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 1hl9_1_A DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP XXXXXXXXXD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE XXXXXXXXLP GYKWEFTRGI GLSFGYNRNE XXXXMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QXERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA VE 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.099 176.300 -0.335 0.000 0.893 7 R CA 0.000 55.952 56.100 -0.247 0.000 0.921 7 R CB 0.000 30.245 30.300 -0.092 0.000 0.687 8 Y N 1.662 121.975 120.300 0.022 0.000 2.310 8 Y HA 0.418 4.968 4.550 -0.000 0.000 0.326 8 Y C 0.897 176.803 175.900 0.010 0.000 1.151 8 Y CA -0.277 57.836 58.100 0.022 0.000 1.195 8 Y CB 1.237 39.740 38.460 0.071 0.000 1.210 8 Y HN 0.141 nan 8.280 nan 0.000 0.483 9 K N 3.775 124.249 120.400 0.124 0.000 2.123 9 K HA 0.347 4.667 4.320 0.000 0.000 0.248 9 K C -2.545 174.034 176.600 -0.036 0.000 0.969 9 K CA -2.063 54.246 56.287 0.037 0.000 0.882 9 K CB 1.074 33.572 32.500 -0.003 0.000 1.080 9 K HN 0.302 nan 8.250 nan 0.000 0.441 10 P HA 0.024 nan 4.420 nan 0.000 0.226 10 P C -1.612 175.371 177.300 -0.530 0.000 1.783 10 P CA 0.051 62.947 63.100 -0.340 0.000 0.980 10 P CB -0.656 30.861 31.700 -0.304 0.000 1.967 11 D N -2.335 117.802 120.400 -0.438 0.000 2.596 11 D HA 0.229 4.869 4.640 0.000 0.000 0.234 11 D C 0.385 176.452 176.300 -0.388 0.000 1.181 11 D CA -0.913 52.770 54.000 -0.528 0.000 0.856 11 D CB 0.296 40.928 40.800 -0.280 0.000 1.498 11 D HN -0.065 nan 8.370 nan 0.000 0.446 12 W N -0.044 121.202 121.300 -0.091 0.000 2.418 12 W HA 0.031 4.691 4.660 -0.000 0.000 0.292 12 W C 2.116 178.608 176.519 -0.045 0.000 1.213 12 W CA 0.397 57.702 57.345 -0.067 0.000 1.283 12 W CB 0.050 29.483 29.460 -0.046 0.000 1.119 12 W HN 0.615 nan 8.180 nan 0.000 0.542 13 E N 0.380 120.673 120.200 0.156 0.000 2.110 13 E HA -0.239 4.111 4.350 0.000 0.000 0.193 13 E C 2.299 178.940 176.600 0.069 0.000 0.988 13 E CA 1.558 58.015 56.400 0.094 0.000 0.804 13 E CB -0.183 29.550 29.700 0.056 0.000 0.745 13 E HN 0.118 nan 8.360 nan 0.000 0.458 14 S N -0.152 115.576 115.700 0.047 0.000 2.377 14 S HA -0.036 4.434 4.470 0.000 0.000 0.223 14 S C 1.959 176.641 174.600 0.136 0.000 1.030 14 S CA 0.486 58.730 58.200 0.074 0.000 0.970 14 S CB -0.170 63.059 63.200 0.049 0.000 0.830 14 S HN 0.314 nan 8.310 nan 0.000 0.473 15 L N 1.335 122.592 121.223 0.057 0.000 2.275 15 L HA 0.046 4.386 4.340 0.000 0.000 0.215 15 L C 2.652 179.460 176.870 -0.103 0.000 1.119 15 L CA 1.000 55.788 54.840 -0.087 0.000 0.790 15 L CB -0.401 41.518 42.059 -0.234 0.000 0.919 15 L HN 0.288 nan 8.230 nan 0.000 0.443 16 R N 1.009 121.549 120.500 0.066 0.000 2.193 16 R HA -0.170 4.170 4.340 0.000 0.000 0.229 16 R C 1.799 178.144 176.300 0.075 0.000 1.110 16 R CA 1.298 57.458 56.100 0.098 0.000 0.988 16 R CB -0.317 30.022 30.300 0.065 0.000 0.871 16 R HN 0.400 nan 8.270 nan 0.000 0.458 17 E N -0.505 119.767 120.200 0.120 0.000 2.265 17 E HA -0.174 4.176 4.350 0.000 0.000 0.196 17 E C 0.091 176.792 176.600 0.169 0.000 0.996 17 E CA 0.556 57.049 56.400 0.154 0.000 0.832 17 E CB -0.227 29.596 29.700 0.205 0.000 0.756 17 E HN 0.419 nan 8.360 nan 0.000 0.491 18 H N 2.326 121.370 119.070 -0.044 0.000 3.224 18 H HA 0.032 4.588 4.556 -0.000 0.000 0.265 18 H C -0.343 174.866 175.328 -0.199 0.000 1.461 18 H CA 0.089 55.923 56.048 -0.358 0.000 1.509 18 H CB -0.277 28.733 29.762 -1.253 0.000 1.686 18 H HN 0.021 nan 8.280 nan 0.000 0.514 19 T N 0.608 114.949 114.554 -0.354 0.000 2.766 19 T HA 0.055 4.405 4.350 0.000 0.000 0.295 19 T C 0.782 175.290 174.700 -0.319 0.000 1.024 19 T CA -0.844 61.116 62.100 -0.233 0.000 1.018 19 T CB 1.576 70.362 68.868 -0.138 0.000 1.002 19 T HN 0.303 nan 8.240 nan 0.000 0.532 20 V N 3.286 123.125 119.914 -0.126 0.000 2.557 20 V HA 0.192 4.312 4.120 0.000 0.000 0.301 20 V C -2.058 173.938 176.094 -0.164 0.000 1.026 20 V CA -1.528 60.722 62.300 -0.084 0.000 1.137 20 V CB -0.109 31.753 31.823 0.065 0.000 0.917 20 V HN 0.810 nan 8.190 nan 0.000 0.484 21 P HA 0.153 nan 4.420 nan 0.000 0.268 21 P C 0.300 177.486 177.300 -0.189 0.000 1.205 21 P CA -0.036 62.953 63.100 -0.185 0.000 0.771 21 P CB 0.428 32.066 31.700 -0.104 0.000 0.858 22 K N 2.171 122.540 120.400 -0.051 0.000 2.147 22 K HA -0.115 4.205 4.320 0.000 0.000 0.205 22 K C 1.898 178.514 176.600 0.028 0.000 1.049 22 K CA 1.407 57.694 56.287 -0.000 0.000 0.936 22 K CB -0.301 32.231 32.500 0.052 0.000 0.722 22 K HN 0.697 nan 8.250 nan 0.000 0.446 23 W N 0.436 121.772 121.300 0.061 0.000 2.374 23 W HA -0.190 4.470 4.660 0.000 0.000 0.288 23 W C 1.457 178.008 176.519 0.052 0.000 1.218 23 W CA 0.429 57.808 57.345 0.057 0.000 1.245 23 W CB -0.929 28.566 29.460 0.059 0.000 1.126 23 W HN -0.036 nan 8.180 nan 0.000 0.545 24 F N 2.591 121.819 119.950 -1.203 0.000 2.163 24 F HA -0.109 4.418 4.527 0.000 0.000 0.297 24 F C 2.299 177.784 175.800 -0.526 0.000 1.094 24 F CA 2.368 59.600 58.000 -1.279 0.000 1.290 24 F CB -0.761 37.332 39.000 -1.511 0.000 1.017 24 F HN -0.187 nan 8.300 nan 0.000 0.483 25 D N 0.167 120.450 120.400 -0.195 0.000 2.116 25 D HA -0.223 4.417 4.640 0.000 0.000 0.193 25 D C 1.910 178.156 176.300 -0.090 0.000 0.998 25 D CA 1.734 55.677 54.000 -0.094 0.000 0.836 25 D CB -0.048 40.745 40.800 -0.011 0.000 0.951 25 D HN 0.284 nan 8.370 nan 0.000 0.449 26 K N -0.418 119.962 120.400 -0.034 0.000 2.365 26 K HA 0.196 4.516 4.320 0.000 0.000 0.197 26 K C 2.001 178.670 176.600 0.115 0.000 1.042 26 K CA 0.536 56.859 56.287 0.060 0.000 0.987 26 K CB 0.228 32.793 32.500 0.108 0.000 0.779 26 K HN 0.087 nan 8.250 nan 0.000 0.484 27 A N 1.993 124.840 122.820 0.046 0.000 1.877 27 A HA -0.223 4.097 4.320 0.000 0.000 0.216 27 A C 0.972 178.709 177.584 0.255 0.000 1.186 27 A CA 1.736 53.879 52.037 0.177 0.000 0.620 27 A CB -0.059 19.026 19.000 0.142 0.000 0.822 27 A HN 0.179 nan 8.150 nan 0.000 0.443 28 K N -3.589 116.843 120.400 0.054 0.000 3.517 28 K HA -0.240 4.080 4.320 0.000 0.000 0.320 28 K C 0.088 176.779 176.600 0.153 0.000 0.769 28 K CA 2.090 58.405 56.287 0.046 0.000 1.397 28 K CB -1.922 30.613 32.500 0.057 0.000 1.376 28 K HN 0.741 nan 8.250 nan 0.000 0.456 29 F N -0.128 119.849 119.950 0.044 0.000 2.585 29 F HA 0.536 5.063 4.527 -0.000 0.000 0.319 29 F C 0.101 175.741 175.800 -0.267 0.000 1.165 29 F CA -0.260 57.703 58.000 -0.062 0.000 0.949 29 F CB 2.033 41.050 39.000 0.030 0.000 1.218 29 F HN 0.055 nan 8.300 nan 0.000 0.453 30 G N 5.816 114.141 108.800 -0.792 0.000 2.658 30 G HA2 0.624 4.584 3.960 0.000 0.000 0.292 30 G HA3 0.624 4.584 3.960 0.000 0.000 0.292 30 G C -1.887 172.412 174.900 -1.001 0.000 1.320 30 G CA -0.789 43.425 45.100 -1.477 0.000 0.933 30 G HN 0.477 nan 8.290 nan 0.000 0.476 31 I N 1.054 121.099 120.570 -0.876 0.000 2.362 31 I HA 0.345 4.515 4.170 0.000 0.000 0.289 31 I C -0.839 175.031 176.117 -0.411 0.000 0.994 31 I CA -0.626 60.278 61.300 -0.660 0.000 1.158 31 I CB 1.453 38.842 38.000 -1.018 0.000 1.315 31 I HN 0.207 nan 8.210 nan 0.000 0.451 32 F N 6.859 126.611 119.950 -0.330 0.000 2.389 32 F HA 0.471 4.998 4.527 0.000 0.000 0.337 32 F C 0.385 176.079 175.800 -0.177 0.000 1.112 32 F CA -0.889 56.987 58.000 -0.207 0.000 1.192 32 F CB 0.897 39.859 39.000 -0.063 0.000 1.185 32 F HN 0.186 nan 8.300 nan 0.000 0.552 33 I N 4.155 124.791 120.570 0.110 0.000 2.468 33 I HA 0.149 4.319 4.170 0.000 0.000 0.284 33 I C -1.275 174.812 176.117 -0.049 0.000 1.038 33 I CA -0.623 60.684 61.300 0.013 0.000 1.083 33 I CB 1.492 39.523 38.000 0.051 0.000 1.223 33 I HN 0.400 nan 8.210 nan 0.000 0.443 34 H N 5.172 124.189 119.070 -0.087 0.000 2.685 34 H HA 0.368 4.924 4.556 0.000 0.000 0.286 34 H C -1.411 174.070 175.328 0.254 0.000 1.102 34 H CA -0.007 56.011 56.048 -0.051 0.000 1.254 34 H CB 0.714 30.357 29.762 -0.198 0.000 1.397 34 H HN 0.498 nan 8.280 nan 0.000 0.473 35 W N 3.351 124.684 121.300 0.055 0.000 3.259 35 W HA 0.580 5.240 4.660 -0.000 0.000 0.331 35 W C -0.555 175.715 176.519 -0.416 0.000 1.144 35 W CA -0.582 56.712 57.345 -0.084 0.000 1.227 35 W CB 1.649 31.172 29.460 0.104 0.000 1.371 35 W HN 0.721 nan 8.180 nan 0.000 0.491 36 G N 3.298 111.379 108.800 -1.199 0.000 2.341 36 G HA2 0.165 4.125 3.960 0.000 0.000 0.299 36 G HA3 0.165 4.125 3.960 0.000 0.000 0.299 36 G C 0.306 174.011 174.900 -1.992 0.000 1.274 36 G CA -0.150 43.992 45.100 -1.597 0.000 0.853 36 G HN 0.968 nan 8.290 nan 0.000 0.493 37 I N -1.137 118.477 120.570 -1.593 0.000 2.614 37 I HA -0.028 4.142 4.170 0.000 0.000 0.258 37 I C 2.320 177.920 176.117 -0.861 0.000 1.189 37 I CA 1.745 62.301 61.300 -1.240 0.000 1.462 37 I CB -0.549 36.839 38.000 -1.021 0.000 1.092 37 I HN 0.571 nan 8.210 nan 0.000 0.442 38 Y N 1.366 121.412 120.300 -0.422 0.000 2.315 38 Y HA -0.055 4.495 4.550 0.000 0.000 0.288 38 Y C 2.424 178.158 175.900 -0.276 0.000 1.154 38 Y CA 0.918 58.862 58.100 -0.260 0.000 1.229 38 Y CB -1.585 36.907 38.460 0.054 0.000 0.980 38 Y HN 0.087 nan 8.280 nan 0.000 0.540 39 S N 0.370 115.874 115.700 -0.327 0.000 2.419 39 S HA -0.150 4.321 4.470 0.000 0.000 0.233 39 S C 2.104 176.689 174.600 -0.024 0.000 1.016 39 S CA 1.181 59.363 58.200 -0.031 0.000 0.974 39 S CB -0.660 62.524 63.200 -0.026 0.000 0.786 39 S HN 0.389 nan 8.310 nan 0.000 0.492 40 V N 3.052 122.804 119.914 -0.271 0.000 2.237 40 V HA -0.125 3.995 4.120 0.000 0.000 0.245 40 V C -0.234 175.779 176.094 -0.134 0.000 1.046 40 V CA 1.802 63.999 62.300 -0.171 0.000 1.007 40 V CB -1.742 29.953 31.823 -0.212 0.000 0.638 40 V HN 0.388 nan 8.190 nan 0.000 0.445 41 P HA -0.023 nan 4.420 nan 0.000 0.217 41 P C 1.162 178.548 177.300 0.145 0.000 1.151 41 P CA 1.618 64.614 63.100 -0.175 0.000 0.828 41 P CB -0.344 30.865 31.700 -0.819 0.000 0.788 42 G N 0.092 108.938 108.800 0.078 0.000 2.369 42 G HA2 -0.203 3.757 3.960 0.000 0.000 0.286 42 G HA3 -0.203 3.757 3.960 0.000 0.000 0.286 42 G C -0.777 174.195 174.900 0.120 0.000 0.938 42 G CA 0.191 45.387 45.100 0.159 0.000 1.271 42 G HN 0.424 nan 8.290 nan 0.000 0.488 43 W N 0.399 121.720 121.300 0.035 0.000 3.259 43 W HA 0.664 5.324 4.660 0.000 0.000 0.331 43 W C -0.336 176.208 176.519 0.042 0.000 1.144 43 W CA 0.007 57.321 57.345 -0.052 0.000 1.227 43 W CB 1.474 30.817 29.460 -0.195 0.000 1.371 43 W HN 0.834 nan 8.180 nan 0.000 0.491 44 A N 2.225 124.695 122.820 -0.583 0.000 2.593 44 A HA 0.791 5.112 4.320 0.000 0.000 0.290 44 A C -0.325 176.585 177.584 -1.124 0.000 1.126 44 A CA -0.683 51.015 52.037 -0.565 0.000 0.695 44 A CB 0.943 19.796 19.000 -0.246 0.000 1.290 44 A HN 0.509 nan 8.150 nan 0.000 0.414 45 T N 1.212 115.337 114.554 -0.715 0.000 2.860 45 T HA 0.507 4.858 4.350 0.000 0.000 0.299 45 T C -2.179 172.253 174.700 -0.447 0.000 1.045 45 T CA -0.752 60.996 62.100 -0.587 0.000 1.071 45 T CB -0.249 68.456 68.868 -0.271 0.000 0.985 45 T HN 0.470 nan 8.240 nan 0.000 0.537 57 A N 0.750 123.689 122.820 0.199 0.000 3.012 57 A HA 0.123 4.443 4.320 0.000 0.000 0.295 57 A C 1.247 178.977 177.584 0.244 0.000 1.338 57 A CA -0.545 51.652 52.037 0.266 0.000 0.981 57 A CB -0.796 18.238 19.000 0.057 0.000 1.091 57 A HN 0.395 nan 8.150 nan 0.000 0.602 58 W N -0.253 121.001 121.300 -0.076 0.000 2.363 58 W HA -0.180 4.480 4.660 0.000 0.000 0.296 58 W C 0.365 176.604 176.519 -0.467 0.000 1.212 58 W CA 1.486 58.616 57.345 -0.359 0.000 1.260 58 W CB -0.107 28.985 29.460 -0.612 0.000 1.131 58 W HN 0.565 nan 8.180 nan 0.000 0.530 59 F N -1.145 118.810 119.950 0.009 0.000 2.512 59 F HA -0.012 4.515 4.527 -0.000 0.000 0.296 59 F C 1.903 177.534 175.800 -0.282 0.000 1.110 59 F CA 0.653 58.523 58.000 -0.218 0.000 1.446 59 F CB -0.969 37.877 39.000 -0.256 0.000 1.092 59 F HN -0.288 nan 8.300 nan 0.000 0.554 60 F N -0.050 119.885 119.950 -0.025 0.000 2.206 60 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 60 F C 1.297 177.048 175.800 -0.082 0.000 1.090 60 F CA 1.066 59.034 58.000 -0.054 0.000 1.323 60 F CB -0.284 38.688 39.000 -0.047 0.000 1.028 60 F HN -0.097 nan 8.300 nan 0.000 0.492 61 Q N 0.545 120.349 119.800 0.007 0.000 2.656 61 Q HA 0.128 4.468 4.340 0.000 0.000 0.389 61 Q C -0.774 175.011 176.000 -0.358 0.000 0.883 61 Q CA -0.359 55.374 55.803 -0.116 0.000 1.056 61 Q CB 0.240 28.923 28.738 -0.091 0.000 1.391 61 Q HN 0.056 nan 8.270 nan 0.000 0.399 62 N N 2.960 121.442 118.700 -0.363 0.000 2.452 62 N HA 0.071 4.811 4.740 0.000 0.000 0.266 62 N C -1.709 173.537 175.510 -0.439 0.000 1.175 62 N CA -1.332 51.368 53.050 -0.583 0.000 0.945 62 N CB 1.147 39.429 38.487 -0.341 0.000 1.063 62 N HN 0.187 nan 8.380 nan 0.000 0.472 63 P HA 0.054 nan 4.420 nan 0.000 0.255 63 P C -0.598 176.719 177.300 0.029 0.000 1.248 63 P CA 0.250 63.177 63.100 -0.290 0.000 0.807 63 P CB 0.115 31.619 31.700 -0.326 0.000 1.150 64 Y N 0.819 120.997 120.300 -0.204 0.000 2.425 64 Y HA 0.408 4.958 4.550 0.000 0.000 0.347 64 Y C 1.896 177.851 175.900 0.092 0.000 0.976 64 Y CA -1.557 56.543 58.100 0.001 0.000 1.190 64 Y CB 0.319 38.840 38.460 0.102 0.000 1.136 64 Y HN -0.050 nan 8.280 nan 0.000 0.517 65 A N 2.818 125.735 122.820 0.162 0.000 2.019 65 A HA -0.163 4.157 4.320 0.000 0.000 0.219 65 A C 1.784 179.490 177.584 0.203 0.000 1.164 65 A CA 1.358 53.506 52.037 0.185 0.000 0.644 65 A CB -0.239 18.820 19.000 0.098 0.000 0.805 65 A HN 0.749 nan 8.150 nan 0.000 0.449 66 E N -1.292 118.898 120.200 -0.016 0.000 2.265 66 E HA -0.186 4.164 4.350 0.000 0.000 0.196 66 E C 0.904 177.482 176.600 -0.037 0.000 0.996 66 E CA 0.906 56.962 56.400 -0.574 0.000 0.832 66 E CB -0.357 28.744 29.700 -0.998 0.000 0.756 66 E HN 0.852 nan 8.360 nan 0.000 0.491 67 W N 0.029 121.441 121.300 0.187 0.000 3.405 67 W HA 0.186 4.846 4.660 -0.000 0.000 0.300 67 W C 1.197 177.880 176.519 0.273 0.000 1.286 67 W CA -0.532 57.047 57.345 0.391 0.000 1.762 67 W CB -0.574 29.109 29.460 0.371 0.000 1.087 67 W HN 0.123 nan 8.180 nan 0.000 0.703 68 Y N 1.423 121.912 120.300 0.315 0.000 2.102 68 Y HA -0.393 4.157 4.550 0.000 0.000 0.280 68 Y C 2.522 178.474 175.900 0.086 0.000 1.178 68 Y CA 2.604 60.865 58.100 0.269 0.000 1.146 68 Y CB -0.245 38.438 38.460 0.373 0.000 0.968 68 Y HN 0.097 nan 8.280 nan 0.000 0.504 69 E N -0.161 120.068 120.200 0.049 0.000 2.058 69 E HA -0.313 4.037 4.350 0.000 0.000 0.194 69 E C 2.017 178.373 176.600 -0.407 0.000 0.997 69 E CA 1.590 57.736 56.400 -0.424 0.000 0.801 69 E CB -0.368 28.828 29.700 -0.840 0.000 0.746 69 E HN 0.557 nan 8.360 nan 0.000 0.450 70 N N -0.288 118.062 118.700 -0.583 0.000 2.084 70 N HA -0.135 4.605 4.740 0.000 0.000 0.190 70 N C 1.767 177.113 175.510 -0.273 0.000 1.030 70 N CA 1.945 54.606 53.050 -0.648 0.000 0.849 70 N CB -0.093 38.042 38.487 -0.587 0.000 1.012 70 N HN 0.008 nan 8.380 nan 0.000 0.423 71 S N -0.004 115.638 115.700 -0.097 0.000 2.382 71 S HA -0.114 4.356 4.470 0.000 0.000 0.228 71 S C 1.726 176.273 174.600 -0.088 0.000 1.027 71 S CA 0.803 58.958 58.200 -0.074 0.000 0.991 71 S CB -0.416 62.778 63.200 -0.011 0.000 0.823 71 S HN 0.363 nan 8.310 nan 0.000 0.469 72 L N 1.988 123.134 121.223 -0.129 0.000 2.093 72 L HA 0.044 4.384 4.340 0.000 0.000 0.208 72 L C 2.038 178.935 176.870 0.045 0.000 1.085 72 L CA 1.641 56.456 54.840 -0.040 0.000 0.755 72 L CB -0.417 41.580 42.059 -0.104 0.000 0.904 72 L HN 0.078 nan 8.230 nan 0.000 0.435 73 R N -0.565 119.877 120.500 -0.097 0.000 2.237 73 R HA 0.079 4.419 4.340 0.000 0.000 0.219 73 R C 0.384 176.593 176.300 -0.151 0.000 1.080 73 R CA 0.421 56.449 56.100 -0.121 0.000 0.995 73 R CB -0.335 29.826 30.300 -0.231 0.000 0.875 73 R HN 0.328 nan 8.270 nan 0.000 0.462 74 I N 2.235 122.701 120.570 -0.172 0.000 2.278 74 I HA 0.025 4.195 4.170 0.000 0.000 0.296 74 I C 0.299 176.287 176.117 -0.215 0.000 1.121 74 I CA -0.202 60.966 61.300 -0.220 0.000 1.267 74 I CB 0.536 38.355 38.000 -0.301 0.000 1.447 74 I HN -0.056 nan 8.210 nan 0.000 0.509 75 K N 5.089 125.267 120.400 -0.369 0.000 2.527 75 K HA -0.083 4.237 4.320 0.000 0.000 0.278 75 K C 0.684 176.919 176.600 -0.608 0.000 0.981 75 K CA 0.567 56.357 56.287 -0.828 0.000 1.009 75 K CB 0.303 32.363 32.500 -0.732 0.000 0.895 75 K HN 0.541 nan 8.250 nan 0.000 0.493 76 E N -0.164 119.545 120.200 -0.818 0.000 3.673 76 E HA -0.225 4.126 4.350 0.000 0.000 0.309 76 E C -0.583 176.069 176.600 0.087 0.000 0.819 76 E CA 1.246 57.522 56.400 -0.207 0.000 1.111 76 E CB -1.085 28.491 29.700 -0.207 0.000 1.561 76 E HN 0.681 nan 8.360 nan 0.000 0.450 77 S N -1.203 114.574 115.700 0.129 0.000 2.614 77 S HA 0.388 4.858 4.470 0.000 0.000 0.265 77 S C -1.487 173.265 174.600 0.253 0.000 1.303 77 S CA -0.753 57.556 58.200 0.182 0.000 1.000 77 S CB 1.391 64.663 63.200 0.120 0.000 0.935 77 S HN -0.194 nan 8.310 nan 0.000 0.551 78 P HA -0.096 nan 4.420 nan 0.000 0.217 78 P C 1.389 178.898 177.300 0.349 0.000 1.151 78 P CA 1.637 64.923 63.100 0.309 0.000 0.849 78 P CB -0.330 31.556 31.700 0.310 0.000 0.787 79 T N -2.331 112.419 114.554 0.326 0.000 2.777 79 T HA -0.169 4.181 4.350 0.000 0.000 0.266 79 T C 1.406 176.172 174.700 0.111 0.000 1.040 79 T CA 1.032 63.243 62.100 0.184 0.000 1.141 79 T CB -0.995 67.879 68.868 0.010 0.000 0.868 79 T HN 0.204 nan 8.240 nan 0.000 0.444 80 W N 2.196 123.497 121.300 0.002 0.000 2.342 80 W HA -0.107 4.553 4.660 0.000 0.000 0.297 80 W C 2.064 178.629 176.519 0.077 0.000 1.213 80 W CA 1.157 58.520 57.345 0.029 0.000 1.251 80 W CB -0.095 29.372 29.460 0.012 0.000 1.136 80 W HN 0.336 nan 8.180 nan 0.000 0.526 81 E N -1.340 119.018 120.200 0.263 0.000 2.047 81 E HA -0.291 4.059 4.350 0.000 0.000 0.191 81 E C 1.908 178.463 176.600 -0.074 0.000 0.987 81 E CA 1.541 58.003 56.400 0.103 0.000 0.799 81 E CB -0.806 29.010 29.700 0.193 0.000 0.752 81 E HN 0.378 nan 8.360 nan 0.000 0.449 82 Y N 0.802 120.954 120.300 -0.247 0.000 2.181 82 Y HA -0.282 4.268 4.550 0.000 0.000 0.288 82 Y C 2.273 178.030 175.900 -0.239 0.000 1.146 82 Y CA 2.197 60.030 58.100 -0.444 0.000 1.164 82 Y CB -0.326 37.451 38.460 -1.139 0.000 0.982 82 Y HN 0.125 nan 8.280 nan 0.000 0.515 83 H N -1.085 117.871 119.070 -0.191 0.000 2.428 83 H HA -0.038 4.518 4.556 0.000 0.000 0.296 83 H C 1.796 176.996 175.328 -0.212 0.000 1.062 83 H CA 1.737 57.773 56.048 -0.021 0.000 1.350 83 H CB -0.126 29.728 29.762 0.154 0.000 1.403 83 H HN 0.206 nan 8.280 nan 0.000 0.533 84 V N 0.552 120.276 119.914 -0.317 0.000 3.573 84 V HA -0.035 4.085 4.120 0.000 0.000 0.270 84 V C 1.982 177.872 176.094 -0.341 0.000 1.221 84 V CA 1.290 63.339 62.300 -0.418 0.000 1.163 84 V CB -0.181 31.174 31.823 -0.780 0.000 0.847 84 V HN 0.402 nan 8.190 nan 0.000 0.468 85 K N -0.366 119.808 120.400 -0.377 0.000 2.286 85 K HA -0.007 4.313 4.320 0.000 0.000 0.203 85 K C 2.016 178.334 176.600 -0.470 0.000 1.078 85 K CA 1.035 57.108 56.287 -0.357 0.000 0.957 85 K CB 0.299 32.606 32.500 -0.323 0.000 1.018 85 K HN 0.366 nan 8.250 nan 0.000 0.484 86 T N -0.205 113.927 114.554 -0.704 0.000 2.896 86 T HA -0.011 4.339 4.350 0.000 0.000 0.263 86 T C 0.953 175.020 174.700 -1.056 0.000 1.050 86 T CA 1.077 62.596 62.100 -0.967 0.000 1.140 86 T CB -0.082 67.929 68.868 -1.428 0.000 0.877 86 T HN 0.264 nan 8.240 nan 0.000 0.457 87 Y N 0.235 120.167 120.300 -0.614 0.000 2.423 87 Y HA 0.476 5.026 4.550 0.000 0.000 0.257 87 Y C 1.285 176.863 175.900 -0.537 0.000 1.087 87 Y CA -0.119 57.533 58.100 -0.746 0.000 1.258 87 Y CB 0.888 38.680 38.460 -1.114 0.000 1.237 87 Y HN 0.329 nan 8.280 nan 0.000 0.517 88 G N 1.226 109.854 108.800 -0.286 0.000 2.675 88 G HA2 -0.223 3.737 3.960 0.000 0.000 0.686 88 G HA3 -0.223 3.737 3.960 0.000 0.000 0.686 88 G C 0.106 174.996 174.900 -0.016 0.000 1.215 88 G CA -0.082 44.936 45.100 -0.137 0.000 0.777 88 G HN 0.252 nan 8.290 nan 0.000 0.638 89 E N -0.040 120.142 120.200 -0.031 0.000 2.106 89 E HA -0.083 4.267 4.350 0.000 0.000 0.192 89 E C 1.950 178.626 176.600 0.126 0.000 0.984 89 E CA 1.285 57.694 56.400 0.015 0.000 0.806 89 E CB -0.052 29.643 29.700 -0.009 0.000 0.750 89 E HN 0.586 nan 8.360 nan 0.000 0.458 90 N N -0.437 118.328 118.700 0.109 0.000 2.383 90 N HA -0.001 4.739 4.740 0.000 0.000 0.192 90 N C -0.569 175.019 175.510 0.130 0.000 1.141 90 N CA -0.407 52.704 53.050 0.101 0.000 0.851 90 N CB 0.130 38.654 38.487 0.062 0.000 0.976 90 N HN 0.026 nan 8.380 nan 0.000 0.465 91 F N 2.905 122.882 119.950 0.045 0.000 2.434 91 F HA 0.110 4.637 4.527 0.000 0.000 0.358 91 F C 0.446 176.300 175.800 0.089 0.000 1.136 91 F CA -0.768 57.239 58.000 0.012 0.000 1.157 91 F CB 0.224 39.178 39.000 -0.077 0.000 1.167 91 F HN -0.064 nan 8.300 nan 0.000 0.539 92 E N 5.308 125.289 120.200 -0.364 0.000 2.373 92 E HA -0.120 4.230 4.350 0.000 0.000 0.267 92 E C 0.562 176.961 176.600 -0.335 0.000 1.032 92 E CA -0.013 56.246 56.400 -0.235 0.000 0.889 92 E CB 0.679 30.253 29.700 -0.210 0.000 0.984 92 E HN 0.835 nan 8.360 nan 0.000 0.425 93 Y N 3.210 123.438 120.300 -0.120 0.000 2.207 93 Y HA -0.240 4.310 4.550 0.000 0.000 0.287 93 Y C 1.772 177.718 175.900 0.076 0.000 1.156 93 Y CA 2.069 60.230 58.100 0.101 0.000 1.182 93 Y CB 0.246 38.869 38.460 0.272 0.000 0.979 93 Y HN 0.601 nan 8.280 nan 0.000 0.521 94 E N -0.099 120.151 120.200 0.083 0.000 2.267 94 E HA -0.183 4.167 4.350 0.000 0.000 0.197 94 E C 1.774 178.332 176.600 -0.071 0.000 0.998 94 E CA 1.003 57.456 56.400 0.087 0.000 0.830 94 E CB 0.038 29.713 29.700 -0.040 0.000 0.751 94 E HN 0.232 nan 8.360 nan 0.000 0.491 95 K N -0.323 119.848 120.400 -0.381 0.000 2.365 95 K HA -0.051 4.269 4.320 0.000 0.000 0.199 95 K C 1.461 177.859 176.600 -0.337 0.000 1.045 95 K CA 0.660 56.665 56.287 -0.471 0.000 0.962 95 K CB -0.300 31.650 32.500 -0.917 0.000 0.759 95 K HN 0.249 nan 8.250 nan 0.000 0.469 96 F N 1.487 121.275 119.950 -0.271 0.000 2.192 96 F HA -0.268 4.259 4.527 0.000 0.000 0.301 96 F C 2.270 177.906 175.800 -0.274 0.000 1.079 96 F CA 0.780 58.636 58.000 -0.239 0.000 1.303 96 F CB -0.361 38.349 39.000 -0.484 0.000 1.024 96 F HN 0.033 nan 8.300 nan 0.000 0.494 97 A N -0.001 122.718 122.820 -0.168 0.000 1.986 97 A HA -0.247 4.073 4.320 0.000 0.000 0.220 97 A C 1.750 179.300 177.584 -0.058 0.000 1.171 97 A CA 2.239 54.121 52.037 -0.259 0.000 0.640 97 A CB -0.632 18.241 19.000 -0.212 0.000 0.811 97 A HN 0.306 nan 8.150 nan 0.000 0.451 98 D N -0.853 119.543 120.400 -0.007 0.000 2.289 98 D HA 0.033 4.673 4.640 0.000 0.000 0.207 98 D C 1.364 177.693 176.300 0.049 0.000 0.966 98 D CA 0.608 54.621 54.000 0.022 0.000 0.868 98 D CB -0.089 40.724 40.800 0.022 0.000 0.943 98 D HN 0.360 nan 8.370 nan 0.000 0.514 99 L N -0.227 121.053 121.223 0.095 0.000 2.509 99 L HA 0.091 4.431 4.340 0.000 0.000 0.222 99 L C 0.559 177.510 176.870 0.135 0.000 1.123 99 L CA 0.212 55.130 54.840 0.130 0.000 0.856 99 L CB -0.270 41.916 42.059 0.213 0.000 0.985 99 L HN -0.079 nan 8.230 nan 0.000 0.456 100 F N 0.969 120.852 119.950 -0.112 0.000 2.566 100 F HA 0.199 4.727 4.527 0.000 0.000 0.349 100 F C 1.402 177.112 175.800 -0.149 0.000 1.245 100 F CA -0.580 57.303 58.000 -0.194 0.000 1.169 100 F CB -0.272 38.492 39.000 -0.393 0.000 1.470 100 F HN 0.079 nan 8.300 nan 0.000 0.634 101 T N 1.587 116.031 114.554 -0.183 0.000 3.014 101 T HA 0.348 4.698 4.350 0.000 0.000 0.250 101 T C 1.254 175.794 174.700 -0.266 0.000 1.060 101 T CA 0.302 62.264 62.100 -0.231 0.000 1.040 101 T CB -0.250 68.576 68.868 -0.070 0.000 0.971 101 T HN 1.130 nan 8.240 nan 0.000 0.497 102 A N 1.905 124.600 122.820 -0.209 0.000 2.687 102 A HA -0.239 4.081 4.320 0.000 0.000 0.299 102 A C 1.265 178.907 177.584 0.096 0.000 1.497 102 A CA 1.134 53.167 52.037 -0.008 0.000 0.751 102 A CB -2.317 16.558 19.000 -0.209 0.000 1.048 102 A HN 0.706 nan 8.150 nan 0.000 0.464 103 E N -0.203 120.042 120.200 0.076 0.000 2.153 103 E HA -0.158 4.192 4.350 0.000 0.000 0.194 103 E C 1.280 177.931 176.600 0.086 0.000 0.988 103 E CA 1.481 57.920 56.400 0.065 0.000 0.811 103 E CB -0.065 29.663 29.700 0.047 0.000 0.746 103 E HN 0.835 nan 8.360 nan 0.000 0.466 104 K N 0.082 120.553 120.400 0.118 0.000 2.498 104 K HA 0.045 4.365 4.320 0.000 0.000 0.207 104 K C -0.398 176.272 176.600 0.117 0.000 1.033 104 K CA -0.460 55.883 56.287 0.093 0.000 1.138 104 K CB 0.155 32.705 32.500 0.083 0.000 0.860 104 K HN 0.026 nan 8.250 nan 0.000 0.490 105 W N 2.603 123.856 121.300 -0.079 0.000 2.304 105 W HA 0.067 4.727 4.660 0.000 0.000 0.313 105 W C -0.457 175.905 176.519 -0.263 0.000 1.323 105 W CA -0.273 56.938 57.345 -0.223 0.000 1.223 105 W CB 0.525 29.890 29.460 -0.158 0.000 1.237 105 W HN -0.006 nan 8.180 nan 0.000 0.535 106 D N 8.647 128.559 120.400 -0.813 0.000 2.389 106 D HA 0.240 4.881 4.640 0.000 0.000 0.256 106 D C -1.485 174.140 176.300 -1.124 0.000 1.239 106 D CA -2.156 51.369 54.000 -0.791 0.000 0.925 106 D CB 1.944 42.515 40.800 -0.381 0.000 1.145 106 D HN 0.122 nan 8.370 nan 0.000 0.542 107 P HA -0.170 nan 4.420 nan 0.000 0.219 107 P C 1.351 178.376 177.300 -0.458 0.000 1.146 107 P CA 0.859 63.300 63.100 -1.098 0.000 0.808 107 P CB 0.675 31.743 31.700 -1.054 0.000 0.779 108 Q N 0.132 119.694 119.800 -0.397 0.000 2.084 108 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 108 Q C 2.279 178.172 176.000 -0.178 0.000 0.978 108 Q CA 1.460 57.128 55.803 -0.226 0.000 0.844 108 Q CB -0.250 28.371 28.738 -0.196 0.000 0.898 108 Q HN 0.406 nan 8.270 nan 0.000 0.426 109 E N -0.479 119.603 120.200 -0.197 0.000 2.058 109 E HA -0.219 4.131 4.350 0.000 0.000 0.194 109 E C 1.707 178.252 176.600 -0.092 0.000 0.997 109 E CA 1.220 57.552 56.400 -0.113 0.000 0.801 109 E CB -0.101 29.557 29.700 -0.069 0.000 0.746 109 E HN 0.400 nan 8.360 nan 0.000 0.450 110 W N 0.560 121.603 121.300 -0.428 0.000 2.333 110 W HA -0.138 4.522 4.660 0.000 0.000 0.316 110 W C 2.574 178.519 176.519 -0.956 0.000 1.215 110 W CA 1.134 58.047 57.345 -0.720 0.000 1.278 110 W CB -1.218 28.014 29.460 -0.380 0.000 1.154 110 W HN 0.109 nan 8.180 nan 0.000 0.486 111 A N -0.344 122.374 122.820 -0.170 0.000 1.940 111 A HA -0.254 4.066 4.320 0.000 0.000 0.219 111 A C 1.706 179.240 177.584 -0.082 0.000 1.176 111 A CA 2.433 54.449 52.037 -0.034 0.000 0.631 111 A CB -0.938 18.074 19.000 0.021 0.000 0.814 111 A HN 0.296 nan 8.150 nan 0.000 0.446 112 D N -1.231 119.089 120.400 -0.134 0.000 2.162 112 D HA -0.027 4.613 4.640 0.000 0.000 0.205 112 D C 1.833 178.081 176.300 -0.086 0.000 0.964 112 D CA 0.860 54.812 54.000 -0.080 0.000 0.847 112 D CB -0.080 40.678 40.800 -0.071 0.000 0.988 112 D HN 0.308 nan 8.370 nan 0.000 0.480 113 L N -0.156 120.953 121.223 -0.189 0.000 2.042 113 L HA -0.126 4.214 4.340 0.000 0.000 0.210 113 L C 1.676 178.543 176.870 -0.005 0.000 1.076 113 L CA 1.686 56.437 54.840 -0.147 0.000 0.749 113 L CB -0.644 41.260 42.059 -0.260 0.000 0.893 113 L HN 0.122 nan 8.230 nan 0.000 0.432 114 F N -0.360 119.589 119.950 -0.002 0.000 2.186 114 F HA -0.163 4.364 4.527 0.000 0.000 0.299 114 F C 2.591 178.378 175.800 -0.022 0.000 1.090 114 F CA 0.983 58.959 58.000 -0.039 0.000 1.307 114 F CB -0.357 38.611 39.000 -0.054 0.000 1.019 114 F HN 0.085 nan 8.300 nan 0.000 0.489 115 K N 1.353 121.857 120.400 0.172 0.000 2.026 115 K HA -0.182 4.138 4.320 0.000 0.000 0.208 115 K C 1.891 178.557 176.600 0.110 0.000 1.048 115 K CA 1.377 57.730 56.287 0.110 0.000 0.929 115 K CB -0.068 32.473 32.500 0.068 0.000 0.713 115 K HN 0.165 nan 8.250 nan 0.000 0.439 116 K N -0.141 120.316 120.400 0.096 0.000 2.148 116 K HA -0.071 4.249 4.320 0.000 0.000 0.204 116 K C 1.915 178.607 176.600 0.152 0.000 1.050 116 K CA 1.015 57.361 56.287 0.098 0.000 0.942 116 K CB -0.027 32.510 32.500 0.062 0.000 0.724 116 K HN 0.181 nan 8.250 nan 0.000 0.446 117 A N 0.374 123.312 122.820 0.197 0.000 2.168 117 A HA 0.060 4.380 4.320 0.000 0.000 0.215 117 A C 1.528 179.373 177.584 0.435 0.000 1.152 117 A CA 1.250 53.463 52.037 0.293 0.000 0.716 117 A CB -0.396 18.803 19.000 0.330 0.000 0.794 117 A HN 0.446 nan 8.150 nan 0.000 0.465 118 G N -2.456 106.553 108.800 0.348 0.000 2.159 118 G HA2 0.129 4.089 3.960 0.000 0.000 0.227 118 G HA3 0.129 4.089 3.960 0.000 0.000 0.227 118 G C 0.429 175.597 174.900 0.447 0.000 0.986 118 G CA 0.268 45.633 45.100 0.443 0.000 0.651 118 G HN 1.556 nan 8.290 nan 0.000 0.523 119 A N -0.212 122.648 122.820 0.066 0.000 2.425 119 A HA 0.659 4.979 4.320 0.000 0.000 0.242 119 A C 1.274 178.802 177.584 -0.093 0.000 1.077 119 A CA 0.905 52.690 52.037 -0.419 0.000 0.781 119 A CB 0.419 18.977 19.000 -0.737 0.000 1.020 119 A HN 0.183 nan 8.150 nan 0.000 0.494 120 K N -0.250 120.118 120.400 -0.053 0.000 2.412 120 K HA 0.168 4.488 4.320 0.000 0.000 0.202 120 K C -0.743 176.023 176.600 0.277 0.000 1.102 120 K CA 0.627 56.999 56.287 0.141 0.000 1.027 120 K CB 0.433 33.081 32.500 0.246 0.000 0.931 120 K HN 0.821 nan 8.250 nan 0.000 0.557 121 Y N -2.630 117.678 120.300 0.013 0.000 2.597 121 Y HA 0.683 5.234 4.550 0.000 0.000 0.340 121 Y C -0.758 175.114 175.900 -0.045 0.000 1.097 121 Y CA -1.534 56.606 58.100 0.066 0.000 1.037 121 Y CB 1.340 39.961 38.460 0.269 0.000 1.305 121 Y HN -0.346 nan 8.280 nan 0.000 0.463 122 V N 3.522 123.495 119.914 0.099 0.000 2.638 122 V HA 0.506 4.626 4.120 0.000 0.000 0.306 122 V C -0.692 175.390 176.094 -0.020 0.000 1.052 122 V CA -0.798 61.470 62.300 -0.053 0.000 0.885 122 V CB 1.863 33.754 31.823 0.114 0.000 0.999 122 V HN 0.746 nan 8.190 nan 0.000 0.424 123 I N 6.680 127.217 120.570 -0.054 0.000 2.517 123 I HA 0.377 4.547 4.170 0.000 0.000 0.280 123 I C -2.671 173.522 176.117 0.126 0.000 1.061 123 I CA -1.599 59.694 61.300 -0.013 0.000 1.091 123 I CB 2.774 40.799 38.000 0.041 0.000 1.205 123 I HN 0.425 nan 8.210 nan 0.000 0.459 124 P HA 0.176 nan 4.420 nan 0.000 0.284 124 P C -0.225 177.162 177.300 0.145 0.000 1.258 124 P CA -0.311 62.903 63.100 0.189 0.000 0.824 124 P CB 0.999 32.920 31.700 0.369 0.000 1.038 125 T N -1.484 113.051 114.554 -0.031 0.000 2.761 125 T HA 0.082 4.432 4.350 0.000 0.000 0.287 125 T C 1.433 176.282 174.700 0.248 0.000 0.931 125 T CA 0.137 62.219 62.100 -0.030 0.000 1.164 125 T CB -0.902 67.740 68.868 -0.376 0.000 0.876 125 T HN 0.552 nan 8.240 nan 0.000 0.534 126 T N 0.026 114.811 114.554 0.385 0.000 2.942 126 T HA 0.104 4.454 4.350 0.000 0.000 0.265 126 T C 0.574 175.612 174.700 0.563 0.000 1.062 126 T CA 0.285 62.656 62.100 0.452 0.000 1.139 126 T CB 0.002 69.065 68.868 0.325 0.000 0.883 126 T HN 0.681 nan 8.240 nan 0.000 0.468 127 K N 0.476 121.164 120.400 0.480 0.000 2.616 127 K HA 0.199 4.519 4.320 0.000 0.000 0.255 127 K C -1.372 175.380 176.600 0.254 0.000 0.995 127 K CA -0.668 55.814 56.287 0.324 0.000 0.860 127 K CB 1.474 34.133 32.500 0.264 0.000 1.264 127 K HN 0.346 nan 8.250 nan 0.000 0.451 128 H N 1.737 120.892 119.070 0.142 0.000 2.584 128 H HA 0.198 4.754 4.556 0.000 0.000 0.299 128 H C 0.706 175.951 175.328 -0.138 0.000 1.548 128 H CA -0.014 56.037 56.048 0.004 0.000 1.544 128 H CB 0.966 30.664 29.762 -0.107 0.000 1.732 128 H HN 0.674 nan 8.280 nan 0.000 0.813 129 H N 0.098 118.743 119.070 -0.708 0.000 2.489 129 H HA -0.122 4.434 4.556 0.000 0.000 0.293 129 H C 1.416 176.117 175.328 -1.046 0.000 1.066 129 H CA 1.287 56.605 56.048 -1.217 0.000 1.305 129 H CB -0.357 28.083 29.762 -2.203 0.000 1.386 129 H HN 0.577 nan 8.280 nan 0.000 0.551 130 D N -0.553 119.711 120.400 -0.226 0.000 2.371 130 D HA 0.003 4.643 4.640 0.000 0.000 0.221 130 D C 1.740 178.303 176.300 0.437 0.000 0.986 130 D CA 0.907 55.080 54.000 0.289 0.000 0.899 130 D CB -0.393 40.777 40.800 0.615 0.000 0.902 130 D HN 0.409 nan 8.370 nan 0.000 0.530 131 G N -0.273 108.716 108.800 0.315 0.000 2.176 131 G HA2 -0.290 3.670 3.960 0.000 0.000 0.253 131 G HA3 -0.290 3.670 3.960 0.000 0.000 0.253 131 G C -0.033 175.183 174.900 0.528 0.000 0.979 131 G CA 0.068 45.427 45.100 0.432 0.000 0.641 131 G HN 0.432 nan 8.290 nan 0.000 0.530 132 F N 2.309 122.415 119.950 0.260 0.000 2.467 132 F HA 0.557 5.084 4.527 0.000 0.000 0.362 132 F C 0.801 176.567 175.800 -0.055 0.000 1.090 132 F CA -0.697 57.186 58.000 -0.195 0.000 1.202 132 F CB 0.517 39.230 39.000 -0.479 0.000 1.113 132 F HN 0.184 nan 8.300 nan 0.000 0.541 133 C N 7.622 126.447 119.300 -0.791 0.000 2.319 133 C HA 0.319 4.779 4.460 0.000 0.000 0.335 133 C C 1.248 175.881 174.990 -0.594 0.000 1.274 133 C CA -0.978 57.740 59.018 -0.499 0.000 1.806 133 C CB 0.512 27.817 27.740 -0.726 0.000 2.329 133 C HN 0.782 nan 8.230 nan 0.000 0.524 134 L N 1.958 123.182 121.223 0.001 0.000 2.653 134 L HA 0.177 4.517 4.340 0.000 0.000 0.232 134 L C 0.145 177.167 176.870 0.255 0.000 1.169 134 L CA 0.317 55.200 54.840 0.071 0.000 0.951 134 L CB -0.839 41.327 42.059 0.178 0.000 1.181 134 L HN 0.873 nan 8.230 nan 0.000 0.460 135 W N -2.050 119.235 121.300 -0.025 0.000 3.017 135 W HA 0.656 5.317 4.660 0.000 0.000 0.341 135 W C 0.492 177.027 176.519 0.026 0.000 1.180 135 W CA -1.249 56.135 57.345 0.065 0.000 1.097 135 W CB 0.745 30.345 29.460 0.232 0.000 1.468 135 W HN -0.134 nan 8.180 nan 0.000 0.584 136 G N 1.772 110.612 108.800 0.066 0.000 3.401 136 G HA2 0.251 4.211 3.960 0.000 0.000 0.251 136 G HA3 0.251 4.211 3.960 0.000 0.000 0.251 136 G C -0.014 174.759 174.900 -0.212 0.000 0.960 136 G CA -0.002 45.042 45.100 -0.093 0.000 1.900 136 G HN 0.585 nan 8.290 nan 0.000 0.645 137 T N -0.228 113.935 114.554 -0.652 0.000 2.932 137 T HA 0.112 4.462 4.350 0.000 0.000 0.312 137 T C 1.687 176.206 174.700 -0.302 0.000 1.071 137 T CA 0.062 61.856 62.100 -0.509 0.000 1.128 137 T CB 0.547 68.912 68.868 -0.840 0.000 0.984 137 T HN 0.570 nan 8.240 nan 0.000 0.549 138 K N 2.891 123.061 120.400 -0.382 0.000 2.404 138 K HA 0.055 4.375 4.320 0.000 0.000 0.194 138 K C 0.467 176.793 176.600 -0.456 0.000 1.023 138 K CA 0.510 56.521 56.287 -0.459 0.000 1.094 138 K CB 0.102 32.278 32.500 -0.539 0.000 0.841 138 K HN 0.741 nan 8.250 nan 0.000 0.523 139 Y N 0.802 121.154 120.300 0.087 0.000 2.458 139 Y HA 0.199 4.750 4.550 0.000 0.000 0.256 139 Y C 0.577 176.647 175.900 0.283 0.000 1.159 139 Y CA -0.451 57.778 58.100 0.215 0.000 1.261 139 Y CB 1.304 39.942 38.460 0.298 0.000 1.119 139 Y HN 0.011 nan 8.280 nan 0.000 0.524 140 T N -0.997 113.705 114.554 0.247 0.000 2.885 140 T HA 0.160 4.510 4.350 0.000 0.000 0.322 140 T C -0.486 174.253 174.700 0.064 0.000 1.387 140 T CA -0.619 61.590 62.100 0.181 0.000 1.041 140 T CB 1.262 70.303 68.868 0.289 0.000 1.287 140 T HN -0.037 nan 8.240 nan 0.000 0.491 141 D N 1.568 122.018 120.400 0.083 0.000 2.349 141 D HA 0.090 4.730 4.640 0.000 0.000 0.215 141 D C 0.361 176.744 176.300 0.138 0.000 1.016 141 D CA 0.320 54.360 54.000 0.066 0.000 0.870 141 D CB 0.067 40.907 40.800 0.067 0.000 0.917 141 D HN 0.377 nan 8.370 nan 0.000 0.524 142 F N 3.050 122.996 119.950 -0.006 0.000 2.661 142 F HA 0.164 4.691 4.527 0.000 0.000 0.356 142 F C 0.162 175.852 175.800 -0.183 0.000 1.244 142 F CA -0.842 57.194 58.000 0.061 0.000 1.290 142 F CB -0.965 38.114 39.000 0.133 0.000 1.677 142 F HN -0.130 nan 8.300 nan 0.000 0.649 143 N N -1.683 116.776 118.700 -0.402 0.000 2.853 143 N HA 0.256 4.996 4.740 0.000 0.000 0.258 143 N C 0.076 175.277 175.510 -0.515 0.000 1.444 143 N CA -0.237 52.301 53.050 -0.853 0.000 0.837 143 N CB 0.780 38.925 38.487 -0.569 0.000 1.489 143 N HN -0.119 nan 8.380 nan 0.000 0.529 144 S N -1.272 114.150 115.700 -0.462 0.000 2.562 144 S HA 0.035 4.505 4.470 0.000 0.000 0.221 144 S C 1.138 175.691 174.600 -0.077 0.000 0.975 144 S CA 0.375 58.529 58.200 -0.076 0.000 0.918 144 S CB -0.398 62.755 63.200 -0.078 0.000 0.772 144 S HN 0.346 nan 8.310 nan 0.000 0.531 145 V N 1.655 121.512 119.914 -0.095 0.000 2.500 145 V HA 0.074 4.194 4.120 0.000 0.000 0.243 145 V C 2.480 178.553 176.094 -0.035 0.000 1.039 145 V CA 1.121 63.392 62.300 -0.049 0.000 1.053 145 V CB -0.309 31.492 31.823 -0.037 0.000 0.695 145 V HN 0.385 nan 8.190 nan 0.000 0.463 146 K N 0.106 120.483 120.400 -0.039 0.000 2.243 146 K HA 0.112 4.432 4.320 0.000 0.000 0.201 146 K C 0.716 177.331 176.600 0.025 0.000 1.051 146 K CA 0.508 56.791 56.287 -0.006 0.000 0.970 146 K CB 0.174 32.673 32.500 -0.001 0.000 0.755 146 K HN 0.337 nan 8.250 nan 0.000 0.465 147 R N -0.835 119.695 120.500 0.049 0.000 2.912 147 R HA 0.384 4.724 4.340 0.000 0.000 0.262 147 R C 0.818 177.147 176.300 0.049 0.000 1.057 147 R CA -0.009 56.141 56.100 0.082 0.000 0.981 147 R CB 0.786 31.194 30.300 0.180 0.000 1.201 147 R HN 0.181 nan 8.270 nan 0.000 0.484 148 G N 1.680 110.485 108.800 0.009 0.000 2.686 148 G HA2 -0.333 3.627 3.960 0.000 0.000 0.329 148 G HA3 -0.333 3.627 3.960 0.000 0.000 0.329 148 G C -1.529 173.272 174.900 -0.166 0.000 1.187 148 G CA 0.491 45.545 45.100 -0.076 0.000 0.965 148 G HN 0.515 nan 8.290 nan 0.000 0.549 149 P HA 0.138 nan 4.420 nan 0.000 0.226 149 P C 0.488 177.703 177.300 -0.142 0.000 1.153 149 P CA 1.364 64.280 63.100 -0.307 0.000 0.777 149 P CB 0.070 31.460 31.700 -0.516 0.000 0.794 150 K N -0.929 119.413 120.400 -0.096 0.000 3.096 150 K HA -0.207 4.113 4.320 0.000 0.000 0.266 150 K C 0.086 176.670 176.600 -0.028 0.000 1.043 150 K CA 0.733 56.993 56.287 -0.045 0.000 0.758 150 K CB -1.804 30.679 32.500 -0.029 0.000 1.260 150 K HN 0.398 nan 8.250 nan 0.000 0.481 151 R N 0.788 121.265 120.500 -0.037 0.000 2.626 151 R HA 0.140 4.480 4.340 0.000 0.000 0.274 151 R C -1.432 174.888 176.300 0.033 0.000 1.031 151 R CA -0.692 55.417 56.100 0.015 0.000 0.898 151 R CB 1.296 31.617 30.300 0.035 0.000 1.222 151 R HN 0.001 nan 8.270 nan 0.000 0.455 152 D N 5.075 125.536 120.400 0.102 0.000 2.455 152 D HA 0.072 4.712 4.640 0.000 0.000 0.234 152 D C 0.999 177.410 176.300 0.185 0.000 1.224 152 D CA 0.022 54.118 54.000 0.161 0.000 0.999 152 D CB 0.477 41.406 40.800 0.216 0.000 1.072 152 D HN 0.558 nan 8.370 nan 0.000 0.514 153 L N 2.603 123.894 121.223 0.113 0.000 2.083 153 L HA -0.145 4.195 4.340 0.000 0.000 0.209 153 L C 2.304 179.327 176.870 0.256 0.000 1.083 153 L CA 0.486 55.378 54.840 0.086 0.000 0.752 153 L CB -0.241 41.701 42.059 -0.195 0.000 0.899 153 L HN 0.289 nan 8.230 nan 0.000 0.433 154 V N 0.210 120.232 119.914 0.181 0.000 2.323 154 V HA -0.143 3.977 4.120 0.000 0.000 0.244 154 V C 2.641 178.585 176.094 -0.251 0.000 1.041 154 V CA 1.964 64.300 62.300 0.060 0.000 1.025 154 V CB -1.117 30.672 31.823 -0.056 0.000 0.656 154 V HN 0.533 nan 8.190 nan 0.000 0.451 155 G N -0.378 108.284 108.800 -0.231 0.000 2.418 155 G HA2 -0.240 3.721 3.960 0.000 0.000 0.217 155 G HA3 -0.240 3.721 3.960 0.000 0.000 0.217 155 G C 1.215 176.088 174.900 -0.044 0.000 1.158 155 G CA 1.064 46.088 45.100 -0.125 0.000 0.771 155 G HN 0.500 nan 8.290 nan 0.000 0.545 156 D N -0.261 120.191 120.400 0.086 0.000 2.194 156 D HA -0.020 4.620 4.640 0.000 0.000 0.204 156 D C 2.306 178.612 176.300 0.011 0.000 0.964 156 D CA 0.190 54.232 54.000 0.069 0.000 0.846 156 D CB -0.113 40.780 40.800 0.155 0.000 0.962 156 D HN 0.228 nan 8.370 nan 0.000 0.490 157 L N 0.794 122.110 121.223 0.156 0.000 2.109 157 L HA 0.074 4.414 4.340 0.000 0.000 0.207 157 L C 2.055 178.846 176.870 -0.132 0.000 1.086 157 L CA 1.290 56.235 54.840 0.175 0.000 0.760 157 L CB -0.784 41.603 42.059 0.547 0.000 0.910 157 L HN -0.046 nan 8.230 nan 0.000 0.437 158 A N -0.429 122.009 122.820 -0.638 0.000 1.883 158 A HA -0.264 4.056 4.320 0.000 0.000 0.217 158 A C 2.353 179.675 177.584 -0.438 0.000 1.186 158 A CA 2.106 53.411 52.037 -1.219 0.000 0.624 158 A CB -0.537 17.613 19.000 -1.417 0.000 0.822 158 A HN 0.478 nan 8.150 nan 0.000 0.444 159 K N -0.512 119.738 120.400 -0.250 0.000 2.032 159 K HA -0.099 4.221 4.320 0.000 0.000 0.209 159 K C 2.318 178.864 176.600 -0.090 0.000 1.048 159 K CA 1.246 57.460 56.287 -0.121 0.000 0.927 159 K CB -0.333 32.121 32.500 -0.076 0.000 0.712 159 K HN 0.457 nan 8.250 nan 0.000 0.441 160 A N 0.800 123.564 122.820 -0.093 0.000 1.930 160 A HA -0.100 4.220 4.320 0.000 0.000 0.217 160 A C 2.338 179.922 177.584 -0.000 0.000 1.175 160 A CA 1.263 53.261 52.037 -0.065 0.000 0.627 160 A CB -0.514 18.422 19.000 -0.107 0.000 0.815 160 A HN 0.076 nan 8.150 nan 0.000 0.443 161 V N -0.112 119.830 119.914 0.046 0.000 2.358 161 V HA -0.231 3.889 4.120 0.000 0.000 0.246 161 V C 2.626 178.776 176.094 0.094 0.000 1.047 161 V CA 2.203 64.592 62.300 0.148 0.000 1.035 161 V CB -0.747 31.264 31.823 0.313 0.000 0.658 161 V HN 0.522 nan 8.190 nan 0.000 0.452 162 R N -0.223 120.300 120.500 0.038 0.000 2.115 162 R HA -0.118 4.222 4.340 0.000 0.000 0.226 162 R C 2.230 178.536 176.300 0.011 0.000 1.100 162 R CA 1.275 57.392 56.100 0.027 0.000 0.980 162 R CB -0.196 30.105 30.300 0.003 0.000 0.875 162 R HN 0.593 nan 8.270 nan 0.000 0.445 163 E N 0.336 120.534 120.200 -0.004 0.000 2.204 163 E HA -0.106 4.244 4.350 0.000 0.000 0.194 163 E C 1.529 178.128 176.600 -0.002 0.000 0.989 163 E CA 1.052 57.446 56.400 -0.010 0.000 0.824 163 E CB 0.085 29.770 29.700 -0.026 0.000 0.756 163 E HN 0.328 nan 8.360 nan 0.000 0.477 164 A N -0.034 122.793 122.820 0.011 0.000 2.251 164 A HA 0.306 4.626 4.320 0.000 0.000 0.209 164 A C 1.621 179.221 177.584 0.026 0.000 1.187 164 A CA 0.698 52.747 52.037 0.018 0.000 0.823 164 A CB -0.156 18.863 19.000 0.032 0.000 0.846 164 A HN 0.302 nan 8.150 nan 0.000 0.486 165 G N -1.294 107.521 108.800 0.025 0.000 2.131 165 G HA2 -0.165 3.796 3.960 0.000 0.000 0.223 165 G HA3 -0.165 3.796 3.960 0.000 0.000 0.223 165 G C -0.044 174.870 174.900 0.024 0.000 0.990 165 G CA 0.202 45.312 45.100 0.017 0.000 0.671 165 G HN 0.370 nan 8.290 nan 0.000 0.521 166 L N 0.410 121.666 121.223 0.056 0.000 2.344 166 L HA 0.590 4.930 4.340 0.000 0.000 0.272 166 L C 1.005 177.922 176.870 0.078 0.000 1.035 166 L CA -1.115 53.773 54.840 0.080 0.000 0.807 166 L CB 1.008 43.148 42.059 0.135 0.000 1.237 166 L HN 0.047 nan 8.230 nan 0.000 0.442 167 R N 1.316 121.840 120.500 0.040 0.000 2.594 167 R HA 0.278 4.619 4.340 0.000 0.000 0.272 167 R C -0.945 175.492 176.300 0.230 0.000 1.074 167 R CA -0.165 55.925 56.100 -0.016 0.000 1.105 167 R CB 0.747 30.794 30.300 -0.422 0.000 1.008 167 R HN 0.328 nan 8.270 nan 0.000 0.472 168 F N 0.439 120.447 119.950 0.096 0.000 2.493 168 F HA 0.553 5.080 4.527 0.000 0.000 0.329 168 F C -0.147 175.796 175.800 0.239 0.000 1.126 168 F CA -0.381 57.723 58.000 0.173 0.000 0.937 168 F CB 1.742 40.820 39.000 0.130 0.000 1.146 168 F HN 0.567 nan 8.300 nan 0.000 0.442 169 G N 3.313 111.878 108.800 -0.391 0.000 2.816 169 G HA2 0.658 4.618 3.960 0.000 0.000 0.288 169 G HA3 0.658 4.618 3.960 0.000 0.000 0.288 169 G C -1.797 172.848 174.900 -0.425 0.000 1.334 169 G CA -0.693 44.310 45.100 -0.161 0.000 0.978 169 G HN 1.065 nan 8.290 nan 0.000 0.493 170 V N -2.220 117.684 119.914 -0.016 0.000 2.709 170 V HA 0.696 4.816 4.120 0.000 0.000 0.308 170 V C -1.153 175.135 176.094 0.324 0.000 1.062 170 V CA -1.275 61.070 62.300 0.075 0.000 0.901 170 V CB 1.152 33.021 31.823 0.077 0.000 1.003 170 V HN 0.840 nan 8.190 nan 0.000 0.425 171 Y N 4.942 125.386 120.300 0.239 0.000 2.308 171 Y HA 0.729 5.279 4.550 0.000 0.000 0.329 171 Y C -1.250 174.849 175.900 0.331 0.000 1.111 171 Y CA -0.634 57.675 58.100 0.348 0.000 1.179 171 Y CB 1.618 40.217 38.460 0.231 0.000 1.201 171 Y HN 0.857 nan 8.280 nan 0.000 0.483 172 Y N 4.370 124.525 120.300 -0.241 0.000 2.386 172 Y HA 0.299 4.849 4.550 -0.000 0.000 0.334 172 Y C -0.726 174.945 175.900 -0.382 0.000 1.002 172 Y CA -0.931 57.102 58.100 -0.111 0.000 1.068 172 Y CB 1.891 40.377 38.460 0.043 0.000 1.203 172 Y HN 0.601 nan 8.280 nan 0.000 0.443 173 S N 4.300 119.593 115.700 -0.679 0.000 3.530 173 S HA 0.230 4.700 4.470 0.000 0.000 0.279 173 S C 1.147 175.449 174.600 -0.496 0.000 1.280 173 S CA 0.429 58.348 58.200 -0.468 0.000 0.946 173 S CB -0.662 62.408 63.200 -0.217 0.000 1.501 173 S HN 1.062 nan 8.310 nan 0.000 0.498 174 G N 2.980 111.657 108.800 -0.204 0.000 2.394 174 G HA2 -0.034 3.926 3.960 0.000 0.000 0.215 174 G HA3 -0.034 3.926 3.960 0.000 0.000 0.215 174 G C 1.285 176.094 174.900 -0.150 0.000 1.165 174 G CA 0.543 45.597 45.100 -0.076 0.000 0.784 174 G HN 0.716 nan 8.290 nan 0.000 0.535 175 G N -0.809 107.900 108.800 -0.151 0.000 2.572 175 G HA2 0.298 4.258 3.960 0.000 0.000 0.216 175 G HA3 0.298 4.258 3.960 0.000 0.000 0.216 175 G C 0.048 174.787 174.900 -0.268 0.000 1.133 175 G CA 0.246 45.249 45.100 -0.162 0.000 0.791 175 G HN 0.295 nan 8.290 nan 0.000 0.538 176 L N 0.503 121.508 121.223 -0.363 0.000 2.438 176 L HA 0.567 4.907 4.340 0.000 0.000 0.270 176 L C -1.927 174.627 176.870 -0.527 0.000 0.972 176 L CA -0.943 53.588 54.840 -0.515 0.000 0.831 176 L CB 2.599 44.174 42.059 -0.806 0.000 1.273 176 L HN -0.119 nan 8.230 nan 0.000 0.405 177 D N 2.905 123.014 120.400 -0.484 0.000 2.470 177 D HA 0.155 4.795 4.640 0.000 0.000 0.233 177 D C -0.232 176.071 176.300 0.005 0.000 1.372 177 D CA -0.221 53.633 54.000 -0.244 0.000 0.994 177 D CB 0.884 41.673 40.800 -0.019 0.000 1.377 177 D HN 0.379 nan 8.370 nan 0.000 0.586 178 W N 2.889 124.216 121.300 0.046 0.000 3.077 178 W HA 0.076 4.736 4.660 -0.000 0.000 0.245 178 W C 1.571 178.102 176.519 0.020 0.000 1.316 178 W CA -0.256 57.088 57.345 -0.002 0.000 1.537 178 W CB -0.231 29.196 29.460 -0.054 0.000 1.131 178 W HN 0.331 nan 8.180 nan 0.000 0.695 179 R N -0.374 120.280 120.500 0.257 0.000 2.235 179 R HA -0.039 4.301 4.340 0.000 0.000 0.213 179 R C 1.086 177.270 176.300 -0.194 0.000 1.059 179 R CA 0.715 56.818 56.100 0.006 0.000 0.997 179 R CB -0.863 29.409 30.300 -0.047 0.000 0.884 179 R HN 0.216 nan 8.270 nan 0.000 0.462 180 F N -0.148 119.779 119.950 -0.039 0.000 2.704 180 F HA 0.119 4.646 4.527 0.000 0.000 0.304 180 F C 0.909 176.667 175.800 -0.071 0.000 1.094 180 F CA -0.049 57.900 58.000 -0.085 0.000 1.275 180 F CB 0.424 39.315 39.000 -0.181 0.000 1.073 180 F HN -0.198 nan 8.300 nan 0.000 0.586 181 T N -3.568 111.059 114.554 0.121 0.000 2.893 181 T HA 0.402 4.752 4.350 0.000 0.000 0.291 181 T C 0.761 175.465 174.700 0.006 0.000 1.028 181 T CA -0.024 62.107 62.100 0.052 0.000 0.995 181 T CB 1.968 70.871 68.868 0.057 0.000 1.051 181 T HN 0.060 nan 8.240 nan 0.000 0.470 182 T N -1.527 113.006 114.554 -0.035 0.000 3.034 182 T HA 0.221 4.571 4.350 0.000 0.000 0.248 182 T C 0.499 175.133 174.700 -0.110 0.000 1.040 182 T CA 0.100 62.161 62.100 -0.065 0.000 1.107 182 T CB -0.174 68.664 68.868 -0.050 0.000 0.932 182 T HN 0.660 nan 8.240 nan 0.000 0.474 183 E N 4.035 124.169 120.200 -0.109 0.000 2.259 183 E HA 0.370 4.720 4.350 0.000 0.000 0.281 183 E C -2.500 173.957 176.600 -0.238 0.000 1.027 183 E CA -2.632 53.684 56.400 -0.139 0.000 0.838 183 E CB 0.919 30.569 29.700 -0.083 0.000 1.066 183 E HN 0.240 nan 8.360 nan 0.000 0.401 184 P HA 0.086 nan 4.420 nan 0.000 0.274 184 P C -0.425 176.643 177.300 -0.386 0.000 1.231 184 P CA -0.363 62.500 63.100 -0.395 0.000 0.790 184 P CB 0.587 32.067 31.700 -0.367 0.000 0.951 185 I N 3.600 123.910 120.570 -0.433 0.000 2.505 185 I HA 0.095 4.265 4.170 0.000 0.000 0.287 185 I C 1.793 177.530 176.117 -0.634 0.000 1.104 185 I CA 0.404 61.395 61.300 -0.515 0.000 1.387 185 I CB -0.246 37.438 38.000 -0.528 0.000 1.404 185 I HN 0.428 nan 8.210 nan 0.000 0.528 186 R N 4.575 124.703 120.500 -0.620 0.000 2.221 186 R HA 0.191 4.531 4.340 0.000 0.000 0.195 186 R C -0.520 175.334 176.300 -0.744 0.000 0.956 186 R CA 0.399 55.983 56.100 -0.859 0.000 1.064 186 R CB 0.560 30.277 30.300 -0.973 0.000 1.049 186 R HN 0.478 nan 8.270 nan 0.000 0.534 187 Y N -1.105 119.175 120.300 -0.034 0.000 2.609 187 Y HA 0.314 4.864 4.550 0.000 0.000 0.342 187 Y C -1.944 174.000 175.900 0.073 0.000 1.058 187 Y CA -2.817 55.400 58.100 0.195 0.000 1.055 187 Y CB 1.101 39.667 38.460 0.177 0.000 1.292 187 Y HN -0.232 nan 8.280 nan 0.000 0.476 188 P HA -0.133 nan 4.420 nan 0.000 0.216 188 P C 0.541 177.919 177.300 0.129 0.000 1.150 188 P CA 1.729 65.007 63.100 0.296 0.000 0.837 188 P CB 0.343 32.200 31.700 0.261 0.000 0.786 189 E N -0.466 119.822 120.200 0.147 0.000 2.204 189 E HA -0.177 4.173 4.350 0.000 0.000 0.195 189 E C 1.564 178.208 176.600 0.073 0.000 0.990 189 E CA 1.053 57.525 56.400 0.119 0.000 0.821 189 E CB -0.860 28.923 29.700 0.140 0.000 0.750 189 E HN 0.282 nan 8.360 nan 0.000 0.477 190 D N 0.334 120.721 120.400 -0.023 0.000 2.221 190 D HA -0.146 4.494 4.640 0.000 0.000 0.204 190 D C 1.638 177.680 176.300 -0.431 0.000 0.982 190 D CA 0.711 54.492 54.000 -0.366 0.000 0.857 190 D CB -0.113 40.487 40.800 -0.333 0.000 0.934 190 D HN 0.230 nan 8.370 nan 0.000 0.475 191 L N 0.807 121.912 121.223 -0.197 0.000 2.265 191 L HA -0.135 4.205 4.340 0.000 0.000 0.215 191 L C 2.297 179.122 176.870 -0.075 0.000 1.117 191 L CA 0.991 55.760 54.840 -0.119 0.000 0.782 191 L CB -0.419 41.633 42.059 -0.012 0.000 0.914 191 L HN 0.067 nan 8.230 nan 0.000 0.441 192 S N -0.544 115.145 115.700 -0.019 0.000 2.515 192 S HA -0.164 4.306 4.470 0.000 0.000 0.231 192 S C 1.434 176.116 174.600 0.138 0.000 0.987 192 S CA 0.999 59.243 58.200 0.075 0.000 0.936 192 S CB -0.209 63.075 63.200 0.140 0.000 0.766 192 S HN 0.703 nan 8.310 nan 0.000 0.528 193 Y N -1.295 118.996 120.300 -0.014 0.000 2.450 193 Y HA 0.535 5.085 4.550 0.000 0.000 0.279 193 Y C 0.433 176.312 175.900 -0.034 0.000 1.106 193 Y CA -1.044 57.043 58.100 -0.023 0.000 1.143 193 Y CB 0.221 38.672 38.460 -0.015 0.000 1.328 193 Y HN 0.108 nan 8.280 nan 0.000 0.553 194 I N 4.736 125.062 120.570 -0.407 0.000 2.268 194 I HA 0.251 4.421 4.170 0.000 0.000 0.298 194 I C -0.475 175.551 176.117 -0.151 0.000 1.185 194 I CA 0.152 61.293 61.300 -0.265 0.000 1.548 194 I CB -0.364 37.401 38.000 -0.392 0.000 1.492 194 I HN 0.165 nan 8.210 nan 0.000 0.711 195 R N 4.400 124.836 120.500 -0.106 0.000 2.808 195 R HA 0.396 4.736 4.340 0.000 0.000 0.272 195 R C -2.018 174.177 176.300 -0.174 0.000 0.995 195 R CA -2.075 53.932 56.100 -0.155 0.000 0.917 195 R CB 0.778 30.997 30.300 -0.135 0.000 1.217 195 R HN -0.068 nan 8.270 nan 0.000 0.471 196 P HA -0.137 nan 4.420 nan 0.000 0.216 196 P C -0.120 177.094 177.300 -0.143 0.000 1.153 196 P CA 1.244 64.146 63.100 -0.330 0.000 0.858 196 P CB 0.306 31.384 31.700 -1.037 0.000 0.789 197 N N -3.744 114.867 118.700 -0.147 0.000 2.961 197 N HA -0.127 4.613 4.740 0.000 0.000 0.223 197 N C 0.092 175.536 175.510 -0.110 0.000 0.866 197 N CA 1.880 54.873 53.050 -0.094 0.000 1.030 197 N CB -2.237 36.220 38.487 -0.049 0.000 1.037 197 N HN 0.368 nan 8.380 nan 0.000 0.608 198 T N -2.875 111.654 114.554 -0.043 0.000 2.899 198 T HA 0.450 4.800 4.350 0.000 0.000 0.284 198 T C 1.302 175.963 174.700 -0.065 0.000 1.004 198 T CA -0.457 61.634 62.100 -0.015 0.000 1.043 198 T CB 0.770 69.712 68.868 0.124 0.000 1.013 198 T HN 0.098 nan 8.240 nan 0.000 0.518 199 Y N -0.004 120.336 120.300 0.067 0.000 2.224 199 Y HA -0.066 4.484 4.550 -0.000 0.000 0.289 199 Y C 2.800 178.732 175.900 0.053 0.000 1.146 199 Y CA 1.654 59.783 58.100 0.048 0.000 1.182 199 Y CB -0.295 38.186 38.460 0.035 0.000 0.983 199 Y HN 0.890 nan 8.280 nan 0.000 0.524 200 E N -0.328 120.012 120.200 0.233 0.000 2.085 200 E HA -0.319 4.031 4.350 0.000 0.000 0.194 200 E C 1.979 178.672 176.600 0.156 0.000 0.994 200 E CA 1.576 58.093 56.400 0.195 0.000 0.801 200 E CB -0.474 29.358 29.700 0.221 0.000 0.743 200 E HN 0.594 nan 8.360 nan 0.000 0.453 201 Y N 0.563 120.853 120.300 -0.016 0.000 2.242 201 Y HA -0.050 4.500 4.550 -0.000 0.000 0.291 201 Y C 2.089 177.911 175.900 -0.130 0.000 1.137 201 Y CA 1.404 59.359 58.100 -0.241 0.000 1.181 201 Y CB -0.528 37.603 38.460 -0.548 0.000 0.989 201 Y HN 0.165 nan 8.280 nan 0.000 0.527 202 A N 0.222 122.949 122.820 -0.155 0.000 1.908 202 A HA -0.219 4.101 4.320 0.000 0.000 0.218 202 A C 1.942 179.470 177.584 -0.094 0.000 1.181 202 A CA 2.157 54.091 52.037 -0.171 0.000 0.627 202 A CB -0.877 18.112 19.000 -0.018 0.000 0.818 202 A HN 0.511 nan 8.150 nan 0.000 0.445 203 D N -1.855 118.540 120.400 -0.008 0.000 2.117 203 D HA -0.142 4.498 4.640 0.000 0.000 0.197 203 D C 1.699 178.004 176.300 0.008 0.000 0.987 203 D CA 1.547 55.572 54.000 0.042 0.000 0.829 203 D CB -0.484 40.350 40.800 0.056 0.000 0.961 203 D HN 0.595 nan 8.370 nan 0.000 0.460 204 Y N 1.614 121.791 120.300 -0.205 0.000 2.128 204 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 204 Y C 2.215 177.963 175.900 -0.254 0.000 1.154 204 Y CA 1.851 59.814 58.100 -0.229 0.000 1.149 204 Y CB -0.506 37.851 38.460 -0.171 0.000 0.976 204 Y HN -0.051 nan 8.280 nan 0.000 0.505 205 A N -0.471 122.054 122.820 -0.491 0.000 1.902 205 A HA -0.240 4.080 4.320 0.000 0.000 0.217 205 A C 2.201 179.742 177.584 -0.071 0.000 1.181 205 A CA 1.692 53.466 52.037 -0.439 0.000 0.623 205 A CB -1.664 16.840 19.000 -0.828 0.000 0.818 205 A HN 0.741 nan 8.150 nan 0.000 0.443 206 Y N 0.828 121.129 120.300 0.003 0.000 2.145 206 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 206 Y C 2.211 178.057 175.900 -0.090 0.000 1.145 206 Y CA 2.300 60.471 58.100 0.118 0.000 1.148 206 Y CB -0.215 38.301 38.460 0.093 0.000 0.981 206 Y HN 0.231 nan 8.280 nan 0.000 0.507 207 K N -0.108 120.148 120.400 -0.239 0.000 2.097 207 K HA -0.206 4.114 4.320 0.000 0.000 0.206 207 K C 2.121 178.530 176.600 -0.317 0.000 1.049 207 K CA 1.791 57.811 56.287 -0.445 0.000 0.933 207 K CB -0.198 31.835 32.500 -0.779 0.000 0.717 207 K HN 0.552 nan 8.250 nan 0.000 0.442 208 Q N 0.252 119.876 119.800 -0.295 0.000 2.083 208 Q HA -0.077 4.263 4.340 0.000 0.000 0.198 208 Q C 2.191 178.080 176.000 -0.186 0.000 0.969 208 Q CA 0.999 56.760 55.803 -0.069 0.000 0.838 208 Q CB 0.109 28.776 28.738 -0.117 0.000 0.900 208 Q HN 0.100 nan 8.270 nan 0.000 0.436 209 V N 0.869 120.564 119.914 -0.365 0.000 2.427 209 V HA -0.231 3.889 4.120 0.000 0.000 0.248 209 V C 2.244 178.194 176.094 -0.241 0.000 1.051 209 V CA 1.178 63.289 62.300 -0.316 0.000 1.048 209 V CB -0.371 31.347 31.823 -0.175 0.000 0.666 209 V HN 0.407 nan 8.190 nan 0.000 0.456 210 M N -0.457 118.951 119.600 -0.319 0.000 2.159 210 M HA -0.175 4.305 4.480 0.000 0.000 0.263 210 M C 2.177 178.411 176.300 -0.110 0.000 1.063 210 M CA 1.607 56.726 55.300 -0.302 0.000 1.110 210 M CB -0.963 31.300 32.600 -0.562 0.000 1.374 210 M HN 0.477 nan 8.290 nan 0.000 0.411 211 E N 0.423 120.596 120.200 -0.045 0.000 2.106 211 E HA -0.136 4.214 4.350 0.000 0.000 0.192 211 E C 2.116 178.672 176.600 -0.073 0.000 0.984 211 E CA 0.725 57.158 56.400 0.056 0.000 0.806 211 E CB 0.085 29.967 29.700 0.303 0.000 0.750 211 E HN 0.447 nan 8.360 nan 0.000 0.458 212 L N 0.199 121.331 121.223 -0.152 0.000 2.083 212 L HA -0.165 4.175 4.340 0.000 0.000 0.209 212 L C 2.456 179.302 176.870 -0.040 0.000 1.083 212 L CA 0.574 55.310 54.840 -0.173 0.000 0.752 212 L CB -0.269 41.648 42.059 -0.236 0.000 0.899 212 L HN 0.094 nan 8.230 nan 0.000 0.433 213 V N -0.388 119.508 119.914 -0.030 0.000 2.307 213 V HA -0.263 3.857 4.120 0.000 0.000 0.245 213 V C 2.087 178.224 176.094 0.072 0.000 1.045 213 V CA 1.850 64.193 62.300 0.072 0.000 1.024 213 V CB -0.415 31.494 31.823 0.143 0.000 0.651 213 V HN 0.399 nan 8.190 nan 0.000 0.449 214 D N -0.268 120.160 120.400 0.047 0.000 2.144 214 D HA -0.095 4.545 4.640 0.000 0.000 0.200 214 D C 1.930 178.173 176.300 -0.095 0.000 0.978 214 D CA 0.992 55.009 54.000 0.028 0.000 0.833 214 D CB -0.058 40.774 40.800 0.053 0.000 0.961 214 D HN 0.199 nan 8.370 nan 0.000 0.470 215 L N -0.919 120.143 121.223 -0.268 0.000 2.127 215 L HA -0.041 4.299 4.340 0.000 0.000 0.203 215 L C 1.474 178.001 176.870 -0.571 0.000 1.080 215 L CA 1.514 56.002 54.840 -0.586 0.000 0.768 215 L CB -0.721 40.616 42.059 -1.204 0.000 0.924 215 L HN 0.174 nan 8.230 nan 0.000 0.444 216 Y N -2.576 117.732 120.300 0.014 0.000 2.471 216 Y HA 0.343 4.893 4.550 0.000 0.000 0.249 216 Y C 0.675 176.603 175.900 0.046 0.000 1.116 216 Y CA -0.856 57.266 58.100 0.036 0.000 1.240 216 Y CB 0.433 38.951 38.460 0.097 0.000 1.251 216 Y HN -0.255 nan 8.280 nan 0.000 0.527 217 L N 1.751 123.040 121.223 0.110 0.000 3.965 217 L HA -0.227 4.113 4.340 0.000 0.000 0.476 217 L C -2.613 174.266 176.870 0.015 0.000 1.201 217 L CA -0.593 54.244 54.840 -0.004 0.000 0.710 217 L CB -1.284 40.648 42.059 -0.212 0.000 1.509 217 L HN 0.032 nan 8.230 nan 0.000 0.815 218 P HA 0.047 nan 4.420 nan 0.000 0.272 218 P C 0.399 178.005 177.300 0.511 0.000 1.230 218 P CA -0.123 63.194 63.100 0.362 0.000 0.788 218 P CB 0.570 32.444 31.700 0.290 0.000 0.949 219 D N -0.414 120.283 120.400 0.494 0.000 2.333 219 D HA 0.058 4.699 4.640 0.000 0.000 0.208 219 D C 0.135 176.852 176.300 0.695 0.000 0.984 219 D CA 0.943 55.313 54.000 0.617 0.000 0.873 219 D CB 0.382 41.361 40.800 0.298 0.000 0.935 219 D HN 0.084 nan 8.370 nan 0.000 0.521 220 V N 1.462 121.710 119.914 0.557 0.000 2.760 220 V HA 0.257 4.377 4.120 0.000 0.000 0.309 220 V C -0.861 175.475 176.094 0.404 0.000 1.077 220 V CA -0.854 61.757 62.300 0.518 0.000 0.910 220 V CB 2.829 34.983 31.823 0.551 0.000 1.008 220 V HN -0.173 nan 8.190 nan 0.000 0.424 221 L N 3.787 125.217 121.223 0.345 0.000 2.277 221 L HA 0.461 4.801 4.340 0.000 0.000 0.284 221 L C -0.976 176.153 176.870 0.432 0.000 1.028 221 L CA -0.093 54.926 54.840 0.298 0.000 0.835 221 L CB 0.938 43.060 42.059 0.104 0.000 1.215 221 L HN 0.817 nan 8.230 nan 0.000 0.425 222 W N 4.887 126.312 121.300 0.207 0.000 2.351 222 W HA 0.353 5.013 4.660 0.001 0.000 0.320 222 W C 0.440 176.863 176.519 -0.161 0.000 0.947 222 W CA -0.520 56.908 57.345 0.138 0.000 1.565 222 W CB 0.749 30.393 29.460 0.307 0.000 1.409 222 W HN 0.489 nan 8.180 nan 0.000 0.399 223 N N 2.688 121.100 118.700 -0.479 0.000 2.513 223 N HA 0.139 4.879 4.740 0.000 0.000 0.274 223 N C -1.049 174.157 175.510 -0.507 0.000 1.189 223 N CA 0.484 53.084 53.050 -0.751 0.000 0.975 223 N CB 0.929 38.342 38.487 -1.791 0.000 1.157 223 N HN 0.265 nan 8.380 nan 0.000 0.465 224 D N 1.413 121.598 120.400 -0.359 0.000 2.671 224 D HA 0.387 5.027 4.640 0.000 0.000 0.232 224 D C -0.295 175.952 176.300 -0.088 0.000 1.114 224 D CA -0.142 53.800 54.000 -0.096 0.000 0.858 224 D CB 0.753 41.629 40.800 0.127 0.000 1.544 224 D HN 0.458 nan 8.370 nan 0.000 0.471 225 M N 1.044 120.638 119.600 -0.010 0.000 2.879 225 M HA -0.099 4.381 4.480 0.000 0.000 0.210 225 M C 0.565 176.846 176.300 -0.033 0.000 0.550 225 M CA 1.131 56.416 55.300 -0.025 0.000 0.732 225 M CB -2.501 30.016 32.600 -0.138 0.000 2.662 225 M HN 0.878 nan 8.290 nan 0.000 0.516 226 G N -0.484 108.307 108.800 -0.014 0.000 2.782 226 G HA2 -0.182 3.778 3.960 0.000 0.000 0.228 226 G HA3 -0.182 3.778 3.960 0.000 0.000 0.228 226 G C -0.790 174.213 174.900 0.172 0.000 1.372 226 G CA -0.135 45.007 45.100 0.069 0.000 0.862 226 G HN 0.719 nan 8.290 nan 0.000 0.547 227 W N 1.320 122.649 121.300 0.049 0.000 2.736 227 W HA 0.552 5.212 4.660 -0.000 0.000 0.335 227 W C -1.985 174.598 176.519 0.106 0.000 1.059 227 W CA -1.779 55.636 57.345 0.116 0.000 1.226 227 W CB 2.176 31.778 29.460 0.237 0.000 1.416 227 W HN 0.616 nan 8.180 nan 0.000 0.505 228 P HA -0.092 nan 4.420 nan 0.000 0.262 228 P C 0.416 177.741 177.300 0.042 0.000 1.182 228 P CA 0.702 63.732 63.100 -0.116 0.000 0.761 228 P CB 0.984 32.581 31.700 -0.171 0.000 0.795 229 E N 3.255 123.481 120.200 0.044 0.000 2.097 229 E HA -0.226 4.124 4.350 0.000 0.000 0.196 229 E C 1.479 178.128 176.600 0.082 0.000 1.000 229 E CA 1.828 58.273 56.400 0.076 0.000 0.804 229 E CB -0.301 29.417 29.700 0.031 0.000 0.740 229 E HN 0.432 nan 8.360 nan 0.000 0.454 230 K N -1.529 118.877 120.400 0.010 0.000 2.362 230 K HA 0.008 4.328 4.320 0.000 0.000 0.200 230 K C 1.674 178.341 176.600 0.111 0.000 1.046 230 K CA 0.948 57.242 56.287 0.012 0.000 0.952 230 K CB 0.097 32.478 32.500 -0.198 0.000 0.753 230 K HN 0.174 nan 8.250 nan 0.000 0.466 231 G N 0.469 109.367 108.800 0.164 0.000 3.126 231 G HA2 -0.033 3.927 3.960 0.000 0.000 0.224 231 G HA3 -0.033 3.927 3.960 0.000 0.000 0.224 231 G C 0.950 176.129 174.900 0.465 0.000 1.142 231 G CA -0.254 45.035 45.100 0.314 0.000 0.759 231 G HN 0.092 nan 8.290 nan 0.000 0.550 232 K N 0.470 121.102 120.400 0.386 0.000 2.147 232 K HA -0.047 4.273 4.320 0.000 0.000 0.205 232 K C 2.057 178.749 176.600 0.152 0.000 1.049 232 K CA 0.892 57.361 56.287 0.304 0.000 0.936 232 K CB 0.122 32.775 32.500 0.254 0.000 0.722 232 K HN 0.063 nan 8.250 nan 0.000 0.446 233 E N 1.035 121.313 120.200 0.132 0.000 2.268 233 E HA -0.143 4.207 4.350 0.000 0.000 0.195 233 E C 1.303 177.898 176.600 -0.009 0.000 0.995 233 E CA 0.894 57.324 56.400 0.051 0.000 0.836 233 E CB -0.126 29.621 29.700 0.078 0.000 0.763 233 E HN 0.294 nan 8.360 nan 0.000 0.491 234 D N 0.566 120.992 120.400 0.044 0.000 2.221 234 D HA -0.137 4.503 4.640 0.000 0.000 0.204 234 D C 2.025 178.263 176.300 -0.104 0.000 0.982 234 D CA 0.507 54.520 54.000 0.022 0.000 0.857 234 D CB -0.209 40.544 40.800 -0.077 0.000 0.934 234 D HN 0.234 nan 8.370 nan 0.000 0.475 235 L N 0.891 121.921 121.223 -0.323 0.000 2.201 235 L HA -0.143 4.197 4.340 0.000 0.000 0.212 235 L C 2.436 178.743 176.870 -0.937 0.000 1.105 235 L CA 0.980 55.347 54.840 -0.789 0.000 0.775 235 L CB -0.404 41.064 42.059 -0.985 0.000 0.913 235 L HN 0.151 nan 8.230 nan 0.000 0.440 236 K N -0.288 119.608 120.400 -0.840 0.000 2.148 236 K HA -0.188 4.132 4.320 0.000 0.000 0.204 236 K C 1.857 178.033 176.600 -0.708 0.000 1.050 236 K CA 1.461 57.103 56.287 -1.076 0.000 0.942 236 K CB -0.509 31.056 32.500 -1.559 0.000 0.724 236 K HN 0.251 nan 8.250 nan 0.000 0.446 237 Y N 1.413 121.522 120.300 -0.318 0.000 2.220 237 Y HA -0.080 4.470 4.550 0.000 0.000 0.291 237 Y C 2.492 178.356 175.900 -0.060 0.000 1.129 237 Y CA 0.358 58.371 58.100 -0.145 0.000 1.161 237 Y CB -0.193 38.203 38.460 -0.107 0.000 0.997 237 Y HN -0.010 nan 8.280 nan 0.000 0.522 238 L N -0.161 121.074 121.223 0.020 0.000 2.046 238 L HA -0.219 4.121 4.340 0.000 0.000 0.208 238 L C 1.946 178.864 176.870 0.080 0.000 1.077 238 L CA 2.019 56.862 54.840 0.005 0.000 0.747 238 L CB -0.878 41.093 42.059 -0.147 0.000 0.896 238 L HN 0.329 nan 8.230 nan 0.000 0.432 239 F N 0.062 119.843 119.950 -0.281 0.000 2.163 239 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 239 F C 2.666 178.219 175.800 -0.413 0.000 1.094 239 F CA 0.490 58.191 58.000 -0.498 0.000 1.290 239 F CB -0.251 38.424 39.000 -0.542 0.000 1.017 239 F HN 0.219 nan 8.300 nan 0.000 0.483 240 A N -0.150 122.686 122.820 0.026 0.000 1.902 240 A HA -0.281 4.039 4.320 0.000 0.000 0.217 240 A C 1.888 179.586 177.584 0.189 0.000 1.181 240 A CA 1.482 53.590 52.037 0.117 0.000 0.623 240 A CB -1.404 17.654 19.000 0.097 0.000 0.818 240 A HN 0.530 nan 8.150 nan 0.000 0.443 241 Y N -1.284 119.061 120.300 0.075 0.000 2.145 241 Y HA -0.294 4.256 4.550 -0.000 0.000 0.286 241 Y C 2.243 178.220 175.900 0.129 0.000 1.145 241 Y CA 2.104 60.263 58.100 0.098 0.000 1.148 241 Y CB -0.624 37.887 38.460 0.085 0.000 0.981 241 Y HN 0.457 nan 8.280 nan 0.000 0.507 242 Y N -0.892 119.464 120.300 0.093 0.000 2.097 242 Y HA -0.388 4.162 4.550 -0.000 0.000 0.282 242 Y C 2.070 177.975 175.900 0.009 0.000 1.152 242 Y CA 1.881 59.972 58.100 -0.016 0.000 1.136 242 Y CB -0.667 37.700 38.460 -0.155 0.000 0.975 242 Y HN 0.146 nan 8.280 nan 0.000 0.498 243 Y N 0.768 120.949 120.300 -0.199 0.000 2.224 243 Y HA -0.220 4.330 4.550 -0.000 0.000 0.289 243 Y C 2.298 178.165 175.900 -0.055 0.000 1.146 243 Y CA 1.176 59.061 58.100 -0.358 0.000 1.182 243 Y CB -0.924 37.203 38.460 -0.554 0.000 0.983 243 Y HN 0.299 nan 8.280 nan 0.000 0.524 244 N N 0.026 118.838 118.700 0.187 0.000 2.270 244 N HA -0.098 4.642 4.740 0.000 0.000 0.181 244 N C 1.618 177.142 175.510 0.022 0.000 1.016 244 N CA 1.021 54.149 53.050 0.130 0.000 0.870 244 N CB -0.171 38.376 38.487 0.099 0.000 0.979 244 N HN 0.354 nan 8.380 nan 0.000 0.431 245 K N -0.848 119.520 120.400 -0.053 0.000 2.228 245 K HA -0.042 4.278 4.320 0.000 0.000 0.202 245 K C 0.098 176.746 176.600 0.079 0.000 1.051 245 K CA 0.739 56.996 56.287 -0.051 0.000 0.960 245 K CB 0.121 32.528 32.500 -0.155 0.000 0.743 245 K HN 0.155 nan 8.250 nan 0.000 0.458 246 H N -0.623 118.397 119.070 -0.082 0.000 2.643 246 H HA 0.176 4.732 4.556 0.000 0.000 0.229 246 H C -2.528 172.746 175.328 -0.091 0.000 1.410 246 H CA -1.948 54.051 56.048 -0.083 0.000 1.458 246 H CB 0.871 30.579 29.762 -0.090 0.000 1.792 246 H HN -0.128 nan 8.280 nan 0.000 0.563 247 P HA -0.156 nan 4.420 nan 0.000 0.217 247 P C 0.848 178.143 177.300 -0.008 0.000 1.148 247 P CA 1.247 64.350 63.100 0.004 0.000 0.828 247 P CB 0.437 32.183 31.700 0.077 0.000 0.783 248 E N -0.443 119.631 120.200 -0.210 0.000 2.511 248 E HA 0.081 4.431 4.350 0.000 0.000 0.196 248 E C 1.293 177.972 176.600 0.132 0.000 1.066 248 E CA -0.186 56.212 56.400 -0.004 0.000 0.871 248 E CB -0.264 29.426 29.700 -0.017 0.000 0.863 248 E HN 0.217 nan 8.360 nan 0.000 0.520 249 G N 1.354 110.057 108.800 -0.162 0.000 2.664 249 G HA2 0.184 4.144 3.960 0.000 0.000 0.242 249 G HA3 0.184 4.144 3.960 0.000 0.000 0.242 249 G C -0.090 175.028 174.900 0.364 0.000 1.225 249 G CA -0.032 45.155 45.100 0.145 0.000 0.849 249 G HN 0.162 nan 8.290 nan 0.000 0.581 250 S N -1.862 114.157 115.700 0.531 0.000 2.570 250 S HA 0.683 5.153 4.470 0.000 0.000 0.270 250 S C -1.361 173.437 174.600 0.330 0.000 1.149 250 S CA -0.815 57.626 58.200 0.401 0.000 0.837 250 S CB 2.242 65.544 63.200 0.170 0.000 1.124 250 S HN 0.849 nan 8.310 nan 0.000 0.465 251 V N 2.917 122.873 119.914 0.071 0.000 2.686 251 V HA 0.502 4.622 4.120 0.000 0.000 0.306 251 V C -0.345 175.453 176.094 -0.494 0.000 1.065 251 V CA -0.772 61.431 62.300 -0.162 0.000 0.894 251 V CB 1.963 33.418 31.823 -0.613 0.000 1.004 251 V HN 1.119 nan 8.190 nan 0.000 0.424 252 N N 3.449 121.830 118.700 -0.530 0.000 2.332 252 N HA 0.154 4.894 4.740 0.000 0.000 0.282 252 N C 0.097 175.403 175.510 -0.341 0.000 1.288 252 N CA 0.039 52.453 53.050 -1.059 0.000 0.949 252 N CB 0.360 38.142 38.487 -1.174 0.000 1.108 252 N HN 0.699 nan 8.380 nan 0.000 0.542 253 D N -2.454 117.697 120.400 -0.416 0.000 2.593 253 D HA 0.116 4.756 4.640 0.000 0.000 0.241 253 D C -0.187 176.027 176.300 -0.143 0.000 1.257 253 D CA -0.235 53.628 54.000 -0.228 0.000 0.828 253 D CB -0.239 40.161 40.800 -0.668 0.000 1.049 253 D HN 0.496 nan 8.370 nan 0.000 0.490 254 R N 0.104 120.472 120.500 -0.221 0.000 2.791 254 R HA 0.241 4.581 4.340 0.000 0.000 0.357 254 R C -0.164 176.011 176.300 -0.207 0.000 1.173 254 R CA -0.274 55.676 56.100 -0.250 0.000 1.060 254 R CB -0.058 30.008 30.300 -0.391 0.000 1.406 254 R HN 0.153 nan 8.270 nan 0.000 0.580 255 W N -0.511 120.791 121.300 0.004 0.000 2.915 255 W HA 0.282 4.942 4.660 -0.000 0.000 0.276 255 W C 1.279 177.862 176.519 0.107 0.000 1.215 255 W CA 0.354 57.760 57.345 0.101 0.000 1.514 255 W CB 0.532 30.027 29.460 0.059 0.000 1.017 255 W HN 0.290 nan 8.180 nan 0.000 0.598 256 G N 1.181 110.136 108.800 0.258 0.000 2.149 256 G HA2 -0.090 3.870 3.960 0.000 0.000 0.235 256 G HA3 -0.090 3.870 3.960 0.000 0.000 0.235 256 G C -0.264 174.679 174.900 0.072 0.000 1.018 256 G CA 0.044 45.231 45.100 0.146 0.000 0.728 256 G HN 0.514 nan 8.290 nan 0.000 0.508 257 V N -4.469 115.453 119.914 0.013 0.000 3.141 257 V HA 0.873 4.993 4.120 0.000 0.000 0.312 257 V C -0.864 174.995 176.094 -0.392 0.000 1.157 257 V CA -1.407 60.736 62.300 -0.260 0.000 1.041 257 V CB 1.315 32.907 31.823 -0.385 0.000 1.071 257 V HN -0.056 nan 8.190 nan 0.000 0.441 258 P HA -0.071 nan 4.420 nan 0.000 0.219 258 P C 0.079 177.127 177.300 -0.421 0.000 1.146 258 P CA 1.534 64.273 63.100 -0.602 0.000 0.808 258 P CB -0.181 30.994 31.700 -0.874 0.000 0.779 259 H N -0.020 118.759 119.070 -0.484 0.000 2.488 259 H HA 0.372 4.928 4.556 -0.000 0.000 0.322 259 H C -0.744 174.542 175.328 -0.071 0.000 1.078 259 H CA -0.856 55.065 56.048 -0.211 0.000 1.260 259 H CB 0.382 30.242 29.762 0.165 0.000 1.425 259 H HN 0.041 nan 8.280 nan 0.000 0.471 260 W N 4.191 125.016 121.300 -0.791 0.000 3.118 260 W HA 0.310 4.970 4.660 -0.000 0.000 0.328 260 W C -1.030 175.092 176.519 -0.662 0.000 1.239 260 W CA -0.757 56.164 57.345 -0.706 0.000 1.176 260 W CB 1.006 30.229 29.460 -0.396 0.000 1.433 260 W HN 0.428 nan 8.180 nan 0.000 0.562 261 D N 0.905 121.239 120.400 -0.111 0.000 2.324 261 D HA 0.097 4.737 4.640 0.000 0.000 0.212 261 D C 0.099 176.673 176.300 0.457 0.000 0.984 261 D CA 1.204 55.257 54.000 0.089 0.000 0.885 261 D CB 0.658 41.526 40.800 0.112 0.000 0.996 261 D HN 0.264 nan 8.370 nan 0.000 0.505 262 F N -0.759 119.380 119.950 0.315 0.000 2.631 262 F HA 0.515 5.042 4.527 0.000 0.000 0.308 262 F C -0.500 175.271 175.800 -0.048 0.000 1.097 262 F CA -1.389 56.773 58.000 0.270 0.000 0.952 262 F CB 1.300 40.386 39.000 0.143 0.000 1.307 262 F HN -0.526 nan 8.300 nan 0.000 0.450 263 K N 0.982 121.345 120.400 -0.060 0.000 2.090 263 K HA 0.641 4.961 4.320 0.000 0.000 0.250 263 K C -0.449 176.294 176.600 0.238 0.000 1.004 263 K CA -0.567 55.564 56.287 -0.260 0.000 0.919 263 K CB 1.768 34.049 32.500 -0.364 0.000 1.045 263 K HN 0.907 nan 8.250 nan 0.000 0.471 264 T N -2.193 112.438 114.554 0.128 0.000 2.908 264 T HA 0.776 5.126 4.350 0.000 0.000 0.290 264 T C -0.905 174.005 174.700 0.349 0.000 1.034 264 T CA -1.036 61.264 62.100 0.334 0.000 1.010 264 T CB 1.910 70.889 68.868 0.186 0.000 1.068 264 T HN 0.590 nan 8.240 nan 0.000 0.481 265 A N 1.545 124.666 122.820 0.502 0.000 2.520 265 A HA 0.769 5.089 4.320 0.000 0.000 0.298 265 A C -0.687 177.173 177.584 0.460 0.000 1.051 265 A CA -0.962 51.356 52.037 0.468 0.000 0.690 265 A CB 1.444 20.778 19.000 0.557 0.000 1.281 265 A HN 0.889 nan 8.150 nan 0.000 0.402 276 P HA 0.289 nan 4.420 nan 0.000 0.276 276 P C 0.779 178.007 177.300 -0.120 0.000 1.230 276 P CA -0.330 62.623 63.100 -0.245 0.000 0.776 276 P CB 1.178 32.374 31.700 -0.840 0.000 0.888 277 G N 0.985 109.814 108.800 0.048 0.000 2.650 277 G HA2 0.001 3.961 3.960 0.000 0.000 0.214 277 G HA3 0.001 3.961 3.960 0.000 0.000 0.214 277 G C 0.149 175.166 174.900 0.196 0.000 1.136 277 G CA 0.176 45.348 45.100 0.121 0.000 0.789 277 G HN 0.659 nan 8.290 nan 0.000 0.536 278 Y N -1.287 119.145 120.300 0.220 0.000 2.534 278 Y HA 0.804 5.354 4.550 0.000 0.000 0.329 278 Y C 0.094 176.236 175.900 0.404 0.000 1.154 278 Y CA -2.366 55.923 58.100 0.315 0.000 1.192 278 Y CB 1.084 39.805 38.460 0.435 0.000 1.275 278 Y HN -0.205 nan 8.280 nan 0.000 0.491 279 K N 3.274 124.023 120.400 0.581 0.000 2.249 279 K HA 0.304 4.624 4.320 0.000 0.000 0.280 279 K C -1.110 175.917 176.600 0.712 0.000 1.033 279 K CA -0.452 56.139 56.287 0.506 0.000 0.946 279 K CB 0.300 33.056 32.500 0.426 0.000 1.005 279 K HN 0.840 nan 8.250 nan 0.000 0.469 280 W N 1.826 123.317 121.300 0.319 0.000 2.961 280 W HA 0.570 5.230 4.660 0.000 0.000 0.368 280 W C -1.511 175.215 176.519 0.345 0.000 1.213 280 W CA -0.755 56.802 57.345 0.354 0.000 1.173 280 W CB 0.771 30.371 29.460 0.233 0.000 1.487 280 W HN 0.612 nan 8.180 nan 0.000 0.585 281 E N 1.278 121.732 120.200 0.422 0.000 2.287 281 E HA 0.359 4.709 4.350 0.000 0.000 0.274 281 E C -2.271 174.599 176.600 0.450 0.000 0.896 281 E CA -0.608 55.922 56.400 0.218 0.000 0.788 281 E CB 2.458 32.429 29.700 0.451 0.000 1.244 281 E HN 0.292 nan 8.360 nan 0.000 0.408 282 F N 3.201 123.203 119.950 0.087 0.000 2.404 282 F HA 0.467 4.994 4.527 -0.000 0.000 0.345 282 F C -0.294 175.663 175.800 0.262 0.000 1.110 282 F CA 0.009 58.186 58.000 0.295 0.000 1.130 282 F CB 1.717 40.852 39.000 0.226 0.000 1.129 282 F HN 0.279 nan 8.300 nan 0.000 0.500 283 T N 6.714 121.097 114.554 -0.285 0.000 2.876 283 T HA 0.787 5.137 4.350 0.000 0.000 0.289 283 T C -1.101 173.376 174.700 -0.371 0.000 1.014 283 T CA -0.595 61.416 62.100 -0.149 0.000 0.986 283 T CB 0.841 69.866 68.868 0.261 0.000 1.021 283 T HN 0.967 nan 8.240 nan 0.000 0.458 284 R N 1.606 121.989 120.500 -0.194 0.000 2.728 284 R HA 0.688 5.028 4.340 0.000 0.000 0.274 284 R C -0.309 175.765 176.300 -0.377 0.000 1.032 284 R CA -1.242 54.692 56.100 -0.276 0.000 0.866 284 R CB 0.360 30.488 30.300 -0.286 0.000 1.263 284 R HN 0.761 nan 8.270 nan 0.000 0.475 285 G N 0.447 108.799 108.800 -0.746 0.000 2.504 285 G HA2 0.346 4.306 3.960 0.000 0.000 0.288 285 G HA3 0.346 4.306 3.960 0.000 0.000 0.288 285 G C 0.787 175.505 174.900 -0.304 0.000 1.182 285 G CA -1.097 43.643 45.100 -0.601 0.000 0.894 285 G HN 0.575 nan 8.290 nan 0.000 0.521 286 I N 0.676 121.120 120.570 -0.209 0.000 2.286 286 I HA -0.068 4.102 4.170 0.000 0.000 0.248 286 I C 1.970 178.005 176.117 -0.136 0.000 1.115 286 I CA 1.346 62.568 61.300 -0.130 0.000 1.392 286 I CB -0.374 37.574 38.000 -0.088 0.000 1.065 286 I HN 0.526 nan 8.210 nan 0.000 0.418 287 G N -0.292 108.402 108.800 -0.177 0.000 2.940 287 G HA2 0.336 4.296 3.960 0.000 0.000 0.164 287 G HA3 0.336 4.296 3.960 0.000 0.000 0.164 287 G C 0.323 175.086 174.900 -0.228 0.000 1.326 287 G CA -0.321 44.680 45.100 -0.165 0.000 1.020 287 G HN -0.003 nan 8.290 nan 0.000 0.586 288 L N -0.124 120.979 121.223 -0.201 0.000 2.185 288 L HA 0.359 4.699 4.340 0.000 0.000 0.198 288 L C 1.705 178.369 176.870 -0.343 0.000 1.079 288 L CA 1.024 55.756 54.840 -0.180 0.000 0.780 288 L CB -0.610 41.413 42.059 -0.060 0.000 0.955 288 L HN 0.403 nan 8.230 nan 0.000 0.462 289 S N -0.975 114.550 115.700 -0.290 0.000 2.549 289 S HA 0.056 4.526 4.470 0.000 0.000 0.283 289 S C 1.087 175.398 174.600 -0.481 0.000 1.320 289 S CA -0.248 57.751 58.200 -0.337 0.000 1.058 289 S CB 0.082 63.173 63.200 -0.182 0.000 0.882 289 S HN 0.227 nan 8.310 nan 0.000 0.498 290 F N 3.356 122.940 119.950 -0.610 0.000 2.149 290 F HA 0.218 4.745 4.527 0.000 0.000 0.294 290 F C 1.997 177.601 175.800 -0.327 0.000 1.095 290 F CA 0.907 58.544 58.000 -0.606 0.000 1.276 290 F CB -0.873 37.454 39.000 -1.121 0.000 1.023 290 F HN 0.685 nan 8.300 nan 0.000 0.480 291 G N -1.560 107.210 108.800 -0.049 0.000 2.539 291 G HA2 0.113 4.073 3.960 0.000 0.000 0.258 291 G HA3 0.113 4.073 3.960 0.000 0.000 0.258 291 G C -1.299 173.686 174.900 0.141 0.000 1.202 291 G CA -0.409 44.773 45.100 0.137 0.000 0.851 291 G HN 0.143 nan 8.290 nan 0.000 0.556 292 Y N 1.483 121.854 120.300 0.119 0.000 2.717 292 Y HA 0.194 4.744 4.550 0.000 0.000 0.330 292 Y C 0.038 175.972 175.900 0.057 0.000 1.217 292 Y CA -0.291 57.849 58.100 0.067 0.000 1.506 292 Y CB 0.561 39.079 38.460 0.096 0.000 1.268 292 Y HN 0.453 nan 8.280 nan 0.000 0.561 293 N N 5.026 123.334 118.700 -0.653 0.000 2.461 293 N HA 0.284 5.024 4.740 0.000 0.000 0.284 293 N C -0.113 174.919 175.510 -0.796 0.000 1.049 293 N CA -0.723 51.945 53.050 -0.636 0.000 0.889 293 N CB 1.068 39.333 38.487 -0.369 0.000 1.365 293 N HN 0.753 nan 8.380 nan 0.000 0.499 294 R N 1.469 121.547 120.500 -0.704 0.000 2.153 294 R HA 0.090 4.430 4.340 0.000 0.000 0.218 294 R C 0.542 176.718 176.300 -0.208 0.000 1.072 294 R CA 0.584 56.479 56.100 -0.341 0.000 0.990 294 R CB 0.000 30.276 30.300 -0.040 0.000 0.889 294 R HN 0.359 nan 8.270 nan 0.000 0.452 295 N N 1.496 119.996 118.700 -0.333 0.000 2.802 295 N HA 0.021 4.761 4.740 0.000 0.000 0.288 295 N C -0.994 174.315 175.510 -0.335 0.000 1.268 295 N CA 0.163 53.002 53.050 -0.351 0.000 1.035 295 N CB 0.176 38.218 38.487 -0.741 0.000 1.353 295 N HN 0.294 nan 8.380 nan 0.000 0.522 302 L N 2.617 123.801 121.223 -0.066 0.000 2.455 302 L HA 0.210 4.550 4.340 0.000 0.000 0.272 302 L C 1.226 178.044 176.870 -0.087 0.000 1.174 302 L CA 0.035 54.830 54.840 -0.075 0.000 0.869 302 L CB 0.665 42.677 42.059 -0.079 0.000 1.130 302 L HN 0.910 nan 8.230 nan 0.000 0.474 303 S N 2.364 118.004 115.700 -0.101 0.000 2.596 303 S HA 0.104 4.575 4.470 0.000 0.000 0.260 303 S C 1.209 175.716 174.600 -0.155 0.000 1.336 303 S CA -0.857 57.274 58.200 -0.114 0.000 0.993 303 S CB 1.279 64.405 63.200 -0.123 0.000 0.923 303 S HN 0.343 nan 8.310 nan 0.000 0.567 304 V N 1.295 121.120 119.914 -0.148 0.000 2.343 304 V HA -0.154 3.966 4.120 0.000 0.000 0.247 304 V C 2.827 178.737 176.094 -0.307 0.000 1.051 304 V CA 2.265 64.460 62.300 -0.175 0.000 1.036 304 V CB -1.240 30.518 31.823 -0.109 0.000 0.654 304 V HN 0.947 nan 8.190 nan 0.000 0.451 305 E N -0.312 119.671 120.200 -0.362 0.000 2.065 305 E HA -0.333 4.017 4.350 0.000 0.000 0.201 305 E C 2.351 178.428 176.600 -0.872 0.000 1.016 305 E CA 2.039 58.043 56.400 -0.661 0.000 0.818 305 E CB -0.125 29.231 29.700 -0.574 0.000 0.749 305 E HN 0.680 nan 8.360 nan 0.000 0.453 306 Q N -0.072 119.422 119.800 -0.510 0.000 2.119 306 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 306 Q C 2.372 178.214 176.000 -0.263 0.000 0.972 306 Q CA 0.802 56.407 55.803 -0.329 0.000 0.847 306 Q CB 0.019 28.659 28.738 -0.163 0.000 0.903 306 Q HN 0.314 nan 8.270 nan 0.000 0.433 307 L N -0.337 120.721 121.223 -0.276 0.000 2.056 307 L HA -0.170 4.170 4.340 0.000 0.000 0.207 307 L C 2.292 178.951 176.870 -0.351 0.000 1.078 307 L CA 0.700 55.392 54.840 -0.247 0.000 0.749 307 L CB -0.362 41.566 42.059 -0.217 0.000 0.901 307 L HN 0.096 nan 8.230 nan 0.000 0.433 308 V N -0.864 118.747 119.914 -0.504 0.000 2.295 308 V HA -0.342 3.778 4.120 0.000 0.000 0.246 308 V C 2.190 177.980 176.094 -0.505 0.000 1.049 308 V CA 1.865 63.723 62.300 -0.736 0.000 1.024 308 V CB -0.706 30.451 31.823 -1.109 0.000 0.648 308 V HN 0.376 nan 8.190 nan 0.000 0.447 309 Y N 0.319 120.356 120.300 -0.438 0.000 2.207 309 Y HA -0.265 4.286 4.550 0.000 0.000 0.287 309 Y C 2.850 178.596 175.900 -0.256 0.000 1.156 309 Y CA 1.210 59.118 58.100 -0.320 0.000 1.182 309 Y CB -0.515 37.810 38.460 -0.225 0.000 0.979 309 Y HN 0.274 nan 8.280 nan 0.000 0.521 310 T N 0.975 115.491 114.554 -0.064 0.000 2.737 310 T HA -0.193 4.157 4.350 0.000 0.000 0.265 310 T C 1.943 176.577 174.700 -0.111 0.000 1.038 310 T CA 0.961 63.018 62.100 -0.071 0.000 1.144 310 T CB -0.511 68.343 68.868 -0.023 0.000 0.866 310 T HN 0.291 nan 8.240 nan 0.000 0.434 311 L N 1.128 122.234 121.223 -0.194 0.000 1.989 311 L HA -0.135 4.206 4.340 0.000 0.000 0.211 311 L C 2.503 179.263 176.870 -0.183 0.000 1.071 311 L CA 1.588 56.292 54.840 -0.226 0.000 0.749 311 L CB -0.450 41.386 42.059 -0.372 0.000 0.890 311 L HN 0.146 nan 8.230 nan 0.000 0.431 312 V N 0.117 119.904 119.914 -0.212 0.000 2.295 312 V HA -0.333 3.787 4.120 0.000 0.000 0.246 312 V C 2.209 178.238 176.094 -0.109 0.000 1.049 312 V CA 2.185 64.394 62.300 -0.152 0.000 1.024 312 V CB -0.621 31.096 31.823 -0.178 0.000 0.648 312 V HN 0.571 nan 8.190 nan 0.000 0.447 313 D N -0.087 120.247 120.400 -0.111 0.000 2.104 313 D HA -0.175 4.465 4.640 0.000 0.000 0.194 313 D C 1.997 178.276 176.300 -0.035 0.000 0.994 313 D CA 1.676 55.627 54.000 -0.080 0.000 0.830 313 D CB -0.079 40.664 40.800 -0.096 0.000 0.959 313 D HN 0.197 nan 8.370 nan 0.000 0.452 314 V N -0.344 119.531 119.914 -0.065 0.000 2.358 314 V HA -0.175 3.945 4.120 0.000 0.000 0.246 314 V C 2.500 178.530 176.094 -0.107 0.000 1.047 314 V CA 1.175 63.429 62.300 -0.075 0.000 1.035 314 V CB -0.171 31.576 31.823 -0.127 0.000 0.658 314 V HN 0.189 nan 8.190 nan 0.000 0.452 315 V N 0.795 120.650 119.914 -0.099 0.000 2.427 315 V HA -0.184 3.936 4.120 0.000 0.000 0.248 315 V C 2.681 178.773 176.094 -0.003 0.000 1.051 315 V CA 2.067 64.317 62.300 -0.083 0.000 1.048 315 V CB -0.525 31.249 31.823 -0.083 0.000 0.666 315 V HN 0.774 nan 8.190 nan 0.000 0.456 316 S N 0.124 115.839 115.700 0.026 0.000 2.442 316 S HA -0.177 4.293 4.470 0.000 0.000 0.236 316 S C 1.639 176.318 174.600 0.133 0.000 1.007 316 S CA 1.175 59.429 58.200 0.089 0.000 0.965 316 S CB -0.362 62.879 63.200 0.068 0.000 0.773 316 S HN 0.656 nan 8.310 nan 0.000 0.504 317 K N 0.512 121.008 120.400 0.160 0.000 2.410 317 K HA 0.373 4.693 4.320 0.000 0.000 0.200 317 K C 1.043 177.874 176.600 0.385 0.000 1.023 317 K CA 0.327 56.771 56.287 0.261 0.000 1.149 317 K CB 0.286 33.001 32.500 0.358 0.000 0.859 317 K HN 0.493 nan 8.250 nan 0.000 0.514 318 G N 0.689 109.606 108.800 0.195 0.000 2.157 318 G HA2 -0.214 3.746 3.960 0.000 0.000 0.239 318 G HA3 -0.214 3.746 3.960 0.000 0.000 0.239 318 G C 0.304 175.094 174.900 -0.184 0.000 0.982 318 G CA -0.301 44.873 45.100 0.122 0.000 0.650 318 G HN 0.476 nan 8.290 nan 0.000 0.527 319 G N -0.587 107.888 108.800 -0.542 0.000 2.462 319 G HA2 0.567 4.527 3.960 0.000 0.000 0.319 319 G HA3 0.567 4.527 3.960 0.000 0.000 0.319 319 G C -0.415 174.140 174.900 -0.576 0.000 1.171 319 G CA -0.555 43.836 45.100 -1.181 0.000 0.920 319 G HN 0.219 nan 8.290 nan 0.000 0.499 320 N N -0.795 117.605 118.700 -0.501 0.000 2.456 320 N HA 0.386 5.126 4.740 0.000 0.000 0.296 320 N C -0.722 174.698 175.510 -0.151 0.000 1.102 320 N CA -0.630 52.254 53.050 -0.276 0.000 0.924 320 N CB 2.103 40.396 38.487 -0.323 0.000 1.186 320 N HN 0.348 nan 8.380 nan 0.000 0.492 321 L N 1.847 123.062 121.223 -0.014 0.000 2.276 321 L HA 0.413 4.753 4.340 0.000 0.000 0.286 321 L C -0.769 176.163 176.870 0.103 0.000 1.061 321 L CA -0.049 54.850 54.840 0.098 0.000 0.807 321 L CB 0.322 42.439 42.059 0.097 0.000 1.177 321 L HN 0.407 nan 8.230 nan 0.000 0.429 322 L N 6.566 127.812 121.223 0.039 0.000 2.283 322 L HA 0.372 4.712 4.340 0.000 0.000 0.281 322 L C -1.136 175.718 176.870 -0.027 0.000 1.033 322 L CA -0.778 53.993 54.840 -0.116 0.000 0.848 322 L CB 1.323 43.245 42.059 -0.229 0.000 1.226 322 L HN 0.597 nan 8.230 nan 0.000 0.429 323 L N 5.150 126.380 121.223 0.012 0.000 2.264 323 L HA 0.372 4.712 4.340 0.000 0.000 0.289 323 L C -0.123 176.762 176.870 0.026 0.000 1.044 323 L CA -0.004 54.876 54.840 0.067 0.000 0.807 323 L CB 1.353 43.542 42.059 0.218 0.000 1.192 323 L HN 0.529 nan 8.230 nan 0.000 0.425 324 N N 3.267 121.989 118.700 0.038 0.000 2.472 324 N HA 0.513 5.253 4.740 0.000 0.000 0.277 324 N C -1.030 174.436 175.510 -0.074 0.000 1.081 324 N CA -0.513 52.563 53.050 0.044 0.000 0.973 324 N CB 1.169 39.680 38.487 0.040 0.000 1.105 324 N HN 0.442 nan 8.380 nan 0.000 0.470 325 V N 0.744 120.614 119.914 -0.074 0.000 2.513 325 V HA 0.841 4.961 4.120 0.000 0.000 0.299 325 V C 0.498 176.548 176.094 -0.072 0.000 1.035 325 V CA -0.926 61.313 62.300 -0.102 0.000 0.889 325 V CB 1.300 33.037 31.823 -0.144 0.000 0.988 325 V HN 0.668 nan 8.190 nan 0.000 0.440 326 G N 4.693 113.474 108.800 -0.033 0.000 2.716 326 G HA2 0.678 4.638 3.960 0.000 0.000 0.333 326 G HA3 0.678 4.638 3.960 0.000 0.000 0.333 326 G C -2.742 172.190 174.900 0.054 0.000 1.168 326 G CA -1.505 43.636 45.100 0.068 0.000 1.064 326 G HN 0.653 nan 8.290 nan 0.000 0.479 327 P HA 0.242 nan 4.420 nan 0.000 0.274 327 P C 0.160 177.460 177.300 -0.001 0.000 1.256 327 P CA -0.420 62.588 63.100 -0.153 0.000 0.795 327 P CB 1.217 32.665 31.700 -0.420 0.000 1.038 328 K N -0.217 120.134 120.400 -0.081 0.000 2.098 328 K HA 0.317 4.637 4.320 0.000 0.000 0.244 328 K C 1.869 178.673 176.600 0.339 0.000 1.014 328 K CA -0.225 56.011 56.287 -0.086 0.000 0.917 328 K CB 0.013 32.350 32.500 -0.272 0.000 1.072 328 K HN 0.501 nan 8.250 nan 0.000 0.477 329 G N 1.318 110.294 108.800 0.295 0.000 2.469 329 G HA2 -0.291 3.670 3.960 0.000 0.000 0.220 329 G HA3 -0.291 3.670 3.960 0.000 0.000 0.220 329 G C 0.938 176.114 174.900 0.460 0.000 1.136 329 G CA 1.422 46.773 45.100 0.418 0.000 0.759 329 G HN 0.839 nan 8.290 nan 0.000 0.562 330 D N -0.450 120.128 120.400 0.295 0.000 2.363 330 D HA 0.194 4.834 4.640 0.000 0.000 0.226 330 D C 1.708 178.195 176.300 0.311 0.000 1.020 330 D CA 0.876 55.019 54.000 0.238 0.000 0.892 330 D CB -0.612 40.275 40.800 0.145 0.000 0.900 330 D HN 0.627 nan 8.370 nan 0.000 0.531 331 G N -0.068 108.986 108.800 0.423 0.000 2.141 331 G HA2 -0.225 3.735 3.960 0.000 0.000 0.231 331 G HA3 -0.225 3.735 3.960 0.000 0.000 0.231 331 G C 0.320 175.447 174.900 0.377 0.000 0.984 331 G CA 0.361 45.669 45.100 0.348 0.000 0.660 331 G HN 0.762 nan 8.290 nan 0.000 0.525 332 T N -0.679 114.022 114.554 0.244 0.000 2.875 332 T HA 0.729 5.079 4.350 0.000 0.000 0.284 332 T C 0.350 175.095 174.700 0.075 0.000 0.995 332 T CA -0.785 61.433 62.100 0.197 0.000 1.060 332 T CB 2.308 71.231 68.868 0.091 0.000 0.967 332 T HN 0.403 nan 8.240 nan 0.000 0.476 333 I N 3.894 124.485 120.570 0.035 0.000 2.342 333 I HA 0.303 4.473 4.170 0.000 0.000 0.291 333 I C -1.967 174.115 176.117 -0.058 0.000 1.010 333 I CA -2.451 58.790 61.300 -0.099 0.000 1.308 333 I CB 0.960 38.839 38.000 -0.201 0.000 1.400 333 I HN 0.462 nan 8.210 nan 0.000 0.488 334 P HA 0.038 nan 4.420 nan 0.000 0.268 334 P C 0.048 177.344 177.300 -0.008 0.000 1.208 334 P CA -0.136 62.950 63.100 -0.024 0.000 0.777 334 P CB 0.624 32.335 31.700 0.018 0.000 0.875 335 D N 0.750 121.152 120.400 0.003 0.000 2.133 335 D HA -0.169 4.471 4.640 0.000 0.000 0.192 335 D C 1.870 178.172 176.300 0.003 0.000 1.001 335 D CA 1.401 55.404 54.000 0.004 0.000 0.844 335 D CB -0.420 40.385 40.800 0.010 0.000 0.944 335 D HN 0.313 nan 8.370 nan 0.000 0.447 336 L N 0.170 121.397 121.223 0.008 0.000 2.043 336 L HA -0.200 4.140 4.340 0.000 0.000 0.212 336 L C 1.485 178.352 176.870 -0.004 0.000 1.075 336 L CA 1.229 56.070 54.840 0.003 0.000 0.752 336 L CB -0.352 41.711 42.059 0.006 0.000 0.891 336 L HN 0.147 nan 8.230 nan 0.000 0.432 340 R N 1.009 121.512 120.500 0.006 0.000 2.090 340 R HA 0.195 4.535 4.340 0.000 0.000 0.228 340 R C 2.424 178.739 176.300 0.024 0.000 1.110 340 R CA 1.438 57.536 56.100 -0.003 0.000 0.973 340 R CB -0.060 30.226 30.300 -0.023 0.000 0.869 340 R HN 0.208 nan 8.270 nan 0.000 0.440 341 L N 0.430 121.687 121.223 0.057 0.000 2.083 341 L HA -0.198 4.142 4.340 0.000 0.000 0.209 341 L C 2.151 179.097 176.870 0.126 0.000 1.083 341 L CA 1.241 56.154 54.840 0.122 0.000 0.752 341 L CB -0.374 41.777 42.059 0.152 0.000 0.899 341 L HN 0.216 nan 8.230 nan 0.000 0.433 342 L N -0.743 120.532 121.223 0.087 0.000 2.093 342 L HA -0.089 4.251 4.340 0.000 0.000 0.208 342 L C 2.670 179.590 176.870 0.084 0.000 1.085 342 L CA 1.195 56.085 54.840 0.084 0.000 0.755 342 L CB -1.025 41.067 42.059 0.055 0.000 0.904 342 L HN 0.281 nan 8.230 nan 0.000 0.435 343 G N -0.110 108.726 108.800 0.061 0.000 2.418 343 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 343 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 343 G C 1.648 176.601 174.900 0.088 0.000 1.158 343 G CA 0.423 45.558 45.100 0.059 0.000 0.771 343 G HN 0.215 nan 8.290 nan 0.000 0.545 344 L N 0.570 121.830 121.223 0.061 0.000 2.046 344 L HA -0.024 4.316 4.340 0.000 0.000 0.208 344 L C 3.020 179.998 176.870 0.180 0.000 1.077 344 L CA 1.462 56.336 54.840 0.057 0.000 0.747 344 L CB -0.555 41.478 42.059 -0.044 0.000 0.896 344 L HN 0.347 nan 8.230 nan 0.000 0.432 345 G N -0.944 107.970 108.800 0.189 0.000 2.432 345 G HA2 -0.326 3.635 3.960 0.000 0.000 0.219 345 G HA3 -0.326 3.635 3.960 0.000 0.000 0.219 345 G C 1.384 176.392 174.900 0.180 0.000 1.135 345 G CA 0.868 46.097 45.100 0.215 0.000 0.767 345 G HN 0.373 nan 8.290 nan 0.000 0.550 346 E N -0.138 120.157 120.200 0.159 0.000 2.072 346 E HA -0.116 4.234 4.350 0.000 0.000 0.190 346 E C 1.995 178.690 176.600 0.159 0.000 0.982 346 E CA 0.907 57.384 56.400 0.128 0.000 0.803 346 E CB -0.571 29.195 29.700 0.110 0.000 0.755 346 E HN 0.531 nan 8.360 nan 0.000 0.453 347 W N 0.524 121.860 121.300 0.061 0.000 2.358 347 W HA -0.104 4.556 4.660 -0.000 0.000 0.303 347 W C 1.674 178.265 176.519 0.120 0.000 1.208 347 W CA 1.610 59.024 57.345 0.115 0.000 1.274 347 W CB -0.194 29.301 29.460 0.059 0.000 1.138 347 W HN 0.125 nan 8.180 nan 0.000 0.515 348 L N 0.372 121.744 121.223 0.248 0.000 2.156 348 L HA -0.127 4.213 4.340 0.000 0.000 0.208 348 L C 2.786 179.666 176.870 0.017 0.000 1.095 348 L CA 1.385 56.280 54.840 0.093 0.000 0.770 348 L CB -0.778 41.429 42.059 0.246 0.000 0.914 348 L HN -0.018 nan 8.230 nan 0.000 0.439 349 R N 0.456 120.981 120.500 0.040 0.000 2.096 349 R HA -0.189 4.151 4.340 0.000 0.000 0.235 349 R C 2.170 178.405 176.300 -0.109 0.000 1.127 349 R CA 1.468 57.572 56.100 0.007 0.000 0.968 349 R CB 0.047 30.358 30.300 0.018 0.000 0.861 349 R HN 0.275 nan 8.270 nan 0.000 0.440 350 K N -0.922 119.330 120.400 -0.247 0.000 2.044 350 K HA -0.090 4.230 4.320 0.000 0.000 0.204 350 K C 0.852 177.096 176.600 -0.594 0.000 1.049 350 K CA 1.202 57.203 56.287 -0.476 0.000 0.945 350 K CB 0.159 32.245 32.500 -0.690 0.000 0.724 350 K HN 0.208 nan 8.250 nan 0.000 0.440 351 Y N -0.705 119.258 120.300 -0.561 0.000 2.584 351 Y HA 0.210 4.760 4.550 0.000 0.000 0.254 351 Y C 1.629 177.129 175.900 -0.668 0.000 1.177 351 Y CA -0.350 57.316 58.100 -0.724 0.000 1.216 351 Y CB 0.501 38.110 38.460 -1.418 0.000 1.172 351 Y HN 0.105 nan 8.280 nan 0.000 0.529 352 G N 0.001 108.627 108.800 -0.290 0.000 2.450 352 G HA2 -0.323 3.637 3.960 0.000 0.000 0.220 352 G HA3 -0.323 3.637 3.960 0.000 0.000 0.220 352 G C 1.339 176.143 174.900 -0.160 0.000 1.130 352 G CA 1.307 46.271 45.100 -0.227 0.000 0.760 352 G HN 0.356 nan 8.290 nan 0.000 0.557 353 D N 0.591 120.944 120.400 -0.078 0.000 2.218 353 D HA 0.055 4.695 4.640 0.000 0.000 0.204 353 D C 2.479 178.446 176.300 -0.556 0.000 0.976 353 D CA 1.072 55.020 54.000 -0.087 0.000 0.853 353 D CB -0.198 40.688 40.800 0.143 0.000 0.939 353 D HN 0.262 nan 8.370 nan 0.000 0.481 354 A N -0.578 121.678 122.820 -0.940 0.000 2.238 354 A HA 0.121 4.441 4.320 0.000 0.000 0.208 354 A C 1.596 178.775 177.584 -0.674 0.000 1.177 354 A CA 0.297 51.454 52.037 -1.466 0.000 0.804 354 A CB -0.056 18.140 19.000 -1.339 0.000 0.823 354 A HN 0.239 nan 8.150 nan 0.000 0.482 355 I N -2.551 117.743 120.570 -0.461 0.000 3.623 355 I HA 0.136 4.306 4.170 0.000 0.000 0.253 355 I C 0.273 176.264 176.117 -0.211 0.000 1.144 355 I CA -0.031 61.074 61.300 -0.325 0.000 1.461 355 I CB -1.323 36.430 38.000 -0.413 0.000 1.575 355 I HN 0.244 nan 8.210 nan 0.000 0.445 356 Y N 2.074 122.352 120.300 -0.037 0.000 2.712 356 Y HA 0.290 4.840 4.550 0.000 0.000 0.333 356 Y C 1.665 177.573 175.900 0.014 0.000 1.225 356 Y CA 0.852 58.958 58.100 0.009 0.000 1.499 356 Y CB 0.019 38.498 38.460 0.032 0.000 1.288 356 Y HN 0.515 nan 8.280 nan 0.000 0.575 357 G N 1.405 110.323 108.800 0.196 0.000 2.155 357 G HA2 -0.321 3.639 3.960 0.000 0.000 0.257 357 G HA3 -0.321 3.639 3.960 0.000 0.000 0.257 357 G C 0.160 175.132 174.900 0.120 0.000 0.983 357 G CA 0.345 45.529 45.100 0.140 0.000 0.676 357 G HN 0.889 nan 8.290 nan 0.000 0.528 358 T N -1.670 112.946 114.554 0.102 0.000 2.874 358 T HA 0.742 5.092 4.350 0.000 0.000 0.281 358 T C 0.365 175.128 174.700 0.106 0.000 0.994 358 T CA 0.321 62.494 62.100 0.122 0.000 1.015 358 T CB 2.120 71.054 68.868 0.110 0.000 1.028 358 T HN 0.523 nan 8.240 nan 0.000 0.523 359 S N -0.076 115.702 115.700 0.130 0.000 2.677 359 S HA 0.665 5.135 4.470 0.000 0.000 0.304 359 S C 0.214 174.902 174.600 0.147 0.000 1.108 359 S CA -0.841 57.429 58.200 0.117 0.000 0.944 359 S CB 1.469 64.734 63.200 0.109 0.000 1.127 359 S HN 1.048 nan 8.310 nan 0.000 0.511 360 V N 0.179 120.173 119.914 0.134 0.000 2.843 360 V HA 0.372 4.492 4.120 0.000 0.000 0.305 360 V C 0.080 176.300 176.094 0.211 0.000 1.065 360 V CA -0.403 61.993 62.300 0.160 0.000 1.116 360 V CB 0.006 31.896 31.823 0.113 0.000 0.968 360 V HN 0.878 nan 8.190 nan 0.000 0.487 361 W N 3.410 124.732 121.300 0.038 0.000 1.971 361 W HA 0.442 5.102 4.660 0.001 0.000 0.476 361 W C 1.665 178.151 176.519 -0.054 0.000 1.983 361 W CA 0.210 57.542 57.345 -0.021 0.000 2.229 361 W CB 0.893 30.320 29.460 -0.056 0.000 1.624 361 W HN 0.834 nan 8.180 nan 0.000 0.751 362 E N 1.180 120.690 120.200 -1.149 0.000 2.347 362 E HA -0.063 4.287 4.350 0.000 0.000 0.196 362 E C 0.323 176.606 176.600 -0.528 0.000 1.008 362 E CA 1.167 57.062 56.400 -0.841 0.000 0.852 362 E CB -0.150 28.940 29.700 -1.017 0.000 0.783 362 E HN 0.297 nan 8.360 nan 0.000 0.505 363 R N -0.724 119.528 120.500 -0.413 0.000 2.764 363 R HA 0.348 4.688 4.340 0.000 0.000 0.270 363 R C 0.743 177.150 176.300 0.178 0.000 1.014 363 R CA -0.164 55.876 56.100 -0.101 0.000 0.904 363 R CB 0.206 30.436 30.300 -0.118 0.000 1.236 363 R HN 0.142 nan 8.270 nan 0.000 0.466 364 C N -1.191 118.221 119.300 0.187 0.000 2.492 364 C HA 0.453 4.913 4.460 0.000 0.000 0.279 364 C C 0.656 175.850 174.990 0.340 0.000 1.335 364 C CA 0.059 59.223 59.018 0.244 0.000 1.734 364 C CB -0.817 26.996 27.740 0.123 0.000 2.027 364 C HN 0.578 nan 8.230 nan 0.000 0.496 365 C N 0.776 120.263 119.300 0.312 0.000 2.898 365 C HA 0.926 5.386 4.460 0.000 0.000 0.304 365 C C 0.258 175.396 174.990 0.247 0.000 1.237 365 C CA 0.275 59.393 59.018 0.168 0.000 1.529 365 C CB 0.979 28.745 27.740 0.044 0.000 2.021 365 C HN 0.953 nan 8.230 nan 0.000 0.474 366 A N 1.410 124.267 122.820 0.061 0.000 2.515 366 A HA 0.987 5.307 4.320 0.000 0.000 0.299 366 A C -1.987 175.549 177.584 -0.080 0.000 1.179 366 A CA -0.680 51.393 52.037 0.060 0.000 0.656 366 A CB 1.412 20.538 19.000 0.209 0.000 1.306 366 A HN 0.895 nan 8.150 nan 0.000 0.459 367 K N -0.078 120.293 120.400 -0.050 0.000 2.527 367 K HA 0.642 4.962 4.320 0.000 0.000 0.260 367 K C -0.515 176.071 176.600 -0.022 0.000 0.937 367 K CA -0.319 55.929 56.287 -0.066 0.000 0.826 367 K CB 1.679 34.156 32.500 -0.039 0.000 1.359 367 K HN 0.930 nan 8.250 nan 0.000 0.434 368 T N -2.289 112.264 114.554 -0.001 0.000 2.788 368 T HA 0.045 4.395 4.350 0.000 0.000 0.287 368 T C 1.127 175.852 174.700 0.042 0.000 1.007 368 T CA -0.346 61.789 62.100 0.060 0.000 1.005 368 T CB 1.276 70.222 68.868 0.129 0.000 1.012 368 T HN 0.795 nan 8.240 nan 0.000 0.530 369 E N 0.377 120.608 120.200 0.051 0.000 2.160 369 E HA -0.213 4.137 4.350 0.000 0.000 0.195 369 E C 1.325 177.943 176.600 0.030 0.000 0.991 369 E CA 1.491 57.914 56.400 0.038 0.000 0.810 369 E CB -0.094 29.631 29.700 0.041 0.000 0.742 369 E HN 0.841 nan 8.360 nan 0.000 0.466 370 D N -1.444 118.977 120.400 0.035 0.000 2.325 370 D HA 0.019 4.660 4.640 0.000 0.000 0.225 370 D C 1.063 177.374 176.300 0.019 0.000 1.096 370 D CA 0.785 54.801 54.000 0.026 0.000 0.844 370 D CB 0.436 41.253 40.800 0.029 0.000 0.925 370 D HN 0.304 nan 8.370 nan 0.000 0.513 371 G N -0.020 108.788 108.800 0.014 0.000 2.175 371 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 371 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 371 G C 0.353 175.243 174.900 -0.017 0.000 0.982 371 G CA 0.258 45.356 45.100 -0.003 0.000 0.641 371 G HN 0.428 nan 8.290 nan 0.000 0.527 372 T N 2.404 116.959 114.554 0.001 0.000 2.851 372 T HA 0.432 4.782 4.350 0.000 0.000 0.298 372 T C 0.347 174.999 174.700 -0.080 0.000 0.977 372 T CA -0.063 62.030 62.100 -0.012 0.000 1.126 372 T CB 1.336 70.256 68.868 0.086 0.000 0.916 372 T HN 0.273 nan 8.240 nan 0.000 0.529 373 E N 2.472 122.577 120.200 -0.157 0.000 2.366 373 E HA 0.359 4.709 4.350 0.000 0.000 0.266 373 E C -0.118 176.276 176.600 -0.343 0.000 1.051 373 E CA -0.100 56.166 56.400 -0.223 0.000 0.884 373 E CB 1.290 30.848 29.700 -0.236 0.000 1.006 373 E HN 0.506 nan 8.360 nan 0.000 0.417 374 I N 2.211 122.530 120.570 -0.419 0.000 2.689 374 I HA 0.372 4.542 4.170 0.000 0.000 0.299 374 I C -0.006 175.756 176.117 -0.593 0.000 1.059 374 I CA -0.854 60.041 61.300 -0.675 0.000 1.055 374 I CB 1.638 39.099 38.000 -0.898 0.000 1.243 374 I HN 0.083 nan 8.210 nan 0.000 0.425 375 R N 4.129 124.233 120.500 -0.662 0.000 2.795 375 R HA 0.640 4.980 4.340 0.000 0.000 0.275 375 R C -1.648 174.293 176.300 -0.598 0.000 0.981 375 R CA -0.872 54.948 56.100 -0.467 0.000 0.917 375 R CB 2.138 32.296 30.300 -0.236 0.000 1.202 375 R HN 0.362 nan 8.270 nan 0.000 0.469 376 F N -0.198 119.746 119.950 -0.010 0.000 2.532 376 F HA 0.554 5.081 4.527 0.000 0.000 0.321 376 F C 0.812 176.663 175.800 0.084 0.000 1.089 376 F CA -0.534 57.478 58.000 0.020 0.000 0.926 376 F CB 2.378 41.451 39.000 0.121 0.000 1.168 376 F HN 0.501 nan 8.300 nan 0.000 0.459 377 T N -0.436 114.291 114.554 0.289 0.000 2.838 377 T HA 0.708 5.058 4.350 0.000 0.000 0.292 377 T C -1.188 173.689 174.700 0.294 0.000 1.113 377 T CA -1.081 61.184 62.100 0.275 0.000 1.008 377 T CB 2.553 71.539 68.868 0.196 0.000 1.259 377 T HN 0.764 nan 8.240 nan 0.000 0.520 378 R N 0.052 120.724 120.500 0.287 0.000 2.651 378 R HA 0.616 4.956 4.340 0.000 0.000 0.278 378 R C -1.910 174.534 176.300 0.240 0.000 1.010 378 R CA -0.783 55.437 56.100 0.201 0.000 0.896 378 R CB 1.930 32.365 30.300 0.225 0.000 1.211 378 R HN 0.787 nan 8.270 nan 0.000 0.456 379 K N 3.659 124.174 120.400 0.192 0.000 2.690 379 K HA 0.321 4.641 4.320 0.000 0.000 0.243 379 K C -0.266 176.395 176.600 0.102 0.000 0.982 379 K CA -0.378 56.032 56.287 0.205 0.000 0.955 379 K CB 0.503 33.226 32.500 0.371 0.000 1.185 379 K HN 0.884 nan 8.250 nan 0.000 0.467 380 C N 1.629 120.983 119.300 0.090 0.000 1.976 380 C HA -0.361 4.099 4.460 0.000 0.000 0.111 380 C C 1.690 176.701 174.990 0.035 0.000 0.830 380 C CA 1.457 60.512 59.018 0.061 0.000 0.873 380 C CB -1.813 25.961 27.740 0.057 0.000 3.215 380 C HN 1.025 nan 8.230 nan 0.000 1.057 381 N N 1.663 120.367 118.700 0.007 0.000 2.415 381 N HA 0.127 4.867 4.740 0.000 0.000 0.176 381 N C 0.353 175.806 175.510 -0.094 0.000 1.042 381 N CA 0.493 53.531 53.050 -0.020 0.000 0.902 381 N CB -0.179 38.301 38.487 -0.012 0.000 0.986 381 N HN 0.687 nan 8.380 nan 0.000 0.447 382 R N 0.564 120.971 120.500 -0.155 0.000 2.438 382 R HA 0.397 4.737 4.340 0.000 0.000 0.287 382 R C -0.497 175.496 176.300 -0.512 0.000 1.077 382 R CA -0.116 55.764 56.100 -0.366 0.000 1.034 382 R CB 0.953 30.962 30.300 -0.484 0.000 0.993 382 R HN 0.135 nan 8.270 nan 0.000 0.459 383 I N 3.738 123.949 120.570 -0.598 0.000 2.410 383 I HA 0.248 4.418 4.170 0.000 0.000 0.286 383 I C -0.722 175.046 176.117 -0.583 0.000 1.009 383 I CA -0.504 60.441 61.300 -0.591 0.000 1.111 383 I CB 1.020 38.573 38.000 -0.745 0.000 1.262 383 I HN 0.392 nan 8.210 nan 0.000 0.443 384 F N 5.748 125.625 119.950 -0.121 0.000 2.410 384 F HA 0.398 4.926 4.527 0.000 0.000 0.348 384 F C 0.266 175.991 175.800 -0.125 0.000 1.106 384 F CA -0.723 57.202 58.000 -0.124 0.000 1.163 384 F CB 1.097 39.995 39.000 -0.170 0.000 1.129 384 F HN 0.031 nan 8.300 nan 0.000 0.516 385 V N 5.739 125.666 119.914 0.020 0.000 2.326 385 V HA 0.358 4.478 4.120 0.000 0.000 0.281 385 V C -0.116 175.912 176.094 -0.110 0.000 1.015 385 V CA -0.613 61.600 62.300 -0.145 0.000 0.823 385 V CB 1.028 32.803 31.823 -0.080 0.000 1.009 385 V HN 0.544 nan 8.190 nan 0.000 0.436 386 I N 5.324 125.733 120.570 -0.267 0.000 2.354 386 I HA 0.432 4.602 4.170 0.000 0.000 0.286 386 I C -0.613 175.364 176.117 -0.233 0.000 1.007 386 I CA -0.259 60.952 61.300 -0.148 0.000 1.167 386 I CB 1.141 39.059 38.000 -0.138 0.000 1.320 386 I HN 0.351 nan 8.210 nan 0.000 0.458 387 F N 6.197 126.026 119.950 -0.203 0.000 2.410 387 F HA 0.235 4.762 4.527 0.000 0.000 0.348 387 F C 0.275 175.931 175.800 -0.241 0.000 1.106 387 F CA -0.625 57.251 58.000 -0.206 0.000 1.163 387 F CB 0.822 39.743 39.000 -0.130 0.000 1.129 387 F HN 0.232 nan 8.300 nan 0.000 0.516 388 L N 4.061 125.128 121.223 -0.260 0.000 2.391 388 L HA 0.465 4.805 4.340 0.000 0.000 0.249 388 L C 0.555 177.127 176.870 -0.496 0.000 1.308 388 L CA -0.263 54.175 54.840 -0.671 0.000 1.209 388 L CB -1.324 40.157 42.059 -0.964 0.000 1.401 388 L HN 0.761 nan 8.230 nan 0.000 0.416 389 G N 1.499 110.263 108.800 -0.059 0.000 2.339 389 G HA2 0.102 4.062 3.960 0.000 0.000 0.381 389 G HA3 0.102 4.062 3.960 0.000 0.000 0.381 389 G C -1.274 173.679 174.900 0.088 0.000 1.400 389 G CA -1.039 44.111 45.100 0.083 0.000 1.002 389 G HN 0.073 nan 8.290 nan 0.000 0.633 390 I N 2.062 122.668 120.570 0.061 0.000 2.354 390 I HA 0.317 4.487 4.170 0.000 0.000 0.286 390 I C -1.967 174.137 176.117 -0.023 0.000 1.007 390 I CA -1.841 59.462 61.300 0.004 0.000 1.167 390 I CB 1.994 40.014 38.000 0.033 0.000 1.320 390 I HN 0.207 nan 8.210 nan 0.000 0.458 391 P HA 0.077 nan 4.420 nan 0.000 0.269 391 P C 0.862 178.133 177.300 -0.048 0.000 1.209 391 P CA -0.182 62.882 63.100 -0.060 0.000 0.776 391 P CB 0.563 32.193 31.700 -0.117 0.000 0.876 392 T N -1.646 112.895 114.554 -0.022 0.000 3.067 392 T HA 0.212 4.562 4.350 0.000 0.000 0.257 392 T C 0.923 175.612 174.700 -0.019 0.000 1.105 392 T CA 0.186 62.277 62.100 -0.015 0.000 1.104 392 T CB -0.304 68.562 68.868 -0.003 0.000 0.925 392 T HN 0.479 nan 8.240 nan 0.000 0.498 393 G N 0.054 108.840 108.800 -0.023 0.000 2.432 393 G HA2 0.499 4.459 3.960 0.000 0.000 0.331 393 G HA3 0.499 4.459 3.960 0.000 0.000 0.331 393 G C 0.149 175.032 174.900 -0.028 0.000 1.170 393 G CA -0.677 44.412 45.100 -0.018 0.000 0.943 393 G HN 0.186 nan 8.290 nan 0.000 0.483 394 E N -0.131 120.057 120.200 -0.021 0.000 2.072 394 E HA -0.069 4.281 4.350 0.000 0.000 0.191 394 E C 0.542 177.137 176.600 -0.009 0.000 0.985 394 E CA 0.710 57.097 56.400 -0.022 0.000 0.801 394 E CB 0.109 29.800 29.700 -0.015 0.000 0.750 394 E HN 0.226 nan 8.360 nan 0.000 0.452 395 K N 1.451 121.853 120.400 0.004 0.000 2.310 395 K HA 0.207 4.527 4.320 0.000 0.000 0.290 395 K C -0.900 175.717 176.600 0.028 0.000 1.077 395 K CA 0.192 56.492 56.287 0.021 0.000 0.922 395 K CB 0.212 32.725 32.500 0.022 0.000 1.057 395 K HN -0.038 nan 8.250 nan 0.000 0.479 396 I N 4.158 124.755 120.570 0.045 0.000 2.433 396 I HA 0.293 4.463 4.170 0.000 0.000 0.292 396 I C -0.815 175.365 176.117 0.104 0.000 1.001 396 I CA -1.270 60.073 61.300 0.072 0.000 1.119 396 I CB 2.028 40.069 38.000 0.070 0.000 1.289 396 I HN 0.149 nan 8.210 nan 0.000 0.438 397 V N 7.232 127.209 119.914 0.105 0.000 2.350 397 V HA 0.404 4.525 4.120 0.000 0.000 0.285 397 V C 0.114 176.275 176.094 0.111 0.000 1.014 397 V CA -0.469 61.892 62.300 0.101 0.000 0.831 397 V CB 1.483 33.350 31.823 0.073 0.000 1.000 397 V HN 0.476 nan 8.190 nan 0.000 0.433 398 I N 4.400 125.044 120.570 0.123 0.000 2.371 398 I HA 0.293 4.463 4.170 0.000 0.000 0.290 398 I C 0.496 176.665 176.117 0.087 0.000 1.028 398 I CA -0.405 60.957 61.300 0.103 0.000 1.345 398 I CB 0.881 38.949 38.000 0.114 0.000 1.407 398 I HN 0.516 nan 8.210 nan 0.000 0.501 399 E N 5.863 126.103 120.200 0.067 0.000 2.316 399 E HA 0.047 4.398 4.350 0.000 0.000 0.275 399 E C -0.201 176.438 176.600 0.065 0.000 1.029 399 E CA 0.032 56.466 56.400 0.057 0.000 0.871 399 E CB 0.600 30.324 29.700 0.040 0.000 1.022 399 E HN 0.518 nan 8.360 nan 0.000 0.418 400 D N 0.790 121.224 120.400 0.058 0.000 2.800 400 D HA -0.218 4.422 4.640 0.000 0.000 0.232 400 D C -0.456 175.883 176.300 0.065 0.000 1.137 400 D CA 0.632 54.662 54.000 0.051 0.000 0.718 400 D CB -1.243 39.579 40.800 0.037 0.000 1.084 400 D HN 0.181 nan 8.370 nan 0.000 0.432 401 L N 0.210 121.484 121.223 0.086 0.000 2.408 401 L HA 0.515 4.855 4.340 0.000 0.000 0.268 401 L C -0.870 176.063 176.870 0.106 0.000 0.986 401 L CA -0.403 54.501 54.840 0.107 0.000 0.820 401 L CB 1.969 44.120 42.059 0.154 0.000 1.303 401 L HN -0.022 nan 8.230 nan 0.000 0.411 402 N N 4.024 122.789 118.700 0.107 0.000 2.312 402 N HA 0.762 5.502 4.740 0.000 0.000 0.296 402 N C -1.712 173.875 175.510 0.128 0.000 1.193 402 N CA -0.821 52.300 53.050 0.119 0.000 0.773 402 N CB 2.150 40.697 38.487 0.099 0.000 1.435 402 N HN 0.432 nan 8.380 nan 0.000 0.484 403 L N 0.818 122.121 121.223 0.133 0.000 2.386 403 L HA 0.379 4.719 4.340 0.000 0.000 0.271 403 L C 0.506 177.468 176.870 0.154 0.000 0.993 403 L CA -0.452 54.444 54.840 0.094 0.000 0.819 403 L CB 2.124 44.140 42.059 -0.072 0.000 1.294 403 L HN 0.660 nan 8.230 nan 0.000 0.414 404 S N -0.255 115.518 115.700 0.122 0.000 2.539 404 S HA 0.132 4.602 4.470 0.000 0.000 0.221 404 S C 1.422 176.094 174.600 0.119 0.000 0.987 404 S CA 0.206 58.481 58.200 0.126 0.000 0.929 404 S CB 0.667 63.922 63.200 0.090 0.000 0.832 404 S HN 0.688 nan 8.310 nan 0.000 0.492 405 A N 2.119 124.991 122.820 0.087 0.000 1.908 405 A HA 0.359 4.679 4.320 0.000 0.000 0.218 405 A C 2.184 179.826 177.584 0.097 0.000 1.181 405 A CA 1.711 53.775 52.037 0.045 0.000 0.627 405 A CB -1.332 17.634 19.000 -0.058 0.000 0.818 405 A HN 1.506 nan 8.150 nan 0.000 0.445 406 G N -2.408 106.524 108.800 0.220 0.000 2.254 406 G HA2 -0.142 3.818 3.960 0.000 0.000 0.225 406 G HA3 -0.142 3.818 3.960 0.000 0.000 0.225 406 G C 0.587 175.648 174.900 0.269 0.000 1.003 406 G CA 1.027 46.270 45.100 0.239 0.000 0.622 406 G HN 1.920 nan 8.290 nan 0.000 0.507 407 T N -1.963 112.701 114.554 0.184 0.000 2.912 407 T HA 0.716 5.066 4.350 0.000 0.000 0.299 407 T C -0.914 173.781 174.700 -0.009 0.000 1.052 407 T CA -0.233 61.974 62.100 0.179 0.000 0.996 407 T CB 2.837 71.767 68.868 0.103 0.000 1.070 407 T HN 0.941 nan 8.240 nan 0.000 0.465 408 V N 3.719 123.614 119.914 -0.033 0.000 2.495 408 V HA 0.686 4.806 4.120 0.000 0.000 0.298 408 V C -0.110 175.994 176.094 0.018 0.000 1.031 408 V CA -0.888 61.323 62.300 -0.149 0.000 0.871 408 V CB 1.746 33.339 31.823 -0.384 0.000 0.988 408 V HN 0.909 nan 8.190 nan 0.000 0.432 409 R N 1.884 122.400 120.500 0.027 0.000 2.807 409 R HA 0.479 4.819 4.340 0.000 0.000 0.276 409 R C -0.641 175.742 176.300 0.138 0.000 0.979 409 R CA -0.909 55.242 56.100 0.085 0.000 0.928 409 R CB 2.018 32.356 30.300 0.064 0.000 1.191 409 R HN 0.805 nan 8.270 nan 0.000 0.471 410 H N 2.347 121.461 119.070 0.073 0.000 2.848 410 H HA -0.018 4.538 4.556 0.000 0.000 0.317 410 H C 0.301 175.717 175.328 0.146 0.000 1.046 410 H CA 0.264 56.376 56.048 0.107 0.000 1.470 410 H CB 0.649 30.450 29.762 0.066 0.000 1.483 410 H HN 0.632 nan 8.280 nan 0.000 0.548 411 F N 5.333 125.087 119.950 -0.328 0.000 2.075 411 F HA -0.225 4.302 4.527 0.000 0.000 0.297 411 F C 1.493 177.225 175.800 -0.114 0.000 1.113 411 F CA 0.843 58.772 58.000 -0.119 0.000 1.218 411 F CB -0.137 38.862 39.000 -0.000 0.000 0.984 411 F HN 0.472 nan 8.300 nan 0.000 0.472 412 L N 0.866 121.835 121.223 -0.424 0.000 2.042 412 L HA -0.199 4.141 4.340 0.000 0.000 0.210 412 L C 2.672 179.377 176.870 -0.276 0.000 1.076 412 L CA 2.580 57.172 54.840 -0.412 0.000 0.749 412 L CB -1.561 40.453 42.059 -0.076 0.000 0.893 412 L HN 0.544 nan 8.230 nan 0.000 0.432 413 T N -5.301 109.222 114.554 -0.051 0.000 3.037 413 T HA 0.292 4.642 4.350 0.000 0.000 0.251 413 T C 1.461 176.136 174.700 -0.041 0.000 1.079 413 T CA 0.454 62.542 62.100 -0.020 0.000 1.067 413 T CB 0.128 69.039 68.868 0.072 0.000 0.948 413 T HN 0.408 nan 8.240 nan 0.000 0.496 414 G N 1.692 110.462 108.800 -0.049 0.000 2.168 414 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 414 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 414 G C -0.174 174.749 174.900 0.038 0.000 0.997 414 G CA 0.376 45.468 45.100 -0.014 0.000 0.708 414 G HN 0.855 nan 8.290 nan 0.000 0.520 415 E N 0.215 120.462 120.200 0.079 0.000 2.324 415 E HA 0.335 4.685 4.350 0.000 0.000 0.271 415 E C 0.938 177.588 176.600 0.084 0.000 1.028 415 E CA -0.750 55.691 56.400 0.070 0.000 0.890 415 E CB 0.332 30.067 29.700 0.060 0.000 1.004 415 E HN 0.419 nan 8.360 nan 0.000 0.431 416 R N 4.426 124.965 120.500 0.066 0.000 2.537 416 R HA 0.187 4.527 4.340 0.000 0.000 0.280 416 R C -0.648 175.706 176.300 0.090 0.000 1.058 416 R CA -0.082 56.066 56.100 0.081 0.000 1.057 416 R CB 0.383 30.726 30.300 0.071 0.000 0.973 416 R HN 0.513 nan 8.270 nan 0.000 0.438 417 L N 2.047 123.344 121.223 0.123 0.000 2.330 417 L HA 0.341 4.681 4.340 0.000 0.000 0.271 417 L C 0.083 177.062 176.870 0.182 0.000 1.013 417 L CA -0.863 54.056 54.840 0.131 0.000 0.816 417 L CB 1.953 44.094 42.059 0.136 0.000 1.287 417 L HN 0.602 nan 8.230 nan 0.000 0.435 418 S N 1.733 117.515 115.700 0.137 0.000 2.499 418 S HA 0.543 5.013 4.470 0.000 0.000 0.275 418 S C -0.688 174.037 174.600 0.208 0.000 1.257 418 S CA -0.430 57.840 58.200 0.117 0.000 1.050 418 S CB -0.118 63.111 63.200 0.048 0.000 0.937 418 S HN 0.396 nan 8.310 nan 0.000 0.490 419 F N 2.408 122.376 119.950 0.029 0.000 2.664 419 F HA 0.838 5.365 4.527 -0.000 0.000 0.317 419 F C -0.978 174.841 175.800 0.031 0.000 1.108 419 F CA -1.180 56.841 58.000 0.036 0.000 0.957 419 F CB 1.467 40.494 39.000 0.045 0.000 1.365 419 F HN 0.531 nan 8.300 nan 0.000 0.475 420 K N 1.730 122.132 120.400 0.004 0.000 2.561 420 K HA 0.298 4.618 4.320 0.000 0.000 0.254 420 K C -1.802 174.874 176.600 0.127 0.000 0.942 420 K CA -0.771 55.459 56.287 -0.096 0.000 0.818 420 K CB 1.376 33.833 32.500 -0.073 0.000 1.306 420 K HN 0.795 nan 8.250 nan 0.000 0.435 421 N N 2.327 121.098 118.700 0.119 0.000 2.452 421 N HA 0.106 4.846 4.740 0.000 0.000 0.266 421 N C -0.935 174.615 175.510 0.067 0.000 1.175 421 N CA 0.005 53.131 53.050 0.126 0.000 0.945 421 N CB 1.283 39.842 38.487 0.119 0.000 1.063 421 N HN 0.180 nan 8.380 nan 0.000 0.472 422 V N 2.014 121.969 119.914 0.069 0.000 2.325 422 V HA 0.439 4.559 4.120 0.000 0.000 0.280 422 V C 1.113 177.234 176.094 0.045 0.000 1.016 422 V CA -0.222 62.106 62.300 0.046 0.000 0.818 422 V CB 0.545 32.395 31.823 0.044 0.000 1.019 422 V HN 0.981 nan 8.190 nan 0.000 0.434 423 G N 5.539 114.361 108.800 0.036 0.000 2.651 423 G HA2 -0.361 3.599 3.960 0.000 0.000 0.315 423 G HA3 -0.361 3.599 3.960 0.000 0.000 0.315 423 G C 1.000 175.924 174.900 0.040 0.000 1.258 423 G CA 0.881 46.001 45.100 0.033 0.000 1.002 423 G HN 0.934 nan 8.290 nan 0.000 0.551 424 K N 1.080 121.502 120.400 0.038 0.000 2.418 424 K HA 0.113 4.433 4.320 0.000 0.000 0.195 424 K C 0.597 177.229 176.600 0.054 0.000 1.035 424 K CA 0.925 57.236 56.287 0.040 0.000 1.003 424 K CB -0.020 32.498 32.500 0.030 0.000 0.793 424 K HN 0.404 nan 8.250 nan 0.000 0.494 425 N N 1.020 119.757 118.700 0.061 0.000 2.518 425 N HA 0.308 5.048 4.740 0.000 0.000 0.284 425 N C -1.352 174.217 175.510 0.099 0.000 1.230 425 N CA -0.729 52.366 53.050 0.076 0.000 0.941 425 N CB 1.353 39.881 38.487 0.067 0.000 1.219 425 N HN 0.039 nan 8.380 nan 0.000 0.560 426 L N 0.471 121.764 121.223 0.117 0.000 2.372 426 L HA 0.380 4.720 4.340 0.000 0.000 0.274 426 L C -0.715 176.249 176.870 0.155 0.000 0.988 426 L CA -0.291 54.642 54.840 0.154 0.000 0.833 426 L CB 0.965 43.115 42.059 0.152 0.000 1.236 426 L HN 0.422 nan 8.230 nan 0.000 0.410 427 E N 6.477 126.777 120.200 0.166 0.000 2.156 427 E HA 0.568 4.918 4.350 0.000 0.000 0.279 427 E C -1.072 175.642 176.600 0.189 0.000 0.965 427 E CA -0.432 56.054 56.400 0.144 0.000 0.789 427 E CB 2.162 31.922 29.700 0.100 0.000 1.098 427 E HN 0.518 nan 8.360 nan 0.000 0.397 428 I N 1.445 122.113 120.570 0.163 0.000 2.582 428 I HA 0.239 4.409 4.170 0.000 0.000 0.292 428 I C -0.392 175.788 176.117 0.105 0.000 1.066 428 I CA -0.802 60.602 61.300 0.172 0.000 1.053 428 I CB 2.439 40.538 38.000 0.165 0.000 1.241 428 I HN 0.301 nan 8.210 nan 0.000 0.421 429 T N 4.985 119.596 114.554 0.094 0.000 2.743 429 T HA 0.422 4.772 4.350 0.000 0.000 0.292 429 T C -0.233 174.490 174.700 0.037 0.000 0.972 429 T CA -0.436 61.695 62.100 0.051 0.000 0.967 429 T CB 1.161 70.054 68.868 0.042 0.000 0.926 429 T HN 0.220 nan 8.240 nan 0.000 0.459 430 V N 6.846 126.762 119.914 0.002 0.000 2.328 430 V HA 0.314 4.434 4.120 0.000 0.000 0.278 430 V C -2.219 173.845 176.094 -0.049 0.000 1.021 430 V CA -2.400 59.885 62.300 -0.026 0.000 0.838 430 V CB 0.837 32.627 31.823 -0.055 0.000 0.999 430 V HN 0.646 nan 8.190 nan 0.000 0.447 431 P HA 0.035 nan 4.420 nan 0.000 0.265 431 P C 0.850 178.104 177.300 -0.076 0.000 1.187 431 P CA 0.018 63.084 63.100 -0.056 0.000 0.766 431 P CB 0.786 32.452 31.700 -0.056 0.000 0.820 432 K N 3.062 123.429 120.400 -0.055 0.000 2.147 432 K HA -0.221 4.099 4.320 0.000 0.000 0.205 432 K C 1.700 178.264 176.600 -0.060 0.000 1.049 432 K CA 1.637 57.893 56.287 -0.051 0.000 0.936 432 K CB -0.079 32.401 32.500 -0.033 0.000 0.722 432 K HN 0.180 nan 8.250 nan 0.000 0.446 433 K N 0.770 121.132 120.400 -0.063 0.000 2.113 433 K HA -0.103 4.217 4.320 0.000 0.000 0.208 433 K C 1.975 178.511 176.600 -0.105 0.000 1.047 433 K CA 1.231 57.478 56.287 -0.066 0.000 0.928 433 K CB -0.017 32.449 32.500 -0.057 0.000 0.716 433 K HN 0.146 nan 8.250 nan 0.000 0.446 434 L N -0.054 121.060 121.223 -0.181 0.000 2.131 434 L HA -0.091 4.249 4.340 0.000 0.000 0.206 434 L C 2.169 178.863 176.870 -0.294 0.000 1.087 434 L CA 0.642 55.253 54.840 -0.382 0.000 0.767 434 L CB -0.344 41.350 42.059 -0.608 0.000 0.917 434 L HN 0.175 nan 8.230 nan 0.000 0.441 435 L N -0.115 121.017 121.223 -0.152 0.000 2.079 435 L HA -0.224 4.116 4.340 0.000 0.000 0.210 435 L C 2.320 179.195 176.870 0.008 0.000 1.081 435 L CA 1.409 56.220 54.840 -0.048 0.000 0.752 435 L CB -0.402 41.624 42.059 -0.055 0.000 0.896 435 L HN 0.310 nan 8.230 nan 0.000 0.433 436 E N -0.871 119.322 120.200 -0.011 0.000 2.418 436 E HA -0.135 4.216 4.350 0.000 0.000 0.197 436 E C 1.924 178.550 176.600 0.042 0.000 1.026 436 E CA 1.273 57.683 56.400 0.016 0.000 0.862 436 E CB 0.046 29.746 29.700 -0.000 0.000 0.799 436 E HN 0.594 nan 8.360 nan 0.000 0.518 437 T N -1.544 113.041 114.554 0.051 0.000 3.067 437 T HA -0.017 4.333 4.350 0.000 0.000 0.261 437 T C 0.695 175.499 174.700 0.174 0.000 1.110 437 T CA -0.005 62.152 62.100 0.094 0.000 1.113 437 T CB 0.169 69.093 68.868 0.093 0.000 0.917 437 T HN -0.164 nan 8.240 nan 0.000 0.499 438 D N 2.114 122.653 120.400 0.231 0.000 2.313 438 D HA 0.364 5.004 4.640 0.000 0.000 0.247 438 D C -0.547 175.919 176.300 0.278 0.000 1.094 438 D CA 0.114 54.314 54.000 0.332 0.000 0.925 438 D CB 1.668 42.670 40.800 0.337 0.000 1.188 438 D HN 0.308 nan 8.370 nan 0.000 0.430 439 S N 1.729 117.667 115.700 0.397 0.000 2.596 439 S HA 0.438 4.908 4.470 0.000 0.000 0.318 439 S C 1.044 175.879 174.600 0.392 0.000 1.097 439 S CA -0.525 57.880 58.200 0.342 0.000 1.080 439 S CB -0.138 63.261 63.200 0.331 0.000 0.991 439 S HN 0.574 nan 8.310 nan 0.000 0.471 440 I N 1.643 122.354 120.570 0.235 0.000 4.300 440 I HA -0.283 3.887 4.170 0.000 0.000 0.079 440 I C 0.463 176.693 176.117 0.188 0.000 0.562 440 I CA 1.591 62.988 61.300 0.161 0.000 1.126 440 I CB -1.976 36.052 38.000 0.046 0.000 1.002 440 I HN 0.727 nan 8.210 nan 0.000 0.174 441 T N 0.440 115.104 114.554 0.183 0.000 2.841 441 T HA 0.671 5.021 4.350 0.000 0.000 0.285 441 T C -0.716 173.996 174.700 0.021 0.000 0.991 441 T CA -0.741 61.414 62.100 0.092 0.000 0.966 441 T CB 2.466 71.371 68.868 0.063 0.000 0.962 441 T HN 0.300 nan 8.240 nan 0.000 0.438 442 L N 4.118 125.376 121.223 0.058 0.000 2.410 442 L HA 0.584 4.924 4.340 0.000 0.000 0.273 442 L C -0.833 176.096 176.870 0.098 0.000 1.144 442 L CA 0.113 54.962 54.840 0.015 0.000 0.863 442 L CB 0.328 42.207 42.059 -0.300 0.000 1.140 442 L HN 0.643 nan 8.230 nan 0.000 0.463 443 V N 6.576 126.533 119.914 0.071 0.000 2.487 443 V HA 0.493 4.613 4.120 0.000 0.000 0.298 443 V C -0.117 176.042 176.094 0.108 0.000 1.028 443 V CA -0.628 61.712 62.300 0.067 0.000 0.860 443 V CB 1.425 33.200 31.823 -0.081 0.000 0.991 443 V HN 0.625 nan 8.190 nan 0.000 0.427 444 L N 3.018 124.339 121.223 0.164 0.000 2.299 444 L HA 0.746 5.086 4.340 0.000 0.000 0.268 444 L C -0.065 176.877 176.870 0.120 0.000 1.012 444 L CA -0.567 54.362 54.840 0.149 0.000 0.816 444 L CB 1.382 43.541 42.059 0.167 0.000 1.355 444 L HN 0.792 nan 8.230 nan 0.000 0.457 445 E N 0.029 120.258 120.200 0.048 0.000 2.428 445 E HA 0.570 4.920 4.350 0.000 0.000 0.307 445 E C -1.826 174.693 176.600 -0.135 0.000 0.902 445 E CA -0.482 55.890 56.400 -0.048 0.000 0.799 445 E CB 1.480 31.248 29.700 0.113 0.000 1.351 445 E HN 0.677 nan 8.360 nan 0.000 0.392 446 A N 3.754 126.427 122.820 -0.244 0.000 2.260 446 A HA 0.535 4.855 4.320 0.000 0.000 0.308 446 A C -0.454 176.996 177.584 -0.222 0.000 1.254 446 A CA -0.492 51.396 52.037 -0.248 0.000 0.874 446 A CB 0.823 19.632 19.000 -0.318 0.000 1.153 446 A HN 0.299 nan 8.150 nan 0.000 0.527 447 V N 4.365 124.196 119.914 -0.137 0.000 2.350 447 V HA 0.353 4.473 4.120 0.000 0.000 0.276 447 V C 0.381 176.442 176.094 -0.054 0.000 1.028 447 V CA -0.416 61.827 62.300 -0.095 0.000 0.860 447 V CB 0.662 32.454 31.823 -0.052 0.000 0.990 447 V HN 1.066 nan 8.190 nan 0.000 0.453 448 E N 0.000 120.172 120.200 -0.046 0.000 2.725 448 E HA 0.000 4.350 4.350 0.000 0.000 0.291 448 E CA 0.000 56.393 56.400 -0.012 0.000 0.976 448 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440