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_J 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 0.000 175.263 175.510 -0.411 0.000 1.280 33 N CA 0.000 52.987 53.050 -0.106 0.000 0.885 33 N CB 0.000 38.439 38.487 -0.080 0.000 1.341 34 S N 0.694 116.085 115.700 -0.514 0.000 2.593 34 S HA 0.041 4.511 4.470 0.000 0.000 0.303 34 S C -2.411 171.767 174.600 -0.704 0.000 1.267 34 S CA -0.369 57.323 58.200 -0.847 0.000 1.047 34 S CB -0.047 62.924 63.200 -0.381 0.000 0.777 34 S HN 0.182 nan 8.310 nan 0.000 0.498 35 P HA 0.328 nan 4.420 nan 0.000 0.278 35 P C 0.339 177.476 177.300 -0.273 0.000 1.238 35 P CA -0.678 62.103 63.100 -0.532 0.000 0.794 35 P CB 0.622 31.909 31.700 -0.689 0.000 0.955 36 K N 1.035 121.325 120.400 -0.183 0.000 2.057 36 K HA -0.035 4.285 4.320 0.000 0.000 0.206 36 K C 0.561 177.135 176.600 -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 31.940 32.500 -0.083 0.000 0.715 36 K HN 0.688 nan 8.250 nan 0.000 0.439 37 D N -1.037 119.357 120.400 -0.010 0.000 2.585 37 D HA 0.041 4.681 4.640 0.000 0.000 0.254 37 D C 0.126 176.524 176.300 0.164 0.000 1.067 37 D CA -0.820 53.211 54.000 0.052 0.000 1.090 37 D CB -0.057 40.764 40.800 0.035 0.000 1.408 37 D HN -0.137 nan 8.370 nan 0.000 0.554 38 N N -1.225 117.573 118.700 0.163 0.000 2.313 38 N HA -0.012 4.728 4.740 0.000 0.000 0.207 38 N C 0.467 176.050 175.510 0.122 0.000 1.141 38 N CA -0.064 53.104 53.050 0.198 0.000 0.830 38 N CB -0.394 38.127 38.487 0.056 0.000 1.008 38 N HN 0.365 nan 8.380 nan 0.000 0.481 39 T N 0.466 115.120 114.554 0.167 0.000 2.737 39 T HA -0.153 4.197 4.350 0.000 0.000 0.269 39 T C 1.383 176.147 174.700 0.107 0.000 1.040 39 T CA 1.681 63.839 62.100 0.096 0.000 1.142 39 T CB -0.378 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 2.996 124.261 121.300 -0.059 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 -0.047 0.000 1.219 40 W CA 0.723 58.025 57.345 -0.072 0.000 1.220 40 W CB -1.074 28.343 29.460 -0.072 0.000 1.127 40 W HN 0.432 nan 8.180 nan 0.000 0.556 41 I N -1.482 118.729 120.570 -0.599 0.000 3.936 41 I HA 0.273 4.443 4.170 0.000 0.000 0.330 41 I C 1.733 177.686 176.117 -0.273 0.000 1.509 41 I CA -0.316 60.649 61.300 -0.558 0.000 1.126 41 I CB -0.283 37.173 38.000 -0.907 0.000 1.115 41 I HN -0.104 nan 8.210 nan 0.000 0.424 42 Q N 1.733 121.438 119.800 -0.159 0.000 2.364 42 Q HA 0.027 4.368 4.340 0.000 0.000 0.207 42 Q C 2.222 178.185 176.000 -0.061 0.000 0.970 42 Q CA 1.403 57.152 55.803 -0.091 0.000 0.888 42 Q CB 0.183 28.887 28.738 -0.056 0.000 0.951 42 Q HN 0.782 nan 8.270 nan 0.000 0.469 43 A N 0.527 123.291 122.820 -0.094 0.000 2.208 43 A HA 0.307 4.627 4.320 0.000 0.000 0.209 43 A C 0.962 178.586 177.584 0.066 0.000 1.161 43 A CA 0.322 52.302 52.037 -0.094 0.000 0.782 43 A CB -0.164 18.683 19.000 -0.255 0.000 0.816 43 A HN 0.312 nan 8.150 nan 0.000 0.477 44 A N 0.064 122.871 122.820 -0.023 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 0.842 52.825 52.037 -0.091 0.000 0.760 44 A CB 0.009 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 1.703 117.349 115.700 -0.089 0.000 2.388 45 S HA 0.076 4.546 4.470 0.000 0.000 0.223 45 S C 0.864 175.372 174.600 -0.152 0.000 1.034 45 S CA 0.392 58.545 58.200 -0.078 0.000 0.963 45 S CB -0.334 62.835 63.200 -0.051 0.000 0.827 45 S HN 0.608 nan 8.310 nan 0.000 0.481 46 L N 3.501 124.547 121.223 -0.296 0.000 2.384 46 L HA 0.159 4.499 4.340 0.000 0.000 0.258 46 L C 1.709 178.129 176.870 -0.751 0.000 1.266 46 L CA -0.099 54.384 54.840 -0.595 0.000 1.162 46 L CB -0.053 41.481 42.059 -0.875 0.000 1.375 46 L HN 0.431 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 0.817 62.791 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 1.272 122.553 121.300 -0.031 0.000 2.468 48 W HA 0.291 4.951 4.660 0.000 0.000 0.262 48 W C 0.734 177.230 176.519 -0.039 0.000 1.241 48 W CA -0.627 56.701 57.345 -0.029 0.000 1.232 48 W CB -1.070 28.374 29.460 -0.026 0.000 1.124 48 W HN 0.239 nan 8.180 nan 0.000 0.597 54 S N 1.924 117.770 115.700 0.244 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 59.927 58.200 0.200 0.000 0.988 54 S CB -0.488 62.775 63.200 0.106 0.000 0.838 54 S HN 0.516 nan 8.310 nan 0.000 0.462 55 L N 1.704 123.032 121.223 0.176 0.000 2.046 55 L HA -0.006 4.334 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 1.541 56.471 54.840 0.150 0.000 0.747 55 L CB -0.848 41.282 42.059 0.117 0.000 0.896 55 L HN 0.297 nan 8.230 nan 0.000 0.432 56 L N -1.315 120.050 121.223 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 -1.031 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 -0.310 120.193 120.300 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 1.940 60.121 58.100 0.135 0.000 1.182 57 Y CB -0.041 38.354 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 0.134 0.000 2.016 58 Q HA -0.174 4.166 4.340 0.000 0.000 0.200 58 Q C 2.321 178.300 176.000 -0.034 0.000 0.978 58 Q CA 1.268 57.091 55.803 0.033 0.000 0.833 58 Q CB -0.853 27.936 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 -0.011 0.000 1.075 59 L CA 1.606 56.460 54.840 0.022 0.000 0.752 59 L CB -0.741 41.358 42.059 0.067 0.000 0.891 59 L HN 0.178 nan 8.230 nan 0.000 0.432 60 I N -2.168 118.394 120.570 -0.013 0.000 2.277 60 I HA -0.230 3.941 4.170 0.000 0.000 0.243 60 I C 2.362 178.383 176.117 -0.162 0.000 1.094 60 I CA 0.997 62.285 61.300 -0.021 0.000 1.393 60 I CB -0.356 37.686 38.000 0.071 0.000 1.078 60 I HN 0.099 nan 8.210 nan 0.000 0.417 61 S N 0.335 115.835 115.700 -0.334 0.000 2.400 61 S HA -0.194 4.276 4.470 0.000 0.000 0.232 61 S C 2.082 176.559 174.600 -0.204 0.000 1.025 61 S CA 2.052 60.030 58.200 -0.370 0.000 0.993 61 S CB -0.485 62.370 63.200 -0.574 0.000 0.808 61 S HN 0.653 nan 8.310 nan 0.000 0.478 62 T N -0.400 114.063 114.554 -0.152 0.000 3.072 62 T HA 0.069 4.419 4.350 0.000 0.000 0.266 62 T C 1.343 175.971 174.700 -0.120 0.000 1.127 62 T CA 0.543 62.578 62.100 -0.107 0.000 1.107 62 T CB -0.096 68.731 68.868 -0.068 0.000 0.910 62 T HN 0.089 nan 8.240 nan 0.000 0.513 63 R N 0.688 121.090 120.500 -0.163 0.000 2.466 63 R HA 0.443 4.783 4.340 0.000 0.000 0.279 63 R C -0.170 176.018 176.300 -0.187 0.000 0.976 63 R CA -0.101 55.862 56.100 -0.228 0.000 1.081 63 R CB -0.056 29.973 30.300 -0.451 0.000 1.215 63 R HN 0.520 nan 8.270 nan 0.000 0.546 64 I N 2.501 122.983 120.570 -0.146 0.000 2.420 64 I HA 0.275 4.445 4.170 0.000 0.000 0.282 64 I C -2.267 173.724 176.117 -0.211 0.000 1.019 64 I CA -2.243 58.983 61.300 -0.124 0.000 1.130 64 I CB 1.866 39.834 38.000 -0.054 0.000 1.262 64 I HN -0.327 nan 8.210 nan 0.000 0.454 65 P HA 0.107 nan 4.420 nan 0.000 0.266 65 P C 0.737 177.682 177.300 -0.591 0.000 1.195 65 P CA 0.105 62.863 63.100 -0.571 0.000 0.768 65 P CB 0.735 31.689 31.700 -1.243 0.000 0.838 66 S N 1.733 117.237 115.700 -0.327 0.000 2.420 66 S HA -0.189 4.281 4.470 0.000 0.000 0.237 66 S C 1.398 175.894 174.600 -0.174 0.000 1.023 66 S CA 1.540 59.636 58.200 -0.175 0.000 0.991 66 S CB -0.966 62.212 63.200 -0.036 0.000 0.792 66 S HN 0.670 nan 8.310 nan 0.000 0.488 67 F N 1.150 121.019 119.950 -0.136 0.000 2.407 67 F HA 0.380 4.907 4.527 0.000 0.000 0.299 67 F C 2.137 177.696 175.800 -0.402 0.000 1.097 67 F CA 0.181 58.042 58.000 -0.233 0.000 1.422 67 F CB -0.827 38.023 39.000 -0.250 0.000 1.067 67 F HN 0.133 nan 8.300 nan 0.000 0.539 68 A N -0.510 121.893 122.820 -0.695 0.000 1.898 68 A HA 0.089 4.409 4.320 0.000 0.000 0.214 68 A C 1.530 179.130 177.584 0.026 0.000 1.183 68 A CA 1.117 52.968 52.037 -0.310 0.000 0.622 68 A CB -0.679 18.186 19.000 -0.224 0.000 0.824 68 A HN 0.294 nan 8.150 nan 0.000 0.444 69 S N -0.376 115.265 115.700 -0.097 0.000 2.130 69 S HA 0.459 4.929 4.470 0.000 0.000 0.165 69 S C -2.098 172.430 174.600 -0.119 0.000 1.677 69 S CA -1.356 56.764 58.200 -0.133 0.000 1.227 69 S CB 0.564 63.615 63.200 -0.248 0.000 1.115 69 S HN 0.107 nan 8.310 nan 0.000 0.452 70 P HA -0.080 nan 4.420 nan 0.000 0.215 70 P C 0.313 177.584 177.300 -0.049 0.000 1.157 70 P CA 1.482 64.555 63.100 -0.045 0.000 0.874 70 P CB 0.018 31.708 31.700 -0.016 0.000 0.790 71 N N -1.460 117.206 118.700 -0.057 0.000 2.270 71 N HA 0.317 5.057 4.740 0.000 0.000 0.198 71 N C 0.647 176.123 175.510 -0.058 0.000 1.117 71 N CA 0.500 53.522 53.050 -0.048 0.000 0.845 71 N CB 0.260 38.727 38.487 -0.033 0.000 0.980 71 N HN 0.141 nan 8.380 nan 0.000 0.486 72 G N 0.539 109.285 108.800 -0.090 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 -0.581 174.232 174.900 -0.144 0.000 1.370 72 G CA -0.940 44.108 45.100 -0.087 0.000 0.856 72 G HN 0.122 nan 8.290 nan 0.000 0.538 73 L N 1.474 122.621 121.223 -0.126 0.000 2.453 73 L HA 0.301 4.641 4.340 0.000 0.000 0.272 73 L C 1.315 178.124 176.870 -0.102 0.000 1.182 73 L CA -0.474 54.261 54.840 -0.174 0.000 0.858 73 L CB 0.691 42.671 42.059 -0.132 0.000 1.120 73 L HN 0.766 nan 8.230 nan 0.000 0.474 77 E N 1.148 121.417 120.200 0.116 0.000 2.264 77 E HA 0.296 4.646 4.350 0.000 0.000 0.260 77 E C -0.687 176.004 176.600 0.151 0.000 0.961 77 E CA -0.787 55.665 56.400 0.087 0.000 0.834 77 E CB 1.410 31.152 29.700 0.071 0.000 1.230 77 E HN 0.474 nan 8.360 nan 0.000 0.412 78 Q N -0.705 119.123 119.800 0.047 0.000 2.480 78 Q HA -0.255 4.085 4.340 0.000 0.000 0.265 78 Q C 0.871 176.685 176.000 -0.311 0.000 1.072 78 Q CA 0.919 56.691 55.803 -0.052 0.000 1.018 78 Q CB -2.194 26.564 28.738 0.034 0.000 1.433 78 Q HN 0.799 nan 8.270 nan 0.000 0.513 79 T N -2.600 111.856 114.554 -0.163 0.000 2.995 79 T HA 0.181 4.531 4.350 0.000 0.000 0.269 79 T C 0.708 175.329 174.700 -0.133 0.000 1.091 79 T CA 0.719 62.721 62.100 -0.162 0.000 1.128 79 T CB 0.265 69.144 68.868 0.018 0.000 0.891 79 T HN 0.354 nan 8.240 nan 0.000 0.492 80 I N 1.568 122.077 120.570 -0.102 0.000 2.499 80 I HA 0.304 4.474 4.170 0.000 0.000 0.288 80 I C -1.131 174.950 176.117 -0.060 0.000 1.048 80 I CA -1.094 60.168 61.300 -0.064 0.000 1.062 80 I CB 2.174 40.155 38.000 -0.033 0.000 1.238 80 I HN -0.056 nan 8.210 nan 0.000 0.426 81 D N 4.170 124.539 120.400 -0.051 0.000 2.344 81 D HA 0.085 4.725 4.640 0.000 0.000 0.253 81 D C 0.829 177.115 176.300 -0.023 0.000 1.255 81 D CA 0.405 54.383 54.000 -0.037 0.000 0.894 81 D CB 1.039 41.819 40.800 -0.032 0.000 1.067 81 D HN 0.367 nan 8.370 nan 0.000 0.492 82 S N 3.191 118.880 115.700 -0.019 0.000 2.584 82 S HA -0.089 4.381 4.470 0.000 0.000 0.240 82 S C 1.423 176.017 174.600 -0.010 0.000 0.975 82 S CA 0.127 58.320 58.200 -0.013 0.000 0.949 82 S CB -0.086 63.107 63.200 -0.011 0.000 0.761 82 S HN 0.498 nan 8.310 nan 0.000 0.536 83 N N 0.999 119.693 118.700 -0.010 0.000 2.376 83 N HA -0.010 4.730 4.740 0.000 0.000 0.177 83 N C 1.734 177.239 175.510 -0.008 0.000 1.024 83 N CA 1.530 54.576 53.050 -0.008 0.000 0.893 83 N CB 0.113 38.596 38.487 -0.007 0.000 0.980 83 N HN 0.653 nan 8.380 nan 0.000 0.439 84 T N -6.101 108.447 114.554 -0.010 0.000 2.993 84 T HA 0.321 4.671 4.350 0.000 0.000 0.260 84 T C 1.287 175.980 174.700 -0.010 0.000 0.939 84 T CA 0.637 62.730 62.100 -0.011 0.000 0.886 84 T CB 0.720 69.580 68.868 -0.013 0.000 1.209 84 T HN 0.116 nan 8.240 nan 0.000 0.518 85 G N 1.734 110.528 108.800 -0.010 0.000 2.179 85 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 85 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 85 G C -0.002 174.895 174.900 -0.006 0.000 0.977 85 G CA 0.168 45.264 45.100 -0.006 0.000 0.641 85 G HN 0.693 nan 8.290 nan 0.000 0.533 86 Q N 0.268 120.060 119.800 -0.013 0.000 2.306 86 Q HA 0.441 4.781 4.340 0.000 0.000 0.241 86 Q C 0.965 176.956 176.000 -0.014 0.000 0.948 86 Q CA -0.563 55.230 55.803 -0.016 0.000 0.886 86 Q CB 1.176 29.898 28.738 -0.027 0.000 1.227 86 Q HN 0.326 nan 8.270 nan 0.000 0.457 87 I N 1.952 122.522 120.570 0.000 0.000 2.648 87 I HA -0.090 4.080 4.170 0.000 0.000 0.284 87 I C 0.705 176.822 176.117 -0.001 0.000 1.153 87 I CA 0.093 61.406 61.300 0.022 0.000 1.426 87 I CB -0.088 37.971 38.000 0.098 0.000 1.381 87 I HN 0.544 nan 8.210 nan 0.000 0.571 88 Q N 6.426 126.208 119.800 -0.030 0.000 2.296 88 Q HA 0.299 4.639 4.340 0.000 0.000 0.263 88 Q C -0.790 175.227 176.000 0.028 0.000 1.026 88 Q CA 0.455 56.220 55.803 -0.063 0.000 0.912 88 Q CB 0.201 28.790 28.738 -0.248 0.000 1.198 88 Q HN 0.487 nan 8.270 nan 0.000 0.407 89 I N 5.262 125.798 120.570 -0.057 0.000 2.412 89 I HA 0.321 4.491 4.170 0.000 0.000 0.279 89 I C -0.898 175.153 176.117 -0.109 0.000 1.063 89 I CA -0.621 60.505 61.300 -0.290 0.000 1.193 89 I CB 0.383 38.076 38.000 -0.512 0.000 1.370 89 I HN 0.648 nan 8.210 nan 0.000 0.479 90 D N 2.481 122.987 120.400 0.177 0.000 2.583 90 D HA 0.237 4.877 4.640 0.000 0.000 0.248 90 D C 0.308 176.779 176.300 0.284 0.000 1.209 90 D CA -0.792 53.317 54.000 0.182 0.000 0.848 90 D CB 0.550 41.440 40.800 0.150 0.000 1.431 90 D HN -0.062 nan 8.370 nan 0.000 0.436 91 N N 0.244 118.990 118.700 0.078 0.000 2.132 91 N HA -0.172 4.568 4.740 0.000 0.000 0.191 91 N C 1.076 176.600 175.510 0.024 0.000 1.015 91 N CA 1.319 54.322 53.050 -0.078 0.000 0.864 91 N CB -0.144 37.934 38.487 -0.681 0.000 1.006 91 N HN 0.578 nan 8.380 nan 0.000 0.430 92 E N -0.598 119.598 120.200 -0.006 0.000 2.268 92 E HA -0.121 4.229 4.350 0.000 0.000 0.195 92 E C 0.531 176.983 176.600 -0.247 0.000 0.995 92 E CA 0.889 57.222 56.400 -0.111 0.000 0.836 92 E CB -0.261 29.321 29.700 -0.195 0.000 0.763 92 E HN 0.654 nan 8.360 nan 0.000 0.491 93 H N -0.222 118.960 119.070 0.188 0.000 2.594 93 H HA 0.196 4.752 4.556 0.000 0.000 0.279 93 H C 0.251 175.677 175.328 0.164 0.000 1.042 93 H CA -0.300 55.874 56.048 0.209 0.000 1.177 93 H CB 0.379 30.293 29.762 0.253 0.000 1.524 93 H HN -0.131 nan 8.280 nan 0.000 0.537 94 R N 1.847 122.449 120.500 0.171 0.000 2.296 94 R HA 0.224 4.564 4.340 0.000 0.000 0.323 94 R C -0.991 175.210 176.300 -0.165 0.000 1.067 94 R CA -0.079 55.888 56.100 -0.222 0.000 0.946 94 R CB 0.056 30.383 30.300 0.045 0.000 0.991 94 R HN 0.193 nan 8.270 nan 0.000 0.448 95 L N 5.561 126.607 121.223 -0.296 0.000 2.330 95 L HA 0.577 4.917 4.340 0.000 0.000 0.271 95 L C -0.494 176.274 176.870 -0.170 0.000 1.013 95 L CA -1.079 53.683 54.840 -0.129 0.000 0.816 95 L CB 1.652 43.693 42.059 -0.029 0.000 1.287 95 L HN 0.500 nan 8.230 nan 0.000 0.435 96 L N 1.714 122.872 121.223 -0.110 0.000 2.371 96 L HA 0.682 5.022 4.340 0.000 0.000 0.262 96 L C -0.659 176.133 176.870 -0.131 0.000 1.006 96 L CA -0.686 54.061 54.840 -0.155 0.000 0.818 96 L CB 2.457 44.400 42.059 -0.192 0.000 1.354 96 L HN 0.546 nan 8.230 nan 0.000 0.415 97 R N 1.125 121.531 120.500 -0.157 0.000 2.515 97 R HA 0.354 4.694 4.340 0.000 0.000 0.291 97 R C -2.080 174.220 176.300 0.000 0.000 1.046 97 R CA -0.473 55.559 56.100 -0.113 0.000 0.914 97 R CB 1.297 31.378 30.300 -0.365 0.000 1.191 97 R HN 0.515 nan 8.270 nan 0.000 0.435 98 W N 3.820 125.229 121.300 0.182 0.000 2.322 98 W HA 0.343 5.003 4.660 0.000 0.000 0.307 98 W C 0.113 176.800 176.519 0.281 0.000 1.220 98 W CA 0.146 57.643 57.345 0.253 0.000 1.210 98 W CB 1.035 30.635 29.460 0.233 0.000 1.223 98 W HN 0.320 nan 8.180 nan 0.000 0.511 99 D N 1.721 122.497 120.400 0.627 0.000 2.837 99 D HA 0.214 4.854 4.640 0.000 0.000 0.220 99 D C 0.676 177.347 176.300 0.619 0.000 1.236 99 D CA -0.532 53.807 54.000 0.566 0.000 0.838 99 D CB 1.844 42.985 40.800 0.569 0.000 1.647 99 D HN 0.289 nan 8.370 nan 0.000 0.486 100 R N 1.347 122.164 120.500 0.528 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 0.432 0.000 0.989 100 R CA 0.152 56.543 56.100 0.485 0.000 1.016 100 R CB 0.241 30.779 30.300 0.397 0.000 0.918 100 R HN 0.192 nan 8.270 nan 0.000 0.473 101 R N 1.993 122.698 120.500 0.342 0.000 2.438 101 R HA 0.169 4.509 4.340 0.000 0.000 0.287 101 R C -2.124 174.059 176.300 -0.195 0.000 1.077 101 R CA -1.472 54.686 56.100 0.097 0.000 1.034 101 R CB 0.352 30.701 30.300 0.081 0.000 0.993 101 R HN -0.002 nan 8.270 nan 0.000 0.459 102 P HA 0.179 nan 4.420 nan 0.000 0.278 102 P C -2.244 174.570 177.300 -0.809 0.000 1.266 102 P CA -1.839 60.710 63.100 -0.918 0.000 0.807 102 P CB 0.704 32.124 31.700 -0.468 0.000 1.094 103 P HA -0.181 nan 4.420 nan 0.000 0.216 103 P C 1.099 177.874 177.300 -0.875 0.000 1.150 103 P CA 1.584 63.848 63.100 -1.393 0.000 0.843 103 P CB -0.328 30.200 31.700 -1.954 0.000 0.787 104 N N -0.726 117.774 118.700 -0.333 0.000 2.364 104 N HA -0.141 4.600 4.740 0.000 0.000 0.183 104 N C 1.448 176.953 175.510 -0.009 0.000 1.022 104 N CA 1.125 54.247 53.050 0.119 0.000 0.883 104 N CB -0.702 37.855 38.487 0.116 0.000 0.965 104 N HN 0.237 nan 8.380 nan 0.000 0.438 105 D N 0.109 120.386 120.400 -0.205 0.000 2.394 105 D HA 0.037 4.677 4.640 0.000 0.000 0.237 105 D C 1.909 178.017 176.300 -0.320 0.000 1.028 105 D CA 0.208 54.094 54.000 -0.190 0.000 0.937 105 D CB 0.020 40.715 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 -0.517 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 0.920 61.780 61.300 -0.734 0.000 1.347 106 I CB -1.331 35.954 38.000 -1.192 0.000 1.044 106 I HN 0.065 nan 8.210 nan 0.000 0.408 107 F N 0.239 119.676 119.950 -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 0.437 57.812 58.000 -1.041 0.000 1.457 107 F CB -0.967 36.859 39.000 -1.957 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 -0.297 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 1.579 56.429 54.840 0.017 0.000 0.795 108 L CB -0.440 41.724 42.059 0.175 0.000 0.960 108 L HN -0.139 nan 8.230 nan 0.000 0.458 109 N N -0.208 118.408 118.700 -0.140 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 -0.193 0.000 1.107 109 N CA 0.848 53.819 53.050 -0.131 0.000 0.884 109 N CB 0.702 39.122 38.487 -0.111 0.000 1.030 109 N HN 0.427 nan 8.380 nan 0.000 0.482 110 G N 1.304 109.904 108.800 -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 44.240 45.100 -0.442 0.000 0.896 110 G HN 0.135 nan 8.290 nan 0.000 0.574 111 F N 0.739 120.604 119.950 -0.141 0.000 2.313 111 F HA 0.604 5.131 4.527 0.000 0.000 0.369 111 F C 1.022 176.771 175.800 -0.084 0.000 1.109 111 F CA -0.628 57.296 58.000 -0.127 0.000 1.132 111 F CB 0.904 39.821 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 0.311 4.481 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 -2.026 59.297 61.300 0.039 0.000 1.310 112 I CB 1.202 39.212 38.000 0.017 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 0.159 177.467 177.300 0.012 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 0.014 0.000 2.120 114 R HA 0.006 4.346 4.340 0.000 0.000 0.234 114 R C 0.133 176.445 176.300 0.020 0.000 1.123 114 R CA 0.864 56.978 56.100 0.024 0.000 0.975 114 R CB -0.372 29.946 30.300 0.031 0.000 0.866 114 R HN 0.274 nan 8.270 nan 0.000 0.446 115 V N 1.015 120.929 119.914 0.001 0.000 2.370 115 V HA 0.107 4.227 4.120 0.000 0.000 0.283 115 V C 0.819 176.936 176.094 0.038 0.000 1.023 115 V CA -0.157 62.152 62.300 0.014 0.000 0.857 115 V CB 1.602 33.422 31.823 -0.004 0.000 0.985 115 V HN 0.339 nan 8.190 nan 0.000 0.443 116 T N -0.325 114.279 114.554 0.084 0.000 3.003 116 T HA 0.119 4.469 4.350 0.000 0.000 0.261 116 T C 0.515 175.370 174.700 0.258 0.000 1.003 116 T CA -0.328 61.868 62.100 0.160 0.000 0.917 116 T CB -0.074 68.866 68.868 0.119 0.000 1.084 116 T HN 0.629 nan 8.240 nan 0.000 0.522 117 N N 1.511 120.297 118.700 0.143 0.000 2.509 117 N HA 0.160 4.900 4.740 0.000 0.000 0.287 117 N C -0.599 174.886 175.510 -0.041 0.000 1.121 117 N CA -0.593 52.472 53.050 0.025 0.000 0.977 117 N CB 1.492 39.965 38.487 -0.023 0.000 1.167 117 N HN 0.335 nan 8.380 nan 0.000 0.476 118 Q N 0.696 120.257 119.800 -0.399 0.000 2.313 118 Q HA 0.063 4.403 4.340 0.000 0.000 0.266 118 Q C -1.055 174.839 176.000 -0.178 0.000 0.989 118 Q CA 0.079 55.574 55.803 -0.512 0.000 0.890 118 Q CB 0.346 28.534 28.738 -0.916 0.000 1.200 118 Q HN 0.646 nan 8.270 nan 0.000 0.396 119 N N 4.852 123.524 118.700 -0.047 0.000 2.747 119 N HA 0.103 4.843 4.740 0.000 0.000 0.262 119 N C -0.972 174.554 175.510 0.026 0.000 1.261 119 N CA -0.176 52.866 53.050 -0.013 0.000 0.809 119 N CB 0.701 39.190 38.487 0.003 0.000 1.450 119 N HN 0.725 nan 8.380 nan 0.000 0.560 120 L N 0.981 122.213 121.223 0.016 0.000 2.682 120 L HA 0.207 4.547 4.340 0.000 0.000 0.240 120 L C 0.447 177.335 176.870 0.030 0.000 1.178 120 L CA 0.203 55.065 54.840 0.036 0.000 0.970 120 L CB -0.352 41.726 42.059 0.033 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 0.026 0.000 2.654 121 S HA 0.312 4.782 4.470 0.000 0.000 0.283 121 S C -1.718 172.902 174.600 0.033 0.000 1.180 121 S CA -0.928 57.287 58.200 0.025 0.000 1.021 121 S CB 1.218 64.431 63.200 0.020 0.000 1.018 121 S HN 0.030 nan 8.310 nan 0.000 0.532 122 P HA 0.055 nan 4.420 nan 0.000 0.269 122 P C 0.488 177.820 177.300 0.055 0.000 1.461 122 P CA -0.037 63.080 63.100 0.029 0.000 0.809 122 P CB -0.941 30.767 31.700 0.013 0.000 1.503 123 V N -2.194 117.756 119.914 0.060 0.000 3.923 123 V HA 0.023 4.143 4.120 0.000 0.000 0.292 123 V C 1.746 177.913 176.094 0.121 0.000 1.070 123 V CA 0.230 62.576 62.300 0.077 0.000 1.103 123 V CB -0.079 31.777 31.823 0.056 0.000 1.175 123 V HN -0.105 nan 8.190 nan 0.000 0.471 124 E N 0.147 120.424 120.200 0.128 0.000 2.338 124 E HA -0.137 4.213 4.350 0.000 0.000 0.197 124 E C 1.691 178.393 176.600 0.170 0.000 1.007 124 E CA 1.178 57.683 56.400 0.174 0.000 0.849 124 E CB -0.454 29.314 29.700 0.114 0.000 0.774 124 E HN 0.840 nan 8.360 nan 0.000 0.506 125 D N 0.161 120.618 120.400 0.095 0.000 2.149 125 D HA -0.155 4.485 4.640 0.000 0.000 0.194 125 D C 1.788 178.069 176.300 -0.032 0.000 1.001 125 D CA 2.180 56.194 54.000 0.023 0.000 0.849 125 D CB -0.361 40.442 40.800 0.005 0.000 0.939 125 D HN 0.335 nan 8.370 nan 0.000 0.449 126 T N -3.700 110.898 114.554 0.073 0.000 3.092 126 T HA 0.047 4.397 4.350 0.000 0.000 0.258 126 T C 0.534 175.491 174.700 0.428 0.000 1.031 126 T CA -0.455 61.727 62.100 0.138 0.000 0.925 126 T CB -0.596 68.327 68.868 0.092 0.000 1.036 126 T HN 0.218 nan 8.240 nan 0.000 0.544 127 H N 1.642 120.887 119.070 0.292 0.000 3.330 127 H HA 0.288 4.844 4.556 0.000 0.000 0.260 127 H C 1.373 176.882 175.328 0.302 0.000 1.439 127 H CA -0.823 55.373 56.048 0.247 0.000 1.540 127 H CB 0.081 29.936 29.762 0.156 0.000 1.698 127 H HN 0.077 nan 8.280 nan 0.000 0.516 128 L N 4.101 125.570 121.223 0.410 0.000 2.013 128 L HA -0.232 4.108 4.340 0.000 0.000 0.212 128 L C 1.629 178.587 176.870 0.147 0.000 1.073 128 L CA 1.693 56.559 54.840 0.044 0.000 0.753 128 L CB -0.432 41.534 42.059 -0.155 0.000 0.890 128 L HN 0.680 nan 8.230 nan 0.000 0.432 129 L N -0.800 120.558 121.223 0.226 0.000 2.056 129 L HA -0.197 4.143 4.340 0.000 0.000 0.207 129 L C 2.275 179.128 176.870 -0.028 0.000 1.078 129 L CA 1.109 55.960 54.840 0.018 0.000 0.749 129 L CB -0.610 41.458 42.059 0.014 0.000 0.901 129 L HN 0.356 nan 8.230 nan 0.000 0.433 130 N N -0.711 117.928 118.700 -0.102 0.000 2.188 130 N HA -0.239 4.501 4.740 0.000 0.000 0.184 130 N C 1.672 177.159 175.510 -0.038 0.000 1.018 130 N CA 1.152 54.054 53.050 -0.248 0.000 0.858 130 N CB -0.352 37.744 38.487 -0.652 0.000 0.989 130 N HN 0.353 nan 8.380 nan 0.000 0.426 131 Y N 1.280 121.572 120.300 -0.013 0.000 2.181 131 Y HA -0.063 4.487 4.550 0.000 0.000 0.288 131 Y C 1.927 177.857 175.900 0.049 0.000 1.146 131 Y CA 1.391 59.515 58.100 0.040 0.000 1.164 131 Y CB -0.453 38.105 38.460 0.163 0.000 0.982 131 Y HN -0.008 nan 8.280 nan 0.000 0.515 132 L N -0.044 121.045 121.223 -0.224 0.000 2.141 132 L HA -0.132 4.208 4.340 0.000 0.000 0.209 132 L C 2.743 179.692 176.870 0.132 0.000 1.094 132 L CA 1.618 56.342 54.840 -0.193 0.000 0.763 132 L CB -0.437 41.553 42.059 -0.115 0.000 0.908 132 L HN 0.161 nan 8.230 nan 0.000 0.437 133 R N -0.411 120.144 120.500 0.092 0.000 2.140 133 R HA -0.076 4.264 4.340 0.000 0.000 0.213 133 R C 2.086 178.657 176.300 0.452 0.000 1.059 133 R CA 1.569 57.826 56.100 0.262 0.000 1.000 133 R CB 0.194 30.488 30.300 -0.010 0.000 0.910 133 R HN 0.395 nan 8.270 nan 0.000 0.455 134 T N -3.742 110.878 114.554 0.109 0.000 2.959 134 T HA 0.110 4.460 4.350 0.000 0.000 0.254 134 T C 0.421 174.741 174.700 -0.635 0.000 1.003 134 T CA 0.273 62.311 62.100 -0.103 0.000 0.950 134 T CB 0.254 69.075 68.868 -0.080 0.000 1.090 134 T HN 0.271 nan 8.240 nan 0.000 0.503 135 N N 1.542 119.839 118.700 -0.672 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 -0.256 0.000 1.108 135 N CA 0.764 53.390 53.050 -0.707 0.000 0.745 135 N CB -1.828 35.882 38.487 -1.294 0.000 1.104 135 N HN 0.874 nan 8.380 nan 0.000 0.557 136 S N -0.883 114.758 115.700 -0.099 0.000 2.573 136 S HA 0.468 4.938 4.470 0.000 0.000 0.277 136 S C -2.318 172.359 174.600 0.128 0.000 1.346 136 S CA -0.980 57.225 58.200 0.010 0.000 1.034 136 S CB 0.883 64.096 63.200 0.023 0.000 0.879 136 S HN 0.150 nan 8.310 nan 0.000 0.528 137 P HA 0.243 nan 4.420 nan 0.000 0.268 137 P C -0.241 177.115 177.300 0.093 0.000 1.204 137 P CA 0.009 63.162 63.100 0.087 0.000 0.768 137 P CB 0.719 32.447 31.700 0.046 0.000 0.842 138 S N 1.656 117.384 115.700 0.046 0.000 2.727 138 S HA 0.405 4.875 4.470 0.000 0.000 0.278 138 S C 0.662 175.128 174.600 -0.223 0.000 1.186 138 S CA -0.759 57.401 58.200 -0.067 0.000 0.836 138 S CB 0.262 63.471 63.200 0.016 0.000 1.186 138 S HN 0.340 nan 8.310 nan 0.000 0.499 139 I N -1.335 118.944 120.570 -0.485 0.000 3.684 139 I HA 0.441 4.611 4.170 0.000 0.000 0.304 139 I C -0.735 175.028 176.117 -0.589 0.000 1.278 139 I CA -0.231 60.769 61.300 -0.501 0.000 1.272 139 I CB -0.496 37.180 38.000 -0.539 0.000 1.029 139 I HN 0.278 nan 8.210 nan 0.000 0.458 140 F N 1.242 120.997 119.950 -0.326 0.000 2.379 140 F HA 0.590 5.117 4.527 0.000 0.000 0.332 140 F C 0.218 175.845 175.800 -0.288 0.000 1.096 140 F CA -0.937 56.823 58.000 -0.400 0.000 1.105 140 F CB 1.213 39.728 39.000 -0.809 0.000 1.189 140 F HN -0.340 nan 8.300 nan 0.000 0.515 141 V N 2.047 122.029 119.914 0.113 0.000 2.483 141 V HA 0.357 4.478 4.120 0.000 0.000 0.297 141 V C -0.435 175.784 176.094 0.209 0.000 1.027 141 V CA -0.803 61.571 62.300 0.124 0.000 0.855 141 V CB 1.700 33.572 31.823 0.081 0.000 0.995 141 V HN 0.833 nan 8.190 nan 0.000 0.424 142 S N 3.265 119.078 115.700 0.189 0.000 2.610 142 S HA 0.761 5.231 4.470 0.000 0.000 0.273 142 S C 0.239 174.866 174.600 0.045 0.000 1.274 142 S CA -0.514 57.784 58.200 0.164 0.000 1.023 142 S CB 1.544 64.820 63.200 0.127 0.000 0.962 142 S HN 0.985 nan 8.310 nan 0.000 0.523 143 T N -1.357 113.248 114.554 0.085 0.000 2.864 143 T HA 0.715 5.065 4.350 0.000 0.000 0.299 143 T C -0.604 174.104 174.700 0.013 0.000 1.166 143 T CA -0.778 61.339 62.100 0.028 0.000 1.007 143 T CB 1.808 70.731 68.868 0.092 0.000 1.219 143 T HN 0.468 nan 8.240 nan 0.000 0.506 144 T N 0.117 114.673 114.554 0.004 0.000 2.907 144 T HA 0.553 4.904 4.350 0.000 0.000 0.292 144 T C -0.584 174.138 174.700 0.037 0.000 1.043 144 T CA -0.867 61.234 62.100 0.003 0.000 1.003 144 T CB 1.068 69.950 68.868 0.023 0.000 1.084 144 T HN 0.701 nan 8.240 nan 0.000 0.483 145 R N 1.907 122.434 120.500 0.045 0.000 2.490 145 R HA 0.576 4.917 4.340 0.000 0.000 0.280 145 R C 0.403 176.735 176.300 0.053 0.000 1.077 145 R CA -0.549 55.582 56.100 0.052 0.000 1.065 145 R CB 0.532 30.867 30.300 0.058 0.000 1.003 145 R HN 0.715 nan 8.270 nan 0.000 0.470 146 A N 3.371 126.218 122.820 0.045 0.000 2.445 146 A HA 0.161 4.481 4.320 0.000 0.000 0.242 146 A C -0.003 177.552 177.584 -0.048 0.000 1.075 146 A CA -0.035 51.994 52.037 -0.013 0.000 0.777 146 A CB 0.351 19.381 19.000 0.051 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 4.918 4.340 0.000 0.000 0.301 147 R C -1.718 174.273 176.300 -0.516 0.000 0.962 147 R CA -0.240 55.745 56.100 -0.192 0.000 0.882 147 R CB 1.494 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 0.724 121.056 120.300 0.052 0.000 2.545 148 Y HA 0.242 4.792 4.550 0.000 0.000 0.348 148 Y C 0.330 176.256 175.900 0.043 0.000 1.002 148 Y CA -1.166 56.964 58.100 0.050 0.000 1.039 148 Y CB 1.473 39.962 38.460 0.048 0.000 1.271 148 Y HN 0.664 nan 8.280 nan 0.000 0.467 149 N N 0.080 118.889 118.700 0.182 0.000 2.418 149 N HA 0.091 4.831 4.740 0.000 0.000 0.283 149 N C 0.173 175.753 175.510 0.118 0.000 1.267 149 N CA -0.403 52.716 53.050 0.116 0.000 0.975 149 N CB 0.313 38.849 38.487 0.081 0.000 1.167 149 N HN 0.535 nan 8.380 nan 0.000 0.581 150 N N -0.451 118.296 118.700 0.079 0.000 2.364 150 N HA -0.058 4.682 4.740 0.000 0.000 0.183 150 N C 1.138 176.683 175.510 0.059 0.000 1.022 150 N CA 0.697 53.785 53.050 0.063 0.000 0.883 150 N CB -0.322 38.192 38.487 0.046 0.000 0.965 150 N HN 0.524 nan 8.380 nan 0.000 0.438 151 L N -0.455 120.807 121.223 0.066 0.000 2.599 151 L HA 0.166 4.506 4.340 0.000 0.000 0.230 151 L C 1.143 178.056 176.870 0.070 0.000 1.141 151 L CA 0.138 55.014 54.840 0.059 0.000 0.877 151 L CB -0.432 41.662 42.059 0.058 0.000 1.009 151 L HN 0.166 nan 8.230 nan 0.000 0.447 152 G N 0.691 109.549 108.800 0.097 0.000 2.143 152 G HA2 -0.272 3.688 3.960 0.000 0.000 0.248 152 G HA3 -0.272 3.688 3.960 0.000 0.000 0.248 152 G C 0.129 175.161 174.900 0.219 0.000 0.991 152 G CA -0.114 45.044 45.100 0.097 0.000 0.689 152 G HN 0.248 nan 8.290 nan 0.000 0.522 153 L N 0.181 121.549 121.223 0.241 0.000 2.334 153 L HA 0.460 4.800 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 -0.747 54.240 54.840 0.245 0.000 0.804 153 L CB 1.330 43.469 42.059 0.133 0.000 1.174 153 L HN 0.269 nan 8.230 nan 0.000 0.438 154 E N 3.393 123.705 120.200 0.187 0.000 2.376 154 E HA 0.255 4.605 4.350 0.000 0.000 0.266 154 E C -0.753 175.794 176.600 -0.088 0.000 1.009 154 E CA -0.210 56.092 56.400 -0.163 0.000 0.902 154 E CB 0.791 30.395 29.700 -0.159 0.000 0.972 154 E HN 0.444 nan 8.360 nan 0.000 0.439 155 I N -0.077 120.404 120.570 -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 -0.051 0.000 1.016 155 I CB 1.766 39.755 38.000 -0.018 0.000 1.227 155 I HN 0.197 nan 8.210 nan 0.000 0.456 156 T N 4.185 118.741 114.554 0.003 0.000 2.866 156 T HA 0.138 4.488 4.350 0.000 0.000 0.293 156 T C -2.128 172.603 174.700 0.051 0.000 1.005 156 T CA -0.187 61.933 62.100 0.034 0.000 1.162 156 T CB -0.435 68.442 68.868 0.016 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 -0.487 176.952 177.300 0.231 0.000 1.292 157 P CA -1.109 62.098 63.100 0.180 0.000 0.800 157 P CB 0.701 32.545 31.700 0.240 0.000 1.188 158 W N 1.038 122.393 121.300 0.091 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 0.029 0.000 1.283 158 W CB 0.001 29.473 29.460 0.020 0.000 1.253 158 W HN 0.164 nan 8.180 nan 0.000 0.563 159 T N 8.535 122.658 114.554 -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 -1.397 60.095 62.100 -1.013 0.000 0.986 159 T CB 1.739 70.204 68.868 -0.671 0.000 1.021 159 T HN 0.129 nan 8.240 nan 0.000 0.458 160 P HA 0.228 nan 4.420 nan 0.000 0.271 160 P C 0.382 177.249 177.300 -0.722 0.000 1.218 160 P CA -0.120 62.363 63.100 -1.028 0.000 0.780 160 P CB 0.466 31.803 31.700 -0.604 0.000 0.901 161 H N 0.180 118.960 119.070 -0.483 0.000 2.421 161 H HA -0.109 4.447 4.556 0.000 0.000 0.298 161 H C 1.642 176.823 175.328 -0.246 0.000 1.087 161 H CA 1.640 57.487 56.048 -0.335 0.000 1.330 161 H CB 0.055 29.676 29.762 -0.235 0.000 1.388 161 H HN 0.427 nan 8.280 nan 0.000 0.526 162 S N 0.096 115.748 115.700 -0.081 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 -0.049 0.000 0.920 162 S CB 0.284 63.512 63.200 0.047 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 -0.268 0.000 1.986 163 A HA -0.154 4.166 4.320 0.000 0.000 0.220 163 A C 1.972 179.427 177.584 -0.215 0.000 1.171 163 A CA 1.727 53.556 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 -0.510 118.092 118.700 -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 -0.041 0.000 1.134 164 N CA -0.132 52.862 53.050 -0.094 0.000 0.878 164 N CB 0.003 38.438 38.487 -0.088 0.000 0.972 164 N HN 0.587 nan 8.380 nan 0.000 0.456 165 N N 0.832 119.511 118.700 -0.036 0.000 2.419 165 N HA 0.237 4.977 4.740 0.000 0.000 0.277 165 N C -0.504 175.010 175.510 0.007 0.000 1.006 165 N CA -0.529 52.515 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 0.298 119.001 118.700 0.004 0.000 1.220 166 N HA -0.261 4.479 4.740 0.000 0.000 0.114 166 N C -1.017 174.489 175.510 -0.006 0.000 0.835 166 N CA 0.898 53.940 53.050 -0.012 0.000 0.863 166 N CB -0.473 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 0.967 121.521 120.570 -0.028 0.000 2.339 167 I HA 0.571 4.741 4.170 0.000 0.000 0.290 167 I C -0.429 175.706 176.117 0.031 0.000 0.994 167 I CA -0.354 60.926 61.300 -0.033 0.000 1.191 167 I CB 1.015 38.945 38.000 -0.118 0.000 1.343 167 I HN 0.322 nan 8.210 nan 0.000 0.458 168 I N 5.702 126.288 120.570 0.026 0.000 2.894 168 I HA 0.455 4.625 4.170 0.000 0.000 0.302 168 I C -1.536 174.607 176.117 0.044 0.000 1.188 168 I CA -0.556 60.839 61.300 0.159 0.000 1.014 168 I CB 2.529 40.695 38.000 0.277 0.000 1.242 168 I HN 0.359 nan 8.210 nan 0.000 0.430 169 Y N 4.674 125.195 120.300 0.369 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 0.096 0.000 1.021 169 Y CA -0.676 57.512 58.100 0.146 0.000 1.079 169 Y CB 1.614 39.977 38.460 -0.161 0.000 1.226 169 Y HN 0.334 nan 8.280 nan 0.000 0.460 170 R N 3.064 123.541 120.500 -0.039 0.000 2.310 170 R HA 0.351 4.691 4.340 0.000 0.000 0.316 170 R C -1.780 174.291 176.300 -0.382 0.000 1.004 170 R CA -0.584 55.255 56.100 -0.436 0.000 0.900 170 R CB 0.339 30.201 30.300 -0.729 0.000 1.152 170 R HN 0.714 nan 8.270 nan 0.000 0.513 171 Y N 1.486 121.718 120.300 -0.113 0.000 2.309 171 Y HA 0.108 4.658 4.550 0.000 0.000 0.327 171 Y C 0.633 176.450 175.900 -0.139 0.000 1.172 171 Y CA 0.033 58.120 58.100 -0.021 0.000 1.280 171 Y CB 0.978 39.582 38.460 0.240 0.000 1.234 171 Y HN 0.434 nan 8.280 nan 0.000 0.512 172 E N 4.146 124.344 120.200 -0.004 0.000 2.133 172 E HA 0.515 4.865 4.350 0.000 0.000 0.274 172 E C -1.495 175.042 176.600 -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 30.223 29.700 -0.206 0.000 1.104 172 E HN 0.615 nan 8.360 nan 0.000 0.403 173 I N 3.926 124.361 120.570 -0.225 0.000 2.689 173 I HA 0.405 4.575 4.170 0.000 0.000 0.299 173 I C -1.111 174.785 176.117 -0.368 0.000 1.059 173 I CA -0.867 60.359 61.300 -0.122 0.000 1.055 173 I CB 1.600 39.569 38.000 -0.051 0.000 1.243 173 I HN 0.478 nan 8.210 nan 0.000 0.425 174 F N 4.210 124.314 119.950 0.257 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 0.253 0.000 1.168 174 F CA -0.394 57.779 58.000 0.288 0.000 1.045 174 F CB 1.729 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 4.009 126.940 122.820 0.184 0.000 2.469 175 A HA 0.974 5.294 4.320 0.000 0.000 0.299 175 A C -2.974 174.545 177.584 -0.109 0.000 1.098 175 A CA -1.910 49.998 52.037 -0.216 0.000 0.737 175 A CB 2.085 20.870 19.000 -0.358 0.000 1.312 175 A HN 0.275 nan 8.150 nan 0.000 0.414 176 P HA 0.486 nan 4.420 nan 0.000 0.282 176 P C 0.677 177.994 177.300 0.028 0.000 1.249 176 P CA 1.374 64.403 63.100 -0.118 0.000 0.806 176 P CB 1.192 32.778 31.700 -0.191 0.000 0.984 177 G N 1.209 110.042 108.800 0.054 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 -0.038 174.800 174.900 -0.104 0.000 1.277 177 G CA 0.383 45.508 45.100 0.040 0.000 0.910 177 G HN 1.250 nan 8.290 nan 0.000 0.576 178 G N -1.948 106.646 108.800 -0.344 0.000 2.712 178 G HA2 0.344 4.304 3.960 0.000 0.000 0.686 178 G HA3 0.344 4.304 3.960 0.000 0.000 0.686 178 G C -0.433 174.299 174.900 -0.280 0.000 1.181 178 G CA -0.015 44.574 45.100 -0.851 0.000 0.762 178 G HN 1.591 nan 8.290 nan 0.000 0.641 179 I N 1.463 121.909 120.570 -0.207 0.000 2.342 179 I HA 0.209 4.379 4.170 0.000 0.000 0.291 179 I C 0.135 176.223 176.117 -0.048 0.000 1.010 179 I CA -0.506 60.769 61.300 -0.042 0.000 1.308 179 I CB 1.499 39.512 38.000 0.021 0.000 1.400 179 I HN 0.494 nan 8.210 nan 0.000 0.488 180 D N 7.617 128.026 120.400 0.015 0.000 2.402 180 D HA 0.088 4.728 4.640 0.000 0.000 0.235 180 D C 1.150 177.472 176.300 0.036 0.000 1.226 180 D CA -0.221 53.809 54.000 0.050 0.000 0.918 180 D CB 0.787 41.678 40.800 0.152 0.000 1.043 180 D HN 0.313 nan 8.370 nan 0.000 0.506 181 I N 3.494 124.095 120.570 0.052 0.000 2.127 181 I HA -0.288 3.883 4.170 0.000 0.000 0.241 181 I C 1.766 177.976 176.117 0.156 0.000 1.075 181 I CA 0.909 62.290 61.300 0.136 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 1.126 119.876 118.700 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 0.010 0.000 1.016 182 N CA 1.411 54.499 53.050 0.063 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 -0.754 122.034 122.820 -0.054 0.000 2.218 183 A HA 0.178 4.498 4.320 0.000 0.000 0.209 183 A C 1.927 179.417 177.584 -0.156 0.000 1.168 183 A CA 0.408 52.346 52.037 -0.165 0.000 0.804 183 A CB 0.072 18.846 19.000 -0.377 0.000 0.834 183 A HN 0.156 nan 8.150 nan 0.000 0.482 184 S N -0.987 114.603 115.700 -0.183 0.000 2.503 184 S HA 0.364 4.834 4.470 0.000 0.000 0.215 184 S C -0.295 173.871 174.600 -0.724 0.000 1.003 184 S CA 0.066 57.989 58.200 -0.462 0.000 0.910 184 S CB -0.046 62.743 63.200 -0.686 0.000 0.790 184 S HN 0.416 nan 8.310 nan 0.000 0.514 185 F N 1.299 121.236 119.950 -0.022 0.000 2.551 185 F HA 0.448 4.975 4.527 0.000 0.000 0.316 185 F C 0.355 176.162 175.800 0.012 0.000 1.089 185 F CA -1.183 56.811 58.000 -0.011 0.000 0.915 185 F CB 1.240 40.235 39.000 -0.010 0.000 1.186 185 F HN -0.289 nan 8.300 nan 0.000 0.456 186 S N 2.850 118.693 115.700 0.238 0.000 2.525 186 S HA 0.062 4.532 4.470 0.000 0.000 0.285 186 S C 1.483 176.197 174.600 0.191 0.000 1.283 186 S CA -0.423 57.895 58.200 0.197 0.000 1.072 186 S CB 0.436 63.799 63.200 0.271 0.000 0.867 186 S HN 0.623 nan 8.310 nan 0.000 0.492 187 R N 2.818 123.380 120.500 0.104 0.000 2.234 187 R HA -0.241 4.099 4.340 0.000 0.000 0.262 187 R C 0.897 177.190 176.300 -0.012 0.000 1.150 187 R CA 1.766 57.893 56.100 0.045 0.000 0.981 187 R CB -0.388 29.925 30.300 0.022 0.000 0.899 187 R HN 0.555 nan 8.270 nan 0.000 0.458 188 N N -0.326 118.350 118.700 -0.039 0.000 2.398 188 N HA -0.027 4.713 4.740 0.000 0.000 0.188 188 N C 0.251 175.473 175.510 -0.481 0.000 1.122 188 N CA 0.765 53.677 53.050 -0.230 0.000 0.866 188 N CB 0.293 38.633 38.487 -0.246 0.000 0.970 188 N HN 0.453 nan 8.380 nan 0.000 0.462 189 H N -1.885 117.186 119.070 0.003 0.000 2.923 189 H HA 0.231 4.787 4.556 0.000 0.000 0.268 189 H C -0.250 174.974 175.328 -0.173 0.000 1.148 189 H CA -0.386 55.645 56.048 -0.029 0.000 1.146 189 H CB 0.349 30.153 29.762 0.071 0.000 1.607 189 H HN -0.039 nan 8.280 nan 0.000 0.566 190 N N 1.973 120.621 118.700 -0.088 0.000 2.439 190 N HA 0.089 4.829 4.740 0.000 0.000 0.249 190 N C -1.852 173.467 175.510 -0.318 0.000 1.003 190 N CA -2.274 50.658 53.050 -0.198 0.000 0.942 190 N CB 1.435 39.928 38.487 0.009 0.000 1.115 190 N HN -0.054 nan 8.380 nan 0.000 0.505 191 P HA -0.081 nan 4.420 nan 0.000 0.214 191 P C -0.603 176.097 177.300 -1.000 0.000 1.169 191 P CA 1.560 64.195 63.100 -0.774 0.000 0.908 191 P CB 0.081 31.330 31.700 -0.752 0.000 0.791 192 F N -2.322 117.536 119.950 -0.153 0.000 2.810 192 F HA 0.316 4.844 4.527 0.000 0.000 0.373 192 F C -1.759 173.972 175.800 -0.116 0.000 1.174 192 F CA -2.023 55.892 58.000 -0.143 0.000 1.141 192 F CB 1.180 40.056 39.000 -0.207 0.000 1.420 192 F HN -0.073 nan 8.300 nan 0.000 0.518 193 P HA -0.069 nan 4.420 nan 0.000 0.222 193 P C 0.876 178.203 177.300 0.044 0.000 1.153 193 P CA 1.005 64.126 63.100 0.035 0.000 0.798 193 P CB 0.411 32.125 31.700 0.023 0.000 0.796 194 N N 0.668 119.415 118.700 0.079 0.000 2.348 194 N HA -0.179 4.561 4.740 0.000 0.000 0.185 194 N C 1.688 177.271 175.510 0.121 0.000 1.019 194 N CA 0.958 54.077 53.050 0.116 0.000 0.880 194 N CB -0.620 37.962 38.487 0.157 0.000 0.965 194 N HN 0.425 nan 8.380 nan 0.000 0.437 195 E N 0.802 120.955 120.200 -0.078 0.000 2.358 195 E HA -0.087 4.263 4.350 0.000 0.000 0.195 195 E C -0.691 175.771 176.600 -0.230 0.000 1.010 195 E CA 0.007 56.136 56.400 -0.453 0.000 0.856 195 E CB 0.120 29.327 29.700 -0.822 0.000 0.795 195 E HN 0.136 nan 8.360 nan 0.000 0.504 196 D N 2.085 122.437 120.400 -0.080 0.000 2.802 196 D HA -0.211 4.429 4.640 0.000 0.000 0.229 196 D C -0.582 175.689 176.300 -0.049 0.000 1.203 196 D CA 0.848 54.831 54.000 -0.028 0.000 0.712 196 D CB -0.929 39.881 40.800 0.017 0.000 0.973 196 D HN 0.442 nan 8.370 nan 0.000 0.407 197 Q N -0.086 119.674 119.800 -0.067 0.000 2.293 197 Q HA 0.363 4.703 4.340 0.000 0.000 0.251 197 Q C 0.268 176.273 176.000 0.007 0.000 0.930 197 Q CA -0.443 55.330 55.803 -0.050 0.000 0.893 197 Q CB 1.152 29.854 28.738 -0.060 0.000 1.215 197 Q HN 0.215 nan 8.270 nan 0.000 0.425 198 I N 2.774 123.367 120.570 0.038 0.000 2.355 198 I HA 0.229 4.399 4.170 0.000 0.000 0.288 198 I C -0.048 176.085 176.117 0.026 0.000 0.999 198 I CA -0.356 60.950 61.300 0.010 0.000 1.163 198 I CB 1.157 39.189 38.000 0.054 0.000 1.316 198 I HN 0.450 nan 8.210 nan 0.000 0.454 199 T N 6.873 121.385 114.554 -0.070 0.000 2.837 199 T HA 0.546 4.896 4.350 0.000 0.000 0.285 199 T C -0.363 174.240 174.700 -0.161 0.000 0.984 199 T CA -0.077 62.035 62.100 0.020 0.000 1.049 199 T CB 0.525 69.415 68.868 0.037 0.000 0.947 199 T HN 0.135 nan 8.240 nan 0.000 0.472 200 F N 4.236 124.244 119.950 0.096 0.000 2.366 200 F HA 0.352 4.880 4.527 0.000 0.000 0.366 200 F C -2.220 173.612 175.800 0.053 0.000 1.096 200 F CA -2.649 55.383 58.000 0.054 0.000 1.060 200 F CB 1.413 40.414 39.000 0.003 0.000 1.282 200 F HN 0.288 nan 8.300 nan 0.000 0.450 201 P HA 0.215 nan 4.420 nan 0.000 0.271 201 P C 0.768 177.954 177.300 -0.189 0.000 1.233 201 P CA 0.554 63.640 63.100 -0.024 0.000 0.764 201 P CB 1.005 32.672 31.700 -0.054 0.000 0.825 202 G N 2.378 111.023 108.800 -0.258 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 0.210 45.135 45.100 -0.291 0.000 0.641 202 G HN 0.986 nan 8.290 nan 0.000 0.527 203 G N -0.884 107.898 108.800 -0.030 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 0.024 0.000 1.353 203 G CA -0.065 45.053 45.100 0.030 0.000 0.872 203 G HN 1.409 nan 8.290 nan 0.000 0.557 204 I N 0.484 121.074 120.570 0.034 0.000 2.499 204 I HA 0.407 4.577 4.170 0.000 0.000 0.288 204 I C 0.719 176.892 176.117 0.093 0.000 1.048 204 I CA -0.832 60.487 61.300 0.032 0.000 1.062 204 I CB 1.980 39.949 38.000 -0.051 0.000 1.238 204 I HN 0.515 nan 8.210 nan 0.000 0.426 205 R N 6.257 126.864 120.500 0.178 0.000 2.641 205 R HA 0.180 4.520 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 -1.287 54.830 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 0.656 177.827 177.300 -0.215 0.000 1.148 206 P CA 1.319 64.295 63.100 -0.207 0.000 0.803 206 P CB 0.088 31.663 31.700 -0.208 0.000 0.782 207 E N -0.397 119.589 120.200 -0.357 0.000 2.409 207 E HA -0.133 4.217 4.350 0.000 0.000 0.198 207 E C 0.786 177.128 176.600 -0.429 0.000 1.024 207 E CA 0.807 56.938 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 -0.393 57.740 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 0.386 121.149 120.570 0.322 0.000 2.330 209 I HA 0.284 4.455 4.170 0.000 0.000 0.286 209 I C 1.340 177.451 176.117 -0.012 0.000 1.025 209 I CA -0.373 61.025 61.300 0.164 0.000 1.197 209 I CB 1.643 39.700 38.000 0.095 0.000 1.358 209 I HN -0.018 nan 8.210 nan 0.000 0.467 210 R N 4.033 124.397 120.500 -0.227 0.000 2.080 210 R HA 0.024 4.364 4.340 0.000 0.000 0.222 210 R C 0.567 176.682 176.300 -0.308 0.000 1.107 210 R CA 1.150 56.881 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 -2.552 113.094 115.700 -0.090 0.000 2.703 211 S HA 0.393 4.863 4.470 0.000 0.000 0.273 211 S C -0.878 173.832 174.600 0.182 0.000 1.178 211 S CA -0.758 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 0.235 114.867 114.554 0.131 0.000 2.942 212 T HA 0.589 4.939 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 61.614 62.100 -0.165 0.000 1.055 212 T CB 0.916 69.339 68.868 -0.742 0.000 1.261 212 T HN 0.520 nan 8.240 nan 0.000 0.485 213 Y N 2.186 122.396 120.300 -0.149 0.000 2.330 213 Y HA 0.492 5.042 4.550 0.000 0.000 0.336 213 Y C 0.587 176.356 175.900 -0.218 0.000 1.036 213 Y CA -1.596 56.360 58.100 -0.239 0.000 1.125 213 Y CB 1.312 39.498 38.460 -0.456 0.000 1.194 213 Y HN 0.629 nan 8.280 nan 0.000 0.469 214 E N 3.620 123.805 120.200 -0.025 0.000 2.109 214 E HA 0.312 4.662 4.350 0.000 0.000 0.278 214 E C -1.750 174.675 176.600 -0.292 0.000 0.954 214 E CA -0.399 55.909 56.400 -0.154 0.000 0.779 214 E CB 0.519 30.310 29.700 0.152 0.000 1.093 214 E HN 0.532 nan 8.360 nan 0.000 0.401 215 Y N 2.356 122.598 120.300 -0.097 0.000 2.387 215 Y HA 0.325 4.875 4.550 0.000 0.000 0.336 215 Y C -0.127 175.874 175.900 0.168 0.000 1.067 215 Y CA -0.542 57.566 58.100 0.013 0.000 1.114 215 Y CB 1.603 40.118 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 -0.506 174.860 175.328 0.064 0.000 0.986 216 H CA -1.123 54.958 56.048 0.054 0.000 1.251 216 H CB 0.897 30.675 29.762 0.027 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 0.367 53.465 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 -0.357 174.656 174.900 0.188 0.000 0.977 218 G CA 0.480 45.607 45.100 0.045 0.000 0.652 218 G HN 0.425 nan 8.290 nan 0.000 0.531 219 E N -0.042 120.306 120.200 0.248 0.000 2.199 219 E HA 0.534 4.885 4.350 0.000 0.000 0.269 219 E C 0.579 177.250 176.600 0.119 0.000 0.899 219 E CA -0.868 55.644 56.400 0.186 0.000 0.772 219 E CB 1.494 31.236 29.700 0.071 0.000 1.155 219 E HN 0.367 nan 8.360 nan 0.000 0.408 220 I N 2.470 122.998 120.570 -0.070 0.000 2.533 220 I HA -0.053 4.117 4.170 0.000 0.000 0.284 220 I C 1.515 177.450 176.117 -0.304 0.000 1.109 220 I CA 0.020 61.077 61.300 -0.405 0.000 1.412 220 I CB 0.415 38.068 38.000 -0.578 0.000 1.396 220 I HN 0.349 nan 8.210 nan 0.000 0.543 221 V N 2.779 122.477 119.914 -0.359 0.000 3.604 221 V HA 0.417 4.537 4.120 0.000 0.000 0.277 221 V C 0.449 176.361 176.094 -0.303 0.000 1.399 221 V CA -0.094 62.002 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 -0.292 120.024 120.500 -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 2.030 32.117 30.300 -0.355 0.000 1.258 222 R HN 0.291 nan 8.270 nan 0.000 0.465 223 I N 2.814 123.209 120.570 -0.291 0.000 2.389 223 I HA 0.400 4.570 4.170 0.000 0.000 0.288 223 I C -1.033 174.951 176.117 -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 39.423 38.000 -0.047 0.000 1.288 223 I HN 0.471 nan 8.210 nan 0.000 0.444 224 W N 7.006 128.302 121.300 -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 1.212 30.722 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 0.122 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 1.313 38.952 38.000 -0.602 0.000 1.341 225 I HN 0.391 nan 8.210 nan 0.000 0.455 226 N N 8.543 127.095 118.700 -0.247 0.000 2.469 226 N HA 0.296 5.036 4.740 0.000 0.000 0.239 226 N C -1.997 173.519 175.510 0.009 0.000 1.053 226 N CA -2.065 50.727 53.050 -0.429 0.000 0.937 226 N CB 1.421 39.289 38.487 -1.032 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 0.068 177.478 177.300 0.184 0.000 1.147 227 P CA 0.916 64.183 63.100 0.278 0.000 0.790 227 P CB 0.308 32.212 31.700 0.339 0.000 0.780 228 N N -1.058 117.725 118.700 0.137 0.000 2.314 228 N HA 0.019 4.759 4.740 0.000 0.000 0.200 228 N C 0.160 175.678 175.510 0.013 0.000 1.135 228 N CA -0.151 52.938 53.050 0.066 0.000 0.835 228 N CB -0.472 38.055 38.487 0.067 0.000 0.989 228 N HN 0.159 nan 8.380 nan 0.000 0.478 229 F N 1.657 121.552 119.950 -0.091 0.000 2.607 229 F HA -0.040 4.487 4.527 0.000 0.000 0.374 229 F C 1.690 177.450 175.800 -0.066 0.000 1.104 229 F CA -0.726 57.216 58.000 -0.096 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 3.941 123.968 120.570 -0.906 0.000 2.290 230 I HA -0.311 3.859 4.170 0.000 0.000 0.253 230 I C 0.825 176.612 176.117 -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 36.701 38.000 -0.588 0.000 1.060 230 I HN 0.709 nan 8.210 nan 0.000 0.428 231 N N -0.368 117.886 118.700 -0.744 0.000 2.804 231 N HA 0.237 4.977 4.740 0.000 0.000 0.251 231 N C -2.071 173.480 175.510 0.068 0.000 1.250 231 N CA -1.280 51.638 53.050 -0.220 0.000 0.820 231 N CB 1.056 39.468 38.487 -0.125 0.000 1.156 231 N HN -0.100 nan 8.380 nan 0.000 0.512 232 P HA -0.128 nan 4.420 nan 0.000 0.225 232 P C 1.119 178.497 177.300 0.130 0.000 1.148 232 P CA 0.920 64.107 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 -1.263 114.488 115.700 0.085 0.000 2.481 233 S HA -0.084 4.386 4.470 0.000 0.000 0.231 233 S C 1.674 176.321 174.600 0.078 0.000 0.996 233 S CA 1.406 59.646 58.200 0.067 0.000 0.942 233 S CB -1.742 61.480 63.200 0.036 0.000 0.768 233 S HN 0.316 nan 8.310 nan 0.000 0.520 234 T N -0.364 114.254 114.554 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 -0.125 62.025 62.100 0.083 0.000 1.012 234 T CB -0.632 68.275 68.868 0.065 0.000 0.977 234 T HN 0.354 nan 8.240 nan 0.000 0.527 235 L N 1.067 122.368 121.223 0.130 0.000 2.129 235 L HA -0.118 4.222 4.340 0.000 0.000 0.212 235 L C 2.271 179.204 176.870 0.106 0.000 1.087 235 L CA 1.602 56.515 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 -0.473 118.294 118.700 0.112 0.000 2.512 236 N HA -0.129 4.611 4.740 0.000 0.000 0.183 236 N C 0.865 176.417 175.510 0.070 0.000 1.073 236 N CA 0.445 53.555 53.050 0.100 0.000 0.911 236 N CB 0.085 38.627 38.487 0.092 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 -0.010 176.324 176.300 0.058 0.000 1.004 237 D CA 0.245 54.275 54.000 0.050 0.000 0.880 237 D CB 0.147 40.967 40.800 0.034 0.000 0.911 237 D HN -0.017 nan 8.370 nan 0.000 0.528 238 V N 2.228 122.170 119.914 0.046 0.000 2.493 238 V HA 0.023 4.144 4.120 0.000 0.000 0.292 238 V C 0.897 177.036 176.094 0.076 0.000 1.016 238 V CA -0.112 62.216 62.300 0.047 0.000 1.097 238 V CB 0.527 32.352 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 0.112 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 -0.044 58.233 58.200 0.129 0.000 1.008 239 S CB 2.096 65.381 63.200 0.141 0.000 1.026 239 S HN 1.408 nan 8.310 nan 0.000 0.541 240 G N -0.002 108.858 108.800 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 -3.434 171.437 174.900 -0.050 0.000 1.413 240 G CA -0.957 44.140 45.100 -0.005 0.000 0.817 240 G HN 0.661 nan 8.290 nan 0.000 0.546 241 P HA 0.358 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 -0.244 62.806 63.100 -0.083 0.000 0.793 241 P CB 0.475 32.104 31.700 -0.117 0.000 0.984 242 S N 0.292 115.965 115.700 -0.046 0.000 2.586 242 S HA 0.281 4.751 4.470 0.000 0.000 0.274 242 S C 0.424 174.996 174.600 -0.047 0.000 1.281 242 S CA -0.443 57.735 58.200 -0.035 0.000 1.035 242 S CB 0.311 63.500 63.200 -0.018 0.000 0.962 242 S HN 0.550 nan 8.310 nan 0.000 0.512 243 N N -0.412 118.263 118.700 -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 0.552 53.575 53.050 -0.045 0.000 0.711 243 N CB -1.671 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 0.329 120.844 120.570 -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 -0.605 60.618 61.300 -0.129 0.000 1.221 244 I CB 1.534 39.428 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 -0.046 4.424 4.470 0.000 0.000 0.308 245 S C -0.176 174.290 174.600 -0.223 0.000 1.246 245 S CA 0.207 58.308 58.200 -0.166 0.000 1.077 245 S CB -0.103 62.982 63.200 -0.191 0.000 0.814 245 S HN 0.532 nan 8.310 nan 0.000 0.503 246 K N 4.774 125.066 120.400 -0.180 0.000 2.358 246 K HA 0.589 4.909 4.320 0.000 0.000 0.260 246 K C -1.515 174.949 176.600 -0.226 0.000 0.956 246 K CA -0.746 55.414 56.287 -0.212 0.000 0.834 246 K CB 1.166 33.598 32.500 -0.113 0.000 1.102 246 K HN 0.466 nan 8.250 nan 0.000 0.431 247 V N 5.174 124.842 119.914 -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 -0.837 61.264 62.300 -0.333 0.000 0.888 247 V CB 1.394 32.729 31.823 -0.813 0.000 0.995 247 V HN 0.628 nan 8.190 nan 0.000 0.429 248 F N 3.099 123.116 119.950 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 0.665 39.784 39.000 0.199 0.000 1.133 248 F HN 0.614 nan 8.300 nan 0.000 0.495 249 W N 5.824 127.381 121.300 0.429 0.000 2.150 249 W HA 0.351 5.011 4.660 0.000 0.000 0.341 249 W C -0.421 176.344 176.519 0.409 0.000 1.276 249 W CA 0.154 57.768 57.345 0.449 0.000 1.238 249 W CB 0.345 30.144 29.460 0.566 0.000 1.128 249 W HN 0.639 nan 8.180 nan 0.000 0.581 250 H N 0.591 119.218 119.070 -0.740 0.000 3.037 250 H HA 0.387 4.943 4.556 0.000 0.000 0.355 250 H C -1.029 173.295 175.328 -1.674 0.000 1.263 250 H CA -1.269 54.189 56.048 -0.984 0.000 1.129 250 H CB 0.675 30.254 29.762 -0.306 0.000 1.861 250 H HN 0.482 nan 8.280 nan 0.000 0.546 251 E N 0.815 120.393 120.200 -1.038 0.000 2.568 251 E HA -0.098 4.252 4.350 0.000 0.000 0.262 251 E C -0.316 176.177 176.600 -0.179 0.000 0.961 251 E CA 0.860 56.977 56.400 -0.472 0.000 0.945 251 E CB -0.024 29.616 29.700 -0.100 0.000 0.924 251 E HN 0.828 nan 8.360 nan 0.000 0.467 252 N N 1.262 119.939 118.700 -0.039 0.000 2.725 252 N HA -0.240 4.500 4.740 0.000 0.000 0.249 252 N C -0.322 175.178 175.510 -0.018 0.000 1.103 252 N CA 0.114 53.175 53.050 0.019 0.000 0.707 252 N CB -0.957 37.551 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 4.598 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 0.899 30.469 29.762 -0.320 0.000 1.405 253 H HN 0.382 nan 8.280 nan 0.000 0.593 254 S N 2.908 118.602 115.700 -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 59.888 58.200 0.141 0.000 0.982 254 S CB 0.045 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 0.363 120.919 120.200 0.594 0.000 2.501 255 E HA 0.288 4.638 4.350 0.000 0.000 0.200 255 E C 1.157 178.082 176.600 0.542 0.000 1.016 255 E CA 0.081 56.782 56.400 0.503 0.000 0.921 255 E CB 0.421 30.399 29.700 0.463 0.000 1.034 255 E HN 0.626 nan 8.360 nan 0.000 0.468 256 G N 0.352 109.362 108.800 0.350 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 0.599 175.443 174.900 -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 -0.012 118.721 118.700 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 5.239 123.660 118.700 -0.464 0.000 2.527 271 N HA 0.160 4.900 4.740 0.000 0.000 0.236 271 N C 0.590 175.648 175.510 -0.752 0.000 0.999 271 N CA -0.039 52.761 53.050 -0.416 0.000 0.935 271 N CB 1.252 39.685 38.487 -0.089 0.000 1.132 271 N HN 0.890 nan 8.380 nan 0.000 0.511 272 Q N 1.228 120.546 119.800 -0.804 0.000 2.364 272 Q HA -0.099 4.241 4.340 0.000 0.000 0.209 272 Q C -0.615 175.346 176.000 -0.065 0.000 0.977 272 Q CA 1.182 56.700 55.803 -0.474 0.000 0.885 272 Q CB 0.161 28.848 28.738 -0.085 0.000 0.941 272 Q HN 0.377 nan 8.270 nan 0.000 0.464 273 D N -0.242 120.144 120.400 -0.023 0.000 2.363 273 D HA 0.068 4.708 4.640 0.000 0.000 0.214 273 D C 0.795 177.170 176.300 0.126 0.000 1.093 273 D CA -0.242 53.807 54.000 0.082 0.000 0.837 273 D CB -0.151 40.710 40.800 0.101 0.000 0.948 273 D HN 0.164 nan 8.370 nan 0.000 0.507 274 F N 1.744 121.689 119.950 -0.008 0.000 2.126 274 F HA -0.160 4.367 4.527 0.000 0.000 0.299 274 F C 0.967 176.849 175.800 0.137 0.000 1.096 274 F CA 1.155 59.184 58.000 0.050 0.000 1.255 274 F CB 0.265 39.281 39.000 0.027 0.000 0.997 274 F HN -0.185 nan 8.300 nan 0.000 0.479 278 A N 5.344 127.666 122.820 -0.830 0.000 1.896 278 A HA -0.090 4.230 4.320 0.000 0.000 0.220 278 A C -1.048 176.075 177.584 -0.768 0.000 1.206 278 A CA 2.462 54.017 52.037 -0.803 0.000 0.647 278 A CB -1.869 16.635 19.000 -0.826 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 0.257 177.294 177.300 -0.439 0.000 1.151 279 P CA 0.902 63.514 63.100 -0.814 0.000 0.770 279 P CB -0.190 30.977 31.700 -0.888 0.000 0.786 280 N N -0.635 117.790 118.700 -0.459 0.000 2.370 280 N HA 0.172 4.912 4.740 0.000 0.000 0.198 280 N C 0.963 176.063 175.510 -0.683 0.000 1.156 280 N CA 0.423 53.255 53.050 -0.364 0.000 0.839 280 N CB 0.267 38.513 38.487 -0.402 0.000 0.989 280 N HN 0.152 nan 8.380 nan 0.000 0.468 281 G N -0.436 107.790 108.800 -0.957 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 -1.709 172.430 174.900 -1.268 0.000 1.292 281 G CA -0.638 43.468 45.100 -1.656 0.000 0.811 281 G HN 0.151 nan 8.290 nan 0.000 0.482 282 E N -1.859 117.456 120.200 -1.476 0.000 2.421 282 E HA 0.291 4.642 4.350 0.000 0.000 0.278 282 E C -1.627 174.585 176.600 -0.647 0.000 1.141 282 E CA -0.985 54.968 56.400 -0.746 0.000 0.880 282 E CB 0.824 30.346 29.700 -0.297 0.000 1.381 282 E HN 0.442 nan 8.360 nan 0.000 0.436 283 I N 2.514 122.954 120.570 -0.217 0.000 2.308 283 I HA 0.177 4.347 4.170 0.000 0.000 0.293 283 I C -1.426 174.622 176.117 -0.115 0.000 1.078 283 I CA -1.867 59.370 61.300 -0.104 0.000 1.292 283 I CB 0.844 38.862 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 -0.459 176.802 177.300 -0.065 0.000 1.150 284 P CA 1.279 64.311 63.100 -0.114 0.000 0.814 284 P CB 0.068 31.686 31.700 -0.137 0.000 0.787 285 N N -2.726 115.947 118.700 -0.045 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 37.866 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 -1.004 174.511 175.510 0.008 0.000 1.199 286 N CA -0.306 52.748 53.050 0.007 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 0.706 119.409 118.700 0.005 0.000 2.444 287 N HA 0.150 4.890 4.740 0.000 0.000 0.255 287 N C 0.422 175.941 175.510 0.014 0.000 1.255 287 N CA -0.055 53.000 53.050 0.009 0.000 0.933 287 N CB 1.175 39.665 38.487 0.005 0.000 1.143 287 N HN 0.122 nan 8.380 nan 0.000 0.453 288 L N 1.090 122.325 121.223 0.020 0.000 2.453 288 L HA 0.054 4.394 4.340 0.000 0.000 0.272 288 L C 0.767 177.655 176.870 0.030 0.000 1.182 288 L CA -0.433 54.423 54.840 0.026 0.000 0.858 288 L CB 0.269 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 4.743 125.987 121.223 0.036 0.000 2.648 289 L HA 0.136 4.476 4.340 0.000 0.000 0.238 289 L C 0.646 177.551 176.870 0.058 0.000 1.316 289 L CA 0.309 55.183 54.840 0.056 0.000 1.241 289 L CB -0.878 41.223 42.059 0.069 0.000 1.499 289 L HN 0.694 nan 8.230 nan 0.000 0.411 290 N N -1.338 117.387 118.700 0.042 0.000 2.200 290 N HA 0.085 4.825 4.740 0.000 0.000 0.224 290 N C -0.213 175.306 175.510 0.016 0.000 1.179 290 N CA -0.386 52.683 53.050 0.032 0.000 0.877 290 N CB -0.114 38.393 38.487 0.033 0.000 1.072 290 N HN 0.406 nan 8.380 nan 0.000 0.519 291 N N -0.182 118.528 118.700 0.016 0.000 2.813 291 N HA 0.275 5.015 4.740 0.000 0.000 0.320 291 N C -0.185 175.319 175.510 -0.010 0.000 1.315 291 N CA -0.825 52.227 53.050 0.003 0.000 0.871 291 N CB -0.067 38.426 38.487 0.011 0.000 1.241 291 N HN -0.118 nan 8.380 nan 0.000 0.602 292 N N -1.614 117.077 118.700 -0.015 0.000 2.398 292 N HA 0.036 4.776 4.740 0.000 0.000 0.188 292 N C -0.253 175.279 175.510 0.038 0.000 1.122 292 N CA -0.006 53.024 53.050 -0.034 0.000 0.866 292 N CB 0.089 38.550 38.487 -0.044 0.000 0.970 292 N HN 0.629 nan 8.380 nan 0.000 0.462 293 S N -0.083 115.661 115.700 0.074 0.000 2.758 293 S HA 0.403 4.873 4.470 0.000 0.000 0.292 293 S C 0.442 175.147 174.600 0.175 0.000 1.131 293 S CA -0.854 57.418 58.200 0.120 0.000 0.997 293 S CB 0.931 64.160 63.200 0.049 0.000 1.111 293 S HN 0.102 nan 8.310 nan 0.000 0.552 294 L N -1.181 120.090 121.223 0.080 0.000 2.741 294 L HA 0.545 4.885 4.340 0.000 0.000 0.237 294 L C 0.253 177.121 176.870 -0.003 0.000 1.178 294 L CA -0.279 54.575 54.840 0.024 0.000 0.973 294 L CB -1.845 40.043 42.059 -0.285 0.000 1.255 294 L HN 0.875 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 -0.636 174.840 175.510 -0.055 0.000 1.107 295 N CA 0.419 53.461 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 -0.081 0.000 2.487 296 V HA 0.411 4.531 4.120 0.000 0.000 0.298 296 V C 0.617 176.664 176.094 -0.078 0.000 1.028 296 V CA -0.671 61.566 62.300 -0.105 0.000 0.860 296 V CB 1.841 33.565 31.823 -0.165 0.000 0.991 296 V HN 0.114 nan 8.190 nan 0.000 0.427 297 I N 4.841 125.369 120.570 -0.068 0.000 2.683 297 I HA 0.056 4.226 4.170 0.000 0.000 0.286 297 I C 0.866 176.950 176.117 -0.055 0.000 1.175 297 I CA 0.256 61.524 61.300 -0.053 0.000 1.429 297 I CB 0.335 38.306 38.000 -0.049 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 28.722 28.738 -0.026 0.000 1.108 298 Q HN 0.000 nan 8.270 nan 0.000 0.481