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 3eki_1_A DATA FIRST_RESID 39 DATA SEQUENCE QGQWDKSITF GVSEAWLNKK KGGEKVNKEV INTFLENFKK EFNKLKNAND DATA SEQUENCE KTKNFDDVDF KVTPIQDFTV LLNNLSTDNP ELDFGINASG KLVEFLKNNP DATA SEQUENCE GIITPALETT TNSFVFDKEK DKFYVDGTDS DPLVKIAKEI NKIFVETPYA DATA SEQUENCE SWTDENHKWN GNVYQSVYDP TVQANFYRGM IWIKGNDETL AKIKKAWNDK DATA SEQUENCE DWNTFRNFGI LHGKDNSSSK FKLEETILKN HFQNKFTTLN EDRSAHPNAY DATA SEQUENCE KQKSADTLGT LDDFHIAFSE EGSFAWTHNK SATKPFETKA NEKMEALIVT DATA SEQUENCE NPIPYDVGVF RKSVNQLEQN LIVQTFINLA KNKQDTYGPL LGYNGYKKID DATA SEQUENCE NFQKEIVEVY EKAIK 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 39 Q HA 0.000 nan 4.340 nan 0.000 0.214 39 Q C 0.000 176.015 176.000 0.024 0.000 1.003 39 Q CA 0.000 55.826 55.803 0.039 0.000 1.022 39 Q CB 0.000 28.776 28.738 0.064 0.000 1.108 40 G N 0.970 109.786 108.800 0.027 0.000 2.707 40 G HA2 -0.125 3.835 3.960 0.000 0.000 0.686 40 G HA3 -0.125 3.835 3.960 0.000 0.000 0.686 40 G C -1.210 173.708 174.900 0.030 0.000 1.315 40 G CA -0.255 44.852 45.100 0.011 0.000 0.832 40 G HN 0.225 nan 8.290 nan 0.000 0.573 41 Q N -0.253 119.559 119.800 0.020 0.000 2.267 41 Q HA 0.265 4.605 4.340 0.000 0.000 0.255 41 Q C 0.316 176.330 176.000 0.024 0.000 0.923 41 Q CA -0.623 55.213 55.803 0.055 0.000 0.925 41 Q CB 1.771 30.538 28.738 0.048 0.000 1.195 41 Q HN 0.616 nan 8.270 nan 0.000 0.417 42 W N 3.701 124.919 121.300 -0.136 0.000 2.264 42 W HA -0.001 4.659 4.660 0.000 0.000 0.331 42 W C -0.769 175.676 176.519 -0.124 0.000 1.364 42 W CA 0.618 57.820 57.345 -0.239 0.000 1.253 42 W CB 0.783 30.006 29.460 -0.395 0.000 1.215 42 W HN 0.617 nan 8.180 nan 0.000 0.561 43 D N 5.600 125.696 120.400 -0.507 0.000 2.425 43 D HA 0.089 4.729 4.640 0.000 0.000 0.240 43 D C 0.984 177.054 176.300 -0.383 0.000 1.080 43 D CA -0.340 53.475 54.000 -0.308 0.000 0.836 43 D CB 1.318 41.942 40.800 -0.292 0.000 1.125 43 D HN 0.486 nan 8.370 nan 0.000 0.525 44 K N 1.269 121.600 120.400 -0.115 0.000 2.525 44 K HA 0.055 4.376 4.320 0.000 0.000 0.192 44 K C 0.277 176.741 176.600 -0.227 0.000 1.029 44 K CA -0.122 56.127 56.287 -0.063 0.000 1.029 44 K CB 0.285 32.839 32.500 0.091 0.000 0.814 44 K HN 0.090 nan 8.250 nan 0.000 0.503 45 S N 1.187 116.707 115.700 -0.299 0.000 2.707 45 S HA 0.438 4.909 4.470 0.000 0.000 0.303 45 S C -0.971 173.355 174.600 -0.457 0.000 1.132 45 S CA -0.955 57.031 58.200 -0.356 0.000 1.046 45 S CB 0.684 63.755 63.200 -0.215 0.000 1.004 45 S HN 0.194 nan 8.310 nan 0.000 0.483 46 I N 4.425 124.574 120.570 -0.701 0.000 2.378 46 I HA 0.359 4.529 4.170 0.000 0.000 0.291 46 I C -0.048 175.746 176.117 -0.539 0.000 0.992 46 I CA -0.326 60.591 61.300 -0.638 0.000 1.154 46 I CB 1.676 39.127 38.000 -0.916 0.000 1.315 46 I HN 0.556 nan 8.210 nan 0.000 0.448 47 T N 6.693 121.073 114.554 -0.289 0.000 2.786 47 T HA 0.500 4.850 4.350 0.000 0.000 0.283 47 T C -0.328 174.392 174.700 0.033 0.000 0.992 47 T CA -0.322 61.665 62.100 -0.188 0.000 0.954 47 T CB 0.574 69.388 68.868 -0.090 0.000 0.934 47 T HN 0.045 nan 8.240 nan 0.000 0.440 48 F N 2.037 122.007 119.950 0.033 0.000 2.410 48 F HA 0.537 5.064 4.527 0.001 0.000 0.348 48 F C 1.223 177.038 175.800 0.025 0.000 1.106 48 F CA -1.602 56.450 58.000 0.088 0.000 1.163 48 F CB 0.512 39.577 39.000 0.108 0.000 1.129 48 F HN 0.601 nan 8.300 nan 0.000 0.516 49 G N 1.995 110.909 108.800 0.189 0.000 2.370 49 G HA2 0.521 4.481 3.960 0.000 0.000 0.272 49 G HA3 0.521 4.481 3.960 0.000 0.000 0.272 49 G C -0.839 174.095 174.900 0.057 0.000 1.208 49 G CA -0.431 44.714 45.100 0.075 0.000 0.856 49 G HN 0.735 nan 8.290 nan 0.000 0.500 50 V N -0.232 119.717 119.914 0.057 0.000 3.007 50 V HA 0.795 4.915 4.120 0.000 0.000 0.311 50 V C 0.293 176.446 176.094 0.098 0.000 1.120 50 V CA -1.037 61.295 62.300 0.054 0.000 0.980 50 V CB 1.429 33.265 31.823 0.021 0.000 1.033 50 V HN 0.850 nan 8.190 nan 0.000 0.429 51 S N 0.871 116.635 115.700 0.107 0.000 2.546 51 S HA 0.050 4.520 4.470 0.000 0.000 0.290 51 S C 1.031 175.757 174.600 0.211 0.000 1.290 51 S CA 0.872 59.156 58.200 0.141 0.000 1.069 51 S CB 0.328 63.614 63.200 0.143 0.000 0.846 51 S HN 1.087 nan 8.310 nan 0.000 0.495 52 E N 4.448 124.732 120.200 0.139 0.000 2.038 52 E HA -0.161 4.189 4.350 0.000 0.000 0.195 52 E C 2.162 178.836 176.600 0.123 0.000 1.000 52 E CA 1.385 57.854 56.400 0.114 0.000 0.803 52 E CB -0.434 29.309 29.700 0.070 0.000 0.750 52 E HN 0.888 nan 8.360 nan 0.000 0.448 53 A N 0.498 123.393 122.820 0.124 0.000 1.917 53 A HA -0.228 4.092 4.320 0.000 0.000 0.219 53 A C 1.912 179.584 177.584 0.148 0.000 1.182 53 A CA 1.694 53.800 52.037 0.115 0.000 0.633 53 A CB -1.257 17.812 19.000 0.115 0.000 0.819 53 A HN 0.706 nan 8.150 nan 0.000 0.448 54 W N -0.145 121.174 121.300 0.032 0.000 2.381 54 W HA -0.075 4.585 4.660 0.001 0.000 0.301 54 W C 1.740 178.285 176.519 0.042 0.000 1.205 54 W CA 1.595 58.963 57.345 0.038 0.000 1.285 54 W CB -0.281 29.209 29.460 0.050 0.000 1.133 54 W HN 0.273 nan 8.180 nan 0.000 0.521 55 L N 1.505 122.856 121.223 0.214 0.000 2.056 55 L HA -0.153 4.187 4.340 0.000 0.000 0.207 55 L C 1.439 178.246 176.870 -0.106 0.000 1.078 55 L CA 1.926 56.796 54.840 0.049 0.000 0.749 55 L CB -0.947 41.230 42.059 0.196 0.000 0.901 55 L HN -0.058 nan 8.230 nan 0.000 0.433 56 N N -0.521 118.155 118.700 -0.041 0.000 2.314 56 N HA 0.013 4.753 4.740 0.000 0.000 0.200 56 N C 0.184 175.647 175.510 -0.079 0.000 1.135 56 N CA 0.080 53.099 53.050 -0.051 0.000 0.835 56 N CB -0.018 38.464 38.487 -0.008 0.000 0.989 56 N HN 0.225 nan 8.380 nan 0.000 0.478 57 K N 2.067 122.382 120.400 -0.141 0.000 2.168 57 K HA 0.160 4.480 4.320 0.000 0.000 0.258 57 K C 0.241 176.756 176.600 -0.142 0.000 1.010 57 K CA -0.295 55.913 56.287 -0.133 0.000 0.929 57 K CB 0.685 33.082 32.500 -0.173 0.000 0.998 57 K HN 0.037 nan 8.250 nan 0.000 0.479 58 K N 0.977 121.324 120.400 -0.088 0.000 2.533 58 K HA 0.436 4.757 4.320 0.000 0.000 0.272 58 K C -1.358 175.215 176.600 -0.045 0.000 0.985 58 K CA -1.046 55.194 56.287 -0.079 0.000 0.876 58 K CB 1.555 34.022 32.500 -0.056 0.000 1.452 58 K HN 0.447 nan 8.250 nan 0.000 0.439 59 K N 0.138 120.514 120.400 -0.040 0.000 2.426 59 K HA 0.404 4.724 4.320 0.000 0.000 0.254 59 K C 0.070 176.662 176.600 -0.014 0.000 0.936 59 K CA -0.441 55.836 56.287 -0.017 0.000 0.801 59 K CB 1.734 34.225 32.500 -0.015 0.000 1.139 59 K HN 0.948 nan 8.250 nan 0.000 0.424 60 G N 1.651 110.450 108.800 -0.002 0.000 2.203 60 G HA2 -0.278 3.683 3.960 0.000 0.000 0.263 60 G HA3 -0.278 3.683 3.960 0.000 0.000 0.263 60 G C 0.822 175.718 174.900 -0.006 0.000 1.012 60 G CA 0.827 45.927 45.100 -0.001 0.000 0.749 60 G HN 1.229 nan 8.290 nan 0.000 0.512 61 G N -1.680 107.114 108.800 -0.010 0.000 2.179 61 G HA2 -0.243 3.717 3.960 0.000 0.000 0.260 61 G HA3 -0.243 3.717 3.960 0.000 0.000 0.260 61 G C 0.085 174.973 174.900 -0.019 0.000 0.977 61 G CA 0.861 45.953 45.100 -0.012 0.000 0.641 61 G HN 1.023 nan 8.290 nan 0.000 0.533 62 E N 0.542 120.727 120.200 -0.024 0.000 2.231 62 E HA 0.327 4.677 4.350 0.000 0.000 0.277 62 E C -0.046 176.523 176.600 -0.052 0.000 0.999 62 E CA -0.793 55.589 56.400 -0.031 0.000 0.827 62 E CB 1.040 30.724 29.700 -0.025 0.000 1.101 62 E HN 0.095 nan 8.360 nan 0.000 0.393 63 K N 2.771 123.137 120.400 -0.057 0.000 2.121 63 K HA 0.058 4.379 4.320 0.000 0.000 0.235 63 K C 1.306 177.842 176.600 -0.107 0.000 1.200 63 K CA 0.049 56.283 56.287 -0.088 0.000 1.115 63 K CB -0.219 32.239 32.500 -0.070 0.000 1.474 63 K HN 0.355 nan 8.250 nan 0.000 0.295 64 V N -0.582 119.256 119.914 -0.126 0.000 2.332 64 V HA -0.285 3.835 4.120 0.000 0.000 0.248 64 V C 1.591 177.585 176.094 -0.166 0.000 1.055 64 V CA 1.363 63.593 62.300 -0.116 0.000 1.038 64 V CB -0.418 31.344 31.823 -0.102 0.000 0.651 64 V HN 0.458 nan 8.190 nan 0.000 0.450 65 N N 0.967 119.464 118.700 -0.339 0.000 2.331 65 N HA -0.116 4.624 4.740 0.000 0.000 0.180 65 N C 1.838 177.180 175.510 -0.280 0.000 1.019 65 N CA 1.662 54.365 53.050 -0.577 0.000 0.881 65 N CB -0.405 37.196 38.487 -1.476 0.000 0.972 65 N HN 0.761 nan 8.380 nan 0.000 0.435 66 K N 1.624 121.919 120.400 -0.175 0.000 2.032 66 K HA -0.220 4.100 4.320 0.000 0.000 0.209 66 K C 1.807 178.417 176.600 0.016 0.000 1.048 66 K CA 1.656 57.916 56.287 -0.044 0.000 0.927 66 K CB -0.113 32.362 32.500 -0.041 0.000 0.712 66 K HN 0.067 nan 8.250 nan 0.000 0.441 67 E N 0.587 120.788 120.200 0.001 0.000 2.106 67 E HA -0.129 4.221 4.350 0.000 0.000 0.192 67 E C 1.899 178.551 176.600 0.086 0.000 0.984 67 E CA 1.253 57.674 56.400 0.035 0.000 0.806 67 E CB 0.012 29.721 29.700 0.016 0.000 0.750 67 E HN 0.202 nan 8.360 nan 0.000 0.458 68 V N 0.560 120.538 119.914 0.107 0.000 2.343 68 V HA -0.212 3.909 4.120 0.000 0.000 0.247 68 V C 2.318 178.583 176.094 0.285 0.000 1.051 68 V CA 1.603 64.026 62.300 0.206 0.000 1.036 68 V CB -0.416 31.574 31.823 0.279 0.000 0.654 68 V HN 0.369 nan 8.190 nan 0.000 0.451 69 I N 0.599 121.341 120.570 0.288 0.000 2.315 69 I HA -0.140 4.030 4.170 0.000 0.000 0.248 69 I C 2.137 178.399 176.117 0.242 0.000 1.117 69 I CA 1.364 62.833 61.300 0.282 0.000 1.404 69 I CB -0.558 37.595 38.000 0.255 0.000 1.071 69 I HN 0.284 nan 8.210 nan 0.000 0.419 70 N N -0.158 118.640 118.700 0.163 0.000 2.120 70 N HA -0.134 4.606 4.740 0.000 0.000 0.188 70 N C 1.814 177.397 175.510 0.121 0.000 1.024 70 N CA 1.875 54.994 53.050 0.116 0.000 0.852 70 N CB -0.661 37.870 38.487 0.074 0.000 1.003 70 N HN 0.343 nan 8.380 nan 0.000 0.424 71 T N 0.980 115.620 114.554 0.143 0.000 2.746 71 T HA -0.115 4.235 4.350 0.000 0.000 0.267 71 T C 1.647 176.444 174.700 0.162 0.000 1.039 71 T CA 0.783 62.962 62.100 0.132 0.000 1.142 71 T CB -0.434 68.517 68.868 0.138 0.000 0.866 71 T HN 0.242 nan 8.240 nan 0.000 0.444 72 F N 1.722 121.729 119.950 0.095 0.000 2.095 72 F HA -0.048 4.479 4.527 0.000 0.000 0.298 72 F C 1.890 177.735 175.800 0.075 0.000 1.104 72 F CA 1.197 59.262 58.000 0.109 0.000 1.232 72 F CB -0.510 38.579 39.000 0.148 0.000 0.987 72 F HN 0.047 nan 8.300 nan 0.000 0.475 73 L N 0.051 121.295 121.223 0.034 0.000 2.083 73 L HA -0.182 4.158 4.340 0.000 0.000 0.209 73 L C 2.444 179.243 176.870 -0.117 0.000 1.083 73 L CA 1.682 56.444 54.840 -0.129 0.000 0.752 73 L CB -0.722 41.343 42.059 0.010 0.000 0.899 73 L HN 0.212 nan 8.230 nan 0.000 0.433 74 E N 0.586 120.761 120.200 -0.042 0.000 2.047 74 E HA -0.201 4.149 4.350 0.000 0.000 0.191 74 E C 1.925 178.484 176.600 -0.069 0.000 0.987 74 E CA 1.405 57.789 56.400 -0.027 0.000 0.799 74 E CB -0.022 29.681 29.700 0.005 0.000 0.752 74 E HN 0.294 nan 8.360 nan 0.000 0.449 75 N N -0.309 118.333 118.700 -0.097 0.000 2.166 75 N HA -0.150 4.590 4.740 0.000 0.000 0.186 75 N C 1.517 176.874 175.510 -0.255 0.000 1.019 75 N CA 1.007 53.975 53.050 -0.136 0.000 0.856 75 N CB -0.496 37.930 38.487 -0.101 0.000 0.993 75 N HN 0.204 nan 8.380 nan 0.000 0.426 76 F N 1.925 121.549 119.950 -0.544 0.000 2.113 76 F HA -0.103 4.425 4.527 0.000 0.000 0.297 76 F C 2.343 177.779 175.800 -0.606 0.000 1.103 76 F CA 1.389 58.939 58.000 -0.749 0.000 1.248 76 F CB -0.130 38.158 39.000 -1.187 0.000 0.999 76 F HN -0.063 nan 8.300 nan 0.000 0.475 77 K N 0.151 120.435 120.400 -0.194 0.000 2.063 77 K HA -0.205 4.115 4.320 0.000 0.000 0.208 77 K C 2.079 178.728 176.600 0.082 0.000 1.048 77 K CA 1.392 57.718 56.287 0.064 0.000 0.928 77 K CB -0.005 32.607 32.500 0.186 0.000 0.713 77 K HN 0.042 nan 8.250 nan 0.000 0.442 78 K N 0.852 121.243 120.400 -0.015 0.000 2.057 78 K HA -0.166 4.155 4.320 0.000 0.000 0.206 78 K C 2.078 178.652 176.600 -0.044 0.000 1.050 78 K CA 1.547 57.829 56.287 -0.009 0.000 0.935 78 K CB -0.300 32.181 32.500 -0.031 0.000 0.715 78 K HN 0.253 nan 8.250 nan 0.000 0.439 79 E N 0.628 120.744 120.200 -0.140 0.000 2.072 79 E HA -0.135 4.215 4.350 0.000 0.000 0.191 79 E C 1.877 178.386 176.600 -0.153 0.000 0.985 79 E CA 0.831 57.122 56.400 -0.180 0.000 0.801 79 E CB -0.379 29.142 29.700 -0.298 0.000 0.750 79 E HN 0.209 nan 8.360 nan 0.000 0.452 80 F N 1.253 121.020 119.950 -0.306 0.000 2.069 80 F HA -0.212 4.316 4.527 0.001 0.000 0.298 80 F C 1.862 177.675 175.800 0.022 0.000 1.113 80 F CA 2.036 59.944 58.000 -0.153 0.000 1.214 80 F CB -0.345 38.626 39.000 -0.048 0.000 0.978 80 F HN 0.066 nan 8.300 nan 0.000 0.474 81 N N 0.632 119.458 118.700 0.210 0.000 2.331 81 N HA -0.164 4.577 4.740 0.000 0.000 0.180 81 N C 1.928 177.430 175.510 -0.013 0.000 1.019 81 N CA 0.842 53.974 53.050 0.137 0.000 0.881 81 N CB -0.376 38.264 38.487 0.255 0.000 0.972 81 N HN 0.429 nan 8.380 nan 0.000 0.435 82 K N 1.540 121.920 120.400 -0.033 0.000 2.026 82 K HA -0.073 4.247 4.320 0.000 0.000 0.208 82 K C 2.042 178.587 176.600 -0.092 0.000 1.048 82 K CA 0.804 57.058 56.287 -0.055 0.000 0.929 82 K CB -0.107 32.361 32.500 -0.055 0.000 0.713 82 K HN 0.098 nan 8.250 nan 0.000 0.439 83 L N 1.149 122.282 121.223 -0.149 0.000 2.046 83 L HA -0.200 4.141 4.340 0.000 0.000 0.208 83 L C 2.837 179.604 176.870 -0.171 0.000 1.077 83 L CA 1.492 56.235 54.840 -0.162 0.000 0.747 83 L CB -0.563 41.371 42.059 -0.209 0.000 0.896 83 L HN 0.314 nan 8.230 nan 0.000 0.432 84 K N 0.379 120.616 120.400 -0.272 0.000 2.032 84 K HA -0.205 4.116 4.320 0.000 0.000 0.209 84 K C 1.662 178.219 176.600 -0.073 0.000 1.048 84 K CA 1.752 57.922 56.287 -0.194 0.000 0.927 84 K CB -0.037 32.332 32.500 -0.218 0.000 0.712 84 K HN 0.314 nan 8.250 nan 0.000 0.441 85 N N 0.178 118.843 118.700 -0.058 0.000 2.463 85 N HA -0.011 4.729 4.740 0.000 0.000 0.181 85 N C 1.060 176.546 175.510 -0.040 0.000 1.078 85 N CA 0.702 53.731 53.050 -0.035 0.000 0.902 85 N CB 0.364 38.843 38.487 -0.013 0.000 0.970 85 N HN 0.264 nan 8.380 nan 0.000 0.451 86 A N -0.003 122.789 122.820 -0.047 0.000 2.238 86 A HA 0.095 4.415 4.320 0.000 0.000 0.208 86 A C 0.364 177.927 177.584 -0.036 0.000 1.177 86 A CA 0.246 52.259 52.037 -0.040 0.000 0.804 86 A CB 0.077 19.051 19.000 -0.043 0.000 0.823 86 A HN 0.069 nan 8.150 nan 0.000 0.482 87 N N 0.046 118.723 118.700 -0.037 0.000 2.399 87 N HA 0.173 4.914 4.740 0.000 0.000 0.284 87 N C -0.912 174.579 175.510 -0.032 0.000 1.025 87 N CA -0.448 52.586 53.050 -0.028 0.000 0.885 87 N CB 1.775 40.251 38.487 -0.019 0.000 1.339 87 N HN -0.039 nan 8.380 nan 0.000 0.487 88 D N 1.589 121.969 120.400 -0.034 0.000 2.158 88 D HA -0.139 4.502 4.640 0.000 0.000 0.197 88 D C 1.262 177.527 176.300 -0.058 0.000 0.995 88 D CA 1.506 55.476 54.000 -0.050 0.000 0.846 88 D CB 0.352 41.126 40.800 -0.043 0.000 0.941 88 D HN 0.510 nan 8.370 nan 0.000 0.456 89 K N -0.604 119.784 120.400 -0.021 0.000 2.209 89 K HA -0.072 4.248 4.320 0.000 0.000 0.204 89 K C 1.605 178.225 176.600 0.033 0.000 1.048 89 K CA 1.551 57.843 56.287 0.008 0.000 0.940 89 K CB 0.034 32.564 32.500 0.051 0.000 0.729 89 K HN 0.277 nan 8.250 nan 0.000 0.451 90 T N -2.401 112.168 114.554 0.024 0.000 3.016 90 T HA 0.107 4.457 4.350 0.000 0.000 0.271 90 T C 1.319 175.991 174.700 -0.046 0.000 0.968 90 T CA -0.503 61.650 62.100 0.088 0.000 0.891 90 T CB 0.195 69.144 68.868 0.135 0.000 1.149 90 T HN 0.179 nan 8.240 nan 0.000 0.524 91 K N 1.777 122.122 120.400 -0.091 0.000 2.283 91 K HA 0.048 4.368 4.320 0.000 0.000 0.202 91 K C 1.362 177.875 176.600 -0.144 0.000 1.048 91 K CA 0.977 57.209 56.287 -0.092 0.000 0.948 91 K CB -0.294 32.161 32.500 -0.075 0.000 0.742 91 K HN 0.132 nan 8.250 nan 0.000 0.458 92 N N 0.200 118.744 118.700 -0.260 0.000 2.412 92 N HA 0.073 4.813 4.740 0.000 0.000 0.184 92 N C -0.230 175.037 175.510 -0.404 0.000 1.101 92 N CA 0.261 53.124 53.050 -0.311 0.000 0.881 92 N CB 0.004 38.281 38.487 -0.351 0.000 0.969 92 N HN 0.065 nan 8.380 nan 0.000 0.459 93 F N 1.645 121.312 119.950 -0.471 0.000 2.435 93 F HA 0.089 4.616 4.527 0.000 0.000 0.316 93 F C 1.203 176.782 175.800 -0.368 0.000 1.220 93 F CA -0.463 57.118 58.000 -0.698 0.000 1.241 93 F CB 0.313 38.211 39.000 -1.837 0.000 1.234 93 F HN -0.182 nan 8.300 nan 0.000 0.569 94 D N 0.874 121.285 120.400 0.019 0.000 2.443 94 D HA 0.018 4.658 4.640 0.000 0.000 0.239 94 D C -0.382 176.132 176.300 0.356 0.000 1.136 94 D CA 0.048 54.156 54.000 0.180 0.000 0.879 94 D CB 0.279 41.211 40.800 0.220 0.000 1.195 94 D HN 0.290 nan 8.370 nan 0.000 0.443 95 D N 0.180 120.729 120.400 0.250 0.000 2.400 95 D HA 0.094 4.734 4.640 0.000 0.000 0.238 95 D C -0.180 176.287 176.300 0.278 0.000 1.157 95 D CA 0.093 54.272 54.000 0.298 0.000 0.889 95 D CB 0.810 41.724 40.800 0.188 0.000 1.199 95 D HN -0.083 nan 8.370 nan 0.000 0.436 96 V N 1.694 121.769 119.914 0.270 0.000 2.513 96 V HA 0.211 4.332 4.120 0.000 0.000 0.299 96 V C -0.010 175.969 176.094 -0.191 0.000 1.035 96 V CA -0.840 61.413 62.300 -0.079 0.000 0.889 96 V CB 1.971 33.553 31.823 -0.402 0.000 0.988 96 V HN 0.431 nan 8.190 nan 0.000 0.440 97 D N 2.373 122.570 120.400 -0.339 0.000 2.175 97 D HA 0.552 5.193 4.640 0.000 0.000 0.248 97 D C -1.205 174.734 176.300 -0.603 0.000 1.047 97 D CA -0.032 53.805 54.000 -0.271 0.000 0.883 97 D CB 1.052 41.750 40.800 -0.169 0.000 1.180 97 D HN 0.243 nan 8.370 nan 0.000 0.438 98 F N 1.902 121.681 119.950 -0.285 0.000 2.520 98 F HA 0.494 5.021 4.527 0.000 0.000 0.322 98 F C 0.563 176.147 175.800 -0.360 0.000 1.103 98 F CA -0.720 57.004 58.000 -0.460 0.000 0.926 98 F CB 1.830 40.475 39.000 -0.592 0.000 1.154 98 F HN 0.053 nan 8.300 nan 0.000 0.453 99 K N 1.700 121.949 120.400 -0.253 0.000 2.466 99 K HA 0.863 5.184 4.320 0.000 0.000 0.260 99 K C -1.409 175.107 176.600 -0.141 0.000 1.011 99 K CA -1.202 54.993 56.287 -0.153 0.000 0.871 99 K CB 2.954 35.376 32.500 -0.130 0.000 1.404 99 K HN 0.396 nan 8.250 nan 0.000 0.450 100 V N -2.635 117.256 119.914 -0.037 0.000 3.001 100 V HA 0.760 4.881 4.120 0.000 0.000 0.314 100 V C -0.713 175.395 176.094 0.023 0.000 1.099 100 V CA -0.562 61.754 62.300 0.025 0.000 0.989 100 V CB 1.860 33.720 31.823 0.062 0.000 1.040 100 V HN 0.777 nan 8.190 nan 0.000 0.434 101 T N 3.171 117.751 114.554 0.043 0.000 2.916 101 T HA 0.639 4.990 4.350 0.000 0.000 0.298 101 T C -3.080 171.650 174.700 0.050 0.000 1.031 101 T CA -1.566 60.555 62.100 0.034 0.000 0.993 101 T CB 2.208 71.086 68.868 0.017 0.000 1.045 101 T HN 0.867 nan 8.240 nan 0.000 0.454 102 P HA 0.350 nan 4.420 nan 0.000 0.271 102 P C -0.976 176.349 177.300 0.042 0.000 1.216 102 P CA -0.433 62.704 63.100 0.062 0.000 0.771 102 P CB 0.508 32.242 31.700 0.057 0.000 0.864 103 I N 3.346 123.943 120.570 0.045 0.000 2.498 103 I HA 0.167 4.337 4.170 0.000 0.000 0.290 103 I C 1.445 177.577 176.117 0.026 0.000 1.032 103 I CA -0.883 60.429 61.300 0.020 0.000 1.073 103 I CB 1.725 39.727 38.000 0.003 0.000 1.251 103 I HN 0.256 nan 8.210 nan 0.000 0.426 104 Q N 2.983 122.788 119.800 0.009 0.000 2.084 104 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 104 Q C -0.333 175.679 176.000 0.020 0.000 0.978 104 Q CA 1.506 57.317 55.803 0.014 0.000 0.844 104 Q CB 0.067 28.804 28.738 -0.002 0.000 0.898 104 Q HN 0.857 nan 8.270 nan 0.000 0.426 105 D N -3.237 117.162 120.400 -0.001 0.000 2.738 105 D HA 0.028 4.669 4.640 0.000 0.000 0.308 105 D C -0.020 176.276 176.300 -0.007 0.000 1.311 105 D CA -0.668 53.349 54.000 0.028 0.000 0.799 105 D CB -0.473 40.342 40.800 0.026 0.000 1.332 105 D HN -0.004 nan 8.370 nan 0.000 0.441 106 F N -0.483 119.428 119.950 -0.064 0.000 2.234 106 F HA -0.035 4.492 4.527 0.000 0.000 0.299 106 F C 2.088 177.807 175.800 -0.135 0.000 1.087 106 F CA 1.753 59.688 58.000 -0.109 0.000 1.340 106 F CB -1.155 37.780 39.000 -0.108 0.000 1.031 106 F HN 0.427 nan 8.300 nan 0.000 0.500 107 T N -1.048 112.820 114.554 -1.142 0.000 2.746 107 T HA -0.169 4.182 4.350 0.000 0.000 0.267 107 T C 1.864 176.317 174.700 -0.411 0.000 1.039 107 T CA 1.651 63.229 62.100 -0.870 0.000 1.142 107 T CB -1.347 67.124 68.868 -0.661 0.000 0.866 107 T HN 0.235 nan 8.240 nan 0.000 0.444 108 V N 1.600 121.345 119.914 -0.281 0.000 2.407 108 V HA -0.062 4.058 4.120 0.000 0.000 0.248 108 V C 2.596 178.595 176.094 -0.158 0.000 1.055 108 V CA 1.617 63.818 62.300 -0.166 0.000 1.049 108 V CB -0.969 30.791 31.823 -0.105 0.000 0.662 108 V HN 0.408 nan 8.190 nan 0.000 0.455 109 L N -0.352 120.771 121.223 -0.168 0.000 1.994 109 L HA -0.130 4.210 4.340 0.000 0.000 0.208 109 L C 2.203 178.940 176.870 -0.223 0.000 1.071 109 L CA 1.962 56.709 54.840 -0.155 0.000 0.745 109 L CB -0.384 41.597 42.059 -0.130 0.000 0.892 109 L HN 0.192 nan 8.230 nan 0.000 0.431 110 L N -0.616 120.398 121.223 -0.348 0.000 2.109 110 L HA -0.140 4.200 4.340 0.000 0.000 0.207 110 L C 2.284 178.898 176.870 -0.425 0.000 1.086 110 L CA 0.855 55.342 54.840 -0.587 0.000 0.760 110 L CB -0.844 40.513 42.059 -1.170 0.000 0.910 110 L HN 0.338 nan 8.230 nan 0.000 0.437 111 N N 0.427 118.968 118.700 -0.265 0.000 2.120 111 N HA -0.159 4.582 4.740 0.000 0.000 0.188 111 N C 1.630 177.120 175.510 -0.034 0.000 1.024 111 N CA 1.214 54.233 53.050 -0.051 0.000 0.852 111 N CB -0.443 38.021 38.487 -0.040 0.000 1.003 111 N HN 0.275 nan 8.380 nan 0.000 0.424 112 N N 0.607 119.264 118.700 -0.072 0.000 2.216 112 N HA 0.050 4.790 4.740 0.000 0.000 0.183 112 N C 1.757 177.249 175.510 -0.029 0.000 1.017 112 N CA 0.325 53.350 53.050 -0.041 0.000 0.861 112 N CB -0.301 38.159 38.487 -0.045 0.000 0.986 112 N HN 0.221 nan 8.380 nan 0.000 0.428 113 L N 0.025 121.213 121.223 -0.057 0.000 2.131 113 L HA -0.074 4.267 4.340 0.000 0.000 0.210 113 L C 1.800 178.679 176.870 0.015 0.000 1.092 113 L CA 0.801 55.623 54.840 -0.030 0.000 0.759 113 L CB -0.251 41.761 42.059 -0.078 0.000 0.903 113 L HN 0.090 nan 8.230 nan 0.000 0.435 114 S N -1.003 114.719 115.700 0.038 0.000 2.481 114 S HA -0.121 4.349 4.470 0.000 0.000 0.231 114 S C 1.999 176.638 174.600 0.064 0.000 0.996 114 S CA 1.420 59.679 58.200 0.099 0.000 0.942 114 S CB -0.261 63.065 63.200 0.211 0.000 0.768 114 S HN 0.639 nan 8.310 nan 0.000 0.520 115 T N -1.099 113.479 114.554 0.040 0.000 3.023 115 T HA -0.026 4.324 4.350 0.000 0.000 0.266 115 T C 0.526 175.241 174.700 0.025 0.000 1.093 115 T CA 0.818 62.935 62.100 0.028 0.000 1.129 115 T CB -0.336 68.543 68.868 0.017 0.000 0.899 115 T HN 0.193 nan 8.240 nan 0.000 0.491 116 D N 1.545 121.962 120.400 0.028 0.000 2.716 116 D HA -0.148 4.492 4.640 0.000 0.000 0.239 116 D C -0.798 175.513 176.300 0.019 0.000 1.125 116 D CA 0.258 54.276 54.000 0.029 0.000 0.681 116 D CB -1.847 38.971 40.800 0.030 0.000 1.070 116 D HN 0.601 nan 8.370 nan 0.000 0.432 117 N N 0.588 119.296 118.700 0.014 0.000 2.426 117 N HA 0.278 5.018 4.740 0.000 0.000 0.275 117 N C -1.912 173.599 175.510 0.001 0.000 1.019 117 N CA -1.691 51.362 53.050 0.005 0.000 0.941 117 N CB 1.533 40.021 38.487 0.002 0.000 1.123 117 N HN -0.083 nan 8.380 nan 0.000 0.486 118 P HA -0.095 nan 4.420 nan 0.000 0.231 118 P C 0.877 178.158 177.300 -0.032 0.000 1.158 118 P CA 0.808 63.894 63.100 -0.023 0.000 0.763 118 P CB 0.122 31.801 31.700 -0.034 0.000 0.805 119 E N -0.404 119.783 120.200 -0.023 0.000 2.347 119 E HA -0.095 4.255 4.350 0.000 0.000 0.196 119 E C 0.164 176.754 176.600 -0.017 0.000 1.008 119 E CA 0.498 56.882 56.400 -0.026 0.000 0.852 119 E CB -0.206 29.482 29.700 -0.019 0.000 0.783 119 E HN 0.165 nan 8.360 nan 0.000 0.505 120 L N 1.429 122.652 121.223 -0.000 0.000 2.491 120 L HA 0.288 4.628 4.340 0.000 0.000 0.267 120 L C -0.722 176.181 176.870 0.055 0.000 0.971 120 L CA -0.312 54.541 54.840 0.023 0.000 0.857 120 L CB 2.102 44.168 42.059 0.012 0.000 1.226 120 L HN -0.157 nan 8.230 nan 0.000 0.408 121 D N 4.050 124.515 120.400 0.108 0.000 2.380 121 D HA 0.160 4.800 4.640 0.000 0.000 0.212 121 D C -0.418 176.075 176.300 0.323 0.000 1.021 121 D CA 0.907 55.022 54.000 0.192 0.000 0.884 121 D CB 1.079 41.976 40.800 0.161 0.000 1.001 121 D HN 0.320 nan 8.370 nan 0.000 0.506 122 F N 0.054 120.043 119.950 0.065 0.000 2.678 122 F HA 0.499 5.026 4.527 0.000 0.000 0.308 122 F C -1.150 174.574 175.800 -0.125 0.000 1.118 122 F CA -0.444 57.473 58.000 -0.138 0.000 0.959 122 F CB 1.891 40.745 39.000 -0.243 0.000 1.305 122 F HN -0.090 nan 8.300 nan 0.000 0.443 123 G N 3.270 111.491 108.800 -0.964 0.000 2.608 123 G HA2 0.589 4.549 3.960 0.000 0.000 0.291 123 G HA3 0.589 4.549 3.960 0.000 0.000 0.291 123 G C -2.266 172.025 174.900 -1.015 0.000 1.425 123 G CA -0.848 43.802 45.100 -0.749 0.000 0.787 123 G HN 0.706 nan 8.290 nan 0.000 0.484 124 I N 0.871 121.092 120.570 -0.582 0.000 2.406 124 I HA 0.391 4.561 4.170 0.000 0.000 0.290 124 I C -0.490 175.442 176.117 -0.309 0.000 0.999 124 I CA -0.695 60.306 61.300 -0.498 0.000 1.124 124 I CB 2.161 39.917 38.000 -0.407 0.000 1.289 124 I HN 0.419 nan 8.210 nan 0.000 0.441 125 N N 3.366 121.886 118.700 -0.301 0.000 2.265 125 N HA 0.676 5.416 4.740 0.000 0.000 0.300 125 N C -0.580 174.797 175.510 -0.222 0.000 1.148 125 N CA -0.433 52.486 53.050 -0.219 0.000 0.772 125 N CB 1.928 40.304 38.487 -0.185 0.000 1.434 125 N HN 0.706 nan 8.380 nan 0.000 0.481 126 A N 0.769 123.448 122.820 -0.234 0.000 2.540 126 A HA 0.136 4.456 4.320 0.000 0.000 0.239 126 A C 1.377 178.864 177.584 -0.160 0.000 1.061 126 A CA 0.524 52.421 52.037 -0.233 0.000 0.758 126 A CB -0.208 18.637 19.000 -0.258 0.000 0.991 126 A HN 0.876 nan 8.150 nan 0.000 0.502 127 S N 2.835 118.482 115.700 -0.090 0.000 2.356 127 S HA -0.092 4.379 4.470 0.000 0.000 0.223 127 S C 1.916 176.429 174.600 -0.145 0.000 1.032 127 S CA 1.466 59.640 58.200 -0.044 0.000 1.005 127 S CB -0.998 62.225 63.200 0.039 0.000 0.867 127 S HN 1.228 nan 8.310 nan 0.000 0.449 128 G N 1.891 110.593 108.800 -0.164 0.000 2.421 128 G HA2 -0.148 3.812 3.960 0.000 0.000 0.216 128 G HA3 -0.148 3.812 3.960 0.000 0.000 0.216 128 G C 1.542 176.208 174.900 -0.390 0.000 1.171 128 G CA 0.836 45.629 45.100 -0.512 0.000 0.775 128 G HN 0.582 nan 8.290 nan 0.000 0.543 129 K N -0.441 119.829 120.400 -0.217 0.000 2.103 129 K HA -0.028 4.292 4.320 0.000 0.000 0.207 129 K C 2.343 178.942 176.600 -0.002 0.000 1.048 129 K CA 1.008 57.199 56.287 -0.160 0.000 0.930 129 K CB -0.250 31.943 32.500 -0.511 0.000 0.716 129 K HN 0.288 nan 8.250 nan 0.000 0.444 130 L N 0.686 121.887 121.223 -0.037 0.000 2.056 130 L HA -0.125 4.215 4.340 0.000 0.000 0.207 130 L C 1.947 178.912 176.870 0.160 0.000 1.078 130 L CA 1.397 56.286 54.840 0.081 0.000 0.749 130 L CB -0.272 41.816 42.059 0.047 0.000 0.901 130 L HN -0.113 nan 8.230 nan 0.000 0.433 131 V N 0.125 120.056 119.914 0.029 0.000 2.287 131 V HA -0.256 3.864 4.120 0.000 0.000 0.248 131 V C 2.669 178.787 176.094 0.040 0.000 1.053 131 V CA 1.962 64.274 62.300 0.020 0.000 1.027 131 V CB -0.711 30.927 31.823 -0.308 0.000 0.646 131 V HN 0.484 nan 8.190 nan 0.000 0.447 132 E N -0.648 119.544 120.200 -0.013 0.000 2.110 132 E HA -0.210 4.140 4.350 0.000 0.000 0.193 132 E C 1.992 178.678 176.600 0.144 0.000 0.988 132 E CA 1.299 57.747 56.400 0.081 0.000 0.804 132 E CB -0.352 29.407 29.700 0.097 0.000 0.745 132 E HN 0.670 nan 8.360 nan 0.000 0.458 133 F N 1.232 121.214 119.950 0.054 0.000 2.146 133 F HA -0.098 4.429 4.527 0.001 0.000 0.298 133 F C 2.127 177.954 175.800 0.045 0.000 1.096 133 F CA 1.032 59.068 58.000 0.060 0.000 1.275 133 F CB -0.133 38.911 39.000 0.073 0.000 1.008 133 F HN -0.100 nan 8.300 nan 0.000 0.480 134 L N 0.007 121.326 121.223 0.160 0.000 2.291 134 L HA -0.153 4.187 4.340 0.000 0.000 0.214 134 L C 2.374 179.248 176.870 0.007 0.000 1.120 134 L CA 1.014 55.888 54.840 0.057 0.000 0.799 134 L CB -0.550 41.608 42.059 0.165 0.000 0.925 134 L HN 0.099 nan 8.230 nan 0.000 0.446 135 K N 0.171 120.592 120.400 0.036 0.000 2.097 135 K HA -0.156 4.165 4.320 0.000 0.000 0.206 135 K C 1.828 178.408 176.600 -0.034 0.000 1.049 135 K CA 1.355 57.657 56.287 0.025 0.000 0.933 135 K CB 0.111 32.644 32.500 0.055 0.000 0.717 135 K HN 0.269 nan 8.250 nan 0.000 0.442 136 N N 0.521 119.163 118.700 -0.098 0.000 2.354 136 N HA -0.057 4.683 4.740 0.000 0.000 0.179 136 N C -0.328 175.053 175.510 -0.215 0.000 1.021 136 N CA 0.868 53.831 53.050 -0.146 0.000 0.887 136 N CB 0.128 38.508 38.487 -0.177 0.000 0.974 136 N HN 0.203 nan 8.380 nan 0.000 0.437 137 N N 0.279 118.799 118.700 -0.300 0.000 2.733 137 N HA 0.233 4.973 4.740 0.000 0.000 0.271 137 N C -2.912 172.502 175.510 -0.159 0.000 1.720 137 N CA -0.918 51.952 53.050 -0.300 0.000 0.803 137 N CB 1.744 39.870 38.487 -0.602 0.000 1.208 137 N HN 0.019 nan 8.380 nan 0.000 0.498 138 P HA 0.133 nan 4.420 nan 0.000 0.267 138 P C 1.071 178.364 177.300 -0.012 0.000 1.205 138 P CA 0.594 63.681 63.100 -0.022 0.000 0.765 138 P CB 0.736 32.436 31.700 -0.001 0.000 0.828 139 G N 3.166 111.966 108.800 -0.000 0.000 2.187 139 G HA2 -0.337 3.623 3.960 0.000 0.000 0.261 139 G HA3 -0.337 3.623 3.960 0.000 0.000 0.261 139 G C 0.774 175.680 174.900 0.010 0.000 1.000 139 G CA 0.351 45.451 45.100 0.001 0.000 0.718 139 G HN 0.594 nan 8.290 nan 0.000 0.519 140 I N 0.260 120.843 120.570 0.022 0.000 2.546 140 I HA 0.243 4.413 4.170 0.000 0.000 0.255 140 I C 1.397 177.560 176.117 0.076 0.000 1.163 140 I CA 1.222 62.551 61.300 0.049 0.000 1.457 140 I CB -0.043 37.991 38.000 0.056 0.000 1.092 140 I HN 0.486 nan 8.210 nan 0.000 0.434 141 I N -3.603 117.011 120.570 0.073 0.000 3.074 141 I HA 0.427 4.597 4.170 0.000 0.000 0.310 141 I C -1.004 175.110 176.117 -0.006 0.000 1.153 141 I CA -0.638 60.692 61.300 0.050 0.000 0.993 141 I CB 2.233 40.260 38.000 0.045 0.000 1.237 141 I HN -0.383 nan 8.210 nan 0.000 0.443 142 T N 3.290 117.854 114.554 0.016 0.000 2.864 142 T HA 0.454 4.804 4.350 0.000 0.000 0.310 142 T C -2.658 172.040 174.700 -0.003 0.000 1.040 142 T CA -1.102 61.000 62.100 0.003 0.000 0.977 142 T CB 1.115 70.039 68.868 0.094 0.000 0.976 142 T HN 0.417 nan 8.240 nan 0.000 0.459 143 P HA 0.404 nan 4.420 nan 0.000 0.271 143 P C -0.010 177.312 177.300 0.036 0.000 1.216 143 P CA -0.133 62.857 63.100 -0.184 0.000 0.771 143 P CB 0.953 32.305 31.700 -0.579 0.000 0.864 144 A N 3.141 126.040 122.820 0.131 0.000 1.999 144 A HA 0.240 4.560 4.320 0.000 0.000 0.190 144 A C -0.145 177.558 177.584 0.199 0.000 1.737 144 A CA 0.364 52.544 52.037 0.238 0.000 1.257 144 A CB -0.112 19.178 19.000 0.483 0.000 1.401 144 A HN 0.460 nan 8.150 nan 0.000 0.430 145 L N 0.695 121.997 121.223 0.132 0.000 2.341 145 L HA 0.639 4.980 4.340 0.000 0.000 0.278 145 L C -0.589 176.296 176.870 0.025 0.000 1.005 145 L CA -0.299 54.585 54.840 0.072 0.000 0.818 145 L CB 1.836 43.886 42.059 -0.015 0.000 1.259 145 L HN 0.276 nan 8.230 nan 0.000 0.418 146 E N 2.668 122.903 120.200 0.058 0.000 2.133 146 E HA 0.394 4.745 4.350 0.000 0.000 0.274 146 E C -0.769 175.834 176.600 0.004 0.000 0.930 146 E CA -0.616 55.803 56.400 0.031 0.000 0.770 146 E CB 1.072 30.813 29.700 0.069 0.000 1.104 146 E HN 0.750 nan 8.360 nan 0.000 0.403 147 T N 1.324 115.817 114.554 -0.102 0.000 2.882 147 T HA 0.437 4.787 4.350 0.000 0.000 0.287 147 T C 0.322 174.936 174.700 -0.143 0.000 1.014 147 T CA -0.494 61.476 62.100 -0.216 0.000 1.049 147 T CB 1.440 69.996 68.868 -0.519 0.000 1.001 147 T HN 0.463 nan 8.240 nan 0.000 0.525 148 T N -1.541 112.850 114.554 -0.272 0.000 2.906 148 T HA 0.668 5.019 4.350 0.000 0.000 0.295 148 T C -0.469 173.933 174.700 -0.497 0.000 1.075 148 T CA -0.832 61.080 62.100 -0.314 0.000 1.005 148 T CB 1.877 70.612 68.868 -0.221 0.000 1.136 148 T HN 0.839 nan 8.240 nan 0.000 0.498 149 T N 0.978 115.131 114.554 -0.668 0.000 2.907 149 T HA 0.458 4.808 4.350 0.000 0.000 0.292 149 T C -0.640 173.760 174.700 -0.500 0.000 1.043 149 T CA -0.780 60.893 62.100 -0.713 0.000 1.003 149 T CB 0.796 68.919 68.868 -1.241 0.000 1.084 149 T HN 0.661 nan 8.240 nan 0.000 0.483 150 N N 2.781 121.244 118.700 -0.395 0.000 2.359 150 N HA 0.047 4.787 4.740 0.000 0.000 0.261 150 N C 0.299 175.665 175.510 -0.241 0.000 1.267 150 N CA 0.237 53.132 53.050 -0.258 0.000 0.864 150 N CB 0.563 38.899 38.487 -0.252 0.000 1.063 150 N HN 0.732 nan 8.380 nan 0.000 0.474 151 S N 1.939 117.511 115.700 -0.214 0.000 2.568 151 S HA 0.199 4.669 4.470 0.000 0.000 0.282 151 S C 0.097 174.557 174.600 -0.234 0.000 1.338 151 S CA -0.481 57.566 58.200 -0.255 0.000 1.045 151 S CB 0.088 63.213 63.200 -0.126 0.000 0.873 151 S HN 0.257 nan 8.310 nan 0.000 0.516 152 F N 1.663 121.399 119.950 -0.357 0.000 2.459 152 F HA 0.207 4.734 4.527 0.000 0.000 0.346 152 F C 1.771 177.240 175.800 -0.552 0.000 1.128 152 F CA -0.847 56.718 58.000 -0.725 0.000 1.268 152 F CB 0.578 38.720 39.000 -1.429 0.000 1.161 152 F HN 0.559 nan 8.300 nan 0.000 0.583 153 V N 0.491 120.272 119.914 -0.222 0.000 2.688 153 V HA -0.260 3.860 4.120 0.000 0.000 0.256 153 V C 1.340 177.437 176.094 0.004 0.000 1.084 153 V CA 1.787 64.058 62.300 -0.050 0.000 1.103 153 V CB -1.646 30.211 31.823 0.057 0.000 0.688 153 V HN 0.740 nan 8.190 nan 0.000 0.480 154 F N 0.191 120.214 119.950 0.121 0.000 2.727 154 F HA 0.576 5.103 4.527 0.000 0.000 0.302 154 F C 0.646 176.508 175.800 0.103 0.000 1.097 154 F CA -0.083 57.964 58.000 0.079 0.000 1.330 154 F CB -0.065 38.952 39.000 0.029 0.000 1.084 154 F HN 0.259 nan 8.300 nan 0.000 0.578 155 D N 1.007 121.444 120.400 0.062 0.000 2.978 155 D HA 0.152 4.792 4.640 0.000 0.000 0.268 155 D C 0.122 176.552 176.300 0.216 0.000 1.252 155 D CA -0.213 53.911 54.000 0.206 0.000 0.771 155 D CB 0.323 41.326 40.800 0.338 0.000 1.361 155 D HN 0.214 nan 8.370 nan 0.000 0.558 156 K N 0.252 120.747 120.400 0.158 0.000 2.374 156 K HA 0.193 4.513 4.320 0.000 0.000 0.196 156 K C 0.076 176.794 176.600 0.197 0.000 1.023 156 K CA 0.148 56.529 56.287 0.157 0.000 1.103 156 K CB 1.096 33.642 32.500 0.077 0.000 0.848 156 K HN 0.215 nan 8.250 nan 0.000 0.528 157 E N 1.383 121.670 120.200 0.145 0.000 2.155 157 E HA 0.106 4.456 4.350 0.000 0.000 0.264 157 E C 0.119 176.570 176.600 -0.247 0.000 0.886 157 E CA -0.247 56.157 56.400 0.007 0.000 0.752 157 E CB 1.742 31.435 29.700 -0.010 0.000 1.133 157 E HN -0.020 nan 8.360 nan 0.000 0.414 158 K N 2.470 122.586 120.400 -0.473 0.000 2.026 158 K HA -0.117 4.203 4.320 0.000 0.000 0.208 158 K C -0.006 176.185 176.600 -0.681 0.000 1.048 158 K CA 1.184 56.808 56.287 -1.105 0.000 0.929 158 K CB 0.225 32.257 32.500 -0.780 0.000 0.713 158 K HN 0.355 nan 8.250 nan 0.000 0.439 159 D N 1.956 122.158 120.400 -0.331 0.000 2.713 159 D HA 0.074 4.715 4.640 0.000 0.000 0.229 159 D C -0.899 175.317 176.300 -0.141 0.000 1.136 159 D CA 0.352 54.253 54.000 -0.165 0.000 1.010 159 D CB 0.354 41.202 40.800 0.080 0.000 1.084 159 D HN 0.018 nan 8.370 nan 0.000 0.495 160 K N 1.723 121.873 120.400 -0.417 0.000 2.413 160 K HA 0.432 4.753 4.320 0.000 0.000 0.257 160 K C -0.545 175.779 176.600 -0.460 0.000 0.946 160 K CA -0.618 55.521 56.287 -0.247 0.000 0.823 160 K CB 1.521 33.921 32.500 -0.167 0.000 1.109 160 K HN -0.004 nan 8.250 nan 0.000 0.427 161 F N 0.339 120.271 119.950 -0.031 0.000 2.611 161 F HA 0.299 4.826 4.527 0.000 0.000 0.324 161 F C 0.302 176.122 175.800 0.033 0.000 1.061 161 F CA -1.365 56.639 58.000 0.006 0.000 0.954 161 F CB 0.744 39.744 39.000 0.000 0.000 1.301 161 F HN 0.362 nan 8.300 nan 0.000 0.482 162 Y N 0.793 121.202 120.300 0.181 0.000 2.712 162 Y HA 0.253 4.803 4.550 0.000 0.000 0.333 162 Y C 0.206 176.157 175.900 0.085 0.000 1.225 162 Y CA 0.342 58.505 58.100 0.104 0.000 1.499 162 Y CB 0.506 39.017 38.460 0.085 0.000 1.288 162 Y HN 0.378 nan 8.280 nan 0.000 0.575 163 V N 3.061 122.559 119.914 -0.693 0.000 3.278 163 V HA 0.064 4.184 4.120 0.000 0.000 0.215 163 V C 0.161 175.857 176.094 -0.662 0.000 1.287 163 V CA 1.006 63.038 62.300 -0.446 0.000 1.302 163 V CB 0.369 32.053 31.823 -0.232 0.000 1.228 163 V HN 0.870 nan 8.190 nan 0.000 0.523 164 D N -1.208 118.729 120.400 -0.770 0.000 2.530 164 D HA 0.244 4.884 4.640 0.000 0.000 0.290 164 D C 1.310 177.532 176.300 -0.131 0.000 1.398 164 D CA 0.680 54.439 54.000 -0.401 0.000 0.848 164 D CB 0.280 40.978 40.800 -0.169 0.000 1.279 164 D HN 0.604 nan 8.370 nan 0.000 0.483 165 G N 0.552 109.254 108.800 -0.163 0.000 2.175 165 G HA2 -0.304 3.656 3.960 0.000 0.000 0.265 165 G HA3 -0.304 3.656 3.960 0.000 0.000 0.265 165 G C 0.615 175.714 174.900 0.333 0.000 0.979 165 G CA 1.088 46.384 45.100 0.326 0.000 0.663 165 G HN 0.940 nan 8.290 nan 0.000 0.533 166 T N -3.240 111.393 114.554 0.131 0.000 2.810 166 T HA 0.526 4.876 4.350 0.000 0.000 0.277 166 T C 1.053 175.791 174.700 0.063 0.000 0.973 166 T CA 0.382 62.550 62.100 0.113 0.000 0.949 166 T CB 1.093 69.989 68.868 0.046 0.000 1.075 166 T HN -0.128 nan 8.240 nan 0.000 0.537 167 D N 0.417 120.845 120.400 0.046 0.000 2.265 167 D HA -0.081 4.559 4.640 0.000 0.000 0.208 167 D C 2.120 178.420 176.300 -0.001 0.000 0.977 167 D CA 1.674 55.684 54.000 0.016 0.000 0.871 167 D CB -0.285 40.523 40.800 0.015 0.000 0.925 167 D HN 0.701 nan 8.370 nan 0.000 0.485 168 S N -0.762 114.934 115.700 -0.006 0.000 2.575 168 S HA -0.032 4.439 4.470 0.000 0.000 0.215 168 S C 0.651 175.232 174.600 -0.033 0.000 0.966 168 S CA -0.499 57.690 58.200 -0.018 0.000 0.911 168 S CB 0.453 63.642 63.200 -0.019 0.000 0.780 168 S HN 0.036 nan 8.310 nan 0.000 0.514 169 D N 3.448 123.823 120.400 -0.042 0.000 2.425 169 D HA 0.098 4.739 4.640 0.000 0.000 0.247 169 D C -1.393 174.879 176.300 -0.047 0.000 1.147 169 D CA -1.497 52.458 54.000 -0.075 0.000 0.879 169 D CB 1.543 42.284 40.800 -0.099 0.000 1.179 169 D HN 0.053 nan 8.370 nan 0.000 0.456 170 P HA -0.120 nan 4.420 nan 0.000 0.218 170 P C 1.716 179.003 177.300 -0.022 0.000 1.148 170 P CA 0.866 63.951 63.100 -0.024 0.000 0.822 170 P CB 0.278 31.966 31.700 -0.019 0.000 0.784 171 L N -1.278 119.935 121.223 -0.017 0.000 2.217 171 L HA -0.055 4.285 4.340 0.000 0.000 0.211 171 L C 2.530 179.377 176.870 -0.037 0.000 1.107 171 L CA 0.872 55.706 54.840 -0.009 0.000 0.783 171 L CB -0.834 41.252 42.059 0.045 0.000 0.919 171 L HN -0.157 nan 8.230 nan 0.000 0.442 172 V N -0.030 119.863 119.914 -0.035 0.000 2.453 172 V HA -0.200 3.920 4.120 0.000 0.000 0.247 172 V C 2.423 178.477 176.094 -0.067 0.000 1.048 172 V CA 1.443 63.703 62.300 -0.066 0.000 1.049 172 V CB -0.425 31.376 31.823 -0.038 0.000 0.672 172 V HN 0.400 nan 8.190 nan 0.000 0.457 173 K N 0.057 120.433 120.400 -0.041 0.000 2.057 173 K HA -0.111 4.210 4.320 0.000 0.000 0.207 173 K C 2.042 178.624 176.600 -0.029 0.000 1.049 173 K CA 1.579 57.849 56.287 -0.029 0.000 0.931 173 K CB -0.316 32.177 32.500 -0.012 0.000 0.714 173 K HN 0.386 nan 8.250 nan 0.000 0.440 174 I N 1.096 121.653 120.570 -0.022 0.000 2.286 174 I HA -0.271 3.899 4.170 0.000 0.000 0.248 174 I C 2.507 178.555 176.117 -0.114 0.000 1.115 174 I CA 1.016 62.312 61.300 -0.005 0.000 1.392 174 I CB -0.374 37.655 38.000 0.048 0.000 1.065 174 I HN 0.142 nan 8.210 nan 0.000 0.418 175 A N 0.716 123.440 122.820 -0.160 0.000 1.940 175 A HA -0.283 4.037 4.320 0.000 0.000 0.219 175 A C 2.338 179.789 177.584 -0.222 0.000 1.176 175 A CA 2.072 53.956 52.037 -0.255 0.000 0.631 175 A CB -0.523 18.322 19.000 -0.259 0.000 0.814 175 A HN 0.344 nan 8.150 nan 0.000 0.446 176 K N -0.335 119.980 120.400 -0.143 0.000 2.057 176 K HA -0.156 4.164 4.320 0.000 0.000 0.207 176 K C 1.902 178.446 176.600 -0.094 0.000 1.049 176 K CA 1.575 57.800 56.287 -0.103 0.000 0.931 176 K CB -0.078 32.385 32.500 -0.062 0.000 0.714 176 K HN 0.455 nan 8.250 nan 0.000 0.440 177 E N 0.449 120.599 120.200 -0.085 0.000 2.106 177 E HA -0.158 4.192 4.350 0.000 0.000 0.192 177 E C 2.076 178.586 176.600 -0.151 0.000 0.984 177 E CA 1.079 57.452 56.400 -0.045 0.000 0.806 177 E CB -0.088 29.644 29.700 0.054 0.000 0.750 177 E HN 0.434 nan 8.360 nan 0.000 0.458 178 I N 1.856 122.200 120.570 -0.377 0.000 2.226 178 I HA -0.277 3.894 4.170 0.000 0.000 0.245 178 I C 1.934 177.893 176.117 -0.264 0.000 1.100 178 I CA 0.876 61.834 61.300 -0.569 0.000 1.374 178 I CB -0.299 37.246 38.000 -0.759 0.000 1.057 178 I HN 0.022 nan 8.210 nan 0.000 0.413 179 N N 1.111 119.698 118.700 -0.189 0.000 2.244 179 N HA -0.205 4.535 4.740 0.000 0.000 0.183 179 N C 1.744 177.243 175.510 -0.018 0.000 1.016 179 N CA 1.092 54.099 53.050 -0.072 0.000 0.866 179 N CB -0.298 38.144 38.487 -0.074 0.000 0.980 179 N HN 0.422 nan 8.380 nan 0.000 0.430 180 K N 0.836 121.222 120.400 -0.022 0.000 2.211 180 K HA 0.021 4.342 4.320 0.000 0.000 0.203 180 K C 1.691 178.327 176.600 0.060 0.000 1.050 180 K CA 0.912 57.208 56.287 0.016 0.000 0.945 180 K CB -0.020 32.490 32.500 0.018 0.000 0.732 180 K HN 0.106 nan 8.250 nan 0.000 0.451 181 I N -0.570 120.049 120.570 0.081 0.000 2.867 181 I HA -0.036 4.135 4.170 0.000 0.000 0.265 181 I C 1.725 178.025 176.117 0.305 0.000 1.162 181 I CA 0.381 61.800 61.300 0.198 0.000 1.471 181 I CB 0.106 38.252 38.000 0.243 0.000 1.123 181 I HN 0.155 nan 8.210 nan 0.000 0.440 182 F N -0.206 119.688 119.950 -0.094 0.000 2.559 182 F HA 0.103 4.630 4.527 0.000 0.000 0.286 182 F C 1.844 177.501 175.800 -0.238 0.000 1.108 182 F CA 0.633 58.430 58.000 -0.339 0.000 1.436 182 F CB 0.372 38.905 39.000 -0.778 0.000 1.130 182 F HN -0.301 nan 8.300 nan 0.000 0.584 183 V N -0.193 119.694 119.914 -0.046 0.000 2.627 183 V HA -0.076 4.044 4.120 0.000 0.000 0.239 183 V C 2.091 178.142 176.094 -0.072 0.000 1.077 183 V CA 1.462 63.705 62.300 -0.094 0.000 1.103 183 V CB -0.332 31.502 31.823 0.018 0.000 0.802 183 V HN 0.266 nan 8.190 nan 0.000 0.482 184 E N 0.489 120.680 120.200 -0.015 0.000 2.058 184 E HA -0.179 4.172 4.350 0.000 0.000 0.194 184 E C 0.523 177.130 176.600 0.012 0.000 0.997 184 E CA 1.437 57.836 56.400 -0.002 0.000 0.801 184 E CB 0.026 29.733 29.700 0.012 0.000 0.746 184 E HN 0.490 nan 8.360 nan 0.000 0.450 185 T N 4.133 118.723 114.554 0.060 0.000 3.005 185 T HA 0.251 4.601 4.350 0.000 0.000 0.323 185 T C -2.597 172.172 174.700 0.116 0.000 1.131 185 T CA -1.512 60.660 62.100 0.121 0.000 0.977 185 T CB 1.287 70.272 68.868 0.195 0.000 1.055 185 T HN 0.107 nan 8.240 nan 0.000 0.562 186 P HA 0.013 nan 4.420 nan 0.000 0.267 186 P C 0.397 177.392 177.300 -0.509 0.000 1.209 186 P CA -0.260 62.675 63.100 -0.275 0.000 0.763 186 P CB 0.424 31.990 31.700 -0.224 0.000 0.816 187 Y N 4.968 124.507 120.300 -1.269 0.000 2.181 187 Y HA -0.329 4.221 4.550 0.000 0.000 0.284 187 Y C 2.209 177.414 175.900 -1.160 0.000 1.179 187 Y CA 2.345 59.241 58.100 -2.006 0.000 1.179 187 Y CB -0.599 36.575 38.460 -2.144 0.000 0.973 187 Y HN 0.437 nan 8.280 nan 0.000 0.519 188 A N -1.295 121.091 122.820 -0.723 0.000 2.125 188 A HA -0.131 4.189 4.320 0.000 0.000 0.219 188 A C 2.160 179.509 177.584 -0.392 0.000 1.156 188 A CA 1.841 53.574 52.037 -0.507 0.000 0.671 188 A CB -0.683 18.142 19.000 -0.291 0.000 0.794 188 A HN 0.445 nan 8.150 nan 0.000 0.459 189 S N -1.665 113.844 115.700 -0.318 0.000 2.559 189 S HA 0.137 4.607 4.470 0.000 0.000 0.226 189 S C -0.343 174.251 174.600 -0.011 0.000 1.000 189 S CA -0.804 57.316 58.200 -0.133 0.000 0.948 189 S CB -0.076 63.081 63.200 -0.072 0.000 0.870 189 S HN 0.611 nan 8.310 nan 0.000 0.497 190 W N 3.725 124.778 121.300 -0.412 0.000 2.209 190 W HA 0.291 4.951 4.660 0.000 0.000 0.344 190 W C 1.093 177.488 176.519 -0.206 0.000 1.285 190 W CA -0.629 56.456 57.345 -0.433 0.000 1.267 190 W CB -0.397 28.505 29.460 -0.931 0.000 1.167 190 W HN 0.063 nan 8.180 nan 0.000 0.574 191 T N -1.490 113.194 114.554 0.216 0.000 2.924 191 T HA 0.257 4.608 4.350 0.000 0.000 0.291 191 T C 0.621 175.538 174.700 0.361 0.000 1.045 191 T CA -0.744 61.482 62.100 0.210 0.000 1.015 191 T CB 2.065 71.024 68.868 0.152 0.000 1.103 191 T HN 0.241 nan 8.240 nan 0.000 0.496 192 D N 0.429 121.043 120.400 0.357 0.000 2.149 192 D HA -0.101 4.539 4.640 0.000 0.000 0.198 192 D C 1.852 178.384 176.300 0.388 0.000 0.990 192 D CA 1.288 55.569 54.000 0.468 0.000 0.839 192 D CB 0.102 41.132 40.800 0.385 0.000 0.948 192 D HN 0.680 nan 8.370 nan 0.000 0.460 193 E N 0.283 120.638 120.200 0.259 0.000 2.107 193 E HA -0.102 4.248 4.350 0.000 0.000 0.191 193 E C 1.548 178.239 176.600 0.152 0.000 0.982 193 E CA 0.845 57.354 56.400 0.182 0.000 0.809 193 E CB -0.085 29.691 29.700 0.126 0.000 0.756 193 E HN 0.400 nan 8.360 nan 0.000 0.459 194 N N -0.655 118.139 118.700 0.157 0.000 2.325 194 N HA -0.063 4.677 4.740 0.000 0.000 0.182 194 N C 0.768 176.231 175.510 -0.078 0.000 1.088 194 N CA 0.657 53.736 53.050 0.048 0.000 0.879 194 N CB -0.238 38.273 38.487 0.042 0.000 0.983 194 N HN 0.102 nan 8.380 nan 0.000 0.471 195 H N 0.361 119.457 119.070 0.043 0.000 2.592 195 H HA 0.380 4.936 4.556 0.000 0.000 0.279 195 H C -0.526 175.003 175.328 0.335 0.000 1.089 195 H CA -0.470 55.598 56.048 0.032 0.000 1.150 195 H CB 0.310 29.892 29.762 -0.300 0.000 1.575 195 H HN 0.061 nan 8.280 nan 0.000 0.547 196 K N 0.218 120.832 120.400 0.356 0.000 3.257 196 K HA -0.228 4.092 4.320 0.000 0.000 0.270 196 K C -0.605 176.220 176.600 0.375 0.000 0.984 196 K CA 0.189 56.653 56.287 0.295 0.000 0.739 196 K CB -1.002 31.604 32.500 0.176 0.000 1.351 196 K HN 0.531 nan 8.250 nan 0.000 0.463 197 W N 2.835 124.291 121.300 0.260 0.000 2.322 197 W HA 0.012 4.672 4.660 0.000 0.000 0.328 197 W C 0.572 177.101 176.519 0.018 0.000 1.395 197 W CA 0.660 58.040 57.345 0.058 0.000 1.267 197 W CB 0.303 29.755 29.460 -0.013 0.000 1.259 197 W HN 0.449 nan 8.180 nan 0.000 0.560 198 N N 3.976 122.254 118.700 -0.704 0.000 2.235 198 N HA 0.166 4.906 4.740 0.000 0.000 0.231 198 N C 0.982 176.092 175.510 -0.667 0.000 1.177 198 N CA 0.240 52.997 53.050 -0.489 0.000 0.874 198 N CB 0.408 38.710 38.487 -0.309 0.000 1.097 198 N HN 0.719 nan 8.380 nan 0.000 0.518 199 G N 0.340 108.357 108.800 -1.306 0.000 2.241 199 G HA2 -0.401 3.559 3.960 0.000 0.000 0.244 199 G HA3 -0.401 3.559 3.960 0.000 0.000 0.244 199 G C 0.885 175.336 174.900 -0.748 0.000 0.998 199 G CA 0.487 45.141 45.100 -0.742 0.000 0.621 199 G HN 0.554 nan 8.290 nan 0.000 0.519 200 N N -0.274 117.833 118.700 -0.989 0.000 2.607 200 N HA 0.357 5.097 4.740 0.000 0.000 0.207 200 N C 0.832 175.984 175.510 -0.597 0.000 1.040 200 N CA 1.966 54.673 53.050 -0.572 0.000 0.947 200 N CB 0.691 38.963 38.487 -0.359 0.000 1.293 200 N HN 1.260 nan 8.380 nan 0.000 0.446 201 V N -2.096 117.411 119.914 -0.679 0.000 3.130 201 V HA 0.539 4.660 4.120 0.000 0.000 0.310 201 V C -1.297 174.808 176.094 0.018 0.000 1.158 201 V CA -1.084 61.168 62.300 -0.081 0.000 1.029 201 V CB 1.252 33.158 31.823 0.139 0.000 1.057 201 V HN 0.051 nan 8.190 nan 0.000 0.436 202 Y N 2.057 122.815 120.300 0.763 0.000 2.613 202 Y HA 0.320 4.870 4.550 0.001 0.000 0.354 202 Y C 1.751 177.994 175.900 0.572 0.000 1.063 202 Y CA 0.126 58.663 58.100 0.729 0.000 1.384 202 Y CB 0.549 39.522 38.460 0.855 0.000 1.199 202 Y HN 0.732 nan 8.280 nan 0.000 0.517 203 Q N 0.984 121.061 119.800 0.461 0.000 2.291 203 Q HA -0.164 4.177 4.340 0.000 0.000 0.206 203 Q C 2.096 178.326 176.000 0.383 0.000 0.976 203 Q CA 1.440 57.453 55.803 0.349 0.000 0.875 203 Q CB -0.006 28.811 28.738 0.132 0.000 0.927 203 Q HN 0.779 nan 8.270 nan 0.000 0.450 204 S N 0.194 116.079 115.700 0.310 0.000 2.507 204 S HA -0.067 4.403 4.470 0.000 0.000 0.235 204 S C 1.808 176.516 174.600 0.179 0.000 0.988 204 S CA 0.910 59.200 58.200 0.150 0.000 0.944 204 S CB -0.336 62.832 63.200 -0.053 0.000 0.762 204 S HN 0.331 nan 8.310 nan 0.000 0.526 205 V N -2.903 117.200 119.914 0.315 0.000 3.633 205 V HA 0.455 4.575 4.120 0.000 0.000 0.283 205 V C -0.140 175.977 176.094 0.038 0.000 1.305 205 V CA -0.748 61.689 62.300 0.229 0.000 1.153 205 V CB -1.681 30.367 31.823 0.374 0.000 0.950 205 V HN 0.395 nan 8.190 nan 0.000 0.432 206 Y N -0.287 120.117 120.300 0.173 0.000 2.549 206 Y HA 0.735 5.286 4.550 0.001 0.000 0.339 206 Y C -0.218 175.686 175.900 0.006 0.000 1.053 206 Y CA -1.253 56.881 58.100 0.057 0.000 1.105 206 Y CB 1.548 40.013 38.460 0.009 0.000 1.258 206 Y HN -0.001 nan 8.280 nan 0.000 0.478 207 D N 3.111 123.589 120.400 0.129 0.000 2.462 207 D HA 0.272 4.912 4.640 0.000 0.000 0.249 207 D C -2.042 174.272 176.300 0.022 0.000 1.117 207 D CA -2.648 51.386 54.000 0.058 0.000 0.900 207 D CB 1.259 42.074 40.800 0.025 0.000 1.039 207 D HN 0.168 nan 8.370 nan 0.000 0.516 208 P HA -0.108 nan 4.420 nan 0.000 0.228 208 P C 1.073 178.347 177.300 -0.043 0.000 1.151 208 P CA 0.864 63.938 63.100 -0.044 0.000 0.770 208 P CB -0.056 31.613 31.700 -0.052 0.000 0.786 209 T N -3.683 110.859 114.554 -0.021 0.000 3.113 209 T HA 0.105 4.455 4.350 0.000 0.000 0.256 209 T C 0.688 175.376 174.700 -0.020 0.000 1.131 209 T CA 0.055 62.145 62.100 -0.018 0.000 1.074 209 T CB -0.502 68.363 68.868 -0.005 0.000 0.944 209 T HN -0.155 nan 8.240 nan 0.000 0.516 210 V N 2.576 122.474 119.914 -0.027 0.000 2.407 210 V HA 0.386 4.507 4.120 0.000 0.000 0.291 210 V C -0.622 175.432 176.094 -0.067 0.000 1.018 210 V CA -1.050 61.234 62.300 -0.027 0.000 0.842 210 V CB 1.680 33.501 31.823 -0.004 0.000 0.996 210 V HN 0.309 nan 8.190 nan 0.000 0.426 211 Q N 3.153 122.910 119.800 -0.071 0.000 2.267 211 Q HA 0.597 4.937 4.340 0.000 0.000 0.255 211 Q C 0.068 175.996 176.000 -0.120 0.000 0.923 211 Q CA -0.132 55.595 55.803 -0.128 0.000 0.925 211 Q CB 1.996 30.665 28.738 -0.116 0.000 1.195 211 Q HN 0.845 nan 8.270 nan 0.000 0.417 212 A N 3.427 126.089 122.820 -0.263 0.000 2.260 212 A HA 0.264 4.584 4.320 0.000 0.000 0.308 212 A C 0.467 177.856 177.584 -0.325 0.000 1.254 212 A CA -0.780 51.030 52.037 -0.379 0.000 0.874 212 A CB 0.026 18.465 19.000 -0.935 0.000 1.153 212 A HN 0.712 nan 8.150 nan 0.000 0.527 213 N N 2.038 120.743 118.700 0.007 0.000 2.466 213 N HA 0.308 5.048 4.740 0.000 0.000 0.251 213 N C -0.667 175.019 175.510 0.293 0.000 1.164 213 N CA -0.178 52.933 53.050 0.102 0.000 0.888 213 N CB -0.775 37.795 38.487 0.139 0.000 1.177 213 N HN 0.560 nan 8.380 nan 0.000 0.498 214 F N -2.485 117.527 119.950 0.104 0.000 2.773 214 F HA 0.676 5.204 4.527 0.001 0.000 0.314 214 F C -1.758 174.272 175.800 0.384 0.000 1.160 214 F CA -1.691 56.444 58.000 0.225 0.000 0.920 214 F CB 0.731 39.795 39.000 0.106 0.000 1.323 214 F HN -0.075 nan 8.300 nan 0.000 0.457 215 Y N -0.779 119.719 120.300 0.330 0.000 2.689 215 Y HA 0.906 5.456 4.550 0.001 0.000 0.333 215 Y C -1.521 174.596 175.900 0.361 0.000 1.190 215 Y CA -2.279 56.002 58.100 0.301 0.000 1.063 215 Y CB 1.326 40.012 38.460 0.377 0.000 1.294 215 Y HN 0.871 nan 8.280 nan 0.000 0.466 216 R N 0.240 120.815 120.500 0.124 0.000 2.888 216 R HA 0.738 5.078 4.340 0.000 0.000 0.264 216 R C -0.337 175.955 176.300 -0.013 0.000 1.045 216 R CA -0.894 55.180 56.100 -0.043 0.000 0.962 216 R CB 2.154 32.510 30.300 0.093 0.000 1.210 216 R HN 1.077 nan 8.270 nan 0.000 0.479 217 G N 0.458 109.230 108.800 -0.046 0.000 2.535 217 G HA2 0.664 4.624 3.960 0.000 0.000 0.303 217 G HA3 0.664 4.624 3.960 0.000 0.000 0.303 217 G C -0.410 174.483 174.900 -0.012 0.000 1.237 217 G CA -0.672 44.445 45.100 0.028 0.000 0.986 217 G HN 0.577 nan 8.290 nan 0.000 0.494 218 M N -1.396 118.193 119.600 -0.019 0.000 2.578 218 M HA 0.633 5.113 4.480 0.000 0.000 0.276 218 M C -1.875 174.373 176.300 -0.086 0.000 1.245 218 M CA -0.815 54.398 55.300 -0.145 0.000 0.871 218 M CB 2.180 34.584 32.600 -0.327 0.000 1.722 218 M HN 0.268 nan 8.290 nan 0.000 0.473 219 I N 1.748 122.235 120.570 -0.138 0.000 2.362 219 I HA 0.473 4.643 4.170 0.000 0.000 0.289 219 I C -1.508 174.547 176.117 -0.103 0.000 0.994 219 I CA -0.263 61.074 61.300 0.062 0.000 1.158 219 I CB 1.217 39.302 38.000 0.143 0.000 1.315 219 I HN 0.685 nan 8.210 nan 0.000 0.451 220 W N 7.189 128.534 121.300 0.076 0.000 2.448 220 W HA 0.682 5.342 4.660 0.000 0.000 0.339 220 W C -0.040 176.481 176.519 0.003 0.000 1.124 220 W CA -0.575 56.769 57.345 -0.001 0.000 1.262 220 W CB 1.162 30.622 29.460 0.000 0.000 1.251 220 W HN 0.255 nan 8.180 nan 0.000 0.597 221 I N 0.190 120.900 120.570 0.233 0.000 2.785 221 I HA 0.680 4.850 4.170 0.000 0.000 0.302 221 I C -0.890 175.293 176.117 0.111 0.000 1.069 221 I CA -1.335 60.029 61.300 0.105 0.000 1.045 221 I CB 2.281 40.281 38.000 0.000 0.000 1.236 221 I HN 0.304 nan 8.210 nan 0.000 0.429 222 K N 3.350 123.792 120.400 0.069 0.000 2.498 222 K HA 0.824 5.144 4.320 0.000 0.000 0.254 222 K C -1.038 175.624 176.600 0.102 0.000 0.933 222 K CA -0.352 55.977 56.287 0.069 0.000 0.806 222 K CB 2.485 35.006 32.500 0.035 0.000 1.301 222 K HN 1.167 nan 8.250 nan 0.000 0.432 223 G N 1.765 110.605 108.800 0.067 0.000 2.320 223 G HA2 0.103 4.064 3.960 0.000 0.000 0.296 223 G HA3 0.103 4.064 3.960 0.000 0.000 0.296 223 G C -1.444 173.471 174.900 0.024 0.000 1.306 223 G CA -0.834 44.316 45.100 0.084 0.000 0.836 223 G HN 0.738 nan 8.290 nan 0.000 0.517 224 N N -0.191 118.520 118.700 0.017 0.000 2.294 224 N HA 0.191 4.931 4.740 0.000 0.000 0.248 224 N C 0.500 175.998 175.510 -0.020 0.000 1.300 224 N CA 0.287 53.336 53.050 -0.002 0.000 0.925 224 N CB 0.431 38.919 38.487 0.001 0.000 1.188 224 N HN 0.335 nan 8.380 nan 0.000 0.512 225 D N -0.738 119.652 120.400 -0.018 0.000 2.123 225 D HA -0.228 4.412 4.640 0.000 0.000 0.196 225 D C 1.447 177.730 176.300 -0.027 0.000 0.992 225 D CA 1.591 55.579 54.000 -0.021 0.000 0.833 225 D CB -0.263 40.528 40.800 -0.014 0.000 0.954 225 D HN 0.880 nan 8.370 nan 0.000 0.455 226 E N 0.182 120.369 120.200 -0.022 0.000 2.072 226 E HA -0.144 4.206 4.350 0.000 0.000 0.191 226 E C 1.708 178.283 176.600 -0.042 0.000 0.985 226 E CA 1.523 57.911 56.400 -0.019 0.000 0.801 226 E CB -0.018 29.677 29.700 -0.007 0.000 0.750 226 E HN 0.046 nan 8.360 nan 0.000 0.452 227 T N 1.336 115.849 114.554 -0.068 0.000 2.777 227 T HA -0.083 4.267 4.350 0.000 0.000 0.266 227 T C 1.854 176.401 174.700 -0.256 0.000 1.040 227 T CA 1.215 63.219 62.100 -0.160 0.000 1.141 227 T CB -0.198 68.565 68.868 -0.175 0.000 0.868 227 T HN 0.147 nan 8.240 nan 0.000 0.444 228 L N 0.743 121.869 121.223 -0.161 0.000 2.079 228 L HA -0.128 4.212 4.340 0.000 0.000 0.210 228 L C 3.001 179.799 176.870 -0.119 0.000 1.081 228 L CA 1.262 56.014 54.840 -0.147 0.000 0.752 228 L CB -0.625 41.389 42.059 -0.074 0.000 0.896 228 L HN 0.251 nan 8.230 nan 0.000 0.433 229 A N -0.091 122.685 122.820 -0.073 0.000 1.930 229 A HA -0.198 4.122 4.320 0.000 0.000 0.217 229 A C 2.315 179.891 177.584 -0.013 0.000 1.175 229 A CA 1.512 53.533 52.037 -0.027 0.000 0.627 229 A CB -0.284 18.713 19.000 -0.005 0.000 0.815 229 A HN 0.314 nan 8.150 nan 0.000 0.443 230 K N -0.487 119.885 120.400 -0.047 0.000 2.097 230 K HA 0.009 4.329 4.320 0.000 0.000 0.205 230 K C 1.744 178.325 176.600 -0.031 0.000 1.050 230 K CA 1.314 57.615 56.287 0.024 0.000 0.938 230 K CB -0.297 32.281 32.500 0.130 0.000 0.718 230 K HN 0.528 nan 8.250 nan 0.000 0.442 231 I N 1.259 121.621 120.570 -0.347 0.000 2.252 231 I HA -0.283 3.888 4.170 0.000 0.000 0.245 231 I C 2.087 178.299 176.117 0.158 0.000 1.102 231 I CA 1.350 62.463 61.300 -0.312 0.000 1.385 231 I CB -0.142 37.525 38.000 -0.554 0.000 1.064 231 I HN 0.105 nan 8.210 nan 0.000 0.414 232 K N 0.766 121.226 120.400 0.099 0.000 2.057 232 K HA -0.229 4.091 4.320 0.000 0.000 0.207 232 K C 2.161 178.927 176.600 0.276 0.000 1.049 232 K CA 1.316 57.715 56.287 0.187 0.000 0.931 232 K CB -0.147 32.399 32.500 0.076 0.000 0.714 232 K HN 0.173 nan 8.250 nan 0.000 0.440 233 K N 0.901 121.424 120.400 0.204 0.000 2.057 233 K HA -0.128 4.192 4.320 0.000 0.000 0.207 233 K C 2.064 178.834 176.600 0.284 0.000 1.049 233 K CA 1.252 57.663 56.287 0.206 0.000 0.931 233 K CB -0.071 32.518 32.500 0.149 0.000 0.714 233 K HN 0.131 nan 8.250 nan 0.000 0.440 234 A N 1.284 124.326 122.820 0.371 0.000 1.898 234 A HA -0.182 4.139 4.320 0.000 0.000 0.216 234 A C 2.007 179.946 177.584 0.592 0.000 1.181 234 A CA 1.171 53.489 52.037 0.468 0.000 0.620 234 A CB -1.074 18.265 19.000 0.564 0.000 0.819 234 A HN 0.736 nan 8.150 nan 0.000 0.442 235 W N 1.413 122.985 121.300 0.453 0.000 2.333 235 W HA -0.206 4.454 4.660 0.000 0.000 0.316 235 W C 1.439 178.109 176.519 0.251 0.000 1.215 235 W CA 2.058 59.610 57.345 0.345 0.000 1.278 235 W CB -0.449 29.142 29.460 0.218 0.000 1.154 235 W HN 0.387 nan 8.180 nan 0.000 0.486 236 N N 0.771 119.691 118.700 0.367 0.000 2.223 236 N HA -0.146 4.595 4.740 0.000 0.000 0.185 236 N C 0.830 176.360 175.510 0.034 0.000 1.016 236 N CA 1.734 54.895 53.050 0.184 0.000 0.863 236 N CB -0.770 37.842 38.487 0.208 0.000 0.983 236 N HN 0.159 nan 8.380 nan 0.000 0.429 237 D N 0.353 120.805 120.400 0.087 0.000 2.339 237 D HA 0.075 4.715 4.640 0.000 0.000 0.217 237 D C 0.014 176.327 176.300 0.022 0.000 1.050 237 D CA 0.106 54.140 54.000 0.056 0.000 0.856 237 D CB 0.103 40.971 40.800 0.113 0.000 0.922 237 D HN 0.145 nan 8.370 nan 0.000 0.518 238 K N 0.855 121.226 120.400 -0.048 0.000 3.077 238 K HA -0.197 4.123 4.320 0.000 0.000 0.264 238 K C -0.509 176.338 176.600 0.411 0.000 1.008 238 K CA 0.411 56.668 56.287 -0.051 0.000 0.740 238 K CB -1.190 31.096 32.500 -0.357 0.000 1.273 238 K HN 0.096 nan 8.250 nan 0.000 0.477 239 D N 0.533 121.216 120.400 0.472 0.000 2.494 239 D HA 0.019 4.659 4.640 0.000 0.000 0.217 239 D C 0.882 177.387 176.300 0.341 0.000 1.153 239 D CA -0.505 53.707 54.000 0.353 0.000 0.954 239 D CB 0.015 40.961 40.800 0.243 0.000 1.034 239 D HN 0.387 nan 8.370 nan 0.000 0.518 240 W N 4.107 125.453 121.300 0.077 0.000 2.355 240 W HA -0.260 4.400 4.660 0.000 0.000 0.309 240 W C 1.271 177.721 176.519 -0.116 0.000 1.206 240 W CA 1.036 58.215 57.345 -0.278 0.000 1.284 240 W CB -0.103 29.268 29.460 -0.148 0.000 1.145 240 W HN 0.366 nan 8.180 nan 0.000 0.502 241 N N 0.042 118.631 118.700 -0.185 0.000 2.061 241 N HA -0.194 4.546 4.740 0.000 0.000 0.193 241 N C 1.682 176.978 175.510 -0.356 0.000 1.030 241 N CA 3.328 56.170 53.050 -0.347 0.000 0.856 241 N CB -0.782 37.623 38.487 -0.137 0.000 1.023 241 N HN -0.039 nan 8.380 nan 0.000 0.424 242 T N -0.465 113.990 114.554 -0.164 0.000 2.777 242 T HA -0.073 4.277 4.350 0.000 0.000 0.266 242 T C 1.526 176.173 174.700 -0.090 0.000 1.040 242 T CA 1.029 63.040 62.100 -0.148 0.000 1.141 242 T CB -0.540 68.346 68.868 0.029 0.000 0.868 242 T HN 0.302 nan 8.240 nan 0.000 0.444 243 F N 2.341 122.222 119.950 -0.115 0.000 2.051 243 F HA -0.093 4.434 4.527 0.000 0.000 0.296 243 F C 2.681 178.316 175.800 -0.275 0.000 1.122 243 F CA 1.444 59.438 58.000 -0.010 0.000 1.201 243 F CB -0.163 38.800 39.000 -0.062 0.000 0.978 243 F HN -0.134 nan 8.300 nan 0.000 0.472 244 R N 0.676 120.764 120.500 -0.687 0.000 2.103 244 R HA -0.214 4.127 4.340 0.000 0.000 0.242 244 R C 1.631 177.528 176.300 -0.672 0.000 1.142 244 R CA 1.913 57.432 56.100 -0.969 0.000 0.960 244 R CB -0.799 28.567 30.300 -1.555 0.000 0.858 244 R HN 0.320 nan 8.270 nan 0.000 0.439 245 N N 0.122 118.468 118.700 -0.590 0.000 2.573 245 N HA -0.106 4.635 4.740 0.000 0.000 0.187 245 N C 1.107 176.292 175.510 -0.541 0.000 1.107 245 N CA 0.653 53.387 53.050 -0.528 0.000 0.918 245 N CB -0.294 37.892 38.487 -0.501 0.000 0.966 245 N HN 0.184 nan 8.380 nan 0.000 0.448 246 F N 0.536 120.237 119.950 -0.415 0.000 2.451 246 F HA 0.131 4.658 4.527 0.000 0.000 0.299 246 F C 1.513 177.151 175.800 -0.270 0.000 1.101 246 F CA 0.587 58.389 58.000 -0.330 0.000 1.436 246 F CB -0.340 38.428 39.000 -0.388 0.000 1.074 246 F HN -0.020 nan 8.300 nan 0.000 0.553 247 G N 1.202 109.827 108.800 -0.292 0.000 3.421 247 G HA2 -0.146 3.814 3.960 0.000 0.000 0.686 247 G HA3 -0.146 3.814 3.960 0.000 0.000 0.686 247 G C -0.876 173.997 174.900 -0.046 0.000 1.056 247 G CA -0.931 43.941 45.100 -0.380 0.000 0.891 247 G HN 0.130 nan 8.290 nan 0.000 0.514 248 I N 2.936 123.469 120.570 -0.062 0.000 2.362 248 I HA 0.416 4.586 4.170 0.000 0.000 0.289 248 I C 0.752 176.862 176.117 -0.011 0.000 0.994 248 I CA -0.884 60.341 61.300 -0.126 0.000 1.158 248 I CB 1.471 39.265 38.000 -0.344 0.000 1.315 248 I HN 0.346 nan 8.210 nan 0.000 0.451 249 L N 6.875 128.014 121.223 -0.140 0.000 2.312 249 L HA 0.477 4.817 4.340 0.000 0.000 0.281 249 L C -0.380 176.322 176.870 -0.280 0.000 1.070 249 L CA -0.469 54.219 54.840 -0.252 0.000 0.805 249 L CB 0.783 42.693 42.059 -0.248 0.000 1.174 249 L HN 0.709 nan 8.230 nan 0.000 0.434 250 H N 0.444 119.433 119.070 -0.134 0.000 2.966 250 H HA 0.748 5.304 4.556 0.000 0.000 0.330 250 H C -0.255 175.200 175.328 0.211 0.000 1.292 250 H CA -0.690 55.383 56.048 0.041 0.000 1.127 250 H CB 1.007 30.842 29.762 0.121 0.000 1.863 250 H HN 0.526 nan 8.280 nan 0.000 0.543 251 G N -0.092 108.999 108.800 0.485 0.000 2.543 251 G HA2 0.344 4.304 3.960 0.000 0.000 0.267 251 G HA3 0.344 4.304 3.960 0.000 0.000 0.267 251 G C -0.678 174.505 174.900 0.471 0.000 1.406 251 G CA -1.236 44.080 45.100 0.359 0.000 1.048 251 G HN 0.631 nan 8.290 nan 0.000 0.548 252 K N 0.068 120.624 120.400 0.261 0.000 2.276 252 K HA 0.063 4.383 4.320 0.000 0.000 0.259 252 K C 0.815 177.388 176.600 -0.045 0.000 1.001 252 K CA 0.388 56.758 56.287 0.139 0.000 0.927 252 K CB 0.841 33.403 32.500 0.103 0.000 0.969 252 K HN 0.613 nan 8.250 nan 0.000 0.490 253 D N 0.381 120.564 120.400 -0.362 0.000 2.371 253 D HA -0.147 4.493 4.640 0.000 0.000 0.221 253 D C 0.700 176.776 176.300 -0.373 0.000 0.986 253 D CA 0.751 54.170 54.000 -0.969 0.000 0.899 253 D CB -0.196 40.086 40.800 -0.863 0.000 0.902 253 D HN 0.506 nan 8.370 nan 0.000 0.530 254 N N -0.457 118.190 118.700 -0.089 0.000 2.270 254 N HA -0.014 4.726 4.740 0.000 0.000 0.198 254 N C -0.108 175.441 175.510 0.065 0.000 1.117 254 N CA -0.312 52.762 53.050 0.040 0.000 0.845 254 N CB 0.009 38.581 38.487 0.141 0.000 0.980 254 N HN 0.043 nan 8.380 nan 0.000 0.486 255 S N -0.524 115.242 115.700 0.111 0.000 2.523 255 S HA 0.292 4.762 4.470 0.000 0.000 0.275 255 S C 0.882 175.619 174.600 0.229 0.000 1.281 255 S CA -0.542 57.755 58.200 0.163 0.000 1.050 255 S CB 0.670 64.013 63.200 0.240 0.000 0.937 255 S HN 0.286 nan 8.310 nan 0.000 0.492 256 S N 3.439 119.257 115.700 0.197 0.000 2.335 256 S HA -0.089 4.382 4.470 0.000 0.000 0.217 256 S C 2.079 176.789 174.600 0.182 0.000 1.032 256 S CA 1.368 59.700 58.200 0.220 0.000 0.985 256 S CB -0.507 62.839 63.200 0.243 0.000 0.896 256 S HN 0.962 nan 8.310 nan 0.000 0.445 257 S N 0.902 116.727 115.700 0.208 0.000 2.562 257 S HA 0.194 4.664 4.470 0.000 0.000 0.221 257 S C 0.988 175.736 174.600 0.247 0.000 0.975 257 S CA 0.267 58.581 58.200 0.189 0.000 0.918 257 S CB -0.140 63.262 63.200 0.337 0.000 0.772 257 S HN 0.357 nan 8.310 nan 0.000 0.531 258 K N -0.855 119.733 120.400 0.314 0.000 2.469 258 K HA 0.423 4.743 4.320 0.000 0.000 0.204 258 K C -0.250 176.714 176.600 0.607 0.000 1.047 258 K CA -0.118 56.427 56.287 0.429 0.000 1.072 258 K CB 0.511 33.241 32.500 0.384 0.000 0.863 258 K HN 0.360 nan 8.250 nan 0.000 0.530 259 F N -0.251 119.868 119.950 0.282 0.000 1.788 259 F HA 0.127 4.655 4.527 0.000 0.000 0.235 259 F C 0.688 176.552 175.800 0.107 0.000 1.248 259 F CA 0.050 58.228 58.000 0.296 0.000 1.301 259 F CB 0.528 39.698 39.000 0.283 0.000 1.951 259 F HN -0.338 nan 8.300 nan 0.000 0.199 260 K N 1.011 121.648 120.400 0.396 0.000 2.057 260 K HA 0.011 4.332 4.320 0.000 0.000 0.206 260 K C 1.808 178.433 176.600 0.042 0.000 1.050 260 K CA 1.868 58.306 56.287 0.252 0.000 0.935 260 K CB -0.223 32.431 32.500 0.258 0.000 0.715 260 K HN 0.300 nan 8.250 nan 0.000 0.439 261 L N 0.917 122.138 121.223 -0.005 0.000 2.093 261 L HA -0.182 4.159 4.340 0.000 0.000 0.208 261 L C 2.009 178.787 176.870 -0.154 0.000 1.085 261 L CA 1.218 56.010 54.840 -0.080 0.000 0.755 261 L CB -0.244 41.765 42.059 -0.084 0.000 0.904 261 L HN 0.124 nan 8.230 nan 0.000 0.435 262 E N -0.118 119.901 120.200 -0.302 0.000 2.107 262 E HA -0.230 4.120 4.350 0.000 0.000 0.191 262 E C 1.972 178.377 176.600 -0.325 0.000 0.982 262 E CA 0.904 56.998 56.400 -0.510 0.000 0.809 262 E CB -0.085 28.772 29.700 -1.405 0.000 0.756 262 E HN 0.403 nan 8.360 nan 0.000 0.459 263 E N 0.306 120.351 120.200 -0.260 0.000 2.070 263 E HA -0.245 4.105 4.350 0.000 0.000 0.197 263 E C 1.572 178.185 176.600 0.022 0.000 1.004 263 E CA 1.870 58.251 56.400 -0.033 0.000 0.805 263 E CB -0.046 29.660 29.700 0.011 0.000 0.744 263 E HN 0.178 nan 8.360 nan 0.000 0.451 264 T N 1.470 115.998 114.554 -0.043 0.000 2.684 264 T HA -0.151 4.199 4.350 0.000 0.000 0.267 264 T C 1.834 176.461 174.700 -0.122 0.000 1.036 264 T CA 1.364 63.418 62.100 -0.078 0.000 1.148 264 T CB -0.122 68.695 68.868 -0.085 0.000 0.863 264 T HN 0.174 nan 8.240 nan 0.000 0.436 265 I N 1.146 121.649 120.570 -0.111 0.000 2.226 265 I HA -0.087 4.083 4.170 0.000 0.000 0.245 265 I C 2.351 178.409 176.117 -0.098 0.000 1.100 265 I CA 1.237 62.438 61.300 -0.166 0.000 1.374 265 I CB -1.362 36.616 38.000 -0.036 0.000 1.057 265 I HN 0.285 nan 8.210 nan 0.000 0.413 266 L N 0.222 121.517 121.223 0.120 0.000 2.046 266 L HA -0.227 4.113 4.340 0.000 0.000 0.208 266 L C 2.571 179.570 176.870 0.216 0.000 1.077 266 L CA 1.344 56.395 54.840 0.352 0.000 0.747 266 L CB -0.604 41.724 42.059 0.449 0.000 0.896 266 L HN 0.187 nan 8.230 nan 0.000 0.432 267 K N 0.344 120.741 120.400 -0.005 0.000 2.057 267 K HA -0.144 4.176 4.320 0.000 0.000 0.206 267 K C 1.876 178.279 176.600 -0.329 0.000 1.050 267 K CA 1.347 57.392 56.287 -0.403 0.000 0.935 267 K CB 0.046 32.295 32.500 -0.418 0.000 0.715 267 K HN 0.182 nan 8.250 nan 0.000 0.439 268 N N -0.329 118.183 118.700 -0.314 0.000 2.309 268 N HA -0.136 4.605 4.740 0.000 0.000 0.182 268 N C 1.485 176.761 175.510 -0.390 0.000 1.018 268 N CA 1.096 53.925 53.050 -0.370 0.000 0.876 268 N CB -0.209 37.968 38.487 -0.517 0.000 0.972 268 N HN 0.373 nan 8.380 nan 0.000 0.434 269 H N -0.598 118.131 119.070 -0.569 0.000 2.306 269 H HA 0.179 4.736 4.556 0.000 0.000 0.307 269 H C 0.094 175.025 175.328 -0.661 0.000 1.061 269 H CA 1.046 56.698 56.048 -0.660 0.000 1.359 269 H CB -0.181 28.956 29.762 -1.040 0.000 1.407 269 H HN 0.016 nan 8.280 nan 0.000 0.517 270 F N 2.515 122.278 119.950 -0.312 0.000 2.833 270 F HA 0.181 4.708 4.527 0.000 0.000 0.327 270 F C 0.336 175.957 175.800 -0.298 0.000 1.184 270 F CA -0.406 57.436 58.000 -0.263 0.000 1.328 270 F CB -0.621 38.349 39.000 -0.049 0.000 1.440 270 F HN 0.153 nan 8.300 nan 0.000 0.569 271 Q N 0.932 120.603 119.800 -0.216 0.000 2.354 271 Q HA -0.096 4.244 4.340 0.000 0.000 0.310 271 Q C 0.709 176.614 176.000 -0.158 0.000 1.104 271 Q CA 0.479 56.151 55.803 -0.219 0.000 0.968 271 Q CB 0.138 28.765 28.738 -0.186 0.000 1.251 271 Q HN 0.458 nan 8.270 nan 0.000 0.411 272 N N 0.183 118.775 118.700 -0.180 0.000 2.929 272 N HA -0.194 4.546 4.740 0.000 0.000 0.234 272 N C 0.218 175.675 175.510 -0.087 0.000 0.908 272 N CA 1.527 54.504 53.050 -0.121 0.000 0.993 272 N CB -0.654 37.791 38.487 -0.070 0.000 1.075 272 N HN 0.526 nan 8.380 nan 0.000 0.603 273 K N 0.244 120.589 120.400 -0.092 0.000 2.305 273 K HA 0.149 4.469 4.320 0.000 0.000 0.199 273 K C 0.939 177.590 176.600 0.085 0.000 1.047 273 K CA 0.693 57.011 56.287 0.051 0.000 0.976 273 K CB 0.068 32.680 32.500 0.187 0.000 0.765 273 K HN 0.549 nan 8.250 nan 0.000 0.474 274 F N -2.697 117.117 119.950 -0.228 0.000 2.686 274 F HA 0.287 4.815 4.527 0.000 0.000 0.311 274 F C 1.008 176.734 175.800 -0.124 0.000 1.128 274 F CA -0.829 57.072 58.000 -0.163 0.000 0.946 274 F CB 0.667 39.495 39.000 -0.287 0.000 1.336 274 F HN -0.157 nan 8.300 nan 0.000 0.457 275 T N -1.993 112.598 114.554 0.062 0.000 2.837 275 T HA 0.341 4.692 4.350 0.000 0.000 0.248 275 T C 0.614 175.350 174.700 0.061 0.000 1.033 275 T CA 1.224 63.314 62.100 -0.017 0.000 1.150 275 T CB -0.436 68.467 68.868 0.058 0.000 0.865 275 T HN 1.094 nan 8.240 nan 0.000 0.425 276 T N -1.409 113.323 114.554 0.297 0.000 2.883 276 T HA 0.608 4.958 4.350 0.000 0.000 0.301 276 T C 0.833 175.755 174.700 0.369 0.000 1.158 276 T CA -0.936 61.363 62.100 0.331 0.000 1.007 276 T CB 1.452 70.440 68.868 0.200 0.000 1.186 276 T HN 0.064 nan 8.240 nan 0.000 0.499 277 L N 0.854 122.250 121.223 0.287 0.000 2.083 277 L HA -0.091 4.249 4.340 0.000 0.000 0.209 277 L C 2.429 179.319 176.870 0.032 0.000 1.083 277 L CA 1.264 56.154 54.840 0.084 0.000 0.752 277 L CB -0.647 41.406 42.059 -0.009 0.000 0.899 277 L HN 0.665 nan 8.230 nan 0.000 0.433 278 N N 0.098 118.890 118.700 0.153 0.000 2.120 278 N HA -0.184 4.556 4.740 0.000 0.000 0.188 278 N C 1.761 177.289 175.510 0.030 0.000 1.024 278 N CA 1.145 54.232 53.050 0.062 0.000 0.852 278 N CB -0.071 38.466 38.487 0.084 0.000 1.003 278 N HN 0.354 nan 8.380 nan 0.000 0.424 279 E N 0.065 120.319 120.200 0.089 0.000 2.072 279 E HA -0.170 4.180 4.350 0.000 0.000 0.191 279 E C 1.185 177.856 176.600 0.119 0.000 0.985 279 E CA 0.968 57.426 56.400 0.096 0.000 0.801 279 E CB -0.066 29.708 29.700 0.124 0.000 0.750 279 E HN 0.341 nan 8.360 nan 0.000 0.452 280 D N 0.283 120.788 120.400 0.175 0.000 2.117 280 D HA -0.190 4.450 4.640 0.000 0.000 0.197 280 D C 2.065 178.515 176.300 0.250 0.000 0.987 280 D CA 1.154 55.338 54.000 0.306 0.000 0.829 280 D CB 0.044 41.051 40.800 0.345 0.000 0.961 280 D HN -0.030 nan 8.370 nan 0.000 0.460 281 R N -0.141 120.295 120.500 -0.107 0.000 2.120 281 R HA -0.064 4.276 4.340 0.000 0.000 0.234 281 R C 1.833 178.126 176.300 -0.011 0.000 1.123 281 R CA 1.473 57.425 56.100 -0.246 0.000 0.975 281 R CB -0.152 29.719 30.300 -0.715 0.000 0.866 281 R HN 0.051 nan 8.270 nan 0.000 0.446 282 S N -0.038 115.653 115.700 -0.015 0.000 2.447 282 S HA -0.028 4.443 4.470 0.000 0.000 0.233 282 S C 1.568 176.145 174.600 -0.039 0.000 1.006 282 S CA 0.992 59.188 58.200 -0.008 0.000 0.957 282 S CB 0.261 63.461 63.200 0.000 0.000 0.773 282 S HN 0.564 nan 8.310 nan 0.000 0.507 283 A N 0.226 122.990 122.820 -0.093 0.000 2.252 283 A HA 0.236 4.556 4.320 0.000 0.000 0.213 283 A C 0.354 177.590 177.584 -0.580 0.000 1.188 283 A CA 0.135 51.976 52.037 -0.327 0.000 0.863 283 A CB -0.017 18.734 19.000 -0.416 0.000 0.893 283 A HN 0.545 nan 8.150 nan 0.000 0.495 284 H N -0.920 118.225 119.070 0.125 0.000 2.616 284 H HA 0.209 4.765 4.556 0.000 0.000 0.229 284 H C -2.123 173.332 175.328 0.213 0.000 1.418 284 H CA -1.199 54.935 56.048 0.143 0.000 1.248 284 H CB 0.739 30.594 29.762 0.155 0.000 1.822 284 H HN 0.242 nan 8.280 nan 0.000 0.522 285 P HA -0.115 nan 4.420 nan 0.000 0.221 285 P C 0.828 178.283 177.300 0.260 0.000 1.150 285 P CA 0.936 64.171 63.100 0.225 0.000 0.800 285 P CB 0.588 32.362 31.700 0.123 0.000 0.787 286 N N -0.032 118.779 118.700 0.187 0.000 2.521 286 N HA 0.031 4.771 4.740 0.000 0.000 0.188 286 N C 1.397 176.979 175.510 0.120 0.000 1.146 286 N CA 0.531 53.674 53.050 0.154 0.000 0.893 286 N CB -0.138 38.388 38.487 0.065 0.000 0.975 286 N HN 0.133 nan 8.380 nan 0.000 0.451 287 A N -0.550 122.342 122.820 0.119 0.000 2.275 287 A HA 0.156 4.476 4.320 0.000 0.000 0.212 287 A C -0.293 177.216 177.584 -0.125 0.000 1.201 287 A CA 0.223 52.185 52.037 -0.125 0.000 0.843 287 A CB 0.049 18.896 19.000 -0.256 0.000 0.873 287 A HN 0.147 nan 8.150 nan 0.000 0.492 288 Y N -1.321 119.185 120.300 0.344 0.000 2.524 288 Y HA 0.623 5.173 4.550 0.000 0.000 0.347 288 Y C -0.097 175.966 175.900 0.271 0.000 1.005 288 Y CA -0.903 57.417 58.100 0.366 0.000 1.025 288 Y CB 1.946 40.573 38.460 0.278 0.000 1.275 288 Y HN 0.062 nan 8.280 nan 0.000 0.460 289 K N 1.806 122.299 120.400 0.154 0.000 2.542 289 K HA 0.251 4.572 4.320 0.000 0.000 0.259 289 K C -1.698 174.573 176.600 -0.547 0.000 0.932 289 K CA -0.791 55.346 56.287 -0.250 0.000 0.820 289 K CB 2.131 34.172 32.500 -0.765 0.000 1.345 289 K HN 0.779 nan 8.250 nan 0.000 0.432 290 Q N 4.478 123.994 119.800 -0.473 0.000 2.377 290 Q HA 0.218 4.558 4.340 0.000 0.000 0.249 290 Q C -1.263 174.543 176.000 -0.323 0.000 1.005 290 Q CA -0.042 55.428 55.803 -0.556 0.000 0.912 290 Q CB 0.632 29.226 28.738 -0.239 0.000 1.223 290 Q HN 0.368 nan 8.270 nan 0.000 0.459 291 K N 1.736 121.946 120.400 -0.316 0.000 2.568 291 K HA 0.196 4.517 4.320 0.000 0.000 0.273 291 K C -1.107 175.397 176.600 -0.160 0.000 0.951 291 K CA -0.659 55.496 56.287 -0.221 0.000 0.854 291 K CB 1.883 34.221 32.500 -0.270 0.000 1.424 291 K HN 0.518 nan 8.250 nan 0.000 0.427 292 S N 0.540 116.167 115.700 -0.122 0.000 2.562 292 S HA 0.190 4.660 4.470 0.000 0.000 0.281 292 S C 1.335 175.833 174.600 -0.170 0.000 1.333 292 S CA 0.481 58.622 58.200 -0.098 0.000 1.052 292 S CB 0.799 63.940 63.200 -0.098 0.000 0.884 292 S HN 0.622 nan 8.310 nan 0.000 0.506 293 A N 3.508 126.248 122.820 -0.133 0.000 2.024 293 A HA -0.119 4.201 4.320 0.000 0.000 0.220 293 A C 1.535 178.820 177.584 -0.498 0.000 1.164 293 A CA 1.858 53.762 52.037 -0.222 0.000 0.643 293 A CB -0.763 18.195 19.000 -0.069 0.000 0.806 293 A HN 0.972 nan 8.150 nan 0.000 0.451 294 D N -0.607 119.387 120.400 -0.676 0.000 2.378 294 D HA -0.084 4.556 4.640 0.000 0.000 0.227 294 D C 1.278 177.199 176.300 -0.632 0.000 1.012 294 D CA 1.364 54.658 54.000 -1.177 0.000 0.905 294 D CB -0.979 38.899 40.800 -1.536 0.000 0.895 294 D HN 0.454 nan 8.370 nan 0.000 0.532 295 T N -2.924 111.391 114.554 -0.399 0.000 3.069 295 T HA 0.116 4.466 4.350 0.000 0.000 0.252 295 T C 1.564 176.124 174.700 -0.232 0.000 1.053 295 T CA -0.377 61.559 62.100 -0.273 0.000 0.964 295 T CB -0.284 68.456 68.868 -0.214 0.000 1.005 295 T HN 0.043 nan 8.240 nan 0.000 0.532 296 L N 2.517 123.588 121.223 -0.253 0.000 2.081 296 L HA 0.161 4.501 4.340 0.000 0.000 0.212 296 L C 2.452 179.232 176.870 -0.150 0.000 1.080 296 L CA 2.074 56.803 54.840 -0.185 0.000 0.754 296 L CB -1.123 40.830 42.059 -0.176 0.000 0.893 296 L HN 0.419 nan 8.230 nan 0.000 0.433 297 G N -2.302 106.407 108.800 -0.150 0.000 2.509 297 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 297 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 297 G C 1.390 176.232 174.900 -0.098 0.000 1.124 297 G CA 1.045 46.079 45.100 -0.109 0.000 0.776 297 G HN 0.542 nan 8.290 nan 0.000 0.547 298 T N -1.699 112.790 114.554 -0.108 0.000 3.081 298 T HA 0.392 4.742 4.350 0.000 0.000 0.250 298 T C 0.678 175.335 174.700 -0.072 0.000 1.100 298 T CA -0.199 61.849 62.100 -0.087 0.000 1.038 298 T CB -0.031 68.781 68.868 -0.094 0.000 0.962 298 T HN 0.048 nan 8.240 nan 0.000 0.516 299 L N 1.986 123.164 121.223 -0.075 0.000 2.318 299 L HA 0.474 4.814 4.340 0.000 0.000 0.277 299 L C 0.109 176.948 176.870 -0.051 0.000 1.008 299 L CA -0.831 53.995 54.840 -0.025 0.000 0.846 299 L CB 1.627 43.693 42.059 0.012 0.000 1.220 299 L HN -0.088 nan 8.230 nan 0.000 0.423 300 D N 0.520 120.894 120.400 -0.043 0.000 2.312 300 D HA -0.098 4.542 4.640 0.000 0.000 0.211 300 D C 0.746 176.960 176.300 -0.144 0.000 0.964 300 D CA 1.089 55.038 54.000 -0.085 0.000 0.877 300 D CB 0.345 41.129 40.800 -0.027 0.000 0.924 300 D HN 0.481 nan 8.370 nan 0.000 0.515 301 D N -0.852 119.475 120.400 -0.122 0.000 2.340 301 D HA 0.076 4.716 4.640 0.000 0.000 0.217 301 D C -0.291 175.568 176.300 -0.736 0.000 1.081 301 D CA 0.003 53.828 54.000 -0.291 0.000 0.842 301 D CB 0.196 40.830 40.800 -0.277 0.000 0.934 301 D HN 0.132 nan 8.370 nan 0.000 0.511 302 F N -0.758 118.988 119.950 -0.339 0.000 2.529 302 F HA 0.312 4.840 4.527 0.001 0.000 0.320 302 F C 0.788 176.245 175.800 -0.571 0.000 1.118 302 F CA -0.738 57.078 58.000 -0.307 0.000 0.915 302 F CB 1.666 40.534 39.000 -0.220 0.000 1.161 302 F HN -0.164 nan 8.300 nan 0.000 0.445 303 H N 1.999 121.075 119.070 0.009 0.000 3.398 303 H HA 0.465 5.021 4.556 0.001 0.000 0.260 303 H C -0.659 174.625 175.328 -0.074 0.000 1.189 303 H CA 0.022 56.044 56.048 -0.044 0.000 1.145 303 H CB 0.666 30.369 29.762 -0.099 0.000 1.599 303 H HN 0.310 nan 8.280 nan 0.000 0.615 304 I N 0.794 121.379 120.570 0.024 0.000 2.608 304 I HA 0.704 4.875 4.170 0.000 0.000 0.295 304 I C -0.732 175.402 176.117 0.028 0.000 1.049 304 I CA -1.060 60.247 61.300 0.012 0.000 1.063 304 I CB 2.228 40.160 38.000 -0.112 0.000 1.248 304 I HN 0.097 nan 8.210 nan 0.000 0.424 305 A N 4.725 127.634 122.820 0.148 0.000 2.549 305 A HA 0.843 5.163 4.320 0.000 0.000 0.297 305 A C -1.502 176.344 177.584 0.437 0.000 1.061 305 A CA -0.410 51.700 52.037 0.123 0.000 0.690 305 A CB 1.141 20.191 19.000 0.083 0.000 1.287 305 A HN 0.389 nan 8.150 nan 0.000 0.402 306 F N 1.447 121.551 119.950 0.257 0.000 2.399 306 F HA 0.786 5.313 4.527 0.000 0.000 0.334 306 F C 1.032 177.009 175.800 0.294 0.000 1.097 306 F CA -0.774 57.383 58.000 0.261 0.000 1.076 306 F CB 1.776 40.913 39.000 0.228 0.000 1.162 306 F HN 0.800 nan 8.300 nan 0.000 0.495 307 S N 0.381 116.379 115.700 0.496 0.000 2.643 307 S HA 0.580 5.050 4.470 0.000 0.000 0.270 307 S C -1.353 173.452 174.600 0.342 0.000 1.166 307 S CA -1.207 57.247 58.200 0.422 0.000 0.815 307 S CB 1.297 64.802 63.200 0.508 0.000 1.139 307 S HN 0.374 nan 8.310 nan 0.000 0.472 308 E N 1.607 122.037 120.200 0.383 0.000 2.442 308 E HA 0.171 4.522 4.350 0.000 0.000 0.262 308 E C 0.048 176.829 176.600 0.301 0.000 1.004 308 E CA 0.047 56.709 56.400 0.436 0.000 0.928 308 E CB 0.230 30.335 29.700 0.676 0.000 0.937 308 E HN 0.615 nan 8.360 nan 0.000 0.446 309 E N 1.709 122.076 120.200 0.278 0.000 2.558 309 E HA -0.002 4.348 4.350 0.000 0.000 0.255 309 E C 0.537 177.141 176.600 0.007 0.000 0.968 309 E CA 0.701 57.173 56.400 0.120 0.000 0.939 309 E CB -0.013 29.826 29.700 0.232 0.000 0.921 309 E HN 0.730 nan 8.360 nan 0.000 0.477 310 G N 3.472 111.982 108.800 -0.483 0.000 2.198 310 G HA2 -0.371 3.589 3.960 0.000 0.000 0.260 310 G HA3 -0.371 3.589 3.960 0.000 0.000 0.260 310 G C 0.807 175.006 174.900 -1.168 0.000 1.025 310 G CA 0.857 45.233 45.100 -1.206 0.000 0.769 310 G HN 0.767 nan 8.290 nan 0.000 0.507 311 S N -0.203 114.985 115.700 -0.853 0.000 2.419 311 S HA -0.131 4.340 4.470 0.000 0.000 0.235 311 S C 2.054 176.070 174.600 -0.974 0.000 1.019 311 S CA 1.941 59.401 58.200 -1.233 0.000 0.982 311 S CB -0.670 62.362 63.200 -0.280 0.000 0.789 311 S HN 1.344 nan 8.310 nan 0.000 0.490 312 F N 2.117 121.825 119.950 -0.402 0.000 2.333 312 F HA 0.348 4.875 4.527 0.000 0.000 0.300 312 F C 2.323 178.249 175.800 0.210 0.000 1.083 312 F CA -0.098 57.712 58.000 -0.316 0.000 1.395 312 F CB -1.181 37.262 39.000 -0.928 0.000 1.056 312 F HN 0.278 nan 8.300 nan 0.000 0.529 313 A N 0.682 123.515 122.820 0.021 0.000 2.015 313 A HA -0.078 4.242 4.320 0.000 0.000 0.219 313 A C 1.423 179.561 177.584 0.923 0.000 1.163 313 A CA 1.178 53.627 52.037 0.688 0.000 0.646 313 A CB -1.437 17.911 19.000 0.580 0.000 0.806 313 A HN 0.803 nan 8.150 nan 0.000 0.448 314 W N -1.768 119.935 121.300 0.672 0.000 2.926 314 W HA 0.540 5.200 4.660 0.000 0.000 0.419 314 W C -0.701 176.199 176.519 0.635 0.000 0.993 314 W CA -0.239 57.469 57.345 0.605 0.000 2.025 314 W CB -0.867 28.820 29.460 0.380 0.000 1.152 314 W HN -0.101 nan 8.180 nan 0.000 0.659 315 T N 1.752 116.682 114.554 0.627 0.000 2.842 315 T HA 0.110 4.461 4.350 0.000 0.000 0.308 315 T C -0.766 174.234 174.700 0.499 0.000 1.041 315 T CA -0.328 62.083 62.100 0.519 0.000 0.964 315 T CB 0.486 69.626 68.868 0.453 0.000 0.972 315 T HN 0.147 nan 8.240 nan 0.000 0.460 316 H N 4.026 123.104 119.070 0.013 0.000 2.886 316 H HA 0.045 4.601 4.556 0.000 0.000 0.329 316 H C 1.109 176.394 175.328 -0.071 0.000 1.044 316 H CA -0.326 55.438 56.048 -0.472 0.000 1.456 316 H CB 0.856 30.199 29.762 -0.698 0.000 1.464 316 H HN 0.609 nan 8.280 nan 0.000 0.573 317 N N 4.329 122.804 118.700 -0.374 0.000 2.494 317 N HA -0.119 4.622 4.740 0.000 0.000 0.182 317 N C 0.516 175.760 175.510 -0.444 0.000 1.076 317 N CA 0.473 53.273 53.050 -0.417 0.000 0.908 317 N CB 0.126 38.035 38.487 -0.963 0.000 0.967 317 N HN 0.447 nan 8.380 nan 0.000 0.449 318 K N 0.516 120.459 120.400 -0.761 0.000 2.487 318 K HA 0.075 4.396 4.320 0.000 0.000 0.192 318 K C 0.445 176.924 176.600 -0.201 0.000 1.027 318 K CA -0.039 55.969 56.287 -0.465 0.000 1.054 318 K CB -0.345 31.870 32.500 -0.474 0.000 0.824 318 K HN 0.290 nan 8.250 nan 0.000 0.510 319 S N 0.749 116.372 115.700 -0.127 0.000 2.558 319 S HA 0.076 4.546 4.470 0.000 0.000 0.291 319 S C 1.405 175.998 174.600 -0.012 0.000 1.306 319 S CA 0.235 58.441 58.200 0.010 0.000 1.056 319 S CB 0.885 64.123 63.200 0.063 0.000 0.836 319 S HN 0.341 nan 8.310 nan 0.000 0.504 320 A N 3.611 126.435 122.820 0.007 0.000 2.125 320 A HA -0.009 4.311 4.320 0.000 0.000 0.219 320 A C 2.239 179.813 177.584 -0.018 0.000 1.156 320 A CA 1.741 53.774 52.037 -0.007 0.000 0.671 320 A CB -1.368 17.634 19.000 0.003 0.000 0.794 320 A HN 1.191 nan 8.150 nan 0.000 0.459 321 T N -3.295 111.251 114.554 -0.014 0.000 3.113 321 T HA 0.058 4.408 4.350 0.000 0.000 0.263 321 T C 0.590 175.259 174.700 -0.053 0.000 1.143 321 T CA 0.746 62.827 62.100 -0.033 0.000 1.090 321 T CB -0.505 68.343 68.868 -0.033 0.000 0.922 321 T HN 0.455 nan 8.240 nan 0.000 0.521 322 K N 1.041 121.415 120.400 -0.044 0.000 3.393 322 K HA -0.094 4.227 4.320 0.000 0.000 0.272 322 K C -2.721 173.849 176.600 -0.051 0.000 1.004 322 K CA 0.584 56.843 56.287 -0.048 0.000 0.764 322 K CB -1.530 30.936 32.500 -0.057 0.000 1.373 322 K HN 0.442 nan 8.250 nan 0.000 0.458 323 P HA 0.055 nan 4.420 nan 0.000 0.271 323 P C 0.156 177.484 177.300 0.047 0.000 1.216 323 P CA 0.088 63.118 63.100 -0.118 0.000 0.771 323 P CB 0.250 31.948 31.700 -0.003 0.000 0.864 324 F N -1.768 118.101 119.950 -0.135 0.000 2.794 324 F HA -0.217 4.311 4.527 0.000 0.000 0.335 324 F C 0.880 176.597 175.800 -0.138 0.000 0.653 324 F CA 0.967 58.844 58.000 -0.205 0.000 1.266 324 F CB -2.152 36.680 39.000 -0.280 0.000 1.666 324 F HN 0.331 nan 8.300 nan 0.000 0.314 325 E N 1.533 121.731 120.200 -0.004 0.000 2.414 325 E HA 0.366 4.717 4.350 0.000 0.000 0.263 325 E C 0.567 177.133 176.600 -0.056 0.000 1.000 325 E CA 0.668 57.048 56.400 -0.033 0.000 0.914 325 E CB 0.752 30.420 29.700 -0.052 0.000 0.948 325 E HN 0.281 nan 8.360 nan 0.000 0.444 326 T N 1.102 115.623 114.554 -0.054 0.000 2.916 326 T HA 0.431 4.781 4.350 0.000 0.000 0.292 326 T C -0.250 174.421 174.700 -0.049 0.000 1.064 326 T CA -1.168 60.901 62.100 -0.052 0.000 1.011 326 T CB 1.230 70.073 68.868 -0.041 0.000 1.152 326 T HN 0.370 nan 8.240 nan 0.000 0.510 327 K N 0.185 120.561 120.400 -0.041 0.000 2.344 327 K HA 0.405 4.725 4.320 0.000 0.000 0.260 327 K C 1.683 178.262 176.600 -0.035 0.000 0.988 327 K CA 0.104 56.370 56.287 -0.035 0.000 0.909 327 K CB 0.145 32.629 32.500 -0.025 0.000 0.968 327 K HN 0.722 nan 8.250 nan 0.000 0.505 328 A N 2.150 124.951 122.820 -0.033 0.000 1.908 328 A HA -0.199 4.121 4.320 0.000 0.000 0.218 328 A C 1.389 178.955 177.584 -0.030 0.000 1.181 328 A CA 2.095 54.111 52.037 -0.034 0.000 0.627 328 A CB -0.537 18.445 19.000 -0.030 0.000 0.818 328 A HN 0.888 nan 8.150 nan 0.000 0.445 329 N N 0.115 118.802 118.700 -0.022 0.000 2.279 329 N HA 0.085 4.825 4.740 0.000 0.000 0.226 329 N C -0.441 175.061 175.510 -0.014 0.000 1.126 329 N CA -0.019 53.020 53.050 -0.018 0.000 0.846 329 N CB 0.033 38.512 38.487 -0.014 0.000 1.050 329 N HN 0.600 nan 8.380 nan 0.000 0.502 330 E N 0.291 120.481 120.200 -0.016 0.000 2.263 330 E HA 0.483 4.833 4.350 0.000 0.000 0.264 330 E C -0.811 175.780 176.600 -0.015 0.000 0.923 330 E CA -0.763 55.632 56.400 -0.008 0.000 0.802 330 E CB 1.998 31.699 29.700 0.002 0.000 1.228 330 E HN 0.123 nan 8.360 nan 0.000 0.417 331 K N 1.095 121.493 120.400 -0.003 0.000 2.477 331 K HA 0.509 4.830 4.320 0.000 0.000 0.255 331 K C -0.971 175.653 176.600 0.040 0.000 0.952 331 K CA -0.728 55.561 56.287 0.003 0.000 0.826 331 K CB 2.490 34.991 32.500 0.002 0.000 1.331 331 K HN 0.333 nan 8.250 nan 0.000 0.437 332 M N 2.720 122.369 119.600 0.082 0.000 2.294 332 M HA 0.225 4.705 4.480 0.000 0.000 0.335 332 M C -1.259 175.233 176.300 0.320 0.000 1.079 332 M CA -0.091 55.306 55.300 0.162 0.000 0.982 332 M CB 1.345 33.998 32.600 0.089 0.000 1.651 332 M HN 0.700 nan 8.290 nan 0.000 0.437 333 E N 3.445 123.849 120.200 0.340 0.000 2.413 333 E HA 0.727 5.077 4.350 0.000 0.000 0.277 333 E C -1.637 175.025 176.600 0.102 0.000 0.958 333 E CA -1.249 55.308 56.400 0.260 0.000 0.779 333 E CB 1.589 31.340 29.700 0.086 0.000 1.278 333 E HN 0.686 nan 8.360 nan 0.000 0.456 334 A N 1.638 124.301 122.820 -0.261 0.000 2.409 334 A HA 0.287 4.608 4.320 0.000 0.000 0.262 334 A C 0.369 177.759 177.584 -0.323 0.000 1.113 334 A CA -0.474 51.239 52.037 -0.540 0.000 0.790 334 A CB 0.409 18.985 19.000 -0.706 0.000 1.046 334 A HN 0.656 nan 8.150 nan 0.000 0.496 335 L N 3.109 124.138 121.223 -0.323 0.000 2.200 335 L HA 0.580 4.920 4.340 0.000 0.000 0.200 335 L C 0.444 177.074 176.870 -0.399 0.000 1.072 335 L CA 1.283 55.913 54.840 -0.350 0.000 0.787 335 L CB 0.059 41.905 42.059 -0.354 0.000 0.957 335 L HN 0.725 nan 8.230 nan 0.000 0.459 336 I N -0.931 119.427 120.570 -0.354 0.000 2.882 336 I HA 0.327 4.498 4.170 0.000 0.000 0.298 336 I C -0.917 175.077 176.117 -0.204 0.000 1.462 336 I CA -0.892 60.254 61.300 -0.257 0.000 1.000 336 I CB 1.954 39.812 38.000 -0.238 0.000 1.340 336 I HN -0.061 nan 8.210 nan 0.000 0.462 337 V N 1.850 121.682 119.914 -0.136 0.000 3.463 337 V HA 0.781 4.901 4.120 0.000 0.000 0.302 337 V C 0.210 176.277 176.094 -0.046 0.000 1.097 337 V CA 0.358 62.596 62.300 -0.103 0.000 1.003 337 V CB 1.240 33.023 31.823 -0.068 0.000 1.229 337 V HN 0.871 nan 8.190 nan 0.000 0.444 338 T N -1.134 113.393 114.554 -0.044 0.000 2.889 338 T HA 0.481 4.832 4.350 0.000 0.000 0.278 338 T C 0.034 174.703 174.700 -0.051 0.000 0.995 338 T CA -0.862 61.215 62.100 -0.038 0.000 0.966 338 T CB 0.865 69.689 68.868 -0.073 0.000 1.237 338 T HN 0.781 nan 8.240 nan 0.000 0.591 339 N N 2.505 121.176 118.700 -0.048 0.000 2.415 339 N HA 0.353 5.093 4.740 0.000 0.000 0.248 339 N C -2.389 173.032 175.510 -0.148 0.000 1.271 339 N CA -1.297 51.683 53.050 -0.116 0.000 0.913 339 N CB 0.166 38.696 38.487 0.072 0.000 1.129 339 N HN 0.552 nan 8.380 nan 0.000 0.444 340 P HA 0.419 nan 4.420 nan 0.000 0.290 340 P C -0.652 176.648 177.300 -0.001 0.000 1.275 340 P CA -0.485 62.549 63.100 -0.111 0.000 0.841 340 P CB 1.183 32.704 31.700 -0.298 0.000 1.042 341 I N -1.571 119.042 120.570 0.072 0.000 3.042 341 I HA 0.698 4.868 4.170 0.000 0.000 0.310 341 I C -3.041 173.267 176.117 0.318 0.000 1.117 341 I CA -3.678 57.725 61.300 0.172 0.000 1.003 341 I CB 2.084 40.196 38.000 0.185 0.000 1.228 341 I HN -0.004 nan 8.210 nan 0.000 0.443 342 P HA 0.161 nan 4.420 nan 0.000 0.272 342 P C -1.088 176.438 177.300 0.376 0.000 1.223 342 P CA 0.247 63.532 63.100 0.307 0.000 0.784 342 P CB 0.323 32.130 31.700 0.178 0.000 0.923 343 Y N 0.641 121.022 120.300 0.136 0.000 2.183 343 Y HA -0.019 4.531 4.550 0.000 0.000 0.380 343 Y C 1.122 176.967 175.900 -0.092 0.000 1.308 343 Y CA 0.049 58.131 58.100 -0.030 0.000 1.813 343 Y CB 0.297 38.681 38.460 -0.126 0.000 1.584 343 Y HN 0.364 nan 8.280 nan 0.000 0.665 344 D N 0.242 120.470 120.400 -0.285 0.000 2.382 344 D HA 0.236 4.877 4.640 0.000 0.000 0.240 344 D C -1.085 175.062 176.300 -0.256 0.000 1.146 344 D CA 0.277 54.086 54.000 -0.319 0.000 0.897 344 D CB 0.893 41.441 40.800 -0.419 0.000 1.197 344 D HN 0.103 nan 8.370 nan 0.000 0.432 345 V N 0.757 120.537 119.914 -0.223 0.000 2.540 345 V HA 0.599 4.720 4.120 0.000 0.000 0.302 345 V C 0.685 176.594 176.094 -0.309 0.000 1.035 345 V CA -0.937 61.261 62.300 -0.170 0.000 0.873 345 V CB 1.926 33.742 31.823 -0.011 0.000 0.992 345 V HN 0.592 nan 8.190 nan 0.000 0.428 346 G N 2.484 111.082 108.800 -0.337 0.000 2.353 346 G HA2 0.534 4.495 3.960 0.000 0.000 0.284 346 G HA3 0.534 4.495 3.960 0.000 0.000 0.284 346 G C -0.994 173.598 174.900 -0.514 0.000 1.172 346 G CA -0.289 44.440 45.100 -0.618 0.000 0.854 346 G HN 0.670 nan 8.290 nan 0.000 0.485 347 V N 3.434 122.847 119.914 -0.835 0.000 2.709 347 V HA 0.770 4.891 4.120 0.000 0.000 0.308 347 V C -1.268 174.528 176.094 -0.497 0.000 1.062 347 V CA -1.063 60.956 62.300 -0.467 0.000 0.901 347 V CB 1.531 33.150 31.823 -0.339 0.000 1.003 347 V HN 0.545 nan 8.190 nan 0.000 0.425 348 F N 5.241 125.193 119.950 0.004 0.000 2.425 348 F HA 0.639 5.166 4.527 0.000 0.000 0.331 348 F C 0.819 176.633 175.800 0.024 0.000 1.085 348 F CA -0.621 57.443 58.000 0.106 0.000 1.028 348 F CB 1.349 40.438 39.000 0.148 0.000 1.177 348 F HN 0.599 nan 8.300 nan 0.000 0.487 349 R N 1.973 122.620 120.500 0.245 0.000 2.679 349 R HA 0.099 4.439 4.340 0.000 0.000 0.268 349 R C 0.760 177.144 176.300 0.139 0.000 1.044 349 R CA -0.405 55.780 56.100 0.142 0.000 1.105 349 R CB 0.524 30.883 30.300 0.099 0.000 0.989 349 R HN 0.772 nan 8.270 nan 0.000 0.447 350 K N 1.360 121.809 120.400 0.082 0.000 2.147 350 K HA -0.081 4.239 4.320 0.000 0.000 0.205 350 K C 0.875 177.491 176.600 0.027 0.000 1.049 350 K CA 1.605 57.925 56.287 0.055 0.000 0.936 350 K CB 0.120 32.644 32.500 0.040 0.000 0.722 350 K HN 0.659 nan 8.250 nan 0.000 0.446 351 S N 0.501 116.214 115.700 0.022 0.000 2.631 351 S HA 0.073 4.543 4.470 0.000 0.000 0.217 351 S C -0.028 174.552 174.600 -0.034 0.000 0.958 351 S CA -0.287 57.912 58.200 -0.001 0.000 0.920 351 S CB 0.412 63.617 63.200 0.007 0.000 0.776 351 S HN -0.014 nan 8.310 nan 0.000 0.517 352 V N 4.043 123.924 119.914 -0.055 0.000 2.585 352 V HA 0.028 4.148 4.120 0.000 0.000 0.296 352 V C 0.929 176.902 176.094 -0.202 0.000 1.035 352 V CA -0.642 61.566 62.300 -0.153 0.000 1.084 352 V CB 0.237 31.939 31.823 -0.202 0.000 0.953 352 V HN 0.491 nan 8.190 nan 0.000 0.483 353 N N 4.097 122.675 118.700 -0.202 0.000 2.357 353 N HA -0.069 4.671 4.740 0.000 0.000 0.257 353 N C 1.048 176.456 175.510 -0.170 0.000 1.250 353 N CA 0.386 53.355 53.050 -0.135 0.000 0.862 353 N CB 0.680 39.115 38.487 -0.087 0.000 1.066 353 N HN 0.792 nan 8.380 nan 0.000 0.468 354 Q N 3.096 122.842 119.800 -0.090 0.000 2.096 354 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 354 Q C 1.889 177.862 176.000 -0.045 0.000 0.982 354 Q CA 1.588 57.343 55.803 -0.081 0.000 0.850 354 Q CB 0.109 28.838 28.738 -0.015 0.000 0.901 354 Q HN 0.723 nan 8.270 nan 0.000 0.422 355 L N -0.012 121.230 121.223 0.031 0.000 2.046 355 L HA -0.211 4.130 4.340 0.000 0.000 0.208 355 L C 2.435 179.366 176.870 0.103 0.000 1.077 355 L CA 1.441 56.347 54.840 0.110 0.000 0.747 355 L CB -0.488 41.703 42.059 0.220 0.000 0.896 355 L HN 0.327 nan 8.230 nan 0.000 0.432 356 E N -0.066 120.120 120.200 -0.023 0.000 2.072 356 E HA -0.245 4.105 4.350 0.000 0.000 0.191 356 E C 2.239 178.772 176.600 -0.112 0.000 0.985 356 E CA 1.089 57.368 56.400 -0.201 0.000 0.801 356 E CB 0.079 29.297 29.700 -0.803 0.000 0.750 356 E HN 0.500 nan 8.360 nan 0.000 0.452 357 Q N 0.060 119.666 119.800 -0.324 0.000 2.061 357 Q HA -0.176 4.165 4.340 0.000 0.000 0.204 357 Q C 2.053 178.035 176.000 -0.029 0.000 0.984 357 Q CA 1.477 56.972 55.803 -0.514 0.000 0.846 357 Q CB -0.139 28.119 28.738 -0.800 0.000 0.902 357 Q HN 0.277 nan 8.270 nan 0.000 0.421 358 N N 0.653 119.362 118.700 0.015 0.000 2.166 358 N HA -0.113 4.628 4.740 0.000 0.000 0.186 358 N C 1.813 177.401 175.510 0.129 0.000 1.019 358 N CA 0.934 54.040 53.050 0.092 0.000 0.856 358 N CB -0.211 38.316 38.487 0.068 0.000 0.993 358 N HN 0.212 nan 8.380 nan 0.000 0.426 359 L N 0.505 121.815 121.223 0.145 0.000 2.141 359 L HA -0.028 4.312 4.340 0.000 0.000 0.209 359 L C 2.084 179.137 176.870 0.306 0.000 1.094 359 L CA 0.666 55.590 54.840 0.140 0.000 0.763 359 L CB -0.222 41.850 42.059 0.020 0.000 0.908 359 L HN 0.094 nan 8.230 nan 0.000 0.437 360 I N -1.285 119.558 120.570 0.455 0.000 2.252 360 I HA -0.239 3.931 4.170 0.000 0.000 0.245 360 I C 2.414 178.787 176.117 0.426 0.000 1.102 360 I CA 0.829 62.444 61.300 0.526 0.000 1.385 360 I CB -0.201 38.137 38.000 0.562 0.000 1.064 360 I HN -0.019 nan 8.210 nan 0.000 0.414 361 V N 0.455 120.589 119.914 0.368 0.000 2.287 361 V HA -0.335 3.785 4.120 0.000 0.000 0.248 361 V C 2.474 178.696 176.094 0.212 0.000 1.053 361 V CA 2.094 64.579 62.300 0.309 0.000 1.027 361 V CB -0.647 31.327 31.823 0.252 0.000 0.646 361 V HN 0.428 nan 8.190 nan 0.000 0.447 362 Q N -0.144 119.736 119.800 0.133 0.000 2.167 362 Q HA -0.154 4.187 4.340 0.000 0.000 0.202 362 Q C 2.156 178.138 176.000 -0.029 0.000 0.970 362 Q CA 2.186 58.024 55.803 0.057 0.000 0.855 362 Q CB -0.571 28.184 28.738 0.028 0.000 0.911 362 Q HN 0.668 nan 8.270 nan 0.000 0.438 363 T N -0.107 114.378 114.554 -0.116 0.000 2.777 363 T HA -0.089 4.261 4.350 0.000 0.000 0.266 363 T C 1.158 175.574 174.700 -0.473 0.000 1.040 363 T CA 1.205 63.035 62.100 -0.449 0.000 1.141 363 T CB -0.374 67.951 68.868 -0.905 0.000 0.868 363 T HN 0.232 nan 8.240 nan 0.000 0.444 364 F N 1.153 120.939 119.950 -0.273 0.000 2.095 364 F HA -0.025 4.502 4.527 0.001 0.000 0.298 364 F C 2.186 177.902 175.800 -0.139 0.000 1.104 364 F CA 0.917 58.730 58.000 -0.312 0.000 1.232 364 F CB -0.623 37.975 39.000 -0.670 0.000 0.987 364 F HN 0.119 nan 8.300 nan 0.000 0.475 365 I N -0.078 120.587 120.570 0.158 0.000 2.163 365 I HA -0.352 3.819 4.170 0.000 0.000 0.243 365 I C 1.971 178.164 176.117 0.127 0.000 1.085 365 I CA 1.415 62.839 61.300 0.206 0.000 1.347 365 I CB -0.528 37.562 38.000 0.150 0.000 1.044 365 I HN 0.136 nan 8.210 nan 0.000 0.408 366 N N 0.691 119.406 118.700 0.025 0.000 2.270 366 N HA -0.064 4.676 4.740 0.000 0.000 0.181 366 N C 1.908 177.409 175.510 -0.014 0.000 1.016 366 N CA 1.031 54.073 53.050 -0.013 0.000 0.870 366 N CB -0.336 38.109 38.487 -0.070 0.000 0.979 366 N HN 0.313 nan 8.380 nan 0.000 0.431 367 L N 0.346 121.546 121.223 -0.038 0.000 2.083 367 L HA -0.088 4.252 4.340 0.000 0.000 0.209 367 L C 2.299 179.240 176.870 0.118 0.000 1.083 367 L CA 1.085 55.923 54.840 -0.003 0.000 0.752 367 L CB -0.453 41.586 42.059 -0.034 0.000 0.899 367 L HN 0.134 nan 8.230 nan 0.000 0.433 368 A N 0.149 123.096 122.820 0.212 0.000 1.873 368 A HA -0.249 4.071 4.320 0.000 0.000 0.215 368 A C 2.380 180.030 177.584 0.110 0.000 1.186 368 A CA 1.897 54.066 52.037 0.219 0.000 0.616 368 A CB -0.424 18.764 19.000 0.313 0.000 0.823 368 A HN 0.322 nan 8.150 nan 0.000 0.442 369 K N -0.299 120.155 120.400 0.090 0.000 2.063 369 K HA -0.155 4.165 4.320 0.000 0.000 0.208 369 K C 0.810 177.429 176.600 0.032 0.000 1.048 369 K CA 1.678 57.995 56.287 0.049 0.000 0.928 369 K CB -0.166 32.357 32.500 0.039 0.000 0.713 369 K HN 0.402 nan 8.250 nan 0.000 0.442 370 N N 1.013 119.729 118.700 0.028 0.000 2.370 370 N HA -0.015 4.725 4.740 0.000 0.000 0.198 370 N C -0.587 174.937 175.510 0.024 0.000 1.156 370 N CA 0.319 53.378 53.050 0.015 0.000 0.839 370 N CB 0.584 39.069 38.487 -0.003 0.000 0.989 370 N HN 0.054 nan 8.380 nan 0.000 0.468 371 K N 0.263 120.687 120.400 0.040 0.000 3.077 371 K HA -0.199 4.121 4.320 0.000 0.000 0.264 371 K C 0.281 176.916 176.600 0.058 0.000 1.008 371 K CA 0.502 56.817 56.287 0.046 0.000 0.740 371 K CB -2.164 30.351 32.500 0.026 0.000 1.273 371 K HN 0.481 nan 8.250 nan 0.000 0.477 372 Q N -0.720 119.124 119.800 0.073 0.000 2.247 372 Q HA 0.068 4.408 4.340 0.000 0.000 0.211 372 Q C -0.249 175.849 176.000 0.162 0.000 0.861 372 Q CA -0.209 55.642 55.803 0.079 0.000 0.949 372 Q CB 0.622 29.373 28.738 0.023 0.000 1.115 372 Q HN 0.248 nan 8.270 nan 0.000 0.507 373 D N 1.097 121.628 120.400 0.218 0.000 2.393 373 D HA 0.008 4.648 4.640 0.000 0.000 0.232 373 D C 0.845 177.327 176.300 0.303 0.000 1.192 373 D CA 0.086 54.312 54.000 0.377 0.000 0.882 373 D CB 1.100 42.162 40.800 0.437 0.000 1.038 373 D HN 0.132 nan 8.370 nan 0.000 0.499 374 T N 0.937 115.708 114.554 0.362 0.000 3.100 374 T HA -0.076 4.275 4.350 0.000 0.000 0.253 374 T C 1.421 176.262 174.700 0.236 0.000 1.118 374 T CA 0.241 62.493 62.100 0.254 0.000 1.058 374 T CB -0.202 68.821 68.868 0.259 0.000 0.953 374 T HN 0.419 nan 8.240 nan 0.000 0.515 375 Y N 1.992 122.304 120.300 0.021 0.000 2.351 375 Y HA 0.442 4.992 4.550 0.001 0.000 0.291 375 Y C 2.507 178.279 175.900 -0.214 0.000 1.153 375 Y CA 0.485 58.453 58.100 -0.221 0.000 1.193 375 Y CB -0.645 37.341 38.460 -0.789 0.000 1.187 375 Y HN 0.122 nan 8.280 nan 0.000 0.524 376 G N 1.399 110.074 108.800 -0.208 0.000 2.529 376 G HA2 -0.266 3.695 3.960 0.000 0.000 0.219 376 G HA3 -0.266 3.695 3.960 0.000 0.000 0.219 376 G C -0.671 174.004 174.900 -0.374 0.000 1.177 376 G CA 1.230 46.214 45.100 -0.195 0.000 0.773 376 G HN 0.399 nan 8.290 nan 0.000 0.573 377 P HA 0.019 nan 4.420 nan 0.000 0.225 377 P C 1.804 178.904 177.300 -0.334 0.000 1.148 377 P CA 0.509 63.450 63.100 -0.265 0.000 0.779 377 P CB -0.078 31.522 31.700 -0.167 0.000 0.780 378 L N -2.155 118.860 121.223 -0.345 0.000 2.376 378 L HA -0.084 4.256 4.340 0.000 0.000 0.219 378 L C 1.416 178.013 176.870 -0.455 0.000 1.133 378 L CA 0.836 55.502 54.840 -0.290 0.000 0.816 378 L CB -0.459 41.548 42.059 -0.087 0.000 0.933 378 L HN 0.010 nan 8.230 nan 0.000 0.449 379 L N -1.145 119.625 121.223 -0.755 0.000 2.693 379 L HA 0.306 4.647 4.340 0.000 0.000 0.235 379 L C 1.412 177.732 176.870 -0.917 0.000 1.127 379 L CA 0.716 54.971 54.840 -0.974 0.000 0.914 379 L CB 0.351 41.502 42.059 -1.513 0.000 1.193 379 L HN 0.224 nan 8.230 nan 0.000 0.502 380 G N -1.629 106.777 108.800 -0.657 0.000 2.176 380 G HA2 -0.296 3.664 3.960 0.000 0.000 0.232 380 G HA3 -0.296 3.664 3.960 0.000 0.000 0.232 380 G C -0.241 174.491 174.900 -0.280 0.000 0.986 380 G CA -0.391 44.454 45.100 -0.426 0.000 0.643 380 G HN 0.120 nan 8.290 nan 0.000 0.522 381 Y N 1.272 121.387 120.300 -0.307 0.000 2.595 381 Y HA 0.497 5.047 4.550 0.000 0.000 0.347 381 Y C 1.057 176.693 175.900 -0.441 0.000 1.025 381 Y CA -1.507 56.365 58.100 -0.380 0.000 1.295 381 Y CB 0.071 38.325 38.460 -0.343 0.000 1.147 381 Y HN 0.211 nan 8.280 nan 0.000 0.515 382 N N 1.047 119.557 118.700 -0.316 0.000 2.236 382 N HA 0.335 5.075 4.740 0.000 0.000 0.196 382 N C 0.562 175.895 175.510 -0.296 0.000 1.114 382 N CA 0.097 52.975 53.050 -0.285 0.000 0.859 382 N CB 0.890 39.205 38.487 -0.287 0.000 0.982 382 N HN 0.735 nan 8.380 nan 0.000 0.493 383 G N -0.516 108.002 108.800 -0.469 0.000 2.576 383 G HA2 0.498 4.459 3.960 0.000 0.000 0.290 383 G HA3 0.498 4.459 3.960 0.000 0.000 0.290 383 G C -2.199 172.308 174.900 -0.654 0.000 1.442 383 G CA -0.596 44.274 45.100 -0.385 0.000 0.792 383 G HN 0.029 nan 8.290 nan 0.000 0.491 384 Y N -0.349 119.955 120.300 0.007 0.000 2.534 384 Y HA 0.668 5.218 4.550 0.000 0.000 0.345 384 Y C 0.160 176.072 175.900 0.020 0.000 1.031 384 Y CA -1.000 57.099 58.100 -0.002 0.000 1.022 384 Y CB 2.828 41.316 38.460 0.047 0.000 1.292 384 Y HN 0.395 nan 8.280 nan 0.000 0.459 385 K N 1.231 121.737 120.400 0.178 0.000 2.477 385 K HA 0.401 4.721 4.320 0.000 0.000 0.255 385 K C -1.353 175.327 176.600 0.133 0.000 0.952 385 K CA -1.369 54.997 56.287 0.130 0.000 0.826 385 K CB 3.076 35.629 32.500 0.089 0.000 1.331 385 K HN 0.480 nan 8.250 nan 0.000 0.437 386 K N 2.349 122.823 120.400 0.124 0.000 2.350 386 K HA 0.171 4.491 4.320 0.000 0.000 0.279 386 K C -0.438 176.236 176.600 0.122 0.000 1.027 386 K CA -0.217 56.146 56.287 0.127 0.000 0.969 386 K CB 0.412 32.980 32.500 0.115 0.000 0.954 386 K HN 0.500 nan 8.250 nan 0.000 0.474 387 I N 4.864 125.517 120.570 0.139 0.000 2.396 387 I HA -0.029 4.142 4.170 0.000 0.000 0.289 387 I C 0.666 176.866 176.117 0.138 0.000 1.056 387 I CA -0.181 61.209 61.300 0.150 0.000 1.365 387 I CB 1.024 39.143 38.000 0.199 0.000 1.407 387 I HN 0.720 nan 8.210 nan 0.000 0.509 388 D N 3.993 124.465 120.400 0.120 0.000 2.301 388 D HA -0.002 4.639 4.640 0.000 0.000 0.206 388 D C 0.400 176.766 176.300 0.110 0.000 0.979 388 D CA 0.970 55.032 54.000 0.103 0.000 0.874 388 D CB 0.345 41.195 40.800 0.083 0.000 0.968 388 D HN 0.418 nan 8.370 nan 0.000 0.510 389 N N -0.045 118.731 118.700 0.127 0.000 2.664 389 N HA -0.025 4.715 4.740 0.000 0.000 0.268 389 N C -0.275 175.336 175.510 0.168 0.000 1.222 389 N CA -0.422 52.708 53.050 0.133 0.000 0.805 389 N CB 0.411 38.951 38.487 0.089 0.000 1.399 389 N HN -0.201 nan 8.380 nan 0.000 0.547 390 F N 3.124 123.108 119.950 0.056 0.000 2.134 390 F HA -0.111 4.416 4.527 0.001 0.000 0.299 390 F C 2.250 178.084 175.800 0.057 0.000 1.097 390 F CA 1.856 59.889 58.000 0.056 0.000 1.264 390 F CB 0.228 39.261 39.000 0.054 0.000 1.001 390 F HN 0.610 nan 8.300 nan 0.000 0.479 391 Q N 0.931 120.786 119.800 0.092 0.000 2.084 391 Q HA -0.248 4.092 4.340 0.000 0.000 0.202 391 Q C 2.265 178.225 176.000 -0.067 0.000 0.978 391 Q CA 2.341 58.131 55.803 -0.022 0.000 0.844 391 Q CB -0.365 28.414 28.738 0.067 0.000 0.898 391 Q HN 0.491 nan 8.270 nan 0.000 0.426 392 K N -0.431 119.961 120.400 -0.014 0.000 2.076 392 K HA -0.085 4.236 4.320 0.000 0.000 0.204 392 K C 1.763 178.351 176.600 -0.019 0.000 1.051 392 K CA 1.424 57.707 56.287 -0.006 0.000 0.949 392 K CB 0.044 32.558 32.500 0.023 0.000 0.726 392 K HN 0.258 nan 8.250 nan 0.000 0.443 393 E N -0.335 119.851 120.200 -0.023 0.000 2.299 393 E HA -0.036 4.314 4.350 0.000 0.000 0.193 393 E C 1.404 177.974 176.600 -0.050 0.000 0.998 393 E CA 0.465 56.863 56.400 -0.004 0.000 0.851 393 E CB 0.420 30.144 29.700 0.041 0.000 0.795 393 E HN 0.288 nan 8.360 nan 0.000 0.492 394 I N -0.820 119.628 120.570 -0.203 0.000 3.650 394 I HA -0.050 4.120 4.170 0.000 0.000 0.261 394 I C 2.197 178.151 176.117 -0.273 0.000 1.154 394 I CA 0.432 61.560 61.300 -0.286 0.000 1.418 394 I CB -0.888 36.760 38.000 -0.586 0.000 1.539 394 I HN -0.088 nan 8.210 nan 0.000 0.449 395 V N 1.652 121.297 119.914 -0.448 0.000 2.295 395 V HA -0.227 3.893 4.120 0.000 0.000 0.246 395 V C 2.425 178.509 176.094 -0.017 0.000 1.049 395 V CA 1.939 64.110 62.300 -0.214 0.000 1.024 395 V CB -0.715 30.999 31.823 -0.182 0.000 0.648 395 V HN 0.394 nan 8.190 nan 0.000 0.447 396 E N -0.271 119.906 120.200 -0.038 0.000 2.150 396 E HA -0.147 4.203 4.350 0.000 0.000 0.193 396 E C 2.187 178.807 176.600 0.032 0.000 0.985 396 E CA 1.229 57.631 56.400 0.004 0.000 0.814 396 E CB -0.109 29.588 29.700 -0.005 0.000 0.752 396 E HN 0.465 nan 8.360 nan 0.000 0.466 397 V N 0.543 120.485 119.914 0.045 0.000 2.323 397 V HA -0.254 3.866 4.120 0.000 0.000 0.244 397 V C 2.003 178.172 176.094 0.124 0.000 1.041 397 V CA 1.761 64.115 62.300 0.090 0.000 1.025 397 V CB -0.553 31.328 31.823 0.096 0.000 0.656 397 V HN 0.323 nan 8.190 nan 0.000 0.451 398 Y N 1.359 121.663 120.300 0.007 0.000 2.145 398 Y HA -0.213 4.338 4.550 0.001 0.000 0.286 398 Y C 2.600 178.515 175.900 0.025 0.000 1.145 398 Y CA 1.951 60.062 58.100 0.019 0.000 1.148 398 Y CB -0.103 38.358 38.460 0.003 0.000 0.981 398 Y HN 0.214 nan 8.280 nan 0.000 0.507 399 E N 0.678 120.894 120.200 0.027 0.000 2.110 399 E HA -0.219 4.132 4.350 0.000 0.000 0.193 399 E C 2.114 178.651 176.600 -0.105 0.000 0.988 399 E CA 1.307 57.663 56.400 -0.074 0.000 0.804 399 E CB -0.357 29.360 29.700 0.028 0.000 0.745 399 E HN 0.541 nan 8.360 nan 0.000 0.458 400 K N 0.610 120.980 120.400 -0.049 0.000 2.147 400 K HA -0.066 4.254 4.320 0.000 0.000 0.205 400 K C 1.963 178.554 176.600 -0.015 0.000 1.049 400 K CA 1.146 57.401 56.287 -0.054 0.000 0.936 400 K CB -0.005 32.462 32.500 -0.057 0.000 0.722 400 K HN 0.052 nan 8.250 nan 0.000 0.446 401 A N 1.376 124.195 122.820 -0.002 0.000 1.968 401 A HA -0.036 4.284 4.320 0.000 0.000 0.217 401 A C 1.943 179.472 177.584 -0.092 0.000 1.169 401 A CA 1.204 53.253 52.037 0.021 0.000 0.638 401 A CB -0.510 18.477 19.000 -0.021 0.000 0.812 401 A HN 0.550 nan 8.150 nan 0.000 0.446 402 I N -3.753 116.682 120.570 -0.225 0.000 3.793 402 I HA 0.237 4.407 4.170 0.000 0.000 0.315 402 I C 0.590 176.627 176.117 -0.133 0.000 1.275 402 I CA -0.110 61.061 61.300 -0.215 0.000 1.214 402 I CB 0.062 37.849 38.000 -0.356 0.000 1.018 402 I HN -0.079 nan 8.210 nan 0.000 0.439 403 K N 0.000 120.334 120.400 -0.110 0.000 2.780 403 K HA 0.000 4.320 4.320 0.000 0.000 0.191 403 K CA 0.000 56.236 56.287 -0.085 0.000 0.838 403 K CB 0.000 32.450 32.500 -0.083 0.000 1.064 403 K HN 0.000 nan 8.250 nan 0.000 0.543