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 2cb4_1_F DATA FIRST_RESID 33 DATA SEQUENCE NSPKDNTWIQ AASLTWLXDX SSLLYQLIST RIPSFASPNG LHXREQTIDS DATA SEQUENCE NTGQIQIDNE HRLLRWDRRP PNDIFLNGFI PRVTNQNLSP VEDTHLLNYL DATA SEQUENCE RTNSPSIFVS TTRARYNNLG LEITPWTPHS ANNNIIYRYE IFAPGGIDIN DATA SEQUENCE ASFSRNHNPF PNEDQITFPG GIRPEFIRST YEYHNGEIVR IWINPNFINP DATA SEQUENCE STLNDVSGPS NISKVFWHEN HSEGNNXDSX XXXXXXXYNQ DFDXFAPNGE DATA SEQUENCE IPNNNLLNNN SLNVIQ 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 33 N HA 0.000 nan 4.740 nan 0.000 0.220 33 N C 0.000 175.264 175.510 -0.410 0.000 1.280 33 N CA 0.000 52.987 53.050 -0.105 0.000 0.885 33 N CB 0.000 38.440 38.487 -0.079 0.000 1.341 34 S N 0.691 116.083 115.700 -0.513 0.000 2.593 34 S HA 0.042 4.512 4.470 0.000 0.000 0.303 34 S C -2.411 171.767 174.600 -0.703 0.000 1.267 34 S CA -0.369 57.324 58.200 -0.846 0.000 1.047 34 S CB -0.046 62.925 63.200 -0.381 0.000 0.777 34 S HN 0.183 nan 8.310 nan 0.000 0.498 35 P HA 0.329 nan 4.420 nan 0.000 0.278 35 P C 0.339 177.475 177.300 -0.272 0.000 1.238 35 P CA -0.679 62.103 63.100 -0.531 0.000 0.794 35 P CB 0.622 31.910 31.700 -0.688 0.000 0.955 36 K N 1.035 121.325 120.400 -0.182 0.000 2.057 36 K HA -0.035 4.285 4.320 0.000 0.000 0.206 36 K C 0.562 177.136 176.600 -0.043 0.000 1.050 36 K CA 1.608 57.834 56.287 -0.101 0.000 0.935 36 K CB -0.510 31.941 32.500 -0.083 0.000 0.715 36 K HN 0.688 nan 8.250 nan 0.000 0.439 37 D N -1.035 119.359 120.400 -0.010 0.000 2.585 37 D HA 0.041 4.681 4.640 0.000 0.000 0.254 37 D C 0.127 176.526 176.300 0.164 0.000 1.067 37 D CA -0.820 53.211 54.000 0.052 0.000 1.090 37 D CB -0.056 40.765 40.800 0.036 0.000 1.408 37 D HN -0.137 nan 8.370 nan 0.000 0.554 38 N N -1.224 117.575 118.700 0.164 0.000 2.313 38 N HA -0.013 4.728 4.740 0.000 0.000 0.207 38 N C 0.468 176.051 175.510 0.122 0.000 1.141 38 N CA -0.063 53.106 53.050 0.198 0.000 0.830 38 N CB -0.396 38.125 38.487 0.056 0.000 1.008 38 N HN 0.366 nan 8.380 nan 0.000 0.481 39 T N 0.466 115.121 114.554 0.167 0.000 2.737 39 T HA -0.153 4.197 4.350 0.000 0.000 0.269 39 T C 1.383 176.148 174.700 0.108 0.000 1.040 39 T CA 1.681 63.839 62.100 0.097 0.000 1.142 39 T CB -0.379 68.535 68.868 0.076 0.000 0.861 39 T HN 0.659 nan 8.240 nan 0.000 0.456 40 W N 2.998 124.263 121.300 -0.058 0.000 2.364 40 W HA 0.002 4.662 4.660 0.000 0.000 0.281 40 W C 1.323 177.814 176.519 -0.046 0.000 1.219 40 W CA 0.724 58.026 57.345 -0.071 0.000 1.220 40 W CB -1.074 28.344 29.460 -0.071 0.000 1.127 40 W HN 0.432 nan 8.180 nan 0.000 0.556 41 I N -1.481 118.731 120.570 -0.598 0.000 3.936 41 I HA 0.273 4.443 4.170 0.000 0.000 0.330 41 I C 1.732 177.685 176.117 -0.273 0.000 1.509 41 I CA -0.316 60.650 61.300 -0.557 0.000 1.126 41 I CB -0.283 37.174 38.000 -0.906 0.000 1.115 41 I HN -0.104 nan 8.210 nan 0.000 0.424 42 Q N 1.731 121.436 119.800 -0.158 0.000 2.364 42 Q HA 0.029 4.369 4.340 0.000 0.000 0.207 42 Q C 2.221 178.185 176.000 -0.061 0.000 0.970 42 Q CA 1.398 57.147 55.803 -0.090 0.000 0.888 42 Q CB 0.185 28.889 28.738 -0.056 0.000 0.951 42 Q HN 0.782 nan 8.270 nan 0.000 0.469 43 A N 0.528 123.292 122.820 -0.093 0.000 2.208 43 A HA 0.307 4.627 4.320 0.000 0.000 0.209 43 A C 0.963 178.587 177.584 0.066 0.000 1.161 43 A CA 0.322 52.302 52.037 -0.094 0.000 0.782 43 A CB -0.163 18.684 19.000 -0.254 0.000 0.816 43 A HN 0.312 nan 8.150 nan 0.000 0.477 44 A N 0.065 122.872 122.820 -0.022 0.000 2.598 44 A HA 0.211 4.531 4.320 0.000 0.000 0.239 44 A C 1.446 178.987 177.584 -0.071 0.000 1.032 44 A CA 0.843 52.826 52.037 -0.090 0.000 0.760 44 A CB 0.008 18.874 19.000 -0.224 0.000 0.946 44 A HN 0.449 nan 8.150 nan 0.000 0.512 45 S N 1.702 117.349 115.700 -0.089 0.000 2.388 45 S HA 0.076 4.547 4.470 0.000 0.000 0.223 45 S C 0.863 175.372 174.600 -0.152 0.000 1.034 45 S CA 0.391 58.545 58.200 -0.078 0.000 0.963 45 S CB -0.334 62.836 63.200 -0.050 0.000 0.827 45 S HN 0.608 nan 8.310 nan 0.000 0.481 46 L N 3.501 124.546 121.223 -0.297 0.000 2.384 46 L HA 0.159 4.499 4.340 0.000 0.000 0.258 46 L C 1.709 178.128 176.870 -0.751 0.000 1.266 46 L CA -0.100 54.383 54.840 -0.596 0.000 1.162 46 L CB -0.052 41.482 42.059 -0.877 0.000 1.375 46 L HN 0.430 nan 8.230 nan 0.000 0.420 47 T N -2.614 111.714 114.554 -0.377 0.000 2.849 47 T HA -0.206 4.144 4.350 0.000 0.000 0.270 47 T C 1.560 176.161 174.700 -0.165 0.000 1.066 47 T CA 0.819 62.792 62.100 -0.211 0.000 1.130 47 T CB -0.254 68.585 68.868 -0.049 0.000 0.864 47 T HN 0.747 nan 8.240 nan 0.000 0.481 48 W N 1.270 122.551 121.300 -0.031 0.000 2.468 48 W HA 0.291 4.951 4.660 0.000 0.000 0.262 48 W C 0.734 177.229 176.519 -0.039 0.000 1.241 48 W CA -0.628 56.700 57.345 -0.029 0.000 1.232 48 W CB -1.069 28.375 29.460 -0.026 0.000 1.124 48 W HN 0.239 nan 8.180 nan 0.000 0.597 54 S N 1.922 117.769 115.700 0.245 0.000 2.368 54 S HA 0.009 4.479 4.470 0.000 0.000 0.224 54 S C 1.718 176.449 174.600 0.219 0.000 1.029 54 S CA 1.607 59.926 58.200 0.200 0.000 0.988 54 S CB -0.487 62.776 63.200 0.106 0.000 0.838 54 S HN 0.516 nan 8.310 nan 0.000 0.462 55 L N 1.702 123.031 121.223 0.176 0.000 2.046 55 L HA -0.005 4.335 4.340 0.000 0.000 0.208 55 L C 2.019 178.998 176.870 0.181 0.000 1.077 55 L CA 1.540 56.469 54.840 0.149 0.000 0.747 55 L CB -0.847 41.283 42.059 0.117 0.000 0.896 55 L HN 0.296 nan 8.230 nan 0.000 0.432 56 L N -1.314 120.051 121.223 0.236 0.000 2.046 56 L HA -0.226 4.114 4.340 0.000 0.000 0.208 56 L C 2.429 179.512 176.870 0.355 0.000 1.077 56 L CA 1.954 56.953 54.840 0.265 0.000 0.747 56 L CB -1.030 41.166 42.059 0.230 0.000 0.896 56 L HN 0.468 nan 8.230 nan 0.000 0.432 57 Y N -0.312 120.191 120.300 0.338 0.000 2.224 57 Y HA -0.268 4.282 4.550 0.000 0.000 0.289 57 Y C 2.505 178.434 175.900 0.048 0.000 1.146 57 Y CA 1.938 60.119 58.100 0.135 0.000 1.182 57 Y CB -0.041 38.355 38.460 -0.108 0.000 0.983 57 Y HN 0.335 nan 8.280 nan 0.000 0.524 58 Q N -0.432 119.449 119.800 0.135 0.000 2.016 58 Q HA -0.174 4.166 4.340 0.000 0.000 0.200 58 Q C 2.320 178.300 176.000 -0.034 0.000 0.978 58 Q CA 1.266 57.088 55.803 0.032 0.000 0.833 58 Q CB -0.851 27.938 28.738 0.085 0.000 0.895 58 Q HN 0.447 nan 8.270 nan 0.000 0.427 59 L N 0.942 122.180 121.223 0.026 0.000 2.043 59 L HA -0.194 4.146 4.340 0.000 0.000 0.212 59 L C 2.200 179.063 176.870 -0.012 0.000 1.075 59 L CA 1.607 56.460 54.840 0.021 0.000 0.752 59 L CB -0.741 41.358 42.059 0.066 0.000 0.891 59 L HN 0.178 nan 8.230 nan 0.000 0.432 60 I N -2.169 118.393 120.570 -0.013 0.000 2.277 60 I HA -0.229 3.941 4.170 0.000 0.000 0.243 60 I C 2.362 178.382 176.117 -0.162 0.000 1.094 60 I CA 0.995 62.282 61.300 -0.021 0.000 1.393 60 I CB -0.355 37.687 38.000 0.071 0.000 1.078 60 I HN 0.099 nan 8.210 nan 0.000 0.417 61 S N 0.336 115.835 115.700 -0.335 0.000 2.400 61 S HA -0.194 4.276 4.470 0.000 0.000 0.232 61 S C 2.082 176.558 174.600 -0.206 0.000 1.025 61 S CA 2.052 60.030 58.200 -0.371 0.000 0.993 61 S CB -0.485 62.370 63.200 -0.575 0.000 0.808 61 S HN 0.653 nan 8.310 nan 0.000 0.478 62 T N -0.402 114.060 114.554 -0.153 0.000 3.072 62 T HA 0.069 4.419 4.350 0.000 0.000 0.266 62 T C 1.343 175.969 174.700 -0.123 0.000 1.127 62 T CA 0.543 62.577 62.100 -0.109 0.000 1.107 62 T CB -0.096 68.730 68.868 -0.070 0.000 0.910 62 T HN 0.088 nan 8.240 nan 0.000 0.513 63 R N 0.688 121.088 120.500 -0.166 0.000 2.466 63 R HA 0.443 4.783 4.340 0.000 0.000 0.279 63 R C -0.170 176.014 176.300 -0.192 0.000 0.976 63 R CA -0.101 55.860 56.100 -0.231 0.000 1.081 63 R CB -0.056 29.972 30.300 -0.454 0.000 1.215 63 R HN 0.520 nan 8.270 nan 0.000 0.546 64 I N 2.501 122.980 120.570 -0.151 0.000 2.420 64 I HA 0.275 4.445 4.170 0.000 0.000 0.282 64 I C -2.267 173.717 176.117 -0.222 0.000 1.019 64 I CA -2.244 58.977 61.300 -0.132 0.000 1.130 64 I CB 1.865 39.830 38.000 -0.059 0.000 1.262 64 I HN -0.327 nan 8.210 nan 0.000 0.454 65 P HA 0.106 nan 4.420 nan 0.000 0.266 65 P C 0.737 177.671 177.300 -0.609 0.000 1.195 65 P CA 0.106 62.853 63.100 -0.589 0.000 0.768 65 P CB 0.735 31.672 31.700 -1.272 0.000 0.838 66 S N 1.735 117.232 115.700 -0.338 0.000 2.420 66 S HA -0.189 4.281 4.470 0.000 0.000 0.237 66 S C 1.398 175.892 174.600 -0.177 0.000 1.023 66 S CA 1.539 59.631 58.200 -0.179 0.000 0.991 66 S CB -0.966 62.212 63.200 -0.037 0.000 0.792 66 S HN 0.670 nan 8.310 nan 0.000 0.488 67 F N 1.150 121.013 119.950 -0.146 0.000 2.407 67 F HA 0.379 4.906 4.527 0.000 0.000 0.299 67 F C 2.136 177.689 175.800 -0.412 0.000 1.097 67 F CA 0.183 58.045 58.000 -0.229 0.000 1.422 67 F CB -0.826 38.032 39.000 -0.237 0.000 1.067 67 F HN 0.133 nan 8.300 nan 0.000 0.539 68 A N -0.512 121.850 122.820 -0.763 0.000 1.898 68 A HA 0.090 4.410 4.320 0.000 0.000 0.214 68 A C 1.529 179.131 177.584 0.030 0.000 1.183 68 A CA 1.114 52.933 52.037 -0.364 0.000 0.622 68 A CB -0.677 18.151 19.000 -0.287 0.000 0.824 68 A HN 0.294 nan 8.150 nan 0.000 0.444 69 S N -0.375 115.266 115.700 -0.098 0.000 2.130 69 S HA 0.459 4.929 4.470 0.000 0.000 0.165 69 S C -2.099 172.433 174.600 -0.114 0.000 1.677 69 S CA -1.356 56.767 58.200 -0.129 0.000 1.227 69 S CB 0.564 63.616 63.200 -0.247 0.000 1.115 69 S HN 0.107 nan 8.310 nan 0.000 0.452 70 P HA -0.081 nan 4.420 nan 0.000 0.215 70 P C 0.312 177.587 177.300 -0.043 0.000 1.157 70 P CA 1.483 64.562 63.100 -0.035 0.000 0.874 70 P CB 0.018 31.717 31.700 -0.002 0.000 0.790 71 N N -1.461 117.208 118.700 -0.051 0.000 2.270 71 N HA 0.317 5.057 4.740 0.000 0.000 0.198 71 N C 0.646 176.123 175.510 -0.055 0.000 1.117 71 N CA 0.500 53.524 53.050 -0.044 0.000 0.845 71 N CB 0.262 38.732 38.487 -0.029 0.000 0.980 71 N HN 0.142 nan 8.380 nan 0.000 0.486 72 G N 0.538 109.286 108.800 -0.088 0.000 2.796 72 G HA2 -0.242 3.718 3.960 0.000 0.000 0.571 72 G HA3 -0.242 3.718 3.960 0.000 0.000 0.571 72 G C -0.583 174.232 174.900 -0.142 0.000 1.370 72 G CA -0.941 44.108 45.100 -0.085 0.000 0.856 72 G HN 0.122 nan 8.290 nan 0.000 0.538 73 L N 1.475 122.623 121.223 -0.125 0.000 2.453 73 L HA 0.301 4.641 4.340 0.000 0.000 0.272 73 L C 1.315 178.125 176.870 -0.101 0.000 1.182 73 L CA -0.476 54.260 54.840 -0.173 0.000 0.858 73 L CB 0.693 42.674 42.059 -0.131 0.000 1.120 73 L HN 0.766 nan 8.230 nan 0.000 0.474 77 E N 1.420 121.691 120.200 0.118 0.000 2.244 77 E HA 0.291 4.641 4.350 0.000 0.000 0.266 77 E C -0.708 175.988 176.600 0.160 0.000 0.914 77 E CA -0.717 55.739 56.400 0.094 0.000 0.794 77 E CB 1.762 31.508 29.700 0.076 0.000 1.210 77 E HN 0.492 nan 8.360 nan 0.000 0.414 78 Q N -0.534 119.295 119.800 0.048 0.000 2.503 78 Q HA -0.244 4.096 4.340 0.000 0.000 0.267 78 Q C 0.978 176.785 176.000 -0.321 0.000 1.030 78 Q CA 0.923 56.700 55.803 -0.042 0.000 1.041 78 Q CB -2.172 26.604 28.738 0.063 0.000 1.406 78 Q HN 0.824 nan 8.270 nan 0.000 0.524 79 T N -2.438 112.009 114.554 -0.178 0.000 2.995 79 T HA 0.129 4.479 4.350 0.000 0.000 0.269 79 T C 0.720 175.334 174.700 -0.144 0.000 1.091 79 T CA 0.776 62.763 62.100 -0.188 0.000 1.128 79 T CB 0.222 69.099 68.868 0.015 0.000 0.891 79 T HN 0.360 nan 8.240 nan 0.000 0.492 80 I N 1.663 122.170 120.570 -0.105 0.000 2.436 80 I HA 0.327 4.497 4.170 0.000 0.000 0.289 80 I C -0.850 175.229 176.117 -0.063 0.000 1.010 80 I CA -1.124 60.138 61.300 -0.063 0.000 1.098 80 I CB 1.948 39.928 38.000 -0.033 0.000 1.266 80 I HN -0.039 nan 8.210 nan 0.000 0.434 81 D N 3.769 124.137 120.400 -0.052 0.000 2.401 81 D HA 0.042 4.682 4.640 0.000 0.000 0.254 81 D C 1.113 177.398 176.300 -0.024 0.000 1.192 81 D CA 0.305 54.282 54.000 -0.038 0.000 0.885 81 D CB 1.129 41.911 40.800 -0.030 0.000 1.147 81 D HN 0.520 nan 8.370 nan 0.000 0.478 82 S N 3.530 119.218 115.700 -0.019 0.000 2.423 82 S HA -0.146 4.324 4.470 0.000 0.000 0.231 82 S C 1.548 176.143 174.600 -0.010 0.000 1.014 82 S CA 0.334 58.526 58.200 -0.013 0.000 0.965 82 S CB -0.074 63.120 63.200 -0.010 0.000 0.785 82 S HN 0.514 nan 8.310 nan 0.000 0.495 83 N N 1.688 120.383 118.700 -0.009 0.000 2.188 83 N HA -0.061 4.679 4.740 0.000 0.000 0.184 83 N C 2.022 177.527 175.510 -0.008 0.000 1.018 83 N CA 1.998 55.043 53.050 -0.008 0.000 0.858 83 N CB -0.482 38.001 38.487 -0.006 0.000 0.989 83 N HN 0.776 nan 8.380 nan 0.000 0.426 84 T N -4.427 110.120 114.554 -0.011 0.000 3.034 84 T HA 0.324 4.674 4.350 0.000 0.000 0.248 84 T C 1.457 176.151 174.700 -0.011 0.000 1.040 84 T CA 0.976 63.069 62.100 -0.012 0.000 1.107 84 T CB 0.569 69.429 68.868 -0.015 0.000 0.932 84 T HN 0.236 nan 8.240 nan 0.000 0.474 85 G N 1.256 110.049 108.800 -0.011 0.000 2.195 85 G HA2 -0.219 3.741 3.960 0.000 0.000 0.246 85 G HA3 -0.219 3.741 3.960 0.000 0.000 0.246 85 G C -0.021 174.875 174.900 -0.007 0.000 0.984 85 G CA 0.087 45.182 45.100 -0.008 0.000 0.633 85 G HN 0.713 nan 8.290 nan 0.000 0.525 86 Q N 0.174 119.967 119.800 -0.013 0.000 2.368 86 Q HA 0.510 4.850 4.340 0.000 0.000 0.237 86 Q C 0.603 176.596 176.000 -0.013 0.000 0.987 86 Q CA -0.727 55.067 55.803 -0.014 0.000 0.896 86 Q CB 1.079 29.802 28.738 -0.025 0.000 1.241 86 Q HN 0.238 nan 8.270 nan 0.000 0.485 87 I N 2.055 122.626 120.570 0.001 0.000 2.683 87 I HA -0.085 4.085 4.170 0.000 0.000 0.286 87 I C 0.468 176.585 176.117 -0.001 0.000 1.175 87 I CA 0.272 61.586 61.300 0.023 0.000 1.429 87 I CB 0.023 38.084 38.000 0.102 0.000 1.371 87 I HN 0.598 nan 8.210 nan 0.000 0.569 88 Q N 6.576 126.358 119.800 -0.030 0.000 2.307 88 Q HA 0.305 4.645 4.340 0.000 0.000 0.261 88 Q C -0.784 175.233 176.000 0.028 0.000 1.051 88 Q CA 0.467 56.233 55.803 -0.063 0.000 0.911 88 Q CB 0.189 28.779 28.738 -0.248 0.000 1.227 88 Q HN 0.486 nan 8.270 nan 0.000 0.418 89 I N 5.259 125.795 120.570 -0.057 0.000 2.412 89 I HA 0.321 4.491 4.170 0.000 0.000 0.279 89 I C -0.899 175.152 176.117 -0.110 0.000 1.063 89 I CA -0.620 60.506 61.300 -0.290 0.000 1.193 89 I CB 0.380 38.073 38.000 -0.512 0.000 1.370 89 I HN 0.647 nan 8.210 nan 0.000 0.479 90 D N 2.472 122.978 120.400 0.177 0.000 2.583 90 D HA 0.235 4.875 4.640 0.000 0.000 0.248 90 D C 0.309 176.779 176.300 0.284 0.000 1.209 90 D CA -0.794 53.316 54.000 0.182 0.000 0.848 90 D CB 0.548 41.438 40.800 0.150 0.000 1.431 90 D HN -0.063 nan 8.370 nan 0.000 0.436 91 N N 0.172 118.918 118.700 0.078 0.000 2.132 91 N HA -0.203 4.537 4.740 0.000 0.000 0.191 91 N C 1.282 176.806 175.510 0.023 0.000 1.015 91 N CA 1.520 54.523 53.050 -0.078 0.000 0.864 91 N CB -0.204 37.874 38.487 -0.681 0.000 1.006 91 N HN 0.695 nan 8.380 nan 0.000 0.430 92 E N 0.138 120.337 120.200 -0.002 0.000 2.153 92 E HA -0.142 4.208 4.350 0.000 0.000 0.194 92 E C 0.664 177.131 176.600 -0.222 0.000 0.988 92 E CA 1.418 57.761 56.400 -0.096 0.000 0.811 92 E CB -0.088 29.546 29.700 -0.110 0.000 0.746 92 E HN 0.573 nan 8.360 nan 0.000 0.466 93 H N -1.411 117.771 119.070 0.187 0.000 2.594 93 H HA 0.317 4.873 4.556 0.000 0.000 0.279 93 H C -0.068 175.357 175.328 0.163 0.000 1.042 93 H CA -0.251 55.922 56.048 0.209 0.000 1.177 93 H CB 0.311 30.224 29.762 0.253 0.000 1.524 93 H HN -0.116 nan 8.280 nan 0.000 0.537 94 R N 1.843 122.445 120.500 0.170 0.000 2.296 94 R HA 0.225 4.565 4.340 0.000 0.000 0.323 94 R C -0.992 175.209 176.300 -0.165 0.000 1.067 94 R CA -0.079 55.887 56.100 -0.223 0.000 0.946 94 R CB 0.058 30.384 30.300 0.045 0.000 0.991 94 R HN 0.193 nan 8.270 nan 0.000 0.448 95 L N 5.560 126.605 121.223 -0.297 0.000 2.330 95 L HA 0.577 4.917 4.340 0.000 0.000 0.271 95 L C -0.496 176.272 176.870 -0.171 0.000 1.013 95 L CA -1.080 53.682 54.840 -0.130 0.000 0.816 95 L CB 1.654 43.695 42.059 -0.030 0.000 1.287 95 L HN 0.500 nan 8.230 nan 0.000 0.435 96 L N 1.715 122.871 121.223 -0.111 0.000 2.371 96 L HA 0.682 5.022 4.340 0.000 0.000 0.262 96 L C -0.659 176.131 176.870 -0.133 0.000 1.006 96 L CA -0.685 54.060 54.840 -0.157 0.000 0.818 96 L CB 2.458 44.401 42.059 -0.194 0.000 1.354 96 L HN 0.546 nan 8.230 nan 0.000 0.415 97 R N 1.126 121.531 120.500 -0.159 0.000 2.515 97 R HA 0.354 4.694 4.340 0.000 0.000 0.291 97 R C -2.079 174.220 176.300 -0.001 0.000 1.046 97 R CA -0.473 55.558 56.100 -0.115 0.000 0.914 97 R CB 1.297 31.377 30.300 -0.368 0.000 1.191 97 R HN 0.515 nan 8.270 nan 0.000 0.435 98 W N 3.818 125.226 121.300 0.179 0.000 2.322 98 W HA 0.343 5.003 4.660 0.000 0.000 0.307 98 W C 0.113 176.799 176.519 0.279 0.000 1.220 98 W CA 0.145 57.641 57.345 0.251 0.000 1.210 98 W CB 1.036 30.634 29.460 0.231 0.000 1.223 98 W HN 0.320 nan 8.180 nan 0.000 0.511 99 D N 1.720 122.495 120.400 0.625 0.000 2.837 99 D HA 0.213 4.854 4.640 0.000 0.000 0.220 99 D C 0.676 177.347 176.300 0.618 0.000 1.236 99 D CA -0.532 53.806 54.000 0.564 0.000 0.838 99 D CB 1.843 42.984 40.800 0.568 0.000 1.647 99 D HN 0.289 nan 8.370 nan 0.000 0.486 100 R N 1.348 122.164 120.500 0.527 0.000 2.275 100 R HA 0.116 4.456 4.340 0.000 0.000 0.199 100 R C 0.429 176.988 176.300 0.431 0.000 0.989 100 R CA 0.153 56.544 56.100 0.484 0.000 1.016 100 R CB 0.239 30.777 30.300 0.396 0.000 0.918 100 R HN 0.192 nan 8.270 nan 0.000 0.473 101 R N 1.991 122.696 120.500 0.341 0.000 2.438 101 R HA 0.168 4.508 4.340 0.000 0.000 0.287 101 R C -2.124 174.059 176.300 -0.196 0.000 1.077 101 R CA -1.471 54.687 56.100 0.096 0.000 1.034 101 R CB 0.351 30.699 30.300 0.080 0.000 0.993 101 R HN -0.002 nan 8.270 nan 0.000 0.459 102 P HA 0.180 nan 4.420 nan 0.000 0.278 102 P C -2.244 174.570 177.300 -0.810 0.000 1.266 102 P CA -1.840 60.709 63.100 -0.919 0.000 0.807 102 P CB 0.704 32.123 31.700 -0.468 0.000 1.094 103 P HA -0.181 nan 4.420 nan 0.000 0.216 103 P C 1.099 177.873 177.300 -0.876 0.000 1.150 103 P CA 1.585 63.849 63.100 -1.394 0.000 0.843 103 P CB -0.328 30.200 31.700 -1.953 0.000 0.787 104 N N -0.724 117.776 118.700 -0.333 0.000 2.364 104 N HA -0.141 4.599 4.740 0.000 0.000 0.183 104 N C 1.449 176.953 175.510 -0.009 0.000 1.022 104 N CA 1.128 54.249 53.050 0.119 0.000 0.883 104 N CB -0.703 37.854 38.487 0.116 0.000 0.965 104 N HN 0.238 nan 8.380 nan 0.000 0.438 105 D N 0.112 120.389 120.400 -0.205 0.000 2.394 105 D HA 0.037 4.677 4.640 0.000 0.000 0.237 105 D C 1.910 178.017 176.300 -0.320 0.000 1.028 105 D CA 0.208 54.093 54.000 -0.190 0.000 0.937 105 D CB 0.019 40.714 40.800 -0.175 0.000 1.072 105 D HN -0.138 nan 8.370 nan 0.000 0.457 106 I N 0.955 121.215 120.570 -0.518 0.000 2.163 106 I HA -0.218 3.952 4.170 0.000 0.000 0.243 106 I C 2.194 177.961 176.117 -0.584 0.000 1.085 106 I CA 0.921 61.780 61.300 -0.734 0.000 1.347 106 I CB -1.331 35.953 38.000 -1.193 0.000 1.044 106 I HN 0.065 nan 8.210 nan 0.000 0.408 107 F N 0.238 119.675 119.950 -0.855 0.000 2.604 107 F HA -0.069 4.458 4.527 0.000 0.000 0.298 107 F C 2.205 177.532 175.800 -0.789 0.000 1.131 107 F CA 0.436 57.811 58.000 -1.041 0.000 1.457 107 F CB -0.968 36.859 39.000 -1.956 0.000 1.095 107 F HN 0.071 nan 8.300 nan 0.000 0.574 108 L N -0.154 120.890 121.223 -0.298 0.000 2.221 108 L HA 0.125 4.465 4.340 0.000 0.000 0.202 108 L C 1.705 178.542 176.870 -0.056 0.000 1.074 108 L CA 1.580 56.430 54.840 0.016 0.000 0.795 108 L CB -0.440 41.723 42.059 0.175 0.000 0.960 108 L HN -0.139 nan 8.230 nan 0.000 0.458 109 N N -0.209 118.407 118.700 -0.141 0.000 2.294 109 N HA 0.243 4.983 4.740 0.000 0.000 0.186 109 N C 0.941 176.335 175.510 -0.194 0.000 1.107 109 N CA 0.848 53.819 53.050 -0.132 0.000 0.884 109 N CB 0.701 39.121 38.487 -0.111 0.000 1.030 109 N HN 0.427 nan 8.380 nan 0.000 0.482 110 G N 1.304 109.903 108.800 -0.334 0.000 2.593 110 G HA2 -0.268 3.692 3.960 0.000 0.000 0.237 110 G HA3 -0.268 3.692 3.960 0.000 0.000 0.237 110 G C -1.044 173.517 174.900 -0.564 0.000 1.312 110 G CA -0.595 44.239 45.100 -0.442 0.000 0.896 110 G HN 0.135 nan 8.290 nan 0.000 0.574 111 F N 0.738 120.604 119.950 -0.141 0.000 2.313 111 F HA 0.604 5.131 4.527 0.000 0.000 0.369 111 F C 1.022 176.772 175.800 -0.084 0.000 1.109 111 F CA -0.627 57.297 58.000 -0.128 0.000 1.132 111 F CB 0.904 39.820 39.000 -0.139 0.000 1.291 111 F HN 0.368 nan 8.300 nan 0.000 0.496 112 I N 5.493 126.113 120.570 0.083 0.000 2.396 112 I HA 0.312 4.482 4.170 0.000 0.000 0.292 112 I C -2.042 174.107 176.117 0.053 0.000 0.999 112 I CA -2.027 59.296 61.300 0.038 0.000 1.310 112 I CB 1.205 39.215 38.000 0.016 0.000 1.404 112 I HN 0.288 nan 8.210 nan 0.000 0.496 113 P HA 0.223 nan 4.420 nan 0.000 0.272 113 P C 0.159 177.466 177.300 0.011 0.000 1.240 113 P CA -0.400 62.698 63.100 -0.003 0.000 0.791 113 P CB 0.600 32.252 31.700 -0.080 0.000 0.978 114 R N -0.109 120.399 120.500 0.013 0.000 2.120 114 R HA 0.006 4.346 4.340 0.000 0.000 0.234 114 R C 0.133 176.443 176.300 0.018 0.000 1.123 114 R CA 0.863 56.976 56.100 0.022 0.000 0.975 114 R CB -0.371 29.946 30.300 0.028 0.000 0.866 114 R HN 0.274 nan 8.270 nan 0.000 0.446 115 V N 1.012 120.925 119.914 -0.002 0.000 2.370 115 V HA 0.107 4.227 4.120 0.000 0.000 0.283 115 V C 0.819 176.935 176.094 0.037 0.000 1.023 115 V CA -0.157 62.150 62.300 0.012 0.000 0.857 115 V CB 1.602 33.421 31.823 -0.007 0.000 0.985 115 V HN 0.338 nan 8.190 nan 0.000 0.443 116 T N -0.327 114.277 114.554 0.083 0.000 3.003 116 T HA 0.119 4.469 4.350 0.000 0.000 0.261 116 T C 0.515 175.369 174.700 0.258 0.000 1.003 116 T CA -0.327 61.868 62.100 0.159 0.000 0.917 116 T CB -0.073 68.866 68.868 0.118 0.000 1.084 116 T HN 0.629 nan 8.240 nan 0.000 0.522 117 N N 1.511 120.296 118.700 0.142 0.000 2.509 117 N HA 0.160 4.900 4.740 0.000 0.000 0.287 117 N C -0.600 174.886 175.510 -0.041 0.000 1.121 117 N CA -0.593 52.472 53.050 0.024 0.000 0.977 117 N CB 1.492 39.965 38.487 -0.024 0.000 1.167 117 N HN 0.335 nan 8.380 nan 0.000 0.476 118 Q N 0.694 120.254 119.800 -0.399 0.000 2.313 118 Q HA 0.064 4.404 4.340 0.000 0.000 0.266 118 Q C -1.055 174.838 176.000 -0.178 0.000 0.989 118 Q CA 0.077 55.572 55.803 -0.512 0.000 0.890 118 Q CB 0.347 28.535 28.738 -0.916 0.000 1.200 118 Q HN 0.647 nan 8.270 nan 0.000 0.396 119 N N 4.849 123.520 118.700 -0.048 0.000 2.747 119 N HA 0.102 4.842 4.740 0.000 0.000 0.262 119 N C -0.971 174.554 175.510 0.025 0.000 1.261 119 N CA -0.175 52.866 53.050 -0.014 0.000 0.809 119 N CB 0.699 39.188 38.487 0.002 0.000 1.450 119 N HN 0.725 nan 8.380 nan 0.000 0.560 120 L N 0.979 122.211 121.223 0.015 0.000 2.682 120 L HA 0.206 4.546 4.340 0.000 0.000 0.240 120 L C 0.447 177.335 176.870 0.029 0.000 1.178 120 L CA 0.204 55.065 54.840 0.036 0.000 0.970 120 L CB -0.352 41.726 42.059 0.032 0.000 1.179 120 L HN 0.255 nan 8.230 nan 0.000 0.435 121 S N 0.608 116.323 115.700 0.025 0.000 2.654 121 S HA 0.312 4.782 4.470 0.000 0.000 0.283 121 S C -1.718 172.901 174.600 0.032 0.000 1.180 121 S CA -0.928 57.286 58.200 0.024 0.000 1.021 121 S CB 1.218 64.429 63.200 0.019 0.000 1.018 121 S HN 0.030 nan 8.310 nan 0.000 0.532 122 P HA 0.056 nan 4.420 nan 0.000 0.269 122 P C 0.488 177.820 177.300 0.053 0.000 1.461 122 P CA -0.038 63.079 63.100 0.028 0.000 0.809 122 P CB -0.941 30.766 31.700 0.012 0.000 1.503 123 V N -2.192 117.757 119.914 0.059 0.000 3.923 123 V HA 0.024 4.144 4.120 0.000 0.000 0.292 123 V C 1.745 177.911 176.094 0.120 0.000 1.070 123 V CA 0.231 62.577 62.300 0.075 0.000 1.103 123 V CB -0.080 31.776 31.823 0.054 0.000 1.175 123 V HN -0.105 nan 8.190 nan 0.000 0.471 124 E N 0.143 120.419 120.200 0.127 0.000 2.338 124 E HA -0.136 4.214 4.350 0.000 0.000 0.197 124 E C 1.691 178.391 176.600 0.167 0.000 1.007 124 E CA 1.175 57.678 56.400 0.173 0.000 0.849 124 E CB -0.454 29.314 29.700 0.112 0.000 0.774 124 E HN 0.839 nan 8.360 nan 0.000 0.506 125 D N 0.160 120.615 120.400 0.092 0.000 2.149 125 D HA -0.155 4.486 4.640 0.000 0.000 0.194 125 D C 1.788 178.066 176.300 -0.036 0.000 1.001 125 D CA 2.176 56.188 54.000 0.020 0.000 0.849 125 D CB -0.357 40.444 40.800 0.002 0.000 0.939 125 D HN 0.334 nan 8.370 nan 0.000 0.449 126 T N -3.702 110.894 114.554 0.070 0.000 3.092 126 T HA 0.047 4.397 4.350 0.000 0.000 0.258 126 T C 0.534 175.490 174.700 0.427 0.000 1.031 126 T CA -0.455 61.726 62.100 0.135 0.000 0.925 126 T CB -0.596 68.326 68.868 0.090 0.000 1.036 126 T HN 0.218 nan 8.240 nan 0.000 0.544 127 H N 1.644 120.888 119.070 0.290 0.000 3.330 127 H HA 0.288 4.844 4.556 0.000 0.000 0.260 127 H C 1.374 176.883 175.328 0.302 0.000 1.439 127 H CA -0.822 55.373 56.048 0.246 0.000 1.540 127 H CB 0.080 29.934 29.762 0.155 0.000 1.698 127 H HN 0.077 nan 8.280 nan 0.000 0.516 128 L N 4.101 125.571 121.223 0.412 0.000 2.013 128 L HA -0.232 4.108 4.340 0.000 0.000 0.212 128 L C 1.627 178.586 176.870 0.149 0.000 1.073 128 L CA 1.692 56.562 54.840 0.050 0.000 0.753 128 L CB -0.435 41.534 42.059 -0.150 0.000 0.890 128 L HN 0.679 nan 8.230 nan 0.000 0.432 129 L N -0.795 120.565 121.223 0.228 0.000 2.056 129 L HA -0.199 4.141 4.340 0.000 0.000 0.207 129 L C 2.221 179.078 176.870 -0.022 0.000 1.078 129 L CA 1.186 56.039 54.840 0.022 0.000 0.749 129 L CB -0.593 41.476 42.059 0.018 0.000 0.901 129 L HN 0.353 nan 8.230 nan 0.000 0.433 130 N N -0.873 117.764 118.700 -0.105 0.000 2.244 130 N HA -0.226 4.514 4.740 0.000 0.000 0.183 130 N C 1.624 177.116 175.510 -0.030 0.000 1.016 130 N CA 1.015 53.925 53.050 -0.234 0.000 0.866 130 N CB -0.331 37.806 38.487 -0.582 0.000 0.980 130 N HN 0.355 nan 8.380 nan 0.000 0.430 131 Y N 1.222 121.517 120.300 -0.008 0.000 2.163 131 Y HA -0.039 4.511 4.550 0.000 0.000 0.288 131 Y C 1.823 177.749 175.900 0.044 0.000 1.136 131 Y CA 1.349 59.476 58.100 0.045 0.000 1.147 131 Y CB -0.479 38.083 38.460 0.171 0.000 0.987 131 Y HN -0.026 nan 8.280 nan 0.000 0.509 132 L N 0.048 121.135 121.223 -0.226 0.000 2.093 132 L HA -0.129 4.211 4.340 0.000 0.000 0.208 132 L C 2.769 179.722 176.870 0.138 0.000 1.085 132 L CA 1.675 56.385 54.840 -0.216 0.000 0.755 132 L CB -0.488 41.507 42.059 -0.108 0.000 0.904 132 L HN 0.136 nan 8.230 nan 0.000 0.435 133 R N -0.331 120.244 120.500 0.125 0.000 2.127 133 R HA -0.092 4.248 4.340 0.000 0.000 0.217 133 R C 2.093 178.672 176.300 0.465 0.000 1.074 133 R CA 1.663 57.951 56.100 0.314 0.000 0.991 133 R CB 0.132 30.447 30.300 0.026 0.000 0.895 133 R HN 0.434 nan 8.270 nan 0.000 0.450 134 T N -3.855 110.769 114.554 0.116 0.000 2.959 134 T HA 0.108 4.458 4.350 0.000 0.000 0.254 134 T C 0.429 174.749 174.700 -0.634 0.000 1.003 134 T CA 0.271 62.311 62.100 -0.101 0.000 0.950 134 T CB 0.257 69.079 68.868 -0.076 0.000 1.090 134 T HN 0.280 nan 8.240 nan 0.000 0.503 135 N N 1.540 119.842 118.700 -0.664 0.000 2.818 135 N HA -0.161 4.579 4.740 0.000 0.000 0.250 135 N C -0.144 175.212 175.510 -0.255 0.000 1.108 135 N CA 0.765 53.396 53.050 -0.698 0.000 0.745 135 N CB -1.829 35.883 38.487 -1.293 0.000 1.104 135 N HN 0.874 nan 8.380 nan 0.000 0.557 136 S N -0.884 114.757 115.700 -0.099 0.000 2.573 136 S HA 0.468 4.938 4.470 0.000 0.000 0.277 136 S C -2.320 172.353 174.600 0.122 0.000 1.346 136 S CA -0.980 57.224 58.200 0.007 0.000 1.034 136 S CB 0.885 64.098 63.200 0.021 0.000 0.879 136 S HN 0.149 nan 8.310 nan 0.000 0.528 137 P HA 0.242 nan 4.420 nan 0.000 0.268 137 P C -0.240 177.112 177.300 0.087 0.000 1.204 137 P CA 0.011 63.160 63.100 0.082 0.000 0.768 137 P CB 0.719 32.444 31.700 0.042 0.000 0.842 138 S N 1.658 117.381 115.700 0.039 0.000 2.727 138 S HA 0.405 4.875 4.470 0.000 0.000 0.278 138 S C 0.662 175.124 174.600 -0.230 0.000 1.186 138 S CA -0.759 57.395 58.200 -0.077 0.000 0.836 138 S CB 0.260 63.457 63.200 -0.005 0.000 1.186 138 S HN 0.340 nan 8.310 nan 0.000 0.499 139 I N -1.319 118.955 120.570 -0.492 0.000 3.684 139 I HA 0.439 4.609 4.170 0.000 0.000 0.304 139 I C -0.713 175.048 176.117 -0.592 0.000 1.278 139 I CA -0.230 60.767 61.300 -0.505 0.000 1.272 139 I CB -0.496 37.179 38.000 -0.541 0.000 1.029 139 I HN 0.280 nan 8.210 nan 0.000 0.458 140 F N 1.186 120.936 119.950 -0.334 0.000 2.377 140 F HA 0.609 5.136 4.527 0.000 0.000 0.328 140 F C 0.220 175.856 175.800 -0.274 0.000 1.094 140 F CA -0.949 56.811 58.000 -0.400 0.000 1.093 140 F CB 1.226 39.736 39.000 -0.816 0.000 1.214 140 F HN -0.346 nan 8.300 nan 0.000 0.518 141 V N 1.861 121.855 119.914 0.133 0.000 2.525 141 V HA 0.343 4.463 4.120 0.000 0.000 0.299 141 V C -0.506 175.724 176.094 0.227 0.000 1.034 141 V CA -0.820 61.565 62.300 0.141 0.000 0.863 141 V CB 1.722 33.592 31.823 0.078 0.000 0.999 141 V HN 0.838 nan 8.190 nan 0.000 0.423 142 S N 3.202 119.023 115.700 0.201 0.000 2.632 142 S HA 0.798 5.268 4.470 0.000 0.000 0.271 142 S C 0.231 174.857 174.600 0.044 0.000 1.260 142 S CA -0.475 57.822 58.200 0.162 0.000 1.010 142 S CB 1.626 64.890 63.200 0.107 0.000 0.965 142 S HN 1.001 nan 8.310 nan 0.000 0.534 143 T N -1.586 113.011 114.554 0.072 0.000 2.843 143 T HA 0.703 5.053 4.350 0.000 0.000 0.302 143 T C -0.695 174.009 174.700 0.007 0.000 1.232 143 T CA -0.767 61.344 62.100 0.020 0.000 1.009 143 T CB 1.779 70.699 68.868 0.087 0.000 1.254 143 T HN 0.489 nan 8.240 nan 0.000 0.504 144 T N 0.045 114.599 114.554 0.001 0.000 2.907 144 T HA 0.567 4.917 4.350 0.000 0.000 0.292 144 T C -0.664 174.056 174.700 0.034 0.000 1.043 144 T CA -0.851 61.248 62.100 -0.001 0.000 1.003 144 T CB 1.138 70.017 68.868 0.019 0.000 1.084 144 T HN 0.720 nan 8.240 nan 0.000 0.483 145 R N 1.896 122.421 120.500 0.043 0.000 2.490 145 R HA 0.580 4.920 4.340 0.000 0.000 0.280 145 R C 0.408 176.739 176.300 0.052 0.000 1.077 145 R CA -0.543 55.587 56.100 0.050 0.000 1.065 145 R CB 0.535 30.869 30.300 0.057 0.000 1.003 145 R HN 0.714 nan 8.270 nan 0.000 0.470 146 A N 3.376 126.222 122.820 0.044 0.000 2.445 146 A HA 0.160 4.480 4.320 0.000 0.000 0.242 146 A C -0.002 177.552 177.584 -0.049 0.000 1.075 146 A CA -0.033 51.995 52.037 -0.014 0.000 0.777 146 A CB 0.350 19.380 19.000 0.050 0.000 1.013 146 A HN 0.684 nan 8.150 nan 0.000 0.493 147 R N 0.347 120.698 120.500 -0.248 0.000 2.514 147 R HA 0.578 4.919 4.340 0.000 0.000 0.301 147 R C -1.717 174.272 176.300 -0.517 0.000 0.962 147 R CA -0.241 55.743 56.100 -0.193 0.000 0.882 147 R CB 1.495 31.758 30.300 -0.061 0.000 1.143 147 R HN 0.750 nan 8.270 nan 0.000 0.452 148 Y N 0.734 121.065 120.300 0.052 0.000 2.545 148 Y HA 0.239 4.789 4.550 0.000 0.000 0.348 148 Y C 0.383 176.308 175.900 0.042 0.000 1.002 148 Y CA -1.136 56.994 58.100 0.049 0.000 1.039 148 Y CB 1.449 39.938 38.460 0.048 0.000 1.271 148 Y HN 0.671 nan 8.280 nan 0.000 0.467 149 N N -0.080 118.729 118.700 0.182 0.000 2.431 149 N HA 0.096 4.836 4.740 0.000 0.000 0.289 149 N C 0.114 175.695 175.510 0.117 0.000 1.277 149 N CA -0.326 52.793 53.050 0.116 0.000 0.972 149 N CB 0.239 38.775 38.487 0.080 0.000 1.143 149 N HN 0.520 nan 8.380 nan 0.000 0.578 150 N N -0.800 117.947 118.700 0.079 0.000 2.459 150 N HA 0.028 4.768 4.740 0.000 0.000 0.181 150 N C 1.057 176.602 175.510 0.058 0.000 1.046 150 N CA 0.483 53.571 53.050 0.063 0.000 0.904 150 N CB -0.273 38.242 38.487 0.046 0.000 0.964 150 N HN 0.500 nan 8.380 nan 0.000 0.444 151 L N -0.661 120.602 121.223 0.066 0.000 2.591 151 L HA 0.189 4.529 4.340 0.000 0.000 0.228 151 L C 1.098 178.010 176.870 0.070 0.000 1.133 151 L CA 0.104 54.979 54.840 0.059 0.000 0.880 151 L CB -0.348 41.745 42.059 0.058 0.000 1.033 151 L HN 0.136 nan 8.230 nan 0.000 0.450 152 G N 0.737 109.594 108.800 0.096 0.000 2.143 152 G HA2 -0.271 3.689 3.960 0.000 0.000 0.248 152 G HA3 -0.271 3.689 3.960 0.000 0.000 0.248 152 G C 0.127 175.159 174.900 0.219 0.000 0.991 152 G CA -0.108 45.050 45.100 0.097 0.000 0.689 152 G HN 0.246 nan 8.290 nan 0.000 0.522 153 L N 0.180 121.548 121.223 0.241 0.000 2.334 153 L HA 0.459 4.799 4.340 0.000 0.000 0.277 153 L C 0.936 177.971 176.870 0.275 0.000 1.075 153 L CA -0.748 54.239 54.840 0.245 0.000 0.804 153 L CB 1.331 43.469 42.059 0.133 0.000 1.174 153 L HN 0.268 nan 8.230 nan 0.000 0.438 154 E N 3.395 123.707 120.200 0.187 0.000 2.376 154 E HA 0.254 4.604 4.350 0.000 0.000 0.266 154 E C -0.754 175.793 176.600 -0.088 0.000 1.009 154 E CA -0.209 56.093 56.400 -0.163 0.000 0.902 154 E CB 0.789 30.393 29.700 -0.160 0.000 0.972 154 E HN 0.444 nan 8.360 nan 0.000 0.439 155 I N -0.073 120.408 120.570 -0.148 0.000 3.067 155 I HA 0.432 4.602 4.170 0.000 0.000 0.312 155 I C -0.135 175.957 176.117 -0.042 0.000 1.073 155 I CA -1.152 60.117 61.300 -0.052 0.000 1.016 155 I CB 1.767 39.756 38.000 -0.019 0.000 1.227 155 I HN 0.197 nan 8.210 nan 0.000 0.456 156 T N 4.190 118.746 114.554 0.003 0.000 2.866 156 T HA 0.138 4.488 4.350 0.000 0.000 0.293 156 T C -2.128 172.602 174.700 0.050 0.000 1.005 156 T CA -0.187 61.933 62.100 0.033 0.000 1.162 156 T CB -0.436 68.441 68.868 0.015 0.000 0.968 156 T HN 0.510 nan 8.240 nan 0.000 0.530 157 P HA 0.183 nan 4.420 nan 0.000 0.284 157 P C -0.486 176.952 177.300 0.231 0.000 1.292 157 P CA -1.109 62.098 63.100 0.179 0.000 0.800 157 P CB 0.700 32.544 31.700 0.239 0.000 1.188 158 W N 1.040 122.394 121.300 0.090 0.000 2.347 158 W HA 0.171 4.831 4.660 0.000 0.000 0.333 158 W C -0.853 175.704 176.519 0.064 0.000 1.383 158 W CA 1.204 58.566 57.345 0.028 0.000 1.283 158 W CB 0.002 29.473 29.460 0.018 0.000 1.253 158 W HN 0.165 nan 8.180 nan 0.000 0.563 159 T N 8.532 122.655 114.554 -0.718 0.000 2.876 159 T HA 0.348 4.698 4.350 0.000 0.000 0.289 159 T C -2.539 171.242 174.700 -1.532 0.000 1.014 159 T CA -1.396 60.096 62.100 -1.013 0.000 0.986 159 T CB 1.740 70.205 68.868 -0.671 0.000 1.021 159 T HN 0.129 nan 8.240 nan 0.000 0.458 160 P HA 0.229 nan 4.420 nan 0.000 0.271 160 P C 0.381 177.248 177.300 -0.721 0.000 1.218 160 P CA -0.121 62.362 63.100 -1.028 0.000 0.780 160 P CB 0.466 31.804 31.700 -0.604 0.000 0.901 161 H N 0.175 118.956 119.070 -0.481 0.000 2.421 161 H HA -0.109 4.447 4.556 0.000 0.000 0.298 161 H C 1.641 176.823 175.328 -0.244 0.000 1.087 161 H CA 1.638 57.487 56.048 -0.333 0.000 1.330 161 H CB 0.056 29.678 29.762 -0.232 0.000 1.388 161 H HN 0.426 nan 8.280 nan 0.000 0.526 162 S N 0.094 115.747 115.700 -0.079 0.000 2.631 162 S HA 0.221 4.691 4.470 0.000 0.000 0.217 162 S C 2.075 176.604 174.600 -0.119 0.000 0.958 162 S CA 0.137 58.308 58.200 -0.048 0.000 0.920 162 S CB 0.285 63.514 63.200 0.048 0.000 0.776 162 S HN 0.431 nan 8.310 nan 0.000 0.517 163 A N 2.814 125.473 122.820 -0.267 0.000 1.986 163 A HA -0.154 4.166 4.320 0.000 0.000 0.220 163 A C 1.971 179.427 177.584 -0.215 0.000 1.171 163 A CA 1.727 53.555 52.037 -0.347 0.000 0.640 163 A CB -0.981 17.589 19.000 -0.717 0.000 0.811 163 A HN 0.747 nan 8.150 nan 0.000 0.451 164 N N -0.509 118.093 118.700 -0.162 0.000 2.461 164 N HA -0.006 4.734 4.740 0.000 0.000 0.188 164 N C -0.649 174.837 175.510 -0.040 0.000 1.134 164 N CA -0.131 52.863 53.050 -0.093 0.000 0.878 164 N CB 0.003 38.438 38.487 -0.087 0.000 0.972 164 N HN 0.587 nan 8.380 nan 0.000 0.456 165 N N 0.834 119.513 118.700 -0.036 0.000 2.419 165 N HA 0.237 4.977 4.740 0.000 0.000 0.277 165 N C -0.506 175.008 175.510 0.007 0.000 1.006 165 N CA -0.528 52.516 53.050 -0.010 0.000 0.923 165 N CB 1.043 39.526 38.487 -0.006 0.000 1.140 165 N HN 0.090 nan 8.380 nan 0.000 0.488 166 N N 0.298 119.000 118.700 0.004 0.000 1.220 166 N HA -0.261 4.479 4.740 0.000 0.000 0.114 166 N C -1.018 174.489 175.510 -0.006 0.000 0.835 166 N CA 0.895 53.938 53.050 -0.012 0.000 0.863 166 N CB -0.472 38.009 38.487 -0.009 0.000 0.992 166 N HN 0.395 nan 8.380 nan 0.000 0.632 167 I N 0.969 121.522 120.570 -0.028 0.000 2.339 167 I HA 0.571 4.741 4.170 0.000 0.000 0.290 167 I C -0.427 175.708 176.117 0.030 0.000 0.994 167 I CA -0.353 60.927 61.300 -0.033 0.000 1.191 167 I CB 1.011 38.940 38.000 -0.118 0.000 1.343 167 I HN 0.322 nan 8.210 nan 0.000 0.458 168 I N 5.704 126.289 120.570 0.026 0.000 2.894 168 I HA 0.455 4.625 4.170 0.000 0.000 0.302 168 I C -1.535 174.608 176.117 0.043 0.000 1.188 168 I CA -0.557 60.839 61.300 0.159 0.000 1.014 168 I CB 2.530 40.695 38.000 0.276 0.000 1.242 168 I HN 0.359 nan 8.210 nan 0.000 0.430 169 Y N 4.669 125.190 120.300 0.368 0.000 2.468 169 Y HA 0.564 5.114 4.550 0.000 0.000 0.342 169 Y C -0.153 175.804 175.900 0.095 0.000 1.021 169 Y CA -0.676 57.511 58.100 0.145 0.000 1.079 169 Y CB 1.613 39.976 38.460 -0.162 0.000 1.226 169 Y HN 0.334 nan 8.280 nan 0.000 0.460 170 R N 3.059 123.535 120.500 -0.040 0.000 2.310 170 R HA 0.351 4.691 4.340 0.000 0.000 0.316 170 R C -1.781 174.289 176.300 -0.383 0.000 1.004 170 R CA -0.584 55.254 56.100 -0.437 0.000 0.900 170 R CB 0.339 30.201 30.300 -0.730 0.000 1.152 170 R HN 0.715 nan 8.270 nan 0.000 0.513 171 Y N 1.487 121.718 120.300 -0.114 0.000 2.309 171 Y HA 0.108 4.658 4.550 0.000 0.000 0.327 171 Y C 0.632 176.449 175.900 -0.140 0.000 1.172 171 Y CA 0.032 58.119 58.100 -0.022 0.000 1.280 171 Y CB 0.979 39.582 38.460 0.238 0.000 1.234 171 Y HN 0.434 nan 8.280 nan 0.000 0.512 172 E N 4.150 124.347 120.200 -0.005 0.000 2.133 172 E HA 0.515 4.865 4.350 0.000 0.000 0.274 172 E C -1.494 175.042 176.600 -0.107 0.000 0.930 172 E CA -0.371 55.939 56.400 -0.149 0.000 0.770 172 E CB 0.646 30.222 29.700 -0.206 0.000 1.104 172 E HN 0.615 nan 8.360 nan 0.000 0.403 173 I N 3.927 124.362 120.570 -0.226 0.000 2.689 173 I HA 0.405 4.575 4.170 0.000 0.000 0.299 173 I C -1.110 174.785 176.117 -0.369 0.000 1.059 173 I CA -0.867 60.359 61.300 -0.123 0.000 1.055 173 I CB 1.599 39.568 38.000 -0.052 0.000 1.243 173 I HN 0.478 nan 8.210 nan 0.000 0.425 174 F N 4.213 124.317 119.950 0.256 0.000 2.716 174 F HA 0.722 5.249 4.527 0.000 0.000 0.354 174 F C 0.056 176.008 175.800 0.252 0.000 1.168 174 F CA -0.394 57.778 58.000 0.287 0.000 1.045 174 F CB 1.730 40.977 39.000 0.413 0.000 1.311 174 F HN 0.440 nan 8.300 nan 0.000 0.477 175 A N 4.015 126.945 122.820 0.184 0.000 2.469 175 A HA 0.973 5.293 4.320 0.000 0.000 0.299 175 A C -2.974 174.544 177.584 -0.109 0.000 1.098 175 A CA -1.912 49.996 52.037 -0.216 0.000 0.737 175 A CB 2.086 20.872 19.000 -0.358 0.000 1.312 175 A HN 0.275 nan 8.150 nan 0.000 0.414 176 P HA 0.485 nan 4.420 nan 0.000 0.278 176 P C 0.678 177.995 177.300 0.028 0.000 1.238 176 P CA 1.376 64.406 63.100 -0.118 0.000 0.794 176 P CB 1.192 32.777 31.700 -0.190 0.000 0.955 177 G N 1.212 110.044 108.800 0.055 0.000 2.553 177 G HA2 0.301 4.261 3.960 0.000 0.000 0.242 177 G HA3 0.301 4.261 3.960 0.000 0.000 0.242 177 G C -0.039 174.800 174.900 -0.103 0.000 1.277 177 G CA 0.383 45.508 45.100 0.041 0.000 0.910 177 G HN 1.249 nan 8.290 nan 0.000 0.576 178 G N -1.947 106.647 108.800 -0.343 0.000 2.712 178 G HA2 0.345 4.305 3.960 0.000 0.000 0.686 178 G HA3 0.345 4.305 3.960 0.000 0.000 0.686 178 G C -0.434 174.299 174.900 -0.278 0.000 1.181 178 G CA -0.016 44.575 45.100 -0.850 0.000 0.762 178 G HN 1.591 nan 8.290 nan 0.000 0.641 179 I N 1.461 121.908 120.570 -0.205 0.000 2.342 179 I HA 0.209 4.379 4.170 0.000 0.000 0.291 179 I C 0.134 176.222 176.117 -0.047 0.000 1.010 179 I CA -0.507 60.769 61.300 -0.041 0.000 1.308 179 I CB 1.501 39.514 38.000 0.023 0.000 1.400 179 I HN 0.494 nan 8.210 nan 0.000 0.488 180 D N 7.618 128.027 120.400 0.016 0.000 2.402 180 D HA 0.088 4.728 4.640 0.000 0.000 0.235 180 D C 1.151 177.473 176.300 0.036 0.000 1.226 180 D CA -0.220 53.810 54.000 0.051 0.000 0.918 180 D CB 0.786 41.677 40.800 0.152 0.000 1.043 180 D HN 0.313 nan 8.370 nan 0.000 0.506 181 I N 3.492 124.093 120.570 0.052 0.000 2.127 181 I HA -0.288 3.882 4.170 0.000 0.000 0.241 181 I C 1.766 177.977 176.117 0.157 0.000 1.075 181 I CA 0.910 62.292 61.300 0.137 0.000 1.334 181 I CB -0.957 37.133 38.000 0.150 0.000 1.040 181 I HN 0.389 nan 8.210 nan 0.000 0.405 182 N N 1.125 119.875 118.700 0.083 0.000 2.289 182 N HA -0.091 4.649 4.740 0.000 0.000 0.184 182 N C 1.678 177.194 175.510 0.011 0.000 1.016 182 N CA 1.411 54.499 53.050 0.064 0.000 0.872 182 N CB -0.223 38.281 38.487 0.028 0.000 0.973 182 N HN 0.402 nan 8.380 nan 0.000 0.433 183 A N -0.754 122.035 122.820 -0.053 0.000 2.218 183 A HA 0.178 4.498 4.320 0.000 0.000 0.209 183 A C 1.927 179.419 177.584 -0.154 0.000 1.168 183 A CA 0.409 52.347 52.037 -0.164 0.000 0.804 183 A CB 0.071 18.846 19.000 -0.376 0.000 0.834 183 A HN 0.156 nan 8.150 nan 0.000 0.482 184 S N -0.988 114.603 115.700 -0.181 0.000 2.503 184 S HA 0.369 4.839 4.470 0.000 0.000 0.215 184 S C -0.271 173.897 174.600 -0.720 0.000 1.003 184 S CA 0.068 57.992 58.200 -0.460 0.000 0.910 184 S CB -0.048 62.741 63.200 -0.685 0.000 0.790 184 S HN 0.417 nan 8.310 nan 0.000 0.514 185 F N 1.450 121.389 119.950 -0.018 0.000 2.563 185 F HA 0.450 4.977 4.527 0.000 0.000 0.316 185 F C 0.269 176.078 175.800 0.016 0.000 1.076 185 F CA -1.264 56.732 58.000 -0.006 0.000 0.921 185 F CB 1.200 40.197 39.000 -0.005 0.000 1.209 185 F HN -0.272 nan 8.300 nan 0.000 0.462 186 S N 2.411 118.268 115.700 0.261 0.000 2.533 186 S HA 0.131 4.601 4.470 0.000 0.000 0.282 186 S C 1.375 176.085 174.600 0.183 0.000 1.304 186 S CA -0.650 57.675 58.200 0.209 0.000 1.063 186 S CB 0.674 64.063 63.200 0.315 0.000 0.881 186 S HN 0.628 nan 8.310 nan 0.000 0.493 187 R N 2.333 122.888 120.500 0.092 0.000 2.178 187 R HA -0.193 4.147 4.340 0.000 0.000 0.257 187 R C 0.666 176.944 176.300 -0.038 0.000 1.163 187 R CA 1.456 57.573 56.100 0.029 0.000 0.981 187 R CB -0.319 29.986 30.300 0.009 0.000 0.878 187 R HN 0.531 nan 8.270 nan 0.000 0.454 188 N N -0.366 118.282 118.700 -0.087 0.000 2.314 188 N HA -0.000 4.740 4.740 0.000 0.000 0.200 188 N C 0.099 175.289 175.510 -0.533 0.000 1.135 188 N CA 0.606 53.492 53.050 -0.274 0.000 0.835 188 N CB 0.411 38.721 38.487 -0.295 0.000 0.989 188 N HN 0.431 nan 8.380 nan 0.000 0.478 189 H N -2.227 116.843 119.070 0.000 0.000 3.360 189 H HA 0.209 4.765 4.556 0.000 0.000 0.262 189 H C -0.133 175.085 175.328 -0.183 0.000 1.149 189 H CA -0.373 55.658 56.048 -0.028 0.000 1.181 189 H CB 0.517 30.322 29.762 0.072 0.000 1.564 189 H HN -0.037 nan 8.280 nan 0.000 0.565 190 N N 2.184 120.835 118.700 -0.082 0.000 2.408 190 N HA 0.057 4.797 4.740 0.000 0.000 0.257 190 N C -1.876 173.448 175.510 -0.309 0.000 1.064 190 N CA -2.057 50.867 53.050 -0.210 0.000 0.952 190 N CB 1.364 39.855 38.487 0.007 0.000 1.093 190 N HN -0.052 nan 8.380 nan 0.000 0.490 191 P HA -0.072 nan 4.420 nan 0.000 0.213 191 P C -0.674 176.016 177.300 -1.017 0.000 1.176 191 P CA 1.567 64.226 63.100 -0.735 0.000 0.919 191 P CB 0.095 31.434 31.700 -0.601 0.000 0.791 192 F N -3.238 116.623 119.950 -0.149 0.000 2.828 192 F HA 0.310 4.837 4.527 0.000 0.000 0.355 192 F C -1.943 173.789 175.800 -0.114 0.000 1.200 192 F CA -1.819 56.098 58.000 -0.138 0.000 1.062 192 F CB 1.419 40.300 39.000 -0.198 0.000 1.351 192 F HN -0.116 nan 8.300 nan 0.000 0.504 193 P HA -0.029 nan 4.420 nan 0.000 0.224 193 P C 0.934 178.259 177.300 0.042 0.000 1.157 193 P CA 0.928 64.049 63.100 0.036 0.000 0.799 193 P CB 0.370 32.082 31.700 0.021 0.000 0.809 194 N N 0.599 119.343 118.700 0.074 0.000 2.348 194 N HA -0.184 4.556 4.740 0.000 0.000 0.185 194 N C 1.627 177.201 175.510 0.107 0.000 1.019 194 N CA 0.917 54.029 53.050 0.102 0.000 0.880 194 N CB -0.596 37.974 38.487 0.139 0.000 0.965 194 N HN 0.415 nan 8.380 nan 0.000 0.437 195 E N 1.032 121.196 120.200 -0.061 0.000 2.427 195 E HA -0.095 4.255 4.350 0.000 0.000 0.196 195 E C -0.685 175.788 176.600 -0.211 0.000 1.028 195 E CA 0.006 56.173 56.400 -0.387 0.000 0.864 195 E CB 0.067 29.296 29.700 -0.784 0.000 0.813 195 E HN 0.105 nan 8.360 nan 0.000 0.514 196 D N 1.988 122.345 120.400 -0.072 0.000 2.802 196 D HA -0.224 4.416 4.640 0.000 0.000 0.229 196 D C -0.602 175.670 176.300 -0.046 0.000 1.203 196 D CA 0.833 54.818 54.000 -0.025 0.000 0.712 196 D CB -1.074 39.736 40.800 0.017 0.000 0.973 196 D HN 0.464 nan 8.370 nan 0.000 0.407 197 Q N -0.087 119.670 119.800 -0.071 0.000 2.293 197 Q HA 0.371 4.711 4.340 0.000 0.000 0.251 197 Q C 0.186 176.187 176.000 0.002 0.000 0.930 197 Q CA -0.390 55.377 55.803 -0.061 0.000 0.893 197 Q CB 1.090 29.780 28.738 -0.080 0.000 1.215 197 Q HN 0.221 nan 8.270 nan 0.000 0.425 198 I N 3.222 123.812 120.570 0.035 0.000 2.390 198 I HA 0.206 4.376 4.170 0.000 0.000 0.283 198 I C -0.227 175.909 176.117 0.031 0.000 1.016 198 I CA -0.339 60.970 61.300 0.015 0.000 1.151 198 I CB 1.137 39.179 38.000 0.070 0.000 1.293 198 I HN 0.471 nan 8.210 nan 0.000 0.458 199 T N 6.714 121.236 114.554 -0.054 0.000 2.845 199 T HA 0.513 4.863 4.350 0.000 0.000 0.288 199 T C -0.316 174.297 174.700 -0.146 0.000 0.980 199 T CA 0.020 62.140 62.100 0.034 0.000 1.071 199 T CB 0.482 69.376 68.868 0.043 0.000 0.941 199 T HN 0.139 nan 8.240 nan 0.000 0.487 200 F N 4.343 124.355 119.950 0.103 0.000 2.366 200 F HA 0.350 4.877 4.527 0.000 0.000 0.366 200 F C -2.216 173.619 175.800 0.058 0.000 1.096 200 F CA -2.680 55.355 58.000 0.059 0.000 1.060 200 F CB 1.423 40.426 39.000 0.006 0.000 1.282 200 F HN 0.296 nan 8.300 nan 0.000 0.450 201 P HA 0.217 nan 4.420 nan 0.000 0.271 201 P C 0.768 177.955 177.300 -0.188 0.000 1.233 201 P CA 0.554 63.642 63.100 -0.021 0.000 0.764 201 P CB 1.006 32.675 31.700 -0.052 0.000 0.825 202 G N 2.376 111.021 108.800 -0.257 0.000 2.175 202 G HA2 0.040 4.000 3.960 0.000 0.000 0.244 202 G HA3 0.040 4.000 3.960 0.000 0.000 0.244 202 G C 0.549 175.361 174.900 -0.147 0.000 0.982 202 G CA 0.209 45.135 45.100 -0.290 0.000 0.641 202 G HN 0.986 nan 8.290 nan 0.000 0.527 203 G N -0.885 107.898 108.800 -0.028 0.000 2.681 203 G HA2 0.119 4.079 3.960 0.000 0.000 0.220 203 G HA3 0.119 4.079 3.960 0.000 0.000 0.220 203 G C -0.351 174.564 174.900 0.025 0.000 1.353 203 G CA -0.065 45.054 45.100 0.032 0.000 0.872 203 G HN 1.408 nan 8.290 nan 0.000 0.557 204 I N 0.484 121.075 120.570 0.034 0.000 2.499 204 I HA 0.408 4.578 4.170 0.000 0.000 0.288 204 I C 0.720 176.893 176.117 0.093 0.000 1.048 204 I CA -0.832 60.487 61.300 0.033 0.000 1.062 204 I CB 1.980 39.950 38.000 -0.051 0.000 1.238 204 I HN 0.516 nan 8.210 nan 0.000 0.426 205 R N 6.257 126.863 120.500 0.178 0.000 2.641 205 R HA 0.180 4.521 4.340 0.000 0.000 0.269 205 R C -1.397 174.860 176.300 -0.071 0.000 1.074 205 R CA -1.288 54.829 56.100 0.028 0.000 1.133 205 R CB 0.531 30.832 30.300 0.002 0.000 1.029 205 R HN 0.374 nan 8.270 nan 0.000 0.488 206 P HA -0.206 nan 4.420 nan 0.000 0.220 206 P C 0.657 177.828 177.300 -0.216 0.000 1.148 206 P CA 1.320 64.296 63.100 -0.207 0.000 0.803 206 P CB 0.087 31.663 31.700 -0.208 0.000 0.782 207 E N -0.398 119.588 120.200 -0.357 0.000 2.409 207 E HA -0.133 4.217 4.350 0.000 0.000 0.198 207 E C 0.787 177.129 176.600 -0.429 0.000 1.024 207 E CA 0.808 56.939 56.400 -0.447 0.000 0.861 207 E CB -0.850 28.500 29.700 -0.583 0.000 0.788 207 E HN 0.254 nan 8.360 nan 0.000 0.521 208 F N 1.047 121.045 119.950 0.080 0.000 2.727 208 F HA 0.354 4.881 4.527 0.000 0.000 0.302 208 F C 0.872 176.879 175.800 0.345 0.000 1.097 208 F CA -0.394 57.739 58.000 0.222 0.000 1.330 208 F CB 0.196 39.245 39.000 0.082 0.000 1.084 208 F HN -0.134 nan 8.300 nan 0.000 0.578 209 I N 0.382 121.145 120.570 0.322 0.000 2.330 209 I HA 0.285 4.455 4.170 0.000 0.000 0.286 209 I C 1.340 177.450 176.117 -0.012 0.000 1.025 209 I CA -0.374 61.024 61.300 0.164 0.000 1.197 209 I CB 1.645 39.702 38.000 0.095 0.000 1.358 209 I HN -0.018 nan 8.210 nan 0.000 0.467 210 R N 4.031 124.395 120.500 -0.227 0.000 2.080 210 R HA 0.023 4.363 4.340 0.000 0.000 0.222 210 R C 0.566 176.682 176.300 -0.308 0.000 1.107 210 R CA 1.152 56.883 56.100 -0.615 0.000 0.980 210 R CB 0.398 30.076 30.300 -1.037 0.000 0.879 210 R HN 0.842 nan 8.270 nan 0.000 0.439 211 S N -2.554 113.092 115.700 -0.090 0.000 2.703 211 S HA 0.393 4.863 4.470 0.000 0.000 0.273 211 S C -0.877 173.832 174.600 0.182 0.000 1.178 211 S CA -0.757 57.495 58.200 0.088 0.000 0.838 211 S CB 2.007 65.185 63.200 -0.037 0.000 1.178 211 S HN -0.001 nan 8.310 nan 0.000 0.494 212 T N 0.234 114.866 114.554 0.130 0.000 2.942 212 T HA 0.588 4.938 4.350 0.000 0.000 0.327 212 T C -2.333 172.383 174.700 0.027 0.000 1.360 212 T CA -0.388 61.613 62.100 -0.165 0.000 1.055 212 T CB 0.916 69.338 68.868 -0.743 0.000 1.261 212 T HN 0.520 nan 8.240 nan 0.000 0.485 213 Y N 2.187 122.397 120.300 -0.150 0.000 2.330 213 Y HA 0.492 5.042 4.550 0.000 0.000 0.336 213 Y C 0.588 176.357 175.900 -0.218 0.000 1.036 213 Y CA -1.595 56.361 58.100 -0.240 0.000 1.125 213 Y CB 1.311 39.497 38.460 -0.456 0.000 1.194 213 Y HN 0.629 nan 8.280 nan 0.000 0.469 214 E N 3.616 123.801 120.200 -0.025 0.000 2.109 214 E HA 0.313 4.663 4.350 0.000 0.000 0.278 214 E C -1.751 174.674 176.600 -0.292 0.000 0.954 214 E CA -0.400 55.907 56.400 -0.154 0.000 0.779 214 E CB 0.521 30.312 29.700 0.152 0.000 1.093 214 E HN 0.532 nan 8.360 nan 0.000 0.401 215 Y N 2.353 122.595 120.300 -0.097 0.000 2.387 215 Y HA 0.325 4.875 4.550 0.000 0.000 0.336 215 Y C -0.128 175.873 175.900 0.168 0.000 1.067 215 Y CA -0.542 57.566 58.100 0.013 0.000 1.114 215 Y CB 1.604 40.120 38.460 0.093 0.000 1.208 215 Y HN 0.498 nan 8.280 nan 0.000 0.458 216 H N 2.143 121.278 119.070 0.108 0.000 2.727 216 H HA 0.250 4.806 4.556 0.000 0.000 0.330 216 H C -0.506 174.861 175.328 0.064 0.000 0.986 216 H CA -1.122 54.958 56.048 0.054 0.000 1.251 216 H CB 0.897 30.675 29.762 0.026 0.000 1.493 216 H HN 0.819 nan 8.280 nan 0.000 0.515 217 N N 2.287 121.075 118.700 0.148 0.000 2.725 217 N HA -0.248 4.492 4.740 0.000 0.000 0.249 217 N C 1.008 176.561 175.510 0.072 0.000 1.103 217 N CA 0.368 53.466 53.050 0.080 0.000 0.707 217 N CB -0.736 37.791 38.487 0.066 0.000 1.043 217 N HN 1.094 nan 8.380 nan 0.000 0.553 218 G N -1.373 107.483 108.800 0.093 0.000 2.159 218 G HA2 -0.311 3.649 3.960 0.000 0.000 0.256 218 G HA3 -0.311 3.649 3.960 0.000 0.000 0.256 218 G C -0.358 174.656 174.900 0.189 0.000 0.977 218 G CA 0.479 45.605 45.100 0.045 0.000 0.652 218 G HN 0.424 nan 8.290 nan 0.000 0.531 219 E N -0.040 120.309 120.200 0.248 0.000 2.199 219 E HA 0.534 4.884 4.350 0.000 0.000 0.269 219 E C 0.581 177.252 176.600 0.118 0.000 0.899 219 E CA -0.867 55.644 56.400 0.185 0.000 0.772 219 E CB 1.492 31.235 29.700 0.071 0.000 1.155 219 E HN 0.368 nan 8.360 nan 0.000 0.408 220 I N 2.472 123.000 120.570 -0.069 0.000 2.533 220 I HA -0.053 4.117 4.170 0.000 0.000 0.284 220 I C 1.515 177.449 176.117 -0.304 0.000 1.109 220 I CA 0.022 61.079 61.300 -0.405 0.000 1.412 220 I CB 0.413 38.066 38.000 -0.578 0.000 1.396 220 I HN 0.349 nan 8.210 nan 0.000 0.543 221 V N 2.778 122.477 119.914 -0.359 0.000 3.604 221 V HA 0.417 4.537 4.120 0.000 0.000 0.277 221 V C 0.448 176.360 176.094 -0.303 0.000 1.399 221 V CA -0.096 62.001 62.300 -0.339 0.000 1.034 221 V CB 0.074 31.580 31.823 -0.528 0.000 0.824 221 V HN 0.878 nan 8.190 nan 0.000 0.439 222 R N -0.291 120.025 120.500 -0.306 0.000 2.664 222 R HA 0.647 4.987 4.340 0.000 0.000 0.260 222 R C -2.274 173.870 176.300 -0.261 0.000 1.062 222 R CA -0.687 55.225 56.100 -0.313 0.000 0.902 222 R CB 2.029 32.116 30.300 -0.355 0.000 1.258 222 R HN 0.291 nan 8.270 nan 0.000 0.465 223 I N 2.813 123.208 120.570 -0.291 0.000 2.389 223 I HA 0.400 4.570 4.170 0.000 0.000 0.288 223 I C -1.032 174.952 176.117 -0.221 0.000 0.999 223 I CA -0.481 60.756 61.300 -0.104 0.000 1.129 223 I CB 1.451 39.422 38.000 -0.047 0.000 1.288 223 I HN 0.470 nan 8.210 nan 0.000 0.444 224 W N 7.005 128.301 121.300 -0.008 0.000 2.478 224 W HA 0.549 5.209 4.660 0.000 0.000 0.318 224 W C -0.483 176.063 176.519 0.045 0.000 1.062 224 W CA -0.550 56.813 57.345 0.030 0.000 1.210 224 W CB 1.211 30.721 29.460 0.083 0.000 1.325 224 W HN 0.089 nan 8.180 nan 0.000 0.496 225 I N 3.625 124.268 120.570 0.121 0.000 2.377 225 I HA 0.123 4.293 4.170 0.000 0.000 0.293 225 I C -0.194 175.939 176.117 0.026 0.000 0.987 225 I CA -1.132 60.111 61.300 -0.095 0.000 1.185 225 I CB 1.312 38.951 38.000 -0.602 0.000 1.341 225 I HN 0.391 nan 8.210 nan 0.000 0.455 226 N N 8.545 127.097 118.700 -0.247 0.000 2.469 226 N HA 0.296 5.036 4.740 0.000 0.000 0.239 226 N C -1.996 173.519 175.510 0.009 0.000 1.053 226 N CA -2.065 50.727 53.050 -0.430 0.000 0.937 226 N CB 1.420 39.287 38.487 -1.033 0.000 1.163 226 N HN 0.208 nan 8.380 nan 0.000 0.509 227 P HA -0.017 nan 4.420 nan 0.000 0.222 227 P C 0.068 177.479 177.300 0.184 0.000 1.147 227 P CA 0.916 64.182 63.100 0.277 0.000 0.790 227 P CB 0.308 32.212 31.700 0.339 0.000 0.780 228 N N -1.058 117.724 118.700 0.137 0.000 2.314 228 N HA 0.018 4.758 4.740 0.000 0.000 0.200 228 N C 0.161 175.678 175.510 0.013 0.000 1.135 228 N CA -0.151 52.939 53.050 0.066 0.000 0.835 228 N CB -0.473 38.054 38.487 0.067 0.000 0.989 228 N HN 0.159 nan 8.380 nan 0.000 0.478 229 F N 1.655 121.551 119.950 -0.091 0.000 2.607 229 F HA -0.039 4.488 4.527 0.000 0.000 0.374 229 F C 1.690 177.451 175.800 -0.066 0.000 1.104 229 F CA -0.726 57.216 58.000 -0.097 0.000 1.296 229 F CB 0.606 39.575 39.000 -0.052 0.000 1.085 229 F HN -0.127 nan 8.300 nan 0.000 0.584 230 I N 3.938 123.965 120.570 -0.906 0.000 2.290 230 I HA -0.311 3.859 4.170 0.000 0.000 0.253 230 I C 0.826 176.612 176.117 -0.551 0.000 1.112 230 I CA 1.599 62.489 61.300 -0.683 0.000 1.377 230 I CB -0.946 36.702 38.000 -0.587 0.000 1.060 230 I HN 0.709 nan 8.210 nan 0.000 0.428 231 N N -0.369 117.885 118.700 -0.744 0.000 2.804 231 N HA 0.237 4.977 4.740 0.000 0.000 0.251 231 N C -2.070 173.481 175.510 0.068 0.000 1.250 231 N CA -1.279 51.639 53.050 -0.221 0.000 0.820 231 N CB 1.055 39.466 38.487 -0.126 0.000 1.156 231 N HN -0.100 nan 8.380 nan 0.000 0.512 232 P HA -0.129 nan 4.420 nan 0.000 0.225 232 P C 1.121 178.499 177.300 0.130 0.000 1.148 232 P CA 0.922 64.108 63.100 0.145 0.000 0.779 232 P CB 0.137 31.890 31.700 0.087 0.000 0.780 233 S N -1.260 114.491 115.700 0.085 0.000 2.481 233 S HA -0.084 4.386 4.470 0.000 0.000 0.231 233 S C 1.675 176.322 174.600 0.078 0.000 0.996 233 S CA 1.408 59.649 58.200 0.067 0.000 0.942 233 S CB -1.743 61.478 63.200 0.036 0.000 0.768 233 S HN 0.317 nan 8.310 nan 0.000 0.520 234 T N -0.366 114.253 114.554 0.108 0.000 3.107 234 T HA 0.335 4.685 4.350 0.000 0.000 0.249 234 T C 1.552 176.303 174.700 0.085 0.000 1.096 234 T CA -0.124 62.025 62.100 0.083 0.000 1.012 234 T CB -0.631 68.276 68.868 0.065 0.000 0.977 234 T HN 0.354 nan 8.240 nan 0.000 0.527 235 L N 1.069 122.369 121.223 0.130 0.000 2.129 235 L HA -0.119 4.221 4.340 0.000 0.000 0.212 235 L C 2.271 179.205 176.870 0.106 0.000 1.087 235 L CA 1.604 56.517 54.840 0.122 0.000 0.757 235 L CB -0.840 41.346 42.059 0.212 0.000 0.896 235 L HN 0.373 nan 8.230 nan 0.000 0.434 236 N N -0.474 118.293 118.700 0.111 0.000 2.512 236 N HA -0.129 4.611 4.740 0.000 0.000 0.183 236 N C 0.864 176.416 175.510 0.070 0.000 1.073 236 N CA 0.444 53.554 53.050 0.100 0.000 0.911 236 N CB 0.085 38.627 38.487 0.091 0.000 0.964 236 N HN 0.291 nan 8.380 nan 0.000 0.447 237 D N 0.037 120.470 120.400 0.056 0.000 2.355 237 D HA 0.002 4.642 4.640 0.000 0.000 0.218 237 D C -0.010 176.325 176.300 0.058 0.000 1.004 237 D CA 0.246 54.276 54.000 0.050 0.000 0.880 237 D CB 0.147 40.967 40.800 0.033 0.000 0.911 237 D HN -0.017 nan 8.370 nan 0.000 0.528 238 V N 2.227 122.168 119.914 0.046 0.000 2.493 238 V HA 0.024 4.144 4.120 0.000 0.000 0.292 238 V C 0.896 177.036 176.094 0.075 0.000 1.016 238 V CA -0.112 62.216 62.300 0.047 0.000 1.097 238 V CB 0.529 32.355 31.823 0.004 0.000 0.947 238 V HN 0.133 nan 8.190 nan 0.000 0.479 239 S N 3.852 119.619 115.700 0.111 0.000 2.687 239 S HA 0.970 5.440 4.470 0.000 0.000 0.283 239 S C 0.083 174.793 174.600 0.184 0.000 1.170 239 S CA -0.045 58.232 58.200 0.129 0.000 1.008 239 S CB 2.097 65.382 63.200 0.141 0.000 1.026 239 S HN 1.407 nan 8.310 nan 0.000 0.541 240 G N -0.006 108.854 108.800 0.099 0.000 2.328 240 G HA2 0.512 4.472 3.960 0.000 0.000 0.295 240 G HA3 0.512 4.472 3.960 0.000 0.000 0.295 240 G C -3.437 171.433 174.900 -0.050 0.000 1.413 240 G CA -0.956 44.141 45.100 -0.005 0.000 0.817 240 G HN 0.660 nan 8.290 nan 0.000 0.546 241 P HA 0.357 nan 4.420 nan 0.000 0.271 241 P C 0.304 177.564 177.300 -0.067 0.000 1.244 241 P CA -0.243 62.807 63.100 -0.083 0.000 0.793 241 P CB 0.477 32.107 31.700 -0.117 0.000 0.984 242 S N 0.294 115.967 115.700 -0.046 0.000 2.586 242 S HA 0.280 4.750 4.470 0.000 0.000 0.274 242 S C 0.425 174.997 174.600 -0.047 0.000 1.281 242 S CA -0.442 57.737 58.200 -0.035 0.000 1.035 242 S CB 0.305 63.494 63.200 -0.018 0.000 0.962 242 S HN 0.550 nan 8.310 nan 0.000 0.512 243 N N -0.413 118.262 118.700 -0.041 0.000 2.776 243 N HA -0.155 4.585 4.740 0.000 0.000 0.249 243 N C -1.147 174.322 175.510 -0.069 0.000 1.111 243 N CA 0.553 53.576 53.050 -0.045 0.000 0.711 243 N CB -1.672 36.794 38.487 -0.036 0.000 1.065 243 N HN 0.772 nan 8.380 nan 0.000 0.556 244 I N 0.328 120.844 120.570 -0.091 0.000 2.392 244 I HA 0.180 4.350 4.170 0.000 0.000 0.295 244 I C 0.707 176.744 176.117 -0.133 0.000 0.985 244 I CA -0.604 60.618 61.300 -0.129 0.000 1.221 244 I CB 1.535 39.429 38.000 -0.176 0.000 1.366 244 I HN 0.168 nan 8.210 nan 0.000 0.467 245 S N 6.329 121.939 115.700 -0.150 0.000 2.673 245 S HA -0.045 4.425 4.470 0.000 0.000 0.308 245 S C -0.177 174.289 174.600 -0.223 0.000 1.246 245 S CA 0.206 58.306 58.200 -0.166 0.000 1.077 245 S CB -0.102 62.983 63.200 -0.191 0.000 0.814 245 S HN 0.532 nan 8.310 nan 0.000 0.503 246 K N 4.773 125.065 120.400 -0.180 0.000 2.358 246 K HA 0.589 4.909 4.320 0.000 0.000 0.260 246 K C -1.517 174.948 176.600 -0.226 0.000 0.956 246 K CA -0.745 55.414 56.287 -0.212 0.000 0.834 246 K CB 1.167 33.599 32.500 -0.113 0.000 1.102 246 K HN 0.466 nan 8.250 nan 0.000 0.431 247 V N 5.175 124.843 119.914 -0.410 0.000 2.604 247 V HA 0.437 4.557 4.120 0.000 0.000 0.305 247 V C -0.808 175.161 176.094 -0.208 0.000 1.043 247 V CA -0.836 61.264 62.300 -0.333 0.000 0.888 247 V CB 1.393 32.728 31.823 -0.813 0.000 0.995 247 V HN 0.629 nan 8.190 nan 0.000 0.429 248 F N 3.101 123.119 119.950 0.113 0.000 2.404 248 F HA 0.326 4.853 4.527 0.000 0.000 0.358 248 F C 0.222 176.262 175.800 0.400 0.000 1.120 248 F CA -0.063 58.092 58.000 0.259 0.000 1.144 248 F CB 0.666 39.785 39.000 0.199 0.000 1.133 248 F HN 0.614 nan 8.300 nan 0.000 0.495 249 W N 5.823 127.380 121.300 0.428 0.000 2.150 249 W HA 0.352 5.012 4.660 0.000 0.000 0.341 249 W C -0.422 176.342 176.519 0.409 0.000 1.276 249 W CA 0.153 57.767 57.345 0.449 0.000 1.238 249 W CB 0.345 30.145 29.460 0.565 0.000 1.128 249 W HN 0.639 nan 8.180 nan 0.000 0.581 250 H N 0.587 119.213 119.070 -0.741 0.000 3.037 250 H HA 0.386 4.942 4.556 0.000 0.000 0.355 250 H C -1.030 173.293 175.328 -1.674 0.000 1.263 250 H CA -1.269 54.188 56.048 -0.985 0.000 1.129 250 H CB 0.674 30.253 29.762 -0.306 0.000 1.861 250 H HN 0.483 nan 8.280 nan 0.000 0.546 251 E N 0.815 120.392 120.200 -1.039 0.000 2.568 251 E HA -0.098 4.252 4.350 0.000 0.000 0.262 251 E C -0.316 176.176 176.600 -0.180 0.000 0.961 251 E CA 0.861 56.978 56.400 -0.472 0.000 0.945 251 E CB -0.025 29.615 29.700 -0.100 0.000 0.924 251 E HN 0.827 nan 8.360 nan 0.000 0.467 252 N N 1.262 119.939 118.700 -0.040 0.000 2.725 252 N HA -0.240 4.500 4.740 0.000 0.000 0.249 252 N C -0.322 175.177 175.510 -0.018 0.000 1.103 252 N CA 0.114 53.175 53.050 0.018 0.000 0.707 252 N CB -0.958 37.550 38.487 0.035 0.000 1.043 252 N HN 0.491 nan 8.380 nan 0.000 0.553 253 H N 1.145 120.051 119.070 -0.273 0.000 3.001 253 H HA 0.041 4.597 4.556 0.000 0.000 0.334 253 H C 1.530 176.863 175.328 0.008 0.000 1.034 253 H CA 1.466 57.325 56.048 -0.315 0.000 1.420 253 H CB 0.898 30.468 29.762 -0.320 0.000 1.405 253 H HN 0.382 nan 8.280 nan 0.000 0.593 254 S N 2.910 118.604 115.700 -0.010 0.000 2.419 254 S HA -0.165 4.305 4.470 0.000 0.000 0.235 254 S C 1.126 175.909 174.600 0.304 0.000 1.019 254 S CA 1.604 59.889 58.200 0.140 0.000 0.982 254 S CB 0.044 63.282 63.200 0.063 0.000 0.789 254 S HN 0.751 nan 8.310 nan 0.000 0.490 255 E N 0.363 120.920 120.200 0.594 0.000 2.501 255 E HA 0.288 4.638 4.350 0.000 0.000 0.200 255 E C 1.156 178.081 176.600 0.542 0.000 1.016 255 E CA 0.080 56.782 56.400 0.502 0.000 0.921 255 E CB 0.422 30.399 29.700 0.462 0.000 1.034 255 E HN 0.626 nan 8.360 nan 0.000 0.468 256 G N 0.353 109.363 108.800 0.351 0.000 3.314 256 G HA2 -0.033 3.927 3.960 0.000 0.000 0.238 256 G HA3 -0.033 3.927 3.960 0.000 0.000 0.238 256 G C 0.598 175.442 174.900 -0.094 0.000 1.184 256 G CA -0.177 44.856 45.100 -0.113 0.000 0.806 256 G HN 0.089 nan 8.290 nan 0.000 0.536 257 N N -0.015 118.718 118.700 0.054 0.000 2.197 257 N HA 0.095 4.835 4.740 0.000 0.000 0.228 257 N C 0.254 175.809 175.510 0.076 0.000 1.212 257 N CA -0.529 52.539 53.050 0.030 0.000 0.883 257 N CB 0.562 39.079 38.487 0.050 0.000 1.107 257 N HN 0.076 nan 8.380 nan 0.000 0.519 271 N N 5.241 123.662 118.700 -0.465 0.000 2.527 271 N HA 0.160 4.900 4.740 0.000 0.000 0.236 271 N C 0.590 175.647 175.510 -0.755 0.000 0.999 271 N CA -0.039 52.760 53.050 -0.418 0.000 0.935 271 N CB 1.252 39.684 38.487 -0.091 0.000 1.132 271 N HN 0.890 nan 8.380 nan 0.000 0.511 272 Q N 1.230 120.546 119.800 -0.806 0.000 2.364 272 Q HA -0.099 4.241 4.340 0.000 0.000 0.209 272 Q C -0.615 175.344 176.000 -0.068 0.000 0.977 272 Q CA 1.181 56.698 55.803 -0.477 0.000 0.885 272 Q CB 0.161 28.846 28.738 -0.087 0.000 0.941 272 Q HN 0.377 nan 8.270 nan 0.000 0.464 273 D N -0.241 120.142 120.400 -0.027 0.000 2.363 273 D HA 0.068 4.708 4.640 0.000 0.000 0.214 273 D C 0.794 177.166 176.300 0.121 0.000 1.093 273 D CA -0.243 53.802 54.000 0.075 0.000 0.837 273 D CB -0.151 40.703 40.800 0.090 0.000 0.948 273 D HN 0.163 nan 8.370 nan 0.000 0.507 274 F N 1.745 121.688 119.950 -0.012 0.000 2.126 274 F HA -0.161 4.366 4.527 0.000 0.000 0.299 274 F C 0.968 176.849 175.800 0.134 0.000 1.096 274 F CA 1.157 59.185 58.000 0.047 0.000 1.255 274 F CB 0.264 39.279 39.000 0.025 0.000 0.997 274 F HN -0.185 nan 8.300 nan 0.000 0.479 278 A N 5.348 127.653 122.820 -0.858 0.000 1.896 278 A HA -0.091 4.229 4.320 0.000 0.000 0.220 278 A C -1.047 176.088 177.584 -0.749 0.000 1.206 278 A CA 2.465 54.010 52.037 -0.820 0.000 0.647 278 A CB -1.871 16.598 19.000 -0.886 0.000 0.828 278 A HN 0.610 nan 8.150 nan 0.000 0.455 279 P HA -0.050 nan 4.420 nan 0.000 0.228 279 P C 0.258 177.309 177.300 -0.415 0.000 1.151 279 P CA 0.903 63.545 63.100 -0.763 0.000 0.770 279 P CB -0.190 31.012 31.700 -0.829 0.000 0.786 280 N N -0.635 117.797 118.700 -0.446 0.000 2.370 280 N HA 0.172 4.912 4.740 0.000 0.000 0.198 280 N C 0.964 176.067 175.510 -0.678 0.000 1.156 280 N CA 0.424 53.260 53.050 -0.356 0.000 0.839 280 N CB 0.267 38.514 38.487 -0.399 0.000 0.989 280 N HN 0.152 nan 8.380 nan 0.000 0.468 281 G N -0.436 107.794 108.800 -0.950 0.000 2.561 281 G HA2 0.554 4.514 3.960 0.000 0.000 0.310 281 G HA3 0.554 4.514 3.960 0.000 0.000 0.310 281 G C -1.710 172.432 174.900 -1.263 0.000 1.292 281 G CA -0.638 43.471 45.100 -1.652 0.000 0.811 281 G HN 0.151 nan 8.290 nan 0.000 0.482 282 E N -1.858 117.458 120.200 -1.473 0.000 2.421 282 E HA 0.290 4.640 4.350 0.000 0.000 0.278 282 E C -1.627 174.586 176.600 -0.645 0.000 1.141 282 E CA -0.985 54.969 56.400 -0.743 0.000 0.880 282 E CB 0.822 30.346 29.700 -0.293 0.000 1.381 282 E HN 0.442 nan 8.360 nan 0.000 0.436 283 I N 2.515 122.956 120.570 -0.216 0.000 2.308 283 I HA 0.176 4.347 4.170 0.000 0.000 0.293 283 I C -1.425 174.623 176.117 -0.114 0.000 1.078 283 I CA -1.865 59.373 61.300 -0.103 0.000 1.292 283 I CB 0.841 38.859 38.000 0.030 0.000 1.423 283 I HN 0.453 nan 8.210 nan 0.000 0.493 284 P HA -0.076 nan 4.420 nan 0.000 0.219 284 P C -0.459 176.803 177.300 -0.064 0.000 1.150 284 P CA 1.278 64.310 63.100 -0.114 0.000 0.814 284 P CB 0.069 31.687 31.700 -0.137 0.000 0.787 285 N N -2.723 115.950 118.700 -0.044 0.000 3.395 285 N HA 0.112 4.852 4.740 0.000 0.000 0.293 285 N C -0.739 174.766 175.510 -0.009 0.000 1.489 285 N CA -0.720 52.316 53.050 -0.024 0.000 0.871 285 N CB -0.606 37.867 38.487 -0.025 0.000 1.649 285 N HN -0.380 nan 8.380 nan 0.000 0.501 286 N N -0.891 117.808 118.700 -0.002 0.000 2.338 286 N HA 0.233 4.973 4.740 0.000 0.000 0.251 286 N C -1.004 174.510 175.510 0.008 0.000 1.199 286 N CA -0.306 52.748 53.050 0.006 0.000 0.879 286 N CB -0.335 38.159 38.487 0.012 0.000 1.159 286 N HN 0.415 nan 8.380 nan 0.000 0.514 287 N N 0.705 119.408 118.700 0.005 0.000 2.444 287 N HA 0.151 4.891 4.740 0.000 0.000 0.255 287 N C 0.422 175.940 175.510 0.014 0.000 1.255 287 N CA -0.057 52.998 53.050 0.009 0.000 0.933 287 N CB 1.176 39.666 38.487 0.005 0.000 1.143 287 N HN 0.122 nan 8.380 nan 0.000 0.453 288 L N 1.092 122.327 121.223 0.020 0.000 2.453 288 L HA 0.054 4.394 4.340 0.000 0.000 0.272 288 L C 0.768 177.656 176.870 0.030 0.000 1.182 288 L CA -0.433 54.422 54.840 0.026 0.000 0.858 288 L CB 0.270 42.348 42.059 0.032 0.000 1.120 288 L HN 0.295 nan 8.230 nan 0.000 0.474 289 L N 4.746 125.990 121.223 0.036 0.000 2.648 289 L HA 0.136 4.476 4.340 0.000 0.000 0.238 289 L C 0.648 177.552 176.870 0.057 0.000 1.316 289 L CA 0.310 55.184 54.840 0.056 0.000 1.241 289 L CB -0.880 41.220 42.059 0.069 0.000 1.499 289 L HN 0.694 nan 8.230 nan 0.000 0.411 290 N N -1.353 117.371 118.700 0.041 0.000 2.200 290 N HA 0.085 4.825 4.740 0.000 0.000 0.224 290 N C -0.199 175.321 175.510 0.016 0.000 1.179 290 N CA -0.383 52.686 53.050 0.032 0.000 0.877 290 N CB -0.113 38.394 38.487 0.033 0.000 1.072 290 N HN 0.406 nan 8.380 nan 0.000 0.519 291 N N -0.138 118.571 118.700 0.016 0.000 2.813 291 N HA 0.277 5.017 4.740 0.000 0.000 0.320 291 N C -0.166 175.339 175.510 -0.010 0.000 1.315 291 N CA -0.815 52.237 53.050 0.003 0.000 0.871 291 N CB -0.064 38.430 38.487 0.011 0.000 1.241 291 N HN -0.109 nan 8.380 nan 0.000 0.602 292 N N -1.595 117.096 118.700 -0.014 0.000 2.398 292 N HA 0.037 4.777 4.740 0.000 0.000 0.188 292 N C -0.199 175.333 175.510 0.037 0.000 1.122 292 N CA -0.008 53.022 53.050 -0.032 0.000 0.866 292 N CB 0.108 38.567 38.487 -0.046 0.000 0.970 292 N HN 0.630 nan 8.380 nan 0.000 0.462 293 S N 0.044 115.788 115.700 0.074 0.000 2.738 293 S HA 0.374 4.844 4.470 0.000 0.000 0.284 293 S C 0.494 175.199 174.600 0.175 0.000 1.146 293 S CA -0.833 57.438 58.200 0.119 0.000 0.997 293 S CB 0.883 64.112 63.200 0.049 0.000 1.081 293 S HN 0.115 nan 8.310 nan 0.000 0.553 294 L N -1.239 120.032 121.223 0.080 0.000 2.741 294 L HA 0.540 4.880 4.340 0.000 0.000 0.237 294 L C 0.257 177.125 176.870 -0.003 0.000 1.178 294 L CA -0.283 54.571 54.840 0.024 0.000 0.973 294 L CB -1.854 40.033 42.059 -0.285 0.000 1.255 294 L HN 0.874 nan 8.230 nan 0.000 0.498 295 N N -1.157 117.545 118.700 0.003 0.000 2.747 295 N HA -0.143 4.597 4.740 0.000 0.000 0.249 295 N C -0.637 174.840 175.510 -0.055 0.000 1.107 295 N CA 0.419 53.460 53.050 -0.015 0.000 0.707 295 N CB -0.811 37.678 38.487 0.004 0.000 1.054 295 N HN 0.282 nan 8.380 nan 0.000 0.555 296 V N 1.536 121.402 119.914 -0.080 0.000 2.487 296 V HA 0.411 4.531 4.120 0.000 0.000 0.298 296 V C 0.617 176.665 176.094 -0.077 0.000 1.028 296 V CA -0.672 61.566 62.300 -0.104 0.000 0.860 296 V CB 1.841 33.566 31.823 -0.164 0.000 0.991 296 V HN 0.114 nan 8.190 nan 0.000 0.427 297 I N 4.838 125.368 120.570 -0.068 0.000 2.683 297 I HA 0.056 4.226 4.170 0.000 0.000 0.286 297 I C 0.865 176.950 176.117 -0.055 0.000 1.175 297 I CA 0.257 61.525 61.300 -0.053 0.000 1.429 297 I CB 0.335 38.306 38.000 -0.048 0.000 1.371 297 I HN 0.616 nan 8.210 nan 0.000 0.569 298 Q N 0.000 119.775 119.800 -0.042 0.000 2.315 298 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 298 Q CA 0.000 55.780 55.803 -0.038 0.000 1.022 298 Q CB 0.000 28.723 28.738 -0.026 0.000 1.108 298 Q HN 0.000 nan 8.270 nan 0.000 0.481