.790 0.000 0.818 421 A HN 0.237 nan 8.150 nan 0.000 0.445 422 V N 0.169 120.056 119.914 -0.046 0.000 2.255 422 V HA -0.286 3.832 4.120 -0.004 0.000 0.247 422 V C 2.597 178.708 176.094 0.028 0.000 1.051 422 V CA 2.074 64.386 62.300 0.021 0.000 1.018 422 V CB -0.874 30.899 31.823 -0.082 0.000 0.641 422 V HN 0.577 nan 8.190 nan 0.000 0.445 423 L N -0.492 120.707 121.223 -0.039 0.000 1.989 423 L HA -0.264 4.073 4.340 -0.004 0.000 0.211 423 L C 2.665 179.558 176.870 0.039 0.000 1.071 423 L CA 2.405 57.229 54.840 -0.026 0.000 0.749 423 L CB -0.978 41.061 42.059 -0.033 0.000 0.890 423 L HN 0.495 nan 8.230 nan 0.000 0.431 424 H N 0.002 119.019 119.070 -0.088 0.000 2.319 424 H HA -0.185 4.368 4.556 -0.004 0.000 0.297 424 H C 2.347 177.647 175.328 -0.047 0.000 1.097 424 H CA 2.101 58.084 56.048 -0.108 0.000 1.285 424 H CB -0.145 29.480 29.762 -0.228 0.000 1.368 424 H HN 0.166 nan 8.280 nan 0.000 0.495 425 S N -0.498 115.085 115.700 -0.196 0.000 2.370 425 S HA -0.128 4.340 4.470 -0.004 0.000 0.226 425 S C 1.940 176.469 174.600 -0.119 0.000 1.033 425 S CA 1.294 59.372 58.200 -0.204 0.000 1.011 425 S CB -0.462 62.726 63.200 -0.021 0.000 0.852 425 S HN 0.340 nan 8.310 nan 0.000 0.457 426 F N 1.954 121.813 119.950 -0.152 0.000 2.113 426 F HA -0.073 4.452 4.527 -0.004 0.000 0.297 426 F C 2.643 178.368 175.800 -0.125 0.000 1.103 426 F CA 1.041 58.978 58.000 -0.104 0.000 1.248 426 F CB -0.716 38.245 39.000 -0.065 0.000 0.999 426 F HN 0.201 nan 8.300 nan 0.000 0.475 427 Q N -0.016 119.812 119.800 0.047 0.000 2.061 427 Q HA -0.256 4.082 4.340 -0.004 0.000 0.204 427 Q C 2.232 178.172 176.000 -0.099 0.000 0.984 427 Q CA 1.740 57.526 55.803 -0.029 0.000 0.846 427 Q CB -0.370 28.351 28.738 -0.029 0.000 0.902 427 Q HN 0.326 nan 8.270 nan 0.000 0.421 428 K N 0.683 120.957 120.400 -0.210 0.000 2.209 428 K HA -0.159 4.158 4.320 -0.004 0.000 0.204 428 K C 1.390 177.895 176.600 -0.159 0.000 1.048 428 K CA 1.118 57.271 56.287 -0.223 0.000 0.940 428 K CB 0.179 32.435 32.500 -0.406 0.000 0.729 428 K HN 0.242 nan 8.250 nan 0.000 0.451 429 Q N 0.288 119.987 119.800 -0.167 0.000 2.246 429 Q HA 0.089 4.427 4.340 -0.004 0.000 0.202 429 Q C -0.709 175.218 176.000 -0.122 0.000 0.883 429 Q CA -0.227 55.486 55.803 -0.151 0.000 0.952 429 Q CB 0.539 29.157 28.738 -0.199 0.000 1.078 429 Q HN 0.287 nan 8.270 nan 0.000 0.493 430 N N -0.115 118.530 118.700 -0.092 0.000 2.740 430 N HA -0.145 4.592 4.740 -0.004 0.000 0.248 430 N C -1.119 174.355 175.510 -0.059 0.000 1.062 430 N CA 0.599 53.609 53.050 -0.067 0.000 0.704 430 N CB -1.590 36.860 38.487 -0.062 0.000 0.968 430 N HN 0.030 nan 8.380 nan 0.000 0.547 431 V N 0.654 120.542 119.914 -0.043 0.000 2.459 431 V HA 0.272 4.390 4.120 -0.004 0.000 0.295 431 V C 0.861 177.046 176.094 0.152 0.000 1.029 431 V CA -0.646 61.661 62.300 0.010 0.000 0.874 431 V CB 2.091 33.828 31.823 -0.143 0.000 0.985 431 V HN 0.171 nan 8.190 nan 0.000 0.438 432 T N 6.125 120.726 114.554 0.079 0.000 2.871 432 T HA 0.380 4.727 4.350 -0.004 0.000 0.296 432 T C -0.305 174.436 174.700 0.069 0.000 0.998 432 T CA 0.818 62.887 62.100 -0.051 0.000 1.162 432 T CB -0.062 68.658 68.868 -0.246 0.000 0.947 432 T HN 0.476 nan 8.240 nan 0.000 0.536 433 I N 2.880 123.415 120.570 -0.058 0.000 3.006 433 I HA 0.655 4.823 4.170 -0.004 0.000 0.306 433 I C -1.393 174.675 176.117 -0.081 0.000 1.250 433 I CA -1.082 60.164 61.300 -0.090 0.000 0.996 433 I CB 2.280 40.121 38.000 -0.263 0.000 1.261 433 I HN 0.701 nan 8.210 nan 0.000 0.442 434 M N 6.356 125.970 119.600 0.022 0.000 2.213 434 M HA 0.393 4.871 4.480 -0.004 0.000 0.286 434 M C -1.694 174.643 176.300 0.060 0.000 1.008 434 M CA -0.645 54.702 55.300 0.079 0.000 0.937 434 M CB 1.272 34.036 32.600 0.273 0.000 1.600 434 M HN 0.687 nan 8.290 nan 0.000 0.450 435 D N 4.278 124.697 120.400 0.032 0.000 2.372 435 D HA -0.018 4.619 4.640 -0.004 0.000 0.243 435 D C 0.909 177.222 176.300 0.021 0.000 1.121 435 D CA -0.020 54.000 54.000 0.034 0.000 0.898 435 D CB 0.547 41.347 40.800 0.000 0.000 1.202 435 D HN 0.837 nan 8.370 nan 0.000 0.428 436 H N 1.288 120.316 119.070 -0.070 0.000 2.457 436 H HA -0.177 4.377 4.556 -0.004 0.000 0.297 436 H C 1.129 176.365 175.328 -0.153 0.000 1.092 436 H CA 1.238 57.201 56.048 -0.142 0.000 1.309 436 H CB -0.590 29.027 29.762 -0.241 0.000 1.382 436 H HN 0.555 nan 8.280 nan 0.000 0.535 437 H N 1.031 119.852 119.070 -0.415 0.000 2.326 437 H HA -0.001 4.552 4.556 -0.004 0.000 0.301 437 H C 2.347 177.636 175.328 -0.064 0.000 1.081 437 H CA 1.455 57.365 56.048 -0.229 0.000 1.334 437 H CB 0.125 29.723 29.762 -0.273 0.000 1.385 437 H HN 0.366 nan 8.280 nan 0.000 0.504 438 S N 0.778 116.522 115.700 0.073 0.000 2.382 438 S HA -0.099 4.368 4.470 -0.004 0.000 0.228 438 S C 2.466 177.130 174.600 0.107 0.000 1.027 438 S CA 0.799 59.048 58.200 0.082 0.000 0.991 438 S CB -0.232 63.007 63.200 0.065 0.000 0.823 438 S HN 0.503 nan 8.310 nan 0.000 0.469 439 A N 1.920 124.801 122.820 0.102 0.000 1.865 439 A HA 0.047 4.365 4.320 -0.004 0.000 0.217 439 A C 2.409 180.080 177.584 0.146 0.000 1.191 439 A CA 1.822 53.937 52.037 0.130 0.000 0.623 439 A CB -1.282 17.779 19.000 0.103 0.000 0.826 439 A HN 0.522 nan 8.150 nan 0.000 0.444 440 A N -0.392 122.491 122.820 0.105 0.000 1.883 440 A HA -0.212 4.105 4.320 -0.004 0.000 0.217 440 A C 1.952 179.661 177.584 0.208 0.000 1.186 440 A CA 1.788 53.905 52.037 0.133 0.000 0.624 440 A CB -0.618 18.428 19.000 0.077 0.000 0.822 440 A HN 0.650 nan 8.150 nan 0.000 0.444 441 E N -0.119 120.181 120.200 0.167 0.000 2.077 441 E HA -0.171 4.176 4.350 -0.004 0.000 0.193 441 E C 2.412 179.117 176.600 0.175 0.000 0.989 441 E CA 1.444 57.942 56.400 0.162 0.000 0.800 441 E CB -0.200 29.573 29.700 0.122 0.000 0.746 441 E HN 0.785 nan 8.360 nan 0.000 0.452 442 S N 0.534 116.339 115.700 0.176 0.000 2.382 442 S HA -0.199 4.268 4.470 -0.004 0.000 0.228 442 S C 1.918 176.640 174.600 0.205 0.000 1.027 442 S CA 0.791 59.092 58.200 0.169 0.000 0.991 442 S CB -0.454 62.845 63.200 0.164 0.000 0.823 442 S HN 0.313 nan 8.310 nan 0.000 0.469 443 F N 2.184 122.203 119.950 0.116 0.000 2.102 443 F HA -0.009 4.515 4.527 -0.004 0.000 0.298 443 F C 2.352 178.283 175.800 0.218 0.000 1.105 443 F CA 1.683 59.773 58.000 0.151 0.000 1.239 443 F CB -0.325 38.731 39.000 0.095 0.000 0.991 443 F HN 0.121 nan 8.300 nan 0.000 0.474 444 M N 0.217 119.993 119.600 0.294 0.000 2.106 444 M HA -0.229 4.248 4.480 -0.004 0.000 0.259 444 M C 2.140 178.507 176.300 0.111 0.000 1.068 444 M CA 1.634 57.062 55.300 0.213 0.000 1.100 444 M CB -1.376 31.364 32.600 0.234 0.000 1.351 444 M HN 0.083 nan 8.290 nan 0.000 0.404 445 K N 0.100 120.565 120.400 0.109 0.000 2.002 445 K HA -0.197 4.121 4.320 -0.004 0.000 0.209 445 K C 2.041 178.665 176.600 0.039 0.000 1.048 445 K CA 1.545 57.882 56.287 0.084 0.000 0.930 445 K CB -1.005 31.550 32.500 0.092 0.000 0.714 445 K HN 0.317 nan 8.250 nan 0.000 0.438 446 Y N 0.512 120.736 120.300 -0.126 0.000 2.114 446 Y HA -0.285 4.262 4.550 -0.004 0.000 0.282 446 Y C 2.220 177.958 175.900 -0.270 0.000 1.165 446 Y CA 2.568 60.547 58.100 -0.200 0.000 1.148 446 Y CB -0.379 37.899 38.460 -0.302 0.000 0.972 446 Y HN 0.179 nan 8.280 nan 0.000 0.504 447 M N 0.193 119.498 119.600 -0.492 0.000 2.080 447 M HA -0.308 4.169 4.480 -0.004 0.000 0.260 447 M C 2.538 178.684 176.300 -0.255 0.000 1.068 447 M CA 2.364 57.352 55.300 -0.519 0.000 1.109 447 M CB -0.363 32.046 32.600 -0.318 0.000 1.342 447 M HN 0.552 nan 8.290 nan 0.000 0.405 448 Q N 0.107 119.896 119.800 -0.017 0.000 2.096 448 Q HA -0.231 4.106 4.340 -0.004 0.000 0.204 448 Q C 1.452 177.518 176.000 0.111 0.000 0.982 448 Q CA 1.994 57.942 55.803 0.241 0.000 0.850 448 Q CB -0.090 28.796 28.738 0.247 0.000 0.901 448 Q HN 0.590 nan 8.270 nan 0.000 0.422 449 N N 0.609 119.279 118.700 -0.051 0.000 2.166 449 N HA -0.154 4.583 4.740 -0.004 0.000 0.186 449 N C 1.539 176.948 175.510 -0.168 0.000 1.019 449 N CA 1.169 54.172 53.050 -0.079 0.000 0.856 449 N CB -0.286 38.151 38.487 -0.083 0.000 0.993 449 N HN 0.301 nan 8.380 nan 0.000 0.426 450 E N 0.224 120.191 120.200 -0.388 0.000 2.085 450 E HA -0.142 4.205 4.350 -0.004 0.000 0.194 450 E C 1.581 177.935 176.600 -0.410 0.000 0.994 450 E CA 0.872 56.960 56.400 -0.520 0.000 0.801 450 E CB -0.396 28.805 29.700 -0.832 0.000 0.743 450 E HN 0.542 nan 8.360 nan 0.000 0.453 451 Y N 0.619 120.793 120.300 -0.210 0.000 2.571 451 Y HA -0.045 4.503 4.550 -0.004 0.000 0.294 451 Y C 2.344 178.247 175.900 0.004 0.000 1.141 451 Y CA 0.759 58.817 58.100 -0.071 0.000 1.308 451 Y CB 0.125 38.604 38.460 0.032 0.000 1.002 451 Y HN -0.007 nan 8.280 nan 0.000 0.551 452 R N -1.481 119.065 120.500 0.075 0.000 2.087 452 R HA 0.006 4.343 4.340 -0.004 0.000 0.216 452 R C 2.281 178.580 176.300 -0.001 0.000 1.114 452 R CA 1.091 57.225 56.100 0.057 0.000 1.002 452 R CB -0.423 29.906 30.300 0.048 0.000 0.903 452 R HN 0.104 nan 8.270 nan 0.000 0.445 453 S N 1.648 117.319 115.700 -0.049 0.000 2.343 453 S HA -0.148 4.319 4.470 -0.004 0.000 0.219 453 S C 1.654 176.204 174.600 -0.084 0.000 1.033 453 S CA 1.683 59.844 58.200 -0.064 0.000 1.014 453 S CB -0.102 63.044 63.200 -0.089 0.000 0.915 453 S HN 0.431 nan 8.310 nan 0.000 0.435 454 R N 0.169 120.583 120.500 -0.143 0.000 2.590 454 R HA 0.437 4.775 4.340 -0.004 0.000 0.410 454 R C 0.728 176.935 176.300 -0.154 0.000 1.010 454 R CA 0.286 56.301 56.100 -0.141 0.000 1.155 454 R CB -0.312 29.887 30.300 -0.169 0.000 1.455 454 R HN 0.270 nan 8.270 nan 0.000 0.567 455 G N 0.365 109.085 108.800 -0.134 0.000 2.356 455 G HA2 -0.138 3.819 3.960 -0.004 0.000 0.296 455 G HA3 -0.138 3.819 3.960 -0.004 0.000 0.296 455 G C 0.190 174.951 174.900 -0.232 0.000 1.022 455 G CA 0.416 45.480 45.100 -0.060 0.000 0.961 455 G HN 0.879 nan 8.290 nan 0.000 0.510 456 G N -2.572 105.785 108.800 -0.739 0.000 2.411 456 G HA2 0.590 4.547 3.960 -0.004 0.000 0.295 456 G HA3 0.590 4.547 3.960 -0.004 0.000 0.295 456 G C -1.009 173.359 174.900 -0.886 0.000 1.542 456 G CA 0.283 44.916 45.100 -0.778 0.000 0.814 456 G HN 1.687 nan 8.290 nan 0.000 0.557 457 C N 2.724 121.673 119.300 -0.585 0.000 3.044 457 C HA 0.589 5.046 4.460 -0.004 0.000 0.382 457 C C -2.599 172.232 174.990 -0.266 0.000 1.071 457 C CA -1.129 57.645 59.018 -0.407 0.000 1.296 457 C CB 1.075 28.542 27.740 -0.455 0.000 1.730 457 C HN 0.657 nan 8.230 nan 0.000 0.513 458 P HA 0.390 nan 4.420 nan 0.000 0.267 458 P C -0.655 176.524 177.300 -0.201 0.000 1.209 458 P CA 0.597 63.286 63.100 -0.685 0.000 0.763 458 P CB 1.065 32.374 31.700 -0.650 0.000 0.816 459 A N 2.793 125.544 122.820 -0.115 0.000 2.429 459 A HA 0.332 4.649 4.320 -0.004 0.000 0.289 459 A C -0.851 176.781 177.584 0.081 0.000 1.043 459 A CA -0.573 51.503 52.037 0.065 0.000 0.722 459 A CB 1.009 20.135 19.000 0.210 0.000 1.243 459 A HN 0.432 nan 8.150 nan 0.000 0.415 460 D N 2.471 122.919 120.400 0.079 0.000 2.441 460 D HA 0.100 4.737 4.640 -0.004 0.000 0.221 460 D C 0.928 177.358 176.300 0.216 0.000 1.156 460 D CA -0.410 53.672 54.000 0.136 0.000 0.896 460 D CB 0.218 41.063 40.800 0.076 0.000 1.028 460 D HN 0.633 nan 8.370 nan 0.000 0.509 461 W N 4.593 125.921 121.300 0.047 0.000 2.304 461 W HA -0.248 4.409 4.660 -0.004 0.000 0.315 461 W C 1.802 178.354 176.519 0.055 0.000 1.233 461 W CA 1.215 58.576 57.345 0.027 0.000 1.261 461 W CB -0.099 29.363 29.460 0.002 0.000 1.150 461 W HN 0.460 nan 8.180 nan 0.000 0.494 462 I N -0.957 119.935 120.570 0.537 0.000 2.248 462 I HA -0.328 3.840 4.170 -0.004 0.000 0.248 462 I C 1.784 178.028 176.117 0.211 0.000 1.107 462 I CA 1.605 63.157 61.300 0.421 0.000 1.373 462 I CB -0.668 37.585 38.000 0.422 0.000 1.055 462 I HN 0.128 nan 8.210 nan 0.000 0.418 463 W N 0.158 121.450 121.300 -0.014 0.000 2.704 463 W HA 0.124 4.781 4.660 -0.004 0.000 0.266 463 W C 2.220 178.637 176.519 -0.170 0.000 1.266 463 W CA 0.260 57.565 57.345 -0.067 0.000 1.377 463 W CB -0.307 29.141 29.460 -0.020 0.000 1.082 463 W HN -0.023 nan 8.180 nan 0.000 0.608 464 L N -0.393 120.793 121.223 -0.061 0.000 2.179 464 L HA -0.010 4.328 4.340 -0.004 0.000 0.208 464 L C 0.676 177.322 176.870 -0.374 0.000 1.096 464 L CA 0.357 55.025 54.840 -0.286 0.000 0.779 464 L CB -0.903 40.889 42.059 -0.445 0.000 0.922 464 L HN -0.413 nan 8.230 nan 0.000 0.443 465 V N 1.426 121.045 119.914 -0.492 0.000 2.470 465 V HA 0.121 4.238 4.120 -0.004 0.000 0.276 465 V C -1.875 174.030 176.094 -0.315 0.000 1.040 465 V CA -1.374 60.636 62.300 -0.483 0.000 1.008 465 V CB 0.251 31.605 31.823 -0.782 0.000 0.990 465 V HN 0.041 nan 8.190 nan 0.000 0.477 466 P HA 0.088 nan 4.420 nan 0.000 0.266 466 P C -2.015 175.132 177.300 -0.255 0.000 1.193 466 P CA -0.793 62.159 63.100 -0.247 0.000 0.770 466 P CB 0.006 31.568 31.700 -0.230 0.000 0.836 467 P HA -0.061 nan 4.420 nan 0.000 0.231 467 P C 0.163 177.334 177.300 -0.215 0.000 1.158 467 P CA 1.395 64.358 63.100 -0.230 0.000 0.763 467 P CB -0.104 31.455 31.700 -0.235 0.000 0.805 468 M N -5.773 113.662 119.600 -0.275 0.000 2.484 468 M HA 0.549 5.027 4.480 -0.004 0.000 0.289 468 M C -0.423 175.768 176.300 -0.182 0.000 1.206 468 M CA -0.749 54.416 55.300 -0.225 0.000 0.892 468 M CB 2.132 34.584 32.600 -0.247 0.000 1.712 468 M HN -0.390 nan 8.290 nan 0.000 0.462 469 S N 0.989 116.632 115.700 -0.095 0.000 3.614 469 S HA -0.164 4.304 4.470 -0.004 0.000 0.360 469 S C 1.099 175.647 174.600 -0.087 0.000 1.023 469 S CA 0.729 58.904 58.200 -0.042 0.000 1.114 469 S CB -1.811 61.445 63.200 0.093 0.000 0.907 469 S HN 1.212 nan 8.310 nan 0.000 0.470 470 G N 1.996 110.705 108.800 -0.151 0.000 2.586 470 G HA2 -0.313 3.644 3.960 -0.004 0.000 0.218 470 G HA3 -0.313 3.644 3.960 -0.004 0.000 0.218 470 G C 1.457 176.144 174.900 -0.354 0.000 1.216 470 G CA 1.438 46.430 45.100 -0.179 0.000 0.786 470 G HN 0.904 nan 8.290 nan 0.000 0.583 471 S N 0.061 115.285 115.700 -0.793 0.000 2.440 471 S HA -0.077 4.391 4.470 -0.004 0.000 0.238 471 S C 2.151 176.698 174.600 -0.090 0.000 1.010 471 S CA 0.972 58.626 58.200 -0.911 0.000 0.972 471 S CB -0.249 62.488 63.200 -0.773 0.000 0.774 471 S HN 0.201 nan 8.310 nan 0.000 0.501 472 I N 2.126 122.680 120.570 -0.026 0.000 3.291 472 I HA 0.067 4.235 4.170 -0.004 0.000 0.279 472 I C 1.103 177.333 176.117 0.188 0.000 1.294 472 I CA 0.544 61.916 61.300 0.120 0.000 1.428 472 I CB -1.977 36.118 38.000 0.159 0.000 1.070 472 I HN 0.431 nan 8.210 nan 0.000 0.478 473 T N -1.049 113.597 114.554 0.154 0.000 2.824 473 T HA 0.365 4.713 4.350 -0.004 0.000 0.280 473 T C -1.403 173.469 174.700 0.286 0.000 0.995 473 T CA -1.863 60.340 62.100 0.171 0.000 1.009 473 T CB 2.405 71.312 68.868 0.064 0.000 0.955 473 T HN -0.105 nan 8.240 nan 0.000 0.452 474 P HA -0.159 nan 4.420 nan 0.000 0.218 474 P C 1.867 179.385 177.300 0.362 0.000 1.148 474 P CA 1.336 64.647 63.100 0.352 0.000 0.822 474 P CB -0.306 31.546 31.700 0.253 0.000 0.784 475 V N -3.174 116.882 119.914 0.237 0.000 2.469 475 V HA -0.230 3.887 4.120 -0.004 0.000 0.251 475 V C 2.395 178.553 176.094 0.107 0.000 1.064 475 V CA 1.559 63.945 62.300 0.143 0.000 1.066 475 V CB -2.297 29.490 31.823 -0.060 0.000 0.667 475 V HN -0.090 nan 8.190 nan 0.000 0.461 476 F N 1.903 121.821 119.950 -0.052 0.000 2.161 476 F HA -0.181 4.343 4.527 -0.004 0.000 0.300 476 F C 2.460 178.394 175.800 0.223 0.000 1.089 476 F CA 2.380 60.351 58.000 -0.048 0.000 1.282 476 F CB -0.343 38.530 39.000 -0.211 0.000 1.010 476 F HN 0.300 nan 8.300 nan 0.000 0.485 477 H N -1.106 118.261 119.070 0.495 0.000 2.548 477 H HA 0.074 4.627 4.556 -0.004 0.000 0.265 477 H C 0.481 176.052 175.328 0.404 0.000 0.969 477 H CA 0.272 56.580 56.048 0.433 0.000 1.155 477 H CB -0.189 29.838 29.762 0.442 0.000 1.394 477 H HN 0.254 nan 8.280 nan 0.000 0.570 478 Q N 2.173 122.251 119.800 0.463 0.000 2.295 478 Q HA 0.096 4.433 4.340 -0.004 0.000 0.259 478 Q C -0.511 175.721 176.000 0.386 0.000 0.976 478 Q CA -0.144 55.892 55.803 0.389 0.000 0.923 478 Q CB 0.597 29.551 28.738 0.359 0.000 1.185 478 Q HN 0.242 nan 8.270 nan 0.000 0.410 479 E N 4.133 124.502 120.200 0.282 0.000 2.338 479 E HA 0.345 4.693 4.350 -0.004 0.000 0.272 479 E C -0.458 176.264 176.600 0.203 0.000 1.029 479 E CA -0.002 56.522 56.400 0.207 0.000 0.872 479 E CB 0.680 30.479 29.700 0.164 0.000 1.015 479 E HN 0.662 nan 8.360 nan 0.000 0.417 480 M N 1.204 120.919 119.600 0.192 0.000 2.470 480 M HA 0.466 4.944 4.480 -0.004 0.000 0.285 480 M C -1.467 174.920 176.300 0.145 0.000 1.213 480 M CA -0.927 54.488 55.300 0.191 0.000 0.901 480 M CB 1.410 34.165 32.600 0.259 0.000 1.718 480 M HN 0.219 nan 8.290 nan 0.000 0.469 481 L N 1.908 123.217 121.223 0.143 0.000 2.309 481 L HA 0.536 4.873 4.340 -0.004 0.000 0.282 481 L C -0.453 176.435 176.870 0.030 0.000 1.036 481 L CA -0.405 54.523 54.840 0.147 0.000 0.806 481 L CB 1.638 43.864 42.059 0.278 0.000 1.220 481 L HN 0.825 nan 8.230 nan 0.000 0.429 482 N N 2.590 121.327 118.700 0.061 0.000 2.408 482 N HA 0.541 5.279 4.740 -0.004 0.000 0.280 482 N C -1.799 173.750 175.510 0.065 0.000 1.002 482 N CA -0.443 52.586 53.050 -0.036 0.000 0.907 482 N CB 1.246 39.755 38.487 0.038 0.000 1.161 482 N HN 0.490 nan 8.380 nan 0.000 0.488 483 Y N -0.263 120.058 120.300 0.035 0.000 2.565 483 Y HA 0.395 4.943 4.550 -0.004 0.000 0.330 483 Y C -1.424 174.442 175.900 -0.057 0.000 1.150 483 Y CA -1.203 56.892 58.100 -0.008 0.000 1.055 483 Y CB 0.291 38.753 38.460 0.003 0.000 1.337 483 Y HN -0.021 nan 8.280 nan 0.000 0.457 484 V N 4.444 124.368 119.914 0.017 0.000 2.432 484 V HA 0.427 4.545 4.120 -0.004 0.000 0.275 484 V C 0.229 176.219 176.094 -0.174 0.000 1.043 484 V CA -0.305 61.783 62.300 -0.353 0.000 0.925 484 V CB 0.556 32.014 31.823 -0.609 0.000 0.985 484 V HN 0.795 nan 8.190 nan 0.000 0.466 485 L N 2.890 124.029 121.223 -0.141 0.000 2.664 485 L HA 0.787 5.125 4.340 -0.004 0.000 0.253 485 L C 0.123 177.002 176.870 0.015 0.000 1.293 485 L CA -0.594 54.254 54.840 0.013 0.000 1.280 485 L CB 1.703 43.822 42.059 0.100 0.000 1.993 485 L HN 0.624 nan 8.230 nan 0.000 0.577 486 S N -0.731 115.019 115.700 0.083 0.000 2.566 486 S HA 0.522 4.989 4.470 -0.004 0.000 0.273 486 S C -2.754 171.925 174.600 0.131 0.000 1.157 486 S CA -0.983 57.291 58.200 0.124 0.000 0.938 486 S CB 1.941 65.224 63.200 0.140 0.000 1.087 486 S HN 0.123 nan 8.310 nan 0.000 0.474 487 P HA 0.449 nan 4.420 nan 0.000 0.271 487 P C -1.217 176.085 177.300 0.004 0.000 1.238 487 P CA -0.067 63.039 63.100 0.010 0.000 0.794 487 P CB 0.242 31.872 31.700 -0.116 0.000 0.959 488 F N -0.260 119.501 119.950 -0.315 0.000 2.703 488 F HA 0.407 4.931 4.527 -0.004 0.000 0.308 488 F C -1.709 173.775 175.800 -0.528 0.000 1.126 488 F CA -0.701 57.033 58.000 -0.442 0.000 0.959 488 F CB 1.092 39.816 39.000 -0.461 0.000 1.297 488 F HN 0.153 nan 8.300 nan 0.000 0.441 489 Y N 4.299 124.039 120.300 -0.934 0.000 2.491 489 Y HA 0.436 4.983 4.550 -0.004 0.000 0.334 489 Y C -0.979 174.577 175.900 -0.573 0.000 0.969 489 Y CA -0.701 57.046 58.100 -0.588 0.000 1.241 489 Y CB 0.301 38.379 38.460 -0.636 0.000 1.105 489 Y HN 0.337 nan 8.280 nan 0.000 0.503 490 Y N 1.288 121.642 120.300 0.090 0.000 2.335 490 Y HA 0.333 4.880 4.550 -0.004 0.000 0.323 490 Y C -0.152 175.762 175.900 0.023 0.000 1.224 490 Y CA -1.051 57.133 58.100 0.139 0.000 1.241 490 Y CB 0.694 39.288 38.460 0.222 0.000 1.235 490 Y HN 0.434 nan 8.280 nan 0.000 0.492 491 Y N 1.075 121.530 120.300 0.259 0.000 2.314 491 Y HA 0.248 4.795 4.550 -0.004 0.000 0.334 491 Y C 0.321 176.291 175.900 0.115 0.000 1.266 491 Y CA -0.277 57.903 58.100 0.133 0.000 1.391 491 Y CB 0.582 39.088 38.460 0.076 0.000 1.306 491 Y HN 0.456 nan 8.280 nan 0.000 0.558 492 Q N 0.128 120.055 119.800 0.212 0.000 2.445 492 Q HA 0.584 4.922 4.340 -0.004 0.000 0.281 492 Q C -1.362 174.629 176.000 -0.014 0.000 1.101 492 Q CA -1.323 54.527 55.803 0.078 0.000 0.833 492 Q CB 2.430 31.187 28.738 0.032 0.000 1.416 492 Q HN 0.346 nan 8.270 nan 0.000 0.451 493 V N 1.724 121.583 119.914 -0.092 0.000 2.530 493 V HA 0.044 4.162 4.120 -0.004 0.000 0.282 493 V C -0.282 175.607 176.094 -0.343 0.000 1.048 493 V CA -0.298 61.893 62.300 -0.182 0.000 0.997 493 V CB 0.892 32.616 31.823 -0.165 0.000 0.987 493 V HN 0.672 nan 8.190 nan 0.000 0.477 494 E N 3.324 123.220 120.200 -0.507 0.000 2.729 494 E HA 0.047 4.394 4.350 -0.004 0.000 0.246 494 E C 1.306 177.264 176.600 -1.070 0.000 0.984 494 E CA 0.630 56.447 56.400 -0.971 0.000 0.951 494 E CB 0.347 29.116 29.700 -1.551 0.000 0.914 494 E HN 0.788 nan 8.360 nan 0.000 0.509 495 A N 4.499 126.703 122.820 -1.026 0.000 1.915 495 A HA -0.255 4.062 4.320 -0.004 0.000 0.220 495 A C 1.784 178.725 177.584 -1.072 0.000 1.198 495 A CA 2.260 53.606 52.037 -1.152 0.000 0.647 495 A CB -1.149 16.663 19.000 -1.980 0.000 0.825 495 A HN 0.989 nan 8.150 nan 0.000 0.456 496 W N -0.087 120.660 121.300 -0.922 0.000 2.387 496 W HA -0.059 4.598 4.660 -0.004 0.000 0.272 496 W C 1.453 177.951 176.519 -0.035 0.000 1.224 496 W CA 1.143 58.315 57.345 -0.288 0.000 1.210 496 W CB -0.280 29.282 29.460 0.170 0.000 1.125 496 W HN 0.195 nan 8.180 nan 0.000 0.572 497 K N 0.186 120.371 120.400 -0.358 0.000 2.366 497 K HA -0.009 4.308 4.320 -0.004 0.000 0.198 497 K C 1.862 178.408 176.600 -0.091 0.000 1.044 497 K CA 1.714 57.911 56.287 -0.149 0.000 0.973 497 K CB -0.133 32.201 32.500 -0.275 0.000 0.767 497 K HN 0.446 nan 8.250 nan 0.000 0.475 498 T N -3.666 110.795 114.554 -0.155 0.000 2.989 498 T HA -0.017 4.331 4.350 -0.004 0.000 0.250 498 T C 0.597 175.240 174.700 -0.095 0.000 0.981 498 T CA -0.350 61.685 62.100 -0.109 0.000 0.980 498 T CB -0.369 68.417 68.868 -0.137 0.000 1.133 498 T HN 0.166 nan 8.240 nan 0.000 0.489 499 H N 1.815 120.740 119.070 -0.241 0.000 3.115 499 H HA 0.345 4.899 4.556 -0.004 0.000 0.324 499 H C -0.636 174.517 175.328 -0.292 0.000 1.007 499 H CA 0.356 56.239 56.048 -0.274 0.000 1.385 499 H CB 0.387 29.947 29.762 -0.336 0.000 1.351 499 H HN 0.126 nan 8.280 nan 0.000 0.592 500 V N 6.865 126.236 119.914 -0.904 0.000 2.350 500 V HA 0.077 4.194 4.120 -0.004 0.000 0.276 500 V C -0.269 175.400 176.094 -0.708 0.000 1.028 500 V CA -0.659 61.307 62.300 -0.557 0.000 0.860 500 V CB 0.094 31.739 31.823 -0.297 0.000 0.990 500 V HN 0.734 nan 8.190 nan 0.000 0.453 501 W N 3.248 124.491 121.300 -0.095 0.000 2.170 501 W HA 0.403 5.060 4.660 -0.004 0.000 0.336 501 W C 0.706 177.238 176.519 0.021 0.000 1.283 501 W CA -0.090 57.298 57.345 0.071 0.000 1.224 501 W CB 0.339 29.881 29.460 0.137 0.000 1.132 501 W HN 0.523 nan 8.180 nan 0.000 0.571 502 Q N 0.000 119.998 119.800 0.329 0.000 2.315 502 Q HA 0.000 4.337 4.340 -0.004 0.000 0.214 502 Q CA 0.000 55.908 55.803 0.176 0.000 1.022 502 Q CB 0.000 28.811 28.738 0.122 0.000 1.108 502 Q HN 0.000 nan 8.270 nan 0.000 0.481